NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400415 |
1uph   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uph
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 720
_Distance_constraint_stats_list.Viol_count 888
_Distance_constraint_stats_list.Viol_total 541.036
_Distance_constraint_stats_list.Viol_max 0.947
_Distance_constraint_stats_list.Viol_rms 0.0217
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0305
_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 1 MYR 0.065 0.013 14 0 "[ . 1 . 2]"
1 4 ARG 0.001 0.001 1 0 "[ . 1 . 2]"
1 5 ALA 0.235 0.064 17 0 "[ . 1 . 2]"
1 6 SER 0.528 0.101 19 0 "[ . 1 . 2]"
1 7 VAL 0.270 0.050 11 0 "[ . 1 . 2]"
1 8 LEU 0.236 0.074 17 0 "[ . 1 . 2]"
1 9 SER 0.832 0.158 18 0 "[ . 1 . 2]"
1 10 GLY 1.090 0.158 18 0 "[ . 1 . 2]"
1 11 GLY 0.333 0.046 16 0 "[ . 1 . 2]"
1 12 GLU 0.062 0.046 16 0 "[ . 1 . 2]"
1 13 LEU 0.817 0.302 1 0 "[ . 1 . 2]"
1 14 ASP 0.678 0.302 1 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TRP 4.985 0.455 18 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 0.567 0.061 13 0 "[ . 1 . 2]"
1 20 ARG 0.002 0.002 4 0 "[ . 1 . 2]"
1 21 LEU 0.379 0.078 13 0 "[ . 1 . 2]"
1 22 ARG 0.928 0.082 8 0 "[ . 1 . 2]"
1 23 PRO 2.341 0.947 7 1 "[ . + 1 . 2]"
1 24 GLY 0.135 0.027 13 0 "[ . 1 . 2]"
1 25 GLY 1.020 0.086 17 0 "[ . 1 . 2]"
1 26 LYS 1.162 0.086 17 0 "[ . 1 . 2]"
1 27 LYS 0.481 0.078 13 0 "[ . 1 . 2]"
1 28 GLN 0.019 0.004 17 0 "[ . 1 . 2]"
1 29 TYR 0.566 0.061 13 0 "[ . 1 . 2]"
1 30 LYS 0.007 0.006 17 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.175 0.025 13 0 "[ . 1 . 2]"
1 33 HIS 0.019 0.006 17 0 "[ . 1 . 2]"
1 34 ILE 4.716 0.455 18 0 "[ . 1 . 2]"
1 35 VAL 0.098 0.014 19 0 "[ . 1 . 2]"
1 36 TRP 0.070 0.009 8 0 "[ . 1 . 2]"
1 37 ALA 0.120 0.009 1 0 "[ . 1 . 2]"
1 38 SER 0.130 0.032 10 0 "[ . 1 . 2]"
1 39 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.025 0.005 8 0 "[ . 1 . 2]"
1 41 LEU 0.013 0.009 7 0 "[ . 1 . 2]"
1 42 GLU 0.052 0.011 19 0 "[ . 1 . 2]"
1 43 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 PHE 0.003 0.002 17 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.013 0.009 7 0 "[ . 1 . 2]"
1 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 PRO 0.205 0.076 18 0 "[ . 1 . 2]"
1 49 GLY 0.516 0.076 18 0 "[ . 1 . 2]"
1 50 LEU 2.432 0.195 2 0 "[ . 1 . 2]"
1 51 LEU 0.187 0.032 10 0 "[ . 1 . 2]"
1 52 GLU 0.354 0.101 19 0 "[ . 1 . 2]"
1 53 THR 0.253 0.039 7 0 "[ . 1 . 2]"
1 54 SER 0.415 0.042 19 0 "[ . 1 . 2]"
1 55 GLU 0.243 0.039 7 0 "[ . 1 . 2]"
1 56 GLY 0.021 0.020 19 0 "[ . 1 . 2]"
1 57 CYS 0.055 0.040 5 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ILE 0.191 0.026 7 0 "[ . 1 . 2]"
1 61 LEU 4.494 0.724 15 2 "[ . -1 + 2]"
1 62 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 4.434 0.724 15 2 "[ . -1 + 2]"
1 65 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 SER 0.243 0.102 20 0 "[ . 1 . 2]"
1 68 LEU 0.663 0.281 20 0 "[ . 1 . 2]"
1 69 GLN 0.120 0.098 16 0 "[ . 1 . 2]"
1 70 THR 0.146 0.098 16 0 "[ . 1 . 2]"
1 71 GLY 0.236 0.034 12 0 "[ . 1 . 2]"
1 72 SER 0.355 0.034 12 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.183 0.015 17 0 "[ . 1 . 2]"
1 75 LEU 0.209 0.031 20 0 "[ . 1 . 2]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.788 0.383 1 0 "[ . 1 . 2]"
1 78 LEU 0.551 0.383 1 0 "[ . 1 . 2]"
1 79 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.253 0.241 5 0 "[ . 1 . 2]"
1 81 THR 0.179 0.018 11 0 "[ . 1 . 2]"
1 82 ILE 0.164 0.018 11 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.039 0.008 4 0 "[ . 1 . 2]"
1 85 LEU 0.001 0.001 7 0 "[ . 1 . 2]"
1 86 TYR 0.057 0.040 5 0 "[ . 1 . 2]"
1 87 CYS 1.314 0.555 20 1 "[ . 1 . +]"
1 88 VAL 0.681 0.133 19 0 "[ . 1 . 2]"
1 89 HIS 1.111 0.133 19 0 "[ . 1 . 2]"
1 90 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ARG 0.025 0.012 15 0 "[ . 1 . 2]"
1 92 ILE 0.583 0.317 15 0 "[ . 1 . 2]"
1 93 ASP 0.004 0.003 7 0 "[ . 1 . 2]"
1 94 VAL 0.793 0.555 20 1 "[ . 1 . +]"
1 95 LYS 0.014 0.012 4 0 "[ . 1 . 2]"
1 96 ASP 1.557 0.947 7 1 "[ . + 1 . 2]"
1 97 THR 0.051 0.014 8 0 "[ . 1 . 2]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 GLU 1.087 0.506 2 1 "[ + . 1 . 2]"
1 100 ALA 0.200 0.125 10 0 "[ . 1 . 2]"
1 101 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 ASP 1.087 0.506 2 1 "[ + . 1 . 2]"
1 103 LYS 0.125 0.125 10 0 "[ . 1 . 2]"
1 104 ILE 0.049 0.013 17 0 "[ . 1 . 2]"
1 105 GLU 0.002 0.001 16 0 "[ . 1 . 2]"
1 106 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 GLN 0.002 0.001 16 0 "[ . 1 . 2]"
1 109 ASN 0.001 0.001 20 0 "[ . 1 . 2]"
1 110 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 LYS 0.002 0.001 20 0 "[ . 1 . 2]"
1 113 LYS 0.004 0.001 8 0 "[ . 1 . 2]"
1 114 LYS 0.004 0.001 8 0 "[ . 1 . 2]"
1 115 ALA 0.008 0.002 8 0 "[ . 1 . 2]"
1 116 GLN 0.007 0.002 8 0 "[ . 1 . 2]"
1 117 GLN 0.005 0.003 12 0 "[ . 1 . 2]"
1 118 ALA 0.564 0.496 12 0 "[ . 1 . 2]"
1 119 ALA 0.043 0.025 6 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ASP 0.555 0.496 12 0 "[ . 1 . 2]"
1 122 THR 0.038 0.025 6 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 10 GLY H 1 11 GLY H . . 2.900 2.895 2.739 2.945 0.045 18 0 "[ . 1 . 2]" 1
2 1 11 GLY H 1 12 GLU H . . 2.900 2.741 2.517 2.946 0.046 16 0 "[ . 1 . 2]" 1
3 1 12 GLU H 1 13 LEU H . . 2.900 2.657 2.537 2.701 . 0 0 "[ . 1 . 2]" 1
4 1 13 LEU H 1 14 ASP H . . 2.900 2.534 2.442 2.712 . 0 0 "[ . 1 . 2]" 1
5 1 14 ASP H 1 15 LYS H . . 2.900 2.697 2.607 2.805 . 0 0 "[ . 1 . 2]" 1
6 1 15 LYS H 1 16 TRP H . . 2.900 2.472 2.334 2.690 . 0 0 "[ . 1 . 2]" 1
7 1 16 TRP H 1 17 GLU H . . 2.900 2.601 2.372 2.682 . 0 0 "[ . 1 . 2]" 1
8 1 17 GLU H 1 18 LYS H . . 3.300 2.961 2.583 3.193 . 0 0 "[ . 1 . 2]" 1
9 1 18 LYS H 1 19 ILE H . . 3.300 1.886 1.857 1.900 . 0 0 "[ . 1 . 2]" 1
10 1 10 GLY H 1 12 GLU H . . 5.000 4.125 3.910 4.267 . 0 0 "[ . 1 . 2]" 1
11 1 11 GLY H 1 13 LEU H . . 5.000 4.008 3.873 4.151 . 0 0 "[ . 1 . 2]" 1
12 1 12 GLU H 1 14 ASP H . . 5.000 4.217 3.946 4.325 . 0 0 "[ . 1 . 2]" 1
13 1 13 LEU H 1 15 LYS H . . 5.000 3.993 3.781 4.180 . 0 0 "[ . 1 . 2]" 1
14 1 14 ASP H 1 16 TRP H . . 5.000 3.943 3.742 4.095 . 0 0 "[ . 1 . 2]" 1
15 1 15 LYS H 1 17 GLU H . . 5.000 3.872 3.632 4.185 . 0 0 "[ . 1 . 2]" 1
16 1 13 LEU H 1 16 TRP H . . 5.000 4.363 4.266 4.549 . 0 0 "[ . 1 . 2]" 1
17 1 14 ASP H 1 17 GLU H . . 5.000 4.661 4.473 4.792 . 0 0 "[ . 1 . 2]" 1
18 1 9 SER HA 1 10 GLY H . . 2.700 2.737 2.615 2.858 0.158 18 0 "[ . 1 . 2]" 1
19 1 10 GLY HA2 1 11 GLY H . . 2.700 2.687 2.623 2.733 0.033 17 0 "[ . 1 . 2]" 1
20 1 10 GLY HA3 1 13 LEU H . . 5.000 3.590 3.183 3.951 . 0 0 "[ . 1 . 2]" 1
21 1 11 GLY QA 1 14 ASP H . . 5.000 3.232 3.118 3.549 . 0 0 "[ . 1 . 2]" 1
22 1 12 GLU HA 1 15 LYS H . . 5.000 3.426 3.223 3.518 . 0 0 "[ . 1 . 2]" 1
23 1 13 LEU HA 1 16 TRP H . . 5.000 3.145 2.989 3.514 . 0 0 "[ . 1 . 2]" 1
24 1 14 ASP HA 1 17 GLU H . . 5.000 3.535 3.030 3.705 . 0 0 "[ . 1 . 2]" 1
25 1 10 GLY HA3 1 13 LEU HB3 . . 5.000 3.604 2.954 4.245 . 0 0 "[ . 1 . 2]" 1
26 1 11 GLY HA2 1 14 ASP QB . . 5.000 4.050 3.754 4.629 . 0 0 "[ . 1 . 2]" 1
27 1 12 GLU HA 1 15 LYS QB . . 3.300 2.803 2.425 3.086 . 0 0 "[ . 1 . 2]" 1
28 1 13 LEU HA 1 16 TRP HB3 . . 3.300 2.015 1.960 2.529 . 0 0 "[ . 1 . 2]" 1
29 1 13 LEU HA 1 16 TRP HB2 . . 5.000 3.483 3.207 4.035 . 0 0 "[ . 1 . 2]" 1
30 1 19 ILE HA 1 20 ARG H . . 2.700 2.222 2.179 2.304 . 0 0 "[ . 1 . 2]" 1
31 1 20 ARG HA 1 21 LEU H . . 2.700 2.372 2.286 2.443 . 0 0 "[ . 1 . 2]" 1
32 1 21 LEU H 1 22 ARG H . . 2.700 2.393 2.125 2.572 . 0 0 "[ . 1 . 2]" 1
33 1 22 ARG HA 1 23 PRO HD2 . . 2.700 2.739 2.719 2.782 0.082 8 0 "[ . 1 . 2]" 1
34 1 22 ARG HA 1 23 PRO HD3 . . 2.700 2.029 2.019 2.052 . 0 0 "[ . 1 . 2]" 1
35 1 23 PRO HB2 1 24 GLY H . . 3.300 3.287 3.151 3.327 0.027 13 0 "[ . 1 . 2]" 1
36 1 23 PRO HD2 1 24 GLY H . . 5.000 2.257 2.253 2.281 . 0 0 "[ . 1 . 2]" 1
37 1 24 GLY H 1 25 GLY H . . 2.700 2.337 2.151 2.591 . 0 0 "[ . 1 . 2]" 1
38 1 25 GLY HA2 1 26 LYS H . . 2.700 2.641 2.486 2.786 0.086 17 0 "[ . 1 . 2]" 1
39 1 25 GLY HA3 1 26 LYS H . . 2.700 2.606 2.465 2.765 0.065 13 0 "[ . 1 . 2]" 1
40 1 26 LYS H 1 27 LYS H . . 2.700 2.706 2.702 2.716 0.016 13 0 "[ . 1 . 2]" 1
41 1 27 LYS HA 1 28 GLN H . . 2.700 2.480 2.217 2.702 0.002 5 0 "[ . 1 . 2]" 1
42 1 28 GLN HA 1 29 TYR H . . 2.700 2.579 2.258 2.702 0.002 14 0 "[ . 1 . 2]" 1
43 1 29 TYR HA 1 30 LYS H . . 2.700 2.453 2.284 2.628 . 0 0 "[ . 1 . 2]" 1
44 1 20 ARG HA 1 28 GLN HA . . 2.700 2.022 1.973 2.455 . 0 0 "[ . 1 . 2]" 1
45 1 20 ARG HA 1 29 TYR H . . 5.000 3.917 3.810 4.009 . 0 0 "[ . 1 . 2]" 1
46 1 21 LEU H 1 28 GLN HA . . 5.000 2.894 2.442 3.870 . 0 0 "[ . 1 . 2]" 1
47 1 22 ARG H 1 26 LYS H . . 5.000 4.849 4.679 5.007 0.007 11 0 "[ . 1 . 2]" 1
48 1 19 ILE H 1 29 TYR H . . 3.300 3.321 3.304 3.361 0.061 13 0 "[ . 1 . 2]" 1
49 1 21 LEU H 1 27 LYS H . . 3.300 3.251 3.045 3.378 0.078 13 0 "[ . 1 . 2]" 1
50 1 22 ARG H 1 27 LYS H . . 3.300 3.282 3.143 3.321 0.021 4 0 "[ . 1 . 2]" 1
51 1 19 ILE H 1 28 GLN QB . . 5.000 3.425 3.040 3.899 . 0 0 "[ . 1 . 2]" 1
52 1 20 ARG QB 1 22 ARG H . . 3.300 2.822 2.600 3.067 . 0 0 "[ . 1 . 2]" 1
53 1 20 ARG QD 1 25 GLY H . . 5.000 4.130 3.325 5.002 0.002 4 0 "[ . 1 . 2]" 1
54 1 22 ARG QB 1 24 GLY H . . 5.000 2.683 2.519 2.918 . 0 0 "[ . 1 . 2]" 1
55 1 22 ARG QB 1 25 GLY H . . 5.000 2.171 1.903 2.533 . 0 0 "[ . 1 . 2]" 1
56 1 23 PRO HA 1 96 ASP HB3 . . 3.300 3.371 3.302 4.247 0.947 7 1 "[ . + 1 . 2]" 1
57 1 31 LEU H 1 32 LYS H . . 2.900 2.686 2.656 2.704 . 0 0 "[ . 1 . 2]" 1
58 1 32 LYS H 1 33 HIS H . . 2.900 2.623 2.565 2.674 . 0 0 "[ . 1 . 2]" 1
59 1 33 HIS H 1 34 ILE H . . 2.900 2.507 2.499 2.525 . 0 0 "[ . 1 . 2]" 1
60 1 34 ILE H 1 35 VAL H . . 2.900 2.590 2.532 2.675 . 0 0 "[ . 1 . 2]" 1
61 1 35 VAL H 1 36 TRP H . . 2.900 2.546 2.468 2.624 . 0 0 "[ . 1 . 2]" 1
62 1 36 TRP H 1 37 ALA H . . 2.900 2.648 2.559 2.662 . 0 0 "[ . 1 . 2]" 1
63 1 37 ALA H 1 38 SER H . . 2.900 2.673 2.577 2.789 . 0 0 "[ . 1 . 2]" 1
64 1 38 SER H 1 39 ARG H . . 2.900 2.723 2.607 2.798 . 0 0 "[ . 1 . 2]" 1
65 1 39 ARG H 1 40 GLU H . . 2.900 2.672 2.573 2.688 . 0 0 "[ . 1 . 2]" 1
66 1 40 GLU H 1 41 LEU H . . 2.900 2.682 2.543 2.823 . 0 0 "[ . 1 . 2]" 1
67 1 41 LEU H 1 42 GLU H . . 2.900 2.755 2.695 2.798 . 0 0 "[ . 1 . 2]" 1
68 1 42 GLU H 1 43 ARG H . . 2.900 2.688 2.579 2.793 . 0 0 "[ . 1 . 2]" 1
69 1 43 ARG H 1 44 PHE H . . 2.900 2.434 2.377 2.537 . 0 0 "[ . 1 . 2]" 1
70 1 44 PHE H 1 45 ALA H . . 2.900 2.558 2.413 2.717 . 0 0 "[ . 1 . 2]" 1
71 1 31 LEU H 1 33 HIS H . . 5.000 4.477 4.433 4.511 . 0 0 "[ . 1 . 2]" 1
72 1 32 LYS H 1 34 ILE H . . 5.000 3.830 3.778 3.877 . 0 0 "[ . 1 . 2]" 1
73 1 33 HIS H 1 35 VAL H . . 5.000 4.023 3.916 4.174 . 0 0 "[ . 1 . 2]" 1
74 1 34 ILE H 1 36 TRP H . . 5.000 3.973 3.783 4.160 . 0 0 "[ . 1 . 2]" 1
75 1 35 VAL H 1 37 ALA H . . 5.000 4.113 3.750 4.222 . 0 0 "[ . 1 . 2]" 1
76 1 36 TRP H 1 38 SER H . . 5.000 3.966 3.824 4.338 . 0 0 "[ . 1 . 2]" 1
77 1 37 ALA H 1 39 ARG H . . 5.000 4.131 3.872 4.329 . 0 0 "[ . 1 . 2]" 1
78 1 38 SER H 1 40 GLU H . . 5.000 4.182 4.122 4.301 . 0 0 "[ . 1 . 2]" 1
79 1 39 ARG H 1 41 LEU H . . 5.000 4.140 3.930 4.332 . 0 0 "[ . 1 . 2]" 1
80 1 40 GLU H 1 42 GLU H . . 5.000 4.283 4.100 4.367 . 0 0 "[ . 1 . 2]" 1
81 1 41 LEU H 1 43 ARG H . . 5.000 3.928 3.805 4.096 . 0 0 "[ . 1 . 2]" 1
82 1 42 GLU H 1 44 PHE H . . 5.000 3.922 3.849 4.008 . 0 0 "[ . 1 . 2]" 1
83 1 43 ARG H 1 45 ALA H . . 5.000 3.993 3.863 4.194 . 0 0 "[ . 1 . 2]" 1
84 1 44 PHE H 1 46 VAL H . . 5.000 3.460 3.136 3.678 . 0 0 "[ . 1 . 2]" 1
85 1 30 LYS H 1 33 HIS H . . 3.300 2.813 2.626 3.051 . 0 0 "[ . 1 . 2]" 1
86 1 31 LEU H 1 34 ILE H . . 5.000 4.720 4.683 4.764 . 0 0 "[ . 1 . 2]" 1
87 1 32 LYS H 1 35 VAL H . . 5.000 4.509 4.396 4.619 . 0 0 "[ . 1 . 2]" 1
88 1 35 VAL H 1 38 SER H . . 5.000 4.485 4.374 4.652 . 0 0 "[ . 1 . 2]" 1
89 1 36 TRP H 1 39 ARG H . . 5.000 4.599 4.454 4.756 . 0 0 "[ . 1 . 2]" 1
90 1 37 ALA H 1 40 GLU H . . 5.000 4.723 4.592 4.802 . 0 0 "[ . 1 . 2]" 1
91 1 38 SER H 1 41 LEU H . . 5.000 4.711 4.559 4.859 . 0 0 "[ . 1 . 2]" 1
92 1 40 GLU H 1 43 ARG H . . 5.000 4.593 4.465 4.670 . 0 0 "[ . 1 . 2]" 1
93 1 41 LEU H 1 44 PHE H . . 5.000 4.516 4.438 4.603 . 0 0 "[ . 1 . 2]" 1
94 1 30 LYS HA 1 31 LEU H . . 2.700 2.633 2.577 2.698 . 0 0 "[ . 1 . 2]" 1
95 1 43 ARG HA 1 45 ALA H . . 5.000 3.497 3.324 3.688 . 0 0 "[ . 1 . 2]" 1
96 1 31 LEU HA 1 34 ILE H . . 5.000 3.067 3.021 3.115 . 0 0 "[ . 1 . 2]" 1
97 1 32 LYS HA 1 35 VAL H . . 5.000 3.454 3.397 3.531 . 0 0 "[ . 1 . 2]" 1
98 1 33 HIS HA 1 36 TRP H . . 5.000 3.207 3.092 3.288 . 0 0 "[ . 1 . 2]" 1
99 1 34 ILE HA 1 37 ALA H . . 5.000 3.416 3.303 3.486 . 0 0 "[ . 1 . 2]" 1
100 1 35 VAL HA 1 38 SER H . . 5.000 3.281 3.188 3.425 . 0 0 "[ . 1 . 2]" 1
101 1 36 TRP HA 1 39 ARG H . . 5.000 3.421 3.284 3.620 . 0 0 "[ . 1 . 2]" 1
102 1 38 SER HA 1 41 LEU H . . 5.000 3.424 3.241 3.609 . 0 0 "[ . 1 . 2]" 1
103 1 40 GLU HA 1 43 ARG H . . 5.000 3.308 3.173 3.447 . 0 0 "[ . 1 . 2]" 1
104 1 41 LEU HA 1 44 PHE H . . 5.000 3.178 3.033 3.414 . 0 0 "[ . 1 . 2]" 1
105 1 42 GLU HA 1 45 ALA H . . 5.000 3.737 3.452 4.095 . 0 0 "[ . 1 . 2]" 1
106 1 32 LYS HA 1 36 TRP H . . 5.000 4.122 4.057 4.170 . 0 0 "[ . 1 . 2]" 1
107 1 33 HIS HA 1 37 ALA H . . 5.000 3.845 3.770 3.926 . 0 0 "[ . 1 . 2]" 1
108 1 31 LEU HA 1 34 ILE HB . . 3.300 2.066 1.998 2.129 . 0 0 "[ . 1 . 2]" 1
109 1 32 LYS HA 1 35 VAL HB . . 3.300 2.694 2.542 2.906 . 0 0 "[ . 1 . 2]" 1
110 1 33 HIS HA 1 36 TRP QB . . 3.300 2.336 2.073 2.523 . 0 0 "[ . 1 . 2]" 1
111 1 34 ILE HA 1 37 ALA MB . . 3.300 2.555 2.212 2.783 . 0 0 "[ . 1 . 2]" 1
112 1 35 VAL HA 1 38 SER QB . . 3.300 2.531 2.160 3.300 . 0 0 "[ . 1 . 2]" 1
113 1 36 TRP HA 1 39 ARG QB . . 3.300 2.693 2.442 3.070 . 0 0 "[ . 1 . 2]" 1
114 1 37 ALA HA 1 40 GLU HB2 . . 3.300 2.998 2.405 3.305 0.005 8 0 "[ . 1 . 2]" 1
115 1 37 ALA HA 1 40 GLU HB3 . . 3.300 3.134 2.562 3.304 0.004 15 0 "[ . 1 . 2]" 1
116 1 38 SER HA 1 41 LEU QB . . 3.300 2.552 2.219 2.852 . 0 0 "[ . 1 . 2]" 1
117 1 39 ARG HA 1 42 GLU QB . . 3.300 2.804 2.420 3.250 . 0 0 "[ . 1 . 2]" 1
118 1 40 GLU HA 1 43 ARG QB . . 3.300 2.449 2.105 2.785 . 0 0 "[ . 1 . 2]" 1
119 1 41 LEU HA 1 44 PHE HB2 . . 5.000 2.213 2.045 2.672 . 0 0 "[ . 1 . 2]" 1
120 1 45 ALA HA 1 46 VAL H . . 3.300 2.921 2.754 3.215 . 0 0 "[ . 1 . 2]" 1
121 1 46 VAL HA 1 47 ASN H . . 2.700 2.319 2.256 2.340 . 0 0 "[ . 1 . 2]" 1
122 1 46 VAL HB 1 47 ASN H . . 5.000 3.910 3.700 4.171 . 0 0 "[ . 1 . 2]" 1
123 1 46 VAL QG 1 47 ASN H . . 2.700 2.132 1.930 2.463 . 0 0 "[ . 1 . 2]" 1
124 1 47 ASN HA 1 48 PRO HD3 . . 2.700 1.976 1.970 1.988 . 0 0 "[ . 1 . 2]" 1
125 1 47 ASN HA 1 48 PRO HD2 . . 2.700 2.453 2.374 2.535 . 0 0 "[ . 1 . 2]" 1
126 1 49 GLY H 1 50 LEU H . . 2.700 2.685 2.597 2.765 0.065 18 0 "[ . 1 . 2]" 1
127 1 50 LEU H 1 51 LEU H . . 2.700 2.568 2.508 2.629 . 0 0 "[ . 1 . 2]" 1
128 1 51 LEU H 1 52 GLU H . . 2.700 2.466 2.343 2.573 . 0 0 "[ . 1 . 2]" 1
129 1 52 GLU H 1 53 THR H . . 2.700 2.534 2.440 2.558 . 0 0 "[ . 1 . 2]" 1
130 1 49 GLY H 1 51 LEU H . . 5.000 3.988 3.782 4.506 . 0 0 "[ . 1 . 2]" 1
131 1 50 LEU H 1 52 GLU H . . 5.000 4.081 3.812 4.196 . 0 0 "[ . 1 . 2]" 1
132 1 51 LEU H 1 53 THR H . . 5.000 4.283 4.151 4.452 . 0 0 "[ . 1 . 2]" 1
133 1 49 GLY QA 1 50 LEU H . . 3.300 2.856 2.773 2.954 . 0 0 "[ . 1 . 2]" 1
134 1 48 PRO HA 1 50 LEU H . . 5.000 3.985 3.370 4.343 . 0 0 "[ . 1 . 2]" 1
135 1 50 LEU HA 1 53 THR H . . 5.000 4.123 3.732 4.321 . 0 0 "[ . 1 . 2]" 1
136 1 48 PRO HA 1 51 LEU QB . . 5.000 2.999 2.213 4.303 . 0 0 "[ . 1 . 2]" 1
137 1 54 SER H 1 55 GLU H . . 2.900 2.706 2.698 2.721 . 0 0 "[ . 1 . 2]" 1
138 1 55 GLU H 1 56 GLY H . . 2.900 2.626 2.508 2.713 . 0 0 "[ . 1 . 2]" 1
139 1 56 GLY H 1 57 CYS H . . 2.900 2.722 2.607 2.798 . 0 0 "[ . 1 . 2]" 1
140 1 57 CYS H 1 58 ARG H . . 2.900 2.591 2.512 2.630 . 0 0 "[ . 1 . 2]" 1
141 1 58 ARG H 1 59 GLN H . . 2.900 2.647 2.568 2.720 . 0 0 "[ . 1 . 2]" 1
142 1 59 GLN H 1 60 ILE H . . 2.900 2.719 2.625 2.789 . 0 0 "[ . 1 . 2]" 1
143 1 60 ILE H 1 61 LEU H . . 2.900 2.732 2.621 2.771 . 0 0 "[ . 1 . 2]" 1
144 1 61 LEU H 1 62 GLY H . . 2.900 2.759 2.685 2.812 . 0 0 "[ . 1 . 2]" 1
145 1 62 GLY H 1 63 GLN H . . 2.900 2.526 2.469 2.647 . 0 0 "[ . 1 . 2]" 1
146 1 63 GLN H 1 64 LEU H . . 2.900 2.506 2.402 2.579 . 0 0 "[ . 1 . 2]" 1
147 1 64 LEU H 1 65 GLN H . . 2.900 2.198 2.048 2.249 . 0 0 "[ . 1 . 2]" 1
148 1 53 THR H 1 55 GLU H . . 5.000 5.007 4.896 5.039 0.039 7 0 "[ . 1 . 2]" 1
149 1 54 SER H 1 56 GLY H . . 5.000 4.401 4.170 4.496 . 0 0 "[ . 1 . 2]" 1
150 1 55 GLU H 1 57 CYS H . . 5.000 4.035 3.902 4.215 . 0 0 "[ . 1 . 2]" 1
151 1 56 GLY H 1 58 ARG H . . 5.000 4.090 3.891 4.226 . 0 0 "[ . 1 . 2]" 1
152 1 57 CYS H 1 59 GLN H . . 5.000 3.996 3.869 4.139 . 0 0 "[ . 1 . 2]" 1
153 1 58 ARG H 1 60 ILE H . . 5.000 4.313 4.139 4.396 . 0 0 "[ . 1 . 2]" 1
154 1 59 GLN H 1 61 LEU H . . 5.000 4.127 3.991 4.230 . 0 0 "[ . 1 . 2]" 1
155 1 60 ILE H 1 62 GLY H . . 5.000 4.116 3.923 4.313 . 0 0 "[ . 1 . 2]" 1
156 1 61 LEU H 1 63 GLN H . . 5.000 3.879 3.802 3.987 . 0 0 "[ . 1 . 2]" 1
157 1 62 GLY H 1 64 LEU H . . 5.000 4.191 3.967 4.310 . 0 0 "[ . 1 . 2]" 1
158 1 63 GLN H 1 65 GLN H . . 5.000 3.543 3.422 3.852 . 0 0 "[ . 1 . 2]" 1
159 1 53 THR H 1 56 GLY H . . 5.000 3.857 3.653 4.074 . 0 0 "[ . 1 . 2]" 1
160 1 53 THR H 1 57 CYS H . . 5.000 4.049 3.550 4.712 . 0 0 "[ . 1 . 2]" 1
161 1 53 THR HA 1 54 SER H . . 2.700 2.221 2.168 2.302 . 0 0 "[ . 1 . 2]" 1
162 1 53 THR HB 1 55 GLU H . . 3.300 3.035 2.939 3.161 . 0 0 "[ . 1 . 2]" 1
163 1 53 THR HB 1 56 GLY H . . 5.000 3.435 3.179 3.727 . 0 0 "[ . 1 . 2]" 1
164 1 54 SER HA 1 57 CYS H . . 5.000 3.474 3.394 3.582 . 0 0 "[ . 1 . 2]" 1
165 1 55 GLU HA 1 58 ARG H . . 5.000 3.371 3.292 3.496 . 0 0 "[ . 1 . 2]" 1
166 1 56 GLY HA3 1 59 GLN H . . 5.000 3.329 3.217 3.451 . 0 0 "[ . 1 . 2]" 1
167 1 57 CYS HA 1 60 ILE H . . 5.000 3.473 3.331 3.637 . 0 0 "[ . 1 . 2]" 1
168 1 58 ARG HA 1 61 LEU H . . 5.000 3.490 3.367 3.705 . 0 0 "[ . 1 . 2]" 1
169 1 59 GLN HA 1 62 GLY H . . 5.000 3.409 3.299 3.573 . 0 0 "[ . 1 . 2]" 1
170 1 60 ILE HA 1 63 GLN H . . 5.000 3.098 3.029 3.229 . 0 0 "[ . 1 . 2]" 1
171 1 61 LEU HA 1 64 LEU H . . 5.000 3.468 3.257 3.604 . 0 0 "[ . 1 . 2]" 1
172 1 62 GLY QA 1 65 GLN H . . 5.000 3.047 2.961 3.182 . 0 0 "[ . 1 . 2]" 1
173 1 58 ARG HA 1 62 GLY H . . 5.000 4.076 3.661 4.294 . 0 0 "[ . 1 . 2]" 1
174 1 55 GLU HA 1 58 ARG QB . . 3.300 2.589 2.263 2.844 . 0 0 "[ . 1 . 2]" 1
175 1 56 GLY HA3 1 59 GLN QB . . 3.300 2.511 2.137 2.806 . 0 0 "[ . 1 . 2]" 1
176 1 57 CYS HA 1 60 ILE HB . . 5.000 2.855 2.671 3.139 . 0 0 "[ . 1 . 2]" 1
177 1 58 ARG HA 1 61 LEU HB3 . . 5.000 3.034 2.500 3.525 . 0 0 "[ . 1 . 2]" 1
178 1 60 ILE HA 1 63 GLN QB . . 3.300 2.252 2.008 2.508 . 0 0 "[ . 1 . 2]" 1
179 1 61 LEU HA 1 64 LEU HB3 . . 5.000 5.149 4.217 5.724 0.724 15 2 "[ . -1 + 2]" 1
180 1 62 GLY QA 1 65 GLN HB3 . . 5.000 3.420 3.268 3.835 . 0 0 "[ . 1 . 2]" 1
181 1 67 SER H 1 68 LEU H . . 2.700 2.702 2.652 2.802 0.102 20 0 "[ . 1 . 2]" 1
182 1 68 LEU H 1 69 GLN H . . 2.700 2.543 2.457 2.659 . 0 0 "[ . 1 . 2]" 1
183 1 69 GLN H 1 70 THR H . . 3.300 3.152 3.002 3.398 0.098 16 0 "[ . 1 . 2]" 1
184 1 70 THR H 1 71 GLY H . . 3.300 2.611 2.200 2.980 . 0 0 "[ . 1 . 2]" 1
185 1 67 SER H 1 69 GLN H . . 5.000 4.372 3.914 4.541 . 0 0 "[ . 1 . 2]" 1
186 1 69 GLN H 1 71 GLY H . . 5.000 4.172 4.034 4.310 . 0 0 "[ . 1 . 2]" 1
187 1 66 PRO HD2 1 67 SER H . . 3.300 2.260 2.253 2.292 . 0 0 "[ . 1 . 2]" 1
188 1 71 GLY HA3 1 72 SER H . . 2.700 2.555 2.511 2.693 . 0 0 "[ . 1 . 2]" 1
189 1 71 GLY HA2 1 72 SER H . . 2.700 2.688 2.549 2.734 0.034 12 0 "[ . 1 . 2]" 1
190 1 65 GLN HA 1 67 SER H . . 5.000 4.562 4.285 4.756 . 0 0 "[ . 1 . 2]" 1
191 1 66 PRO HA 1 68 LEU H . . 5.000 3.509 3.344 4.286 . 0 0 "[ . 1 . 2]" 1
192 1 67 SER HA 1 69 GLN H . . 5.000 4.065 3.392 4.224 . 0 0 "[ . 1 . 2]" 1
193 1 69 GLN HA 1 71 GLY H . . 5.000 4.479 4.290 4.728 . 0 0 "[ . 1 . 2]" 1
194 1 67 SER HA 1 70 THR H . . 5.000 3.947 3.791 4.480 . 0 0 "[ . 1 . 2]" 1
195 1 64 LEU HA 1 67 SER H . . 5.000 2.758 2.695 2.909 . 0 0 "[ . 1 . 2]" 1
196 1 65 GLN HA 1 68 LEU H . . 5.000 3.975 3.827 4.062 . 0 0 "[ . 1 . 2]" 1
197 1 68 LEU HA 1 71 GLY H . . 5.000 2.897 2.527 3.222 . 0 0 "[ . 1 . 2]" 1
198 1 66 PRO HA 1 69 GLN QB . . 5.000 3.398 2.414 4.514 . 0 0 "[ . 1 . 2]" 1
199 1 73 GLU H 1 74 GLU H . . 2.900 2.737 2.692 2.779 . 0 0 "[ . 1 . 2]" 1
200 1 74 GLU H 1 75 LEU H . . 2.900 2.624 2.606 2.637 . 0 0 "[ . 1 . 2]" 1
201 1 75 LEU H 1 76 ARG H . . 2.900 2.688 2.631 2.750 . 0 0 "[ . 1 . 2]" 1
202 1 76 ARG H 1 77 SER H . . 2.900 2.740 2.639 2.785 . 0 0 "[ . 1 . 2]" 1
203 1 77 SER H 1 78 LEU H . . 2.900 2.743 2.715 2.819 . 0 0 "[ . 1 . 2]" 1
204 1 78 LEU H 1 79 TYR H . . 2.900 2.668 2.609 2.756 . 0 0 "[ . 1 . 2]" 1
205 1 79 TYR H 1 80 ASN H . . 2.900 2.781 2.744 2.803 . 0 0 "[ . 1 . 2]" 1
206 1 80 ASN H 1 81 THR H . . 2.900 2.667 2.609 2.726 . 0 0 "[ . 1 . 2]" 1
207 1 81 THR H 1 82 ILE H . . 2.900 2.710 2.682 2.743 . 0 0 "[ . 1 . 2]" 1
208 1 82 ILE H 1 83 ALA H . . 2.900 2.673 2.608 2.718 . 0 0 "[ . 1 . 2]" 1
209 1 83 ALA H 1 84 VAL H . . 2.900 2.766 2.681 2.793 . 0 0 "[ . 1 . 2]" 1
210 1 84 VAL H 1 85 LEU H . . 2.900 2.643 2.565 2.700 . 0 0 "[ . 1 . 2]" 1
211 1 85 LEU H 1 86 TYR H . . 2.900 2.681 2.524 2.756 . 0 0 "[ . 1 . 2]" 1
212 1 86 TYR H 1 87 CYS H . . 2.900 2.635 2.469 2.728 . 0 0 "[ . 1 . 2]" 1
213 1 87 CYS H 1 88 VAL H . . 2.900 2.657 2.566 2.700 . 0 0 "[ . 1 . 2]" 1
214 1 88 VAL H 1 89 HIS H . . 2.900 2.562 2.490 2.645 . 0 0 "[ . 1 . 2]" 1
215 1 89 HIS H 1 90 GLN H . . 2.900 2.639 2.436 2.869 . 0 0 "[ . 1 . 2]" 1
216 1 90 GLN H 1 91 ARG H . . 2.900 2.314 2.132 2.548 . 0 0 "[ . 1 . 2]" 1
217 1 91 ARG H 1 92 ILE H . . 2.900 2.698 2.472 2.905 0.005 13 0 "[ . 1 . 2]" 1
218 1 73 GLU H 1 75 LEU H . . 5.000 4.176 4.083 4.255 . 0 0 "[ . 1 . 2]" 1
219 1 74 GLU H 1 76 ARG H . . 5.000 4.024 3.911 4.099 . 0 0 "[ . 1 . 2]" 1
220 1 75 LEU H 1 77 SER H . . 5.000 4.316 4.199 4.399 . 0 0 "[ . 1 . 2]" 1
221 1 76 ARG H 1 78 LEU H . . 5.000 4.019 3.932 4.212 . 0 0 "[ . 1 . 2]" 1
222 1 77 SER H 1 79 TYR H . . 5.000 4.299 4.175 4.360 . 0 0 "[ . 1 . 2]" 1
223 1 78 LEU H 1 80 ASN H . . 5.000 4.109 4.041 4.173 . 0 0 "[ . 1 . 2]" 1
224 1 79 TYR H 1 81 THR H . . 5.000 4.233 4.163 4.340 . 0 0 "[ . 1 . 2]" 1
225 1 80 ASN H 1 82 ILE H . . 5.000 4.097 4.021 4.186 . 0 0 "[ . 1 . 2]" 1
226 1 81 THR H 1 83 ALA H . . 5.000 4.153 4.047 4.233 . 0 0 "[ . 1 . 2]" 1
227 1 83 ALA H 1 85 LEU H . . 5.000 4.000 3.839 4.123 . 0 0 "[ . 1 . 2]" 1
228 1 84 VAL H 1 86 TYR H . . 5.000 4.159 3.902 4.317 . 0 0 "[ . 1 . 2]" 1
229 1 85 LEU H 1 87 CYS H . . 5.000 4.105 3.946 4.262 . 0 0 "[ . 1 . 2]" 1
230 1 86 TYR H 1 88 VAL H . . 5.000 4.084 3.765 4.268 . 0 0 "[ . 1 . 2]" 1
231 1 87 CYS H 1 89 HIS H . . 5.000 4.007 3.828 4.172 . 0 0 "[ . 1 . 2]" 1
232 1 88 VAL H 1 90 GLN H . . 5.000 3.944 3.727 4.365 . 0 0 "[ . 1 . 2]" 1
233 1 89 HIS H 1 91 ARG H . . 5.000 3.763 3.606 3.876 . 0 0 "[ . 1 . 2]" 1
234 1 90 GLN H 1 92 ILE H . . 5.000 3.967 3.773 4.252 . 0 0 "[ . 1 . 2]" 1
235 1 72 SER H 1 75 LEU H . . 5.000 3.451 3.292 3.523 . 0 0 "[ . 1 . 2]" 1
236 1 73 GLU H 1 76 ARG H . . 5.000 4.660 4.610 4.735 . 0 0 "[ . 1 . 2]" 1
237 1 75 LEU H 1 78 LEU H . . 5.000 4.745 4.689 4.877 . 0 0 "[ . 1 . 2]" 1
238 1 76 ARG H 1 79 TYR H . . 5.000 4.705 4.617 4.741 . 0 0 "[ . 1 . 2]" 1
239 1 77 SER H 1 80 ASN H . . 5.000 4.806 4.657 4.864 . 0 0 "[ . 1 . 2]" 1
240 1 72 SER HA 1 73 GLU H . . 2.700 2.566 2.532 2.611 . 0 0 "[ . 1 . 2]" 1
241 1 72 SER HB2 1 73 GLU H . . 3.300 2.477 2.400 2.547 . 0 0 "[ . 1 . 2]" 1
242 1 72 SER HB2 1 74 GLU H . . 3.300 3.309 3.302 3.315 0.015 17 0 "[ . 1 . 2]" 1
243 1 72 SER HB3 1 75 LEU H . . 5.000 3.978 3.941 4.011 . 0 0 "[ . 1 . 2]" 1
244 1 72 SER HB2 1 75 LEU H . . 5.000 3.857 3.790 3.956 . 0 0 "[ . 1 . 2]" 1
245 1 73 GLU HA 1 76 ARG H . . 5.000 3.494 3.437 3.553 . 0 0 "[ . 1 . 2]" 1
246 1 74 GLU HA 1 77 SER H . . 5.000 3.347 3.246 3.394 . 0 0 "[ . 1 . 2]" 1
247 1 75 LEU HA 1 78 LEU H . . 5.000 3.415 3.384 3.537 . 0 0 "[ . 1 . 2]" 1
248 1 76 ARG HA 1 79 TYR H . . 5.000 3.308 3.243 3.377 . 0 0 "[ . 1 . 2]" 1
249 1 77 SER HA 1 80 ASN H . . 5.000 3.408 3.352 3.479 . 0 0 "[ . 1 . 2]" 1
250 1 78 LEU HA 1 81 THR H . . 5.000 3.337 3.257 3.402 . 0 0 "[ . 1 . 2]" 1
251 1 79 TYR HA 1 82 ILE H . . 5.000 3.383 3.295 3.454 . 0 0 "[ . 1 . 2]" 1
252 1 80 ASN HA 1 83 ALA H . . 5.000 3.414 3.336 3.487 . 0 0 "[ . 1 . 2]" 1
253 1 81 THR HA 1 84 VAL H . . 5.000 3.362 3.292 3.446 . 0 0 "[ . 1 . 2]" 1
254 1 82 ILE HA 1 85 LEU H . . 5.000 3.194 3.111 3.260 . 0 0 "[ . 1 . 2]" 1
255 1 83 ALA HA 1 86 TYR H . . 5.000 3.354 3.276 3.468 . 0 0 "[ . 1 . 2]" 1
256 1 84 VAL HA 1 87 CYS H . . 5.000 3.207 3.008 3.301 . 0 0 "[ . 1 . 2]" 1
257 1 85 LEU HA 1 88 VAL H . . 5.000 3.457 3.336 3.630 . 0 0 "[ . 1 . 2]" 1
258 1 86 TYR HA 1 89 HIS H . . 5.000 3.137 3.028 3.262 . 0 0 "[ . 1 . 2]" 1
259 1 87 CYS HA 1 90 GLN H . . 5.000 3.426 3.107 3.729 . 0 0 "[ . 1 . 2]" 1
260 1 88 VAL HA 1 91 ARG H . . 5.000 3.031 2.782 3.319 . 0 0 "[ . 1 . 2]" 1
261 1 75 LEU HA 1 79 TYR H . . 5.000 4.228 4.096 4.293 . 0 0 "[ . 1 . 2]" 1
262 1 76 ARG HA 1 80 ASN H . . 5.000 4.301 4.083 4.350 . 0 0 "[ . 1 . 2]" 1
263 1 80 ASN HA 1 84 VAL H . . 5.000 4.303 4.194 4.354 . 0 0 "[ . 1 . 2]" 1
264 1 82 ILE HA 1 86 TYR H . . 5.000 4.180 3.978 4.327 . 0 0 "[ . 1 . 2]" 1
265 1 85 LEU HA 1 89 HIS H . . 5.000 4.162 3.771 4.335 . 0 0 "[ . 1 . 2]" 1
266 1 86 TYR HA 1 90 GLN H . . 5.000 4.140 3.838 4.274 . 0 0 "[ . 1 . 2]" 1
267 1 73 GLU HA 1 76 ARG QB . . 3.300 2.630 2.479 2.847 . 0 0 "[ . 1 . 2]" 1
268 1 74 GLU HA 1 77 SER HB2 . . 5.000 3.196 2.459 3.922 . 0 0 "[ . 1 . 2]" 1
269 1 75 LEU HA 1 78 LEU HB2 . . 5.000 2.982 2.470 4.075 . 0 0 "[ . 1 . 2]" 1
270 1 75 LEU HA 1 78 LEU HB3 . . 5.000 3.196 2.447 3.670 . 0 0 "[ . 1 . 2]" 1
271 1 76 ARG HA 1 79 TYR HB3 . . 3.300 2.540 2.355 2.755 . 0 0 "[ . 1 . 2]" 1
272 1 77 SER HA 1 80 ASN HB2 . . 3.300 2.901 2.573 3.541 0.241 5 0 "[ . 1 . 2]" 1
273 1 78 LEU HA 1 81 THR HB . . 3.300 2.731 2.403 3.099 . 0 0 "[ . 1 . 2]" 1
274 1 79 TYR HA 1 82 ILE HB . . 5.000 2.628 2.414 2.749 . 0 0 "[ . 1 . 2]" 1
275 1 80 ASN HA 1 83 ALA MB . . 3.800 2.577 2.346 2.768 . 0 0 "[ . 1 . 2]" 1
276 1 81 THR HA 1 84 VAL HB . . 5.000 2.621 2.421 2.768 . 0 0 "[ . 1 . 2]" 1
277 1 82 ILE HA 1 85 LEU HB2 . . 5.000 2.907 2.204 3.404 . 0 0 "[ . 1 . 2]" 1
278 1 83 ALA HA 1 86 TYR HB2 . . 5.000 3.556 3.348 3.786 . 0 0 "[ . 1 . 2]" 1
279 1 84 VAL HA 1 87 CYS QB . . 3.300 2.559 2.115 3.223 . 0 0 "[ . 1 . 2]" 1
280 1 87 CYS HA 1 90 GLN HB2 . . 5.000 3.045 2.217 3.720 . 0 0 "[ . 1 . 2]" 1
281 1 91 ARG HA 1 92 ILE H . . 2.700 2.653 2.539 2.712 0.012 15 0 "[ . 1 . 2]" 1
282 1 92 ILE HA 1 93 ASP H . . 2.700 2.203 2.179 2.211 . 0 0 "[ . 1 . 2]" 1
283 1 92 ILE MG 1 93 ASP H . . 2.700 2.503 2.329 2.703 0.003 7 0 "[ . 1 . 2]" 1
284 1 93 ASP HA 1 94 VAL H . . 2.700 2.300 2.251 2.386 . 0 0 "[ . 1 . 2]" 1
285 1 94 VAL HA 1 95 LYS H . . 2.700 2.507 2.381 2.554 . 0 0 "[ . 1 . 2]" 1
286 1 94 VAL HB 1 95 LYS H . . 2.700 2.439 2.305 2.712 0.012 4 0 "[ . 1 . 2]" 1
287 1 95 LYS H 1 96 ASP H . . 2.700 1.920 1.875 2.235 . 0 0 "[ . 1 . 2]" 1
288 1 19 ILE HA 1 95 LYS HA . . 5.000 3.339 2.389 3.779 . 0 0 "[ . 1 . 2]" 1
289 1 20 ARG HA 1 96 ASP HA . . 5.000 4.270 3.988 4.666 . 0 0 "[ . 1 . 2]" 1
290 1 94 VAL HA 1 96 ASP H . . 5.000 4.182 3.760 4.559 . 0 0 "[ . 1 . 2]" 1
291 1 96 ASP HA 1 97 THR H . . 2.700 2.488 2.311 2.641 . 0 0 "[ . 1 . 2]" 1
292 1 20 ARG H 1 96 ASP HA . . 2.700 2.087 1.945 2.483 . 0 0 "[ . 1 . 2]" 1
293 1 21 LEU HA 1 97 THR H . . 5.000 3.356 2.799 3.638 . 0 0 "[ . 1 . 2]" 1
294 1 20 ARG H 1 97 THR H . . 5.000 3.995 3.643 4.398 . 0 0 "[ . 1 . 2]" 1
295 1 20 ARG H 1 96 ASP H . . 5.000 4.233 3.664 4.732 . 0 0 "[ . 1 . 2]" 1
296 1 19 ILE MG 1 96 ASP HA . . 3.300 2.550 2.261 2.947 . 0 0 "[ . 1 . 2]" 1
297 1 19 ILE MG 1 96 ASP H . . 3.300 3.307 3.301 3.322 0.022 8 0 "[ . 1 . 2]" 1
298 1 19 ILE MG 1 97 THR H . . 3.300 2.921 2.381 3.305 0.005 7 0 "[ . 1 . 2]" 1
299 1 97 THR H 1 98 LYS H . . 3.300 2.665 2.530 2.744 . 0 0 "[ . 1 . 2]" 1
300 1 98 LYS H 1 99 GLU H . . 2.900 2.596 2.525 2.721 . 0 0 "[ . 1 . 2]" 1
301 1 99 GLU H 1 100 ALA H . . 2.900 2.636 2.558 2.788 . 0 0 "[ . 1 . 2]" 1
302 1 100 ALA H 1 101 LEU H . . 2.900 2.641 2.494 2.814 . 0 0 "[ . 1 . 2]" 1
303 1 101 LEU H 1 102 ASP H . . 2.900 2.593 2.511 2.723 . 0 0 "[ . 1 . 2]" 1
304 1 102 ASP H 1 103 LYS H . . 2.900 2.532 2.482 2.596 . 0 0 "[ . 1 . 2]" 1
305 1 103 LYS H 1 104 ILE H . . 2.900 2.660 2.470 2.741 . 0 0 "[ . 1 . 2]" 1
306 1 104 ILE H 1 105 GLU H . . 2.900 2.568 2.446 2.740 . 0 0 "[ . 1 . 2]" 1
307 1 105 GLU H 1 106 GLU H . . 2.900 2.613 2.482 2.673 . 0 0 "[ . 1 . 2]" 1
308 1 106 GLU H 1 107 GLU H . . 2.900 2.683 2.554 2.833 . 0 0 "[ . 1 . 2]" 1
309 1 107 GLU H 1 108 GLN H . . 2.900 2.790 2.614 2.856 . 0 0 "[ . 1 . 2]" 1
310 1 108 GLN H 1 109 ASN H . . 2.900 2.801 2.584 2.874 . 0 0 "[ . 1 . 2]" 1
311 1 109 ASN H 1 110 LYS H . . 2.900 2.796 2.544 2.883 . 0 0 "[ . 1 . 2]" 1
312 1 110 LYS H 1 111 SER H . . 2.900 2.694 2.614 2.711 . 0 0 "[ . 1 . 2]" 1
313 1 111 SER H 1 112 LYS H . . 2.900 2.847 2.634 2.899 . 0 0 "[ . 1 . 2]" 1
314 1 112 LYS H 1 113 LYS H . . 2.900 2.884 2.763 2.900 0.000 12 0 "[ . 1 . 2]" 1
315 1 113 LYS H 1 114 LYS H . . 2.900 2.886 2.725 2.901 0.001 8 0 "[ . 1 . 2]" 1
316 1 114 LYS H 1 115 ALA H . . 2.900 2.870 2.592 2.900 0.000 10 0 "[ . 1 . 2]" 1
317 1 115 ALA H 1 116 GLN H . . 2.900 2.884 2.621 2.902 0.002 8 0 "[ . 1 . 2]" 1
318 1 116 GLN H 1 117 GLN H . . 2.900 2.859 2.729 2.900 0.000 4 0 "[ . 1 . 2]" 1
319 1 117 GLN H 1 118 ALA H . . 2.900 2.883 2.707 2.903 0.003 12 0 "[ . 1 . 2]" 1
320 1 118 ALA H 1 119 ALA H . . 2.900 2.794 2.426 2.902 0.002 6 0 "[ . 1 . 2]" 1
321 1 97 THR H 1 99 GLU H . . 5.000 4.202 3.993 4.376 . 0 0 "[ . 1 . 2]" 1
322 1 98 LYS H 1 100 ALA H . . 5.000 3.999 3.806 4.193 . 0 0 "[ . 1 . 2]" 1
323 1 99 GLU H 1 101 LEU H . . 5.000 4.155 3.876 4.368 . 0 0 "[ . 1 . 2]" 1
324 1 100 ALA H 1 102 ASP H . . 5.000 3.924 3.701 4.197 . 0 0 "[ . 1 . 2]" 1
325 1 101 LEU H 1 103 LYS H . . 5.000 3.974 3.721 4.162 . 0 0 "[ . 1 . 2]" 1
326 1 102 ASP H 1 104 ILE H . . 5.000 4.181 3.984 4.315 . 0 0 "[ . 1 . 2]" 1
327 1 103 LYS H 1 105 GLU H . . 5.000 3.836 3.749 3.976 . 0 0 "[ . 1 . 2]" 1
328 1 104 ILE H 1 106 GLU H . . 5.000 4.080 3.912 4.153 . 0 0 "[ . 1 . 2]" 1
329 1 105 GLU H 1 107 GLU H . . 5.000 4.288 3.906 4.446 . 0 0 "[ . 1 . 2]" 1
330 1 108 GLN H 1 110 LYS H . . 5.000 4.260 4.018 4.389 . 0 0 "[ . 1 . 2]" 1
331 1 109 ASN H 1 111 SER H . . 5.000 4.062 3.738 4.214 . 0 0 "[ . 1 . 2]" 1
332 1 111 SER H 1 113 LYS H . . 5.000 4.246 3.728 4.696 . 0 0 "[ . 1 . 2]" 1
333 1 112 LYS H 1 114 LYS H . . 5.000 4.343 3.873 4.664 . 0 0 "[ . 1 . 2]" 1
334 1 113 LYS H 1 115 ALA H . . 5.000 4.321 4.065 4.435 . 0 0 "[ . 1 . 2]" 1
335 1 114 LYS H 1 116 GLN H . . 5.000 4.348 4.241 4.516 . 0 0 "[ . 1 . 2]" 1
336 1 115 ALA H 1 117 GLN H . . 5.000 4.317 3.951 4.582 . 0 0 "[ . 1 . 2]" 1
337 1 116 GLN H 1 118 ALA H . . 5.000 4.347 3.905 4.797 . 0 0 "[ . 1 . 2]" 1
338 1 117 GLN H 1 119 ALA H . . 5.000 4.411 3.647 4.785 . 0 0 "[ . 1 . 2]" 1
339 1 120 ALA H 1 122 THR H . . 5.000 4.322 3.627 4.698 . 0 0 "[ . 1 . 2]" 1
340 1 98 LYS H 1 101 LEU H . . 5.000 4.647 4.483 4.832 . 0 0 "[ . 1 . 2]" 1
341 1 99 GLU H 1 102 ASP H . . 5.000 4.547 4.369 4.730 . 0 0 "[ . 1 . 2]" 1
342 1 100 ALA H 1 103 LYS H . . 5.000 4.478 4.275 4.651 . 0 0 "[ . 1 . 2]" 1
343 1 102 ASP H 1 105 GLU H . . 5.000 4.459 4.352 4.713 . 0 0 "[ . 1 . 2]" 1
344 1 103 LYS H 1 106 GLU H . . 5.000 4.533 4.395 4.654 . 0 0 "[ . 1 . 2]" 1
345 1 96 ASP H 1 100 ALA H . . 5.000 3.740 3.425 4.111 . 0 0 "[ . 1 . 2]" 1
346 1 96 ASP QB 1 99 GLU H . . 3.300 2.908 2.731 3.193 . 0 0 "[ . 1 . 2]" 1
347 1 97 THR HA 1 100 ALA H . . 5.000 3.291 3.143 3.465 . 0 0 "[ . 1 . 2]" 1
348 1 98 LYS HA 1 101 LEU H . . 5.000 3.415 3.203 3.644 . 0 0 "[ . 1 . 2]" 1
349 1 99 GLU HA 1 102 ASP H . . 5.000 3.287 3.126 3.505 . 0 0 "[ . 1 . 2]" 1
350 1 100 ALA HA 1 103 LYS H . . 5.000 3.285 3.142 3.437 . 0 0 "[ . 1 . 2]" 1
351 1 101 LEU HA 1 104 ILE H . . 5.000 3.410 3.157 3.589 . 0 0 "[ . 1 . 2]" 1
352 1 103 LYS HA 1 106 GLU H . . 5.000 3.386 3.122 3.550 . 0 0 "[ . 1 . 2]" 1
353 1 104 ILE HA 1 107 GLU H . . 5.000 3.455 3.362 3.662 . 0 0 "[ . 1 . 2]" 1
354 1 109 ASN HA 1 112 LYS H . . 5.000 3.574 3.392 3.731 . 0 0 "[ . 1 . 2]" 1
355 1 111 SER HA 1 114 LYS H . . 5.000 3.496 3.348 3.650 . 0 0 "[ . 1 . 2]" 1
356 1 98 LYS HA 1 102 ASP H . . 5.000 4.006 3.727 4.242 . 0 0 "[ . 1 . 2]" 1
357 1 101 LEU HA 1 105 GLU H . . 5.000 3.873 3.712 4.102 . 0 0 "[ . 1 . 2]" 1
358 1 97 THR HA 1 100 ALA MB . . 3.300 2.485 2.171 2.724 . 0 0 "[ . 1 . 2]" 1
359 1 98 LYS HA 1 101 LEU HB2 . . 5.000 2.972 2.129 4.043 . 0 0 "[ . 1 . 2]" 1
360 1 98 LYS HA 1 101 LEU HB3 . . 5.000 3.584 2.574 4.617 . 0 0 "[ . 1 . 2]" 1
361 1 99 GLU HA 1 102 ASP HB2 . . 5.000 2.975 2.123 3.840 . 0 0 "[ . 1 . 2]" 1
362 1 99 GLU HA 1 102 ASP HB3 . . 3.300 2.768 2.136 3.806 0.506 2 1 "[ + . 1 . 2]" 1
363 1 100 ALA HA 1 103 LYS HB3 . . 5.000 3.340 2.228 4.496 . 0 0 "[ . 1 . 2]" 1
364 1 100 ALA HA 1 103 LYS HB2 . . 3.300 2.713 2.051 3.425 0.125 10 0 "[ . 1 . 2]" 1
365 1 101 LEU HA 1 104 ILE HB . . 5.000 3.208 2.552 4.891 . 0 0 "[ . 1 . 2]" 1
366 1 102 ASP HA 1 105 GLU QB . . 3.300 2.230 1.975 2.702 . 0 0 "[ . 1 . 2]" 1
367 1 103 LYS HA 1 106 GLU QB . . 3.300 2.776 2.346 3.227 . 0 0 "[ . 1 . 2]" 1
368 1 104 ILE HA 1 107 GLU QB . . 3.300 2.772 2.453 3.173 . 0 0 "[ . 1 . 2]" 1
369 1 105 GLU HA 1 108 GLN QB . . 3.300 2.800 2.372 3.301 0.001 16 0 "[ . 1 . 2]" 1
370 1 106 GLU HA 1 109 ASN QB . . 3.300 2.635 2.265 2.944 . 0 0 "[ . 1 . 2]" 1
371 1 108 GLN HA 1 111 SER QB . . 3.300 2.376 2.181 2.750 . 0 0 "[ . 1 . 2]" 1
372 1 109 ASN HA 1 112 LYS QB . . 3.300 2.933 2.751 3.301 0.001 20 0 "[ . 1 . 2]" 1
373 1 111 SER HA 1 114 LYS QB . . 3.300 2.659 2.353 2.835 . 0 0 "[ . 1 . 2]" 1
374 1 112 LYS HA 1 115 ALA MB . . 3.300 2.564 2.160 2.697 . 0 0 "[ . 1 . 2]" 1
375 1 116 GLN HA 1 119 ALA MB . . 3.800 2.478 1.952 3.175 . 0 0 "[ . 1 . 2]" 1
376 1 117 GLN HA 1 120 ALA MB . . 3.800 2.775 2.088 3.408 . 0 0 "[ . 1 . 2]" 1
377 1 118 ALA HA 1 121 ASP QB . . 5.000 2.965 1.807 5.496 0.496 12 0 "[ . 1 . 2]" 1
378 1 119 ALA HA 1 122 THR MG . . 5.000 4.005 2.188 5.025 0.025 6 0 "[ . 1 . 2]" 1
379 1 1 MYR C8 1 5 ALA HA . . 8.500 5.339 4.284 6.599 . 0 0 "[ . 1 . 2]" 1
380 1 1 MYR C8 1 5 ALA MB . . 6.800 5.039 3.708 5.940 . 0 0 "[ . 1 . 2]" 1
381 1 1 MYR C8 1 6 SER QB . . 8.500 3.870 2.937 4.523 . 0 0 "[ . 1 . 2]" 1
382 1 1 MYR C8 1 7 VAL QG . . 6.800 2.522 2.230 3.284 . 0 0 "[ . 1 . 2]" 1
383 1 1 MYR C8 1 34 ILE MG . . 6.800 4.168 3.373 5.005 . 0 0 "[ . 1 . 2]" 1
384 1 1 MYR C8 1 38 SER QB . . 6.800 3.745 2.831 4.446 . 0 0 "[ . 1 . 2]" 1
385 1 1 MYR C8 1 48 PRO HB2 . . 8.500 3.023 2.386 3.748 . 0 0 "[ . 1 . 2]" 1
386 1 1 MYR C8 1 35 VAL MG2 . . 6.800 6.157 5.321 6.807 0.007 10 0 "[ . 1 . 2]" 1
387 1 1 MYR C8 1 51 LEU QD . . 6.800 4.342 3.310 5.097 . 0 0 "[ . 1 . 2]" 1
388 1 1 MYR C8 1 52 GLU HA . . 6.800 6.414 5.206 6.813 0.013 14 0 "[ . 1 . 2]" 1
389 1 1 MYR C8 1 52 GLU H . . 6.800 6.438 5.248 6.811 0.011 8 0 "[ . 1 . 2]" 1
390 1 4 ARG HA 1 5 ALA H . . 2.700 2.376 2.226 2.701 0.001 1 0 "[ . 1 . 2]" 1
391 1 5 ALA H 1 5 ALA MB . . 2.700 2.304 1.951 2.722 0.022 1 0 "[ . 1 . 2]" 1
392 1 5 ALA HA 1 6 SER H . . 2.700 2.574 2.354 2.764 0.064 17 0 "[ . 1 . 2]" 1
393 1 5 ALA MB 1 6 SER H . . 2.700 2.385 2.055 2.705 0.005 18 0 "[ . 1 . 2]" 1
394 1 5 ALA MB 1 7 VAL H . . 5.000 3.062 2.392 3.960 . 0 0 "[ . 1 . 2]" 1
395 1 5 ALA MB 1 13 LEU QD . . 3.300 2.988 2.049 3.265 . 0 0 "[ . 1 . 2]" 1
396 1 5 ALA MB 1 31 LEU QD . . 3.300 2.935 2.598 3.206 . 0 0 "[ . 1 . 2]" 1
397 1 6 SER H 1 7 VAL H . . 2.900 2.440 1.887 2.902 0.002 13 0 "[ . 1 . 2]" 1
398 1 6 SER QB 1 49 GLY H . . 5.000 4.995 4.862 5.026 0.026 14 0 "[ . 1 . 2]" 1
399 1 6 SER QB 1 52 GLU H . . 5.000 5.000 4.877 5.101 0.101 19 0 "[ . 1 . 2]" 1
400 1 7 VAL QG 1 51 LEU QD . . 3.300 2.658 1.816 3.155 . 0 0 "[ . 1 . 2]" 1
401 1 7 VAL H 1 7 VAL HB . . 2.700 2.537 2.063 2.750 0.050 11 0 "[ . 1 . 2]" 1
402 1 7 VAL H 1 8 LEU H . . 2.700 2.510 1.888 2.737 0.037 14 0 "[ . 1 . 2]" 1
403 1 7 VAL HB 1 8 LEU H . . 3.300 2.307 1.948 2.665 . 0 0 "[ . 1 . 2]" 1
404 1 7 VAL QG 1 34 ILE MG . . 3.300 2.566 1.863 3.178 . 0 0 "[ . 1 . 2]" 1
405 1 7 VAL QG 1 34 ILE MD . . 3.300 2.752 1.878 3.279 . 0 0 "[ . 1 . 2]" 1
406 1 7 VAL QG 1 85 LEU QD . . 3.300 1.773 1.549 2.099 . 0 0 "[ . 1 . 2]" 1
407 1 7 VAL HA 1 52 GLU HA . . 3.300 2.067 1.930 2.445 . 0 0 "[ . 1 . 2]" 1
408 1 8 LEU HA 1 9 SER H . . 2.700 2.401 2.176 2.708 0.008 10 0 "[ . 1 . 2]" 1
409 1 8 LEU QD 1 12 GLU HB2 . . 5.000 3.189 2.063 4.013 . 0 0 "[ . 1 . 2]" 1
410 1 8 LEU QD 1 13 LEU H . . 5.000 3.911 2.983 4.386 . 0 0 "[ . 1 . 2]" 1
411 1 8 LEU QD 1 13 LEU HA . . 3.300 2.688 1.915 3.275 . 0 0 "[ . 1 . 2]" 1
412 1 8 LEU QB 1 13 LEU QD . . 3.300 2.619 1.699 3.374 0.074 17 0 "[ . 1 . 2]" 1
413 1 8 LEU QD 1 34 ILE MD . . 3.300 2.377 1.615 3.141 . 0 0 "[ . 1 . 2]" 1
414 1 8 LEU QD 1 85 LEU QD . . 5.000 1.760 1.455 2.390 . 0 0 "[ . 1 . 2]" 1
415 1 8 LEU QD 1 88 VAL QG . . 5.000 1.945 1.647 2.979 . 0 0 "[ . 1 . 2]" 1
416 1 9 SER H 1 12 GLU QB . . 3.300 2.063 1.743 3.015 . 0 0 "[ . 1 . 2]" 1
417 1 9 SER H 1 13 LEU H . . 5.000 4.200 3.203 4.947 . 0 0 "[ . 1 . 2]" 1
418 1 12 GLU HA 1 88 VAL QG . . 3.300 3.203 2.478 3.291 . 0 0 "[ . 1 . 2]" 1
419 1 13 LEU HA 1 13 LEU QD . . 2.700 2.141 1.874 2.740 0.040 17 0 "[ . 1 . 2]" 1
420 1 13 LEU HB3 1 14 ASP H . . 3.300 3.007 2.640 3.602 0.302 1 0 "[ . 1 . 2]" 1
421 1 13 LEU QD 1 16 TRP HD1 . . 5.000 2.303 1.853 2.879 . 0 0 "[ . 1 . 2]" 1
422 1 13 LEU HA 1 16 TRP HD1 . . 5.000 3.323 3.055 4.022 . 0 0 "[ . 1 . 2]" 1
423 1 13 LEU QD 1 17 GLU H . . 5.000 4.019 3.172 4.868 . 0 0 "[ . 1 . 2]" 1
424 1 13 LEU QD 1 31 LEU HA . . 5.000 3.496 3.185 3.972 . 0 0 "[ . 1 . 2]" 1
425 1 13 LEU QD 1 34 ILE MD . . 5.000 2.150 1.708 4.103 . 0 0 "[ . 1 . 2]" 1
426 1 16 TRP HB3 1 16 TRP HD1 . . 3.300 2.763 2.694 2.796 . 0 0 "[ . 1 . 2]" 1
427 1 16 TRP HA 1 16 TRP HE3 . . 3.300 3.255 2.988 3.330 0.030 17 0 "[ . 1 . 2]" 1
428 1 16 TRP HB2 1 16 TRP HE3 . . 3.300 2.468 2.431 2.567 . 0 0 "[ . 1 . 2]" 1
429 1 16 TRP HB3 1 17 GLU H . . 3.300 3.138 2.929 3.269 . 0 0 "[ . 1 . 2]" 1
430 1 16 TRP HD1 1 17 GLU HA . . 5.000 3.539 3.366 3.775 . 0 0 "[ . 1 . 2]" 1
431 1 16 TRP HA 1 19 ILE MD . . 3.300 2.046 1.784 2.600 . 0 0 "[ . 1 . 2]" 1
432 1 16 TRP HE3 1 19 ILE MD . . 5.000 3.274 2.768 3.695 . 0 0 "[ . 1 . 2]" 1
433 1 16 TRP HE1 1 30 LYS H . . 5.000 2.680 2.413 2.953 . 0 0 "[ . 1 . 2]" 1
434 1 16 TRP HE1 1 30 LYS HA . . 5.000 3.001 2.770 3.314 . 0 0 "[ . 1 . 2]" 1
435 1 16 TRP HD1 1 30 LYS HA . . 5.000 3.388 2.893 3.711 . 0 0 "[ . 1 . 2]" 1
436 1 16 TRP HE1 1 31 LEU H . . 5.000 4.195 3.967 4.655 . 0 0 "[ . 1 . 2]" 1
437 1 16 TRP HE1 1 31 LEU HA . . 5.000 3.668 3.448 4.063 . 0 0 "[ . 1 . 2]" 1
438 1 16 TRP HE1 1 31 LEU QD . . 5.000 4.149 3.906 4.822 . 0 0 "[ . 1 . 2]" 1
439 1 16 TRP HD1 1 31 LEU QD . . 5.000 4.415 4.242 4.773 . 0 0 "[ . 1 . 2]" 1
440 1 16 TRP HE1 1 32 LYS H . . 5.000 5.002 4.871 5.025 0.025 13 0 "[ . 1 . 2]" 1
441 1 16 TRP HZ2 1 34 ILE H . . 5.000 3.216 2.932 3.759 . 0 0 "[ . 1 . 2]" 1
442 1 16 TRP HE1 1 34 ILE MD . . 3.300 2.671 2.262 3.320 0.020 7 0 "[ . 1 . 2]" 1
443 1 16 TRP HZ2 1 34 ILE MD . . 5.000 3.420 2.742 3.697 . 0 0 "[ . 1 . 2]" 1
444 1 16 TRP HE1 1 34 ILE HG13 . . 5.000 2.101 1.948 2.615 . 0 0 "[ . 1 . 2]" 1
445 1 16 TRP HE1 1 34 ILE HG12 . . 3.300 3.275 1.984 3.755 0.455 18 0 "[ . 1 . 2]" 1
446 1 16 TRP HE1 1 34 ILE H . . 5.000 3.399 3.160 3.585 . 0 0 "[ . 1 . 2]" 1
447 1 16 TRP HH2 1 81 THR MG . . 2.700 1.816 1.764 1.949 . 0 0 "[ . 1 . 2]" 1
448 1 16 TRP HZ3 1 84 VAL MG1 . . 2.700 2.386 1.976 2.706 0.006 19 0 "[ . 1 . 2]" 1
449 1 16 TRP HE3 1 85 LEU HA . . 5.000 2.576 2.209 2.965 . 0 0 "[ . 1 . 2]" 1
450 1 16 TRP HZ3 1 85 LEU HA . . 2.700 2.289 1.997 2.659 . 0 0 "[ . 1 . 2]" 1
451 1 16 TRP HZ3 1 85 LEU QD . . 5.000 2.535 2.146 3.168 . 0 0 "[ . 1 . 2]" 1
452 1 16 TRP H 1 88 VAL QG . . 3.300 3.154 2.853 3.231 . 0 0 "[ . 1 . 2]" 1
453 1 16 TRP HA 1 88 VAL QG . . 3.300 2.293 1.956 2.975 . 0 0 "[ . 1 . 2]" 1
454 1 16 TRP HE3 1 88 VAL QG . . 2.700 2.187 1.907 2.654 . 0 0 "[ . 1 . 2]" 1
455 1 17 GLU HA 1 30 LYS HA . . 5.000 3.663 3.138 4.103 . 0 0 "[ . 1 . 2]" 1
456 1 19 ILE MG 1 29 TYR QE . . 5.000 2.986 1.945 3.957 . 0 0 "[ . 1 . 2]" 1
457 1 19 ILE MG 1 29 TYR H . . 5.000 4.267 3.764 4.563 . 0 0 "[ . 1 . 2]" 1
458 1 19 ILE MG 1 84 VAL MG2 . . 2.700 2.144 1.737 2.701 0.001 16 0 "[ . 1 . 2]" 1
459 1 19 ILE MG 1 84 VAL MG1 . . 3.300 2.395 2.026 2.932 . 0 0 "[ . 1 . 2]" 1
460 1 19 ILE MD 1 84 VAL MG1 . . 2.700 1.983 1.724 2.488 . 0 0 "[ . 1 . 2]" 1
461 1 19 ILE MD 1 84 VAL MG2 . . 5.000 3.618 3.125 4.177 . 0 0 "[ . 1 . 2]" 1
462 1 19 ILE HG12 1 94 VAL MG2 . . 3.300 2.227 1.773 3.302 0.002 7 0 "[ . 1 . 2]" 1
463 1 19 ILE MD 1 94 VAL QG . . 5.000 2.565 2.088 3.098 . 0 0 "[ . 1 . 2]" 1
464 1 21 LEU H 1 21 LEU HG . . 2.700 2.133 1.943 2.585 . 0 0 "[ . 1 . 2]" 1
465 1 21 LEU MD1 1 27 LYS H . . 5.000 4.260 3.180 5.007 0.007 3 0 "[ . 1 . 2]" 1
466 1 21 LEU MD2 1 28 GLN HA . . 3.300 3.066 1.972 3.304 0.004 17 0 "[ . 1 . 2]" 1
467 1 21 LEU MD2 1 28 GLN H . . 5.000 4.384 3.457 5.001 0.001 19 0 "[ . 1 . 2]" 1
468 1 21 LEU MD2 1 29 TYR HE1 . . 2.700 2.052 1.809 2.671 . 0 0 "[ . 1 . 2]" 1
469 1 21 LEU MD2 1 29 TYR HD1 . . 2.700 2.015 1.763 2.692 . 0 0 "[ . 1 . 2]" 1
470 1 21 LEU MD2 1 29 TYR HA . . 5.000 2.843 2.340 3.137 . 0 0 "[ . 1 . 2]" 1
471 1 21 LEU MD2 1 29 TYR H . . 5.000 3.336 2.894 3.792 . 0 0 "[ . 1 . 2]" 1
472 1 21 LEU MD1 1 29 TYR H . . 5.000 4.968 4.711 5.033 0.033 13 0 "[ . 1 . 2]" 1
473 1 21 LEU MD2 1 33 HIS HE1 . . 5.000 2.476 1.849 3.310 . 0 0 "[ . 1 . 2]" 1
474 1 21 LEU MD1 1 33 HIS HE1 . . 5.000 1.947 1.773 2.236 . 0 0 "[ . 1 . 2]" 1
475 1 21 LEU HA 1 97 THR MG . . 3.300 2.558 1.872 3.314 0.014 8 0 "[ . 1 . 2]" 1
476 1 21 LEU HA 1 97 THR HB . . 5.000 3.186 2.279 4.448 . 0 0 "[ . 1 . 2]" 1
477 1 29 TYR H 1 29 TYR HD1 . . 5.000 2.186 1.948 2.452 . 0 0 "[ . 1 . 2]" 1
478 1 29 TYR HD1 1 33 HIS HE1 . . 5.000 4.427 3.450 5.003 0.003 3 0 "[ . 1 . 2]" 1
479 1 29 TYR HA 1 33 HIS HE1 . . 5.000 3.187 2.829 3.748 . 0 0 "[ . 1 . 2]" 1
480 1 29 TYR QE 1 81 THR H . . 5.000 4.737 4.188 5.007 0.007 11 0 "[ . 1 . 2]" 1
481 1 29 TYR QE 1 81 THR HA . . 5.000 2.268 1.996 3.091 . 0 0 "[ . 1 . 2]" 1
482 1 29 TYR HD2 1 81 THR MG . . 3.300 3.104 2.503 3.311 0.011 3 0 "[ . 1 . 2]" 1
483 1 29 TYR HE2 1 81 THR MG . . 3.300 2.110 1.798 2.355 . 0 0 "[ . 1 . 2]" 1
484 1 29 TYR QE 1 84 VAL MG1 . . 3.300 2.509 1.974 3.304 0.004 3 0 "[ . 1 . 2]" 1
485 1 29 TYR QE 1 84 VAL MG2 . . 5.000 3.076 2.782 3.506 . 0 0 "[ . 1 . 2]" 1
486 1 29 TYR HE1 1 97 THR H . . 5.000 4.127 3.034 4.699 . 0 0 "[ . 1 . 2]" 1
487 1 29 TYR HE1 1 97 THR HA . . 5.000 4.266 3.589 4.845 . 0 0 "[ . 1 . 2]" 1
488 1 29 TYR HE1 1 97 THR MG . . 5.000 3.164 1.822 4.254 . 0 0 "[ . 1 . 2]" 1
489 1 30 LYS H 1 33 HIS HE1 . . 5.000 4.785 4.308 5.006 0.006 17 0 "[ . 1 . 2]" 1
490 1 31 LEU H 1 31 LEU QD . . 3.300 3.155 2.997 3.202 . 0 0 "[ . 1 . 2]" 1
491 1 31 LEU HA 1 31 LEU QD . . 3.300 1.988 1.856 2.874 . 0 0 "[ . 1 . 2]" 1
492 1 31 LEU HA 1 34 ILE MD . . 5.000 3.062 2.417 4.478 . 0 0 "[ . 1 . 2]" 1
493 1 31 LEU QD 1 34 ILE MD . . 5.000 2.567 1.973 3.809 . 0 0 "[ . 1 . 2]" 1
494 1 33 HIS HA 1 36 TRP HE3 . . 3.300 2.956 2.147 3.303 0.003 16 0 "[ . 1 . 2]" 1
495 1 34 ILE H 1 34 ILE HB . . 2.700 2.222 2.163 2.298 . 0 0 "[ . 1 . 2]" 1
496 1 34 ILE HA 1 34 ILE MG . . 2.700 2.553 2.516 2.593 . 0 0 "[ . 1 . 2]" 1
497 1 34 ILE HB 1 35 VAL H . . 3.300 2.861 2.723 3.021 . 0 0 "[ . 1 . 2]" 1
498 1 34 ILE MG 1 35 VAL H . . 3.300 3.287 3.153 3.314 0.014 19 0 "[ . 1 . 2]" 1
499 1 34 ILE MG 1 35 VAL MG2 . . 5.000 3.103 2.831 3.415 . 0 0 "[ . 1 . 2]" 1
500 1 34 ILE MG 1 35 VAL HA . . 5.000 3.319 3.264 3.413 . 0 0 "[ . 1 . 2]" 1
501 1 34 ILE HA 1 81 THR MG . . 5.000 3.863 3.647 4.151 . 0 0 "[ . 1 . 2]" 1
502 1 34 ILE H 1 81 THR MG . . 5.000 4.784 4.549 4.984 . 0 0 "[ . 1 . 2]" 1
503 1 34 ILE MD 1 85 LEU QD . . 5.000 2.914 1.944 3.726 . 0 0 "[ . 1 . 2]" 1
504 1 34 ILE MG 1 85 LEU QD . . 4.300 3.653 3.411 4.101 . 0 0 "[ . 1 . 2]" 1
505 1 35 VAL HA 1 35 VAL MG1 . . 2.700 2.619 2.563 2.668 . 0 0 "[ . 1 . 2]" 1
506 1 35 VAL HA 1 35 VAL MG2 . . 2.700 2.218 2.069 2.314 . 0 0 "[ . 1 . 2]" 1
507 1 35 VAL H 1 35 VAL MG2 . . 2.700 2.565 2.420 2.704 0.004 17 0 "[ . 1 . 2]" 1
508 1 35 VAL H 1 35 VAL HB . . 2.700 2.165 2.112 2.222 . 0 0 "[ . 1 . 2]" 1
509 1 35 VAL MG1 1 36 TRP H . . 3.300 3.182 3.047 3.300 0.000 9 0 "[ . 1 . 2]" 1
510 1 36 TRP HE3 1 37 ALA H . . 3.300 3.246 2.868 3.309 0.009 8 0 "[ . 1 . 2]" 1
511 1 36 TRP HZ2 1 74 GLU QG . . 5.000 2.844 1.967 4.532 . 0 0 "[ . 1 . 2]" 1
512 1 36 TRP HH2 1 78 LEU H . . 3.300 2.618 2.065 3.163 . 0 0 "[ . 1 . 2]" 1
513 1 36 TRP HZ2 1 78 LEU H . . 5.000 4.001 2.981 5.000 0.000 1 0 "[ . 1 . 2]" 1
514 1 36 TRP HZ3 1 78 LEU H . . 5.000 4.299 3.488 5.004 0.004 8 0 "[ . 1 . 2]" 1
515 1 36 TRP HZ3 1 78 LEU HA . . 3.300 2.665 2.015 3.198 . 0 0 "[ . 1 . 2]" 1
516 1 36 TRP HH2 1 78 LEU HA . . 5.000 2.871 2.106 3.628 . 0 0 "[ . 1 . 2]" 1
517 1 36 TRP HZ3 1 78 LEU QD . . 5.000 3.304 2.533 4.289 . 0 0 "[ . 1 . 2]" 1
518 1 36 TRP HZ3 1 81 THR H . . 5.000 4.309 3.872 4.937 . 0 0 "[ . 1 . 2]" 1
519 1 36 TRP HZ3 1 81 THR MG . . 5.000 3.260 2.440 3.872 . 0 0 "[ . 1 . 2]" 1
520 1 37 ALA MB 1 38 SER H . . 2.700 2.621 2.378 2.709 0.009 1 0 "[ . 1 . 2]" 1
521 1 37 ALA MB 1 78 LEU QD . . 3.300 2.386 2.093 2.836 . 0 0 "[ . 1 . 2]" 1
522 1 37 ALA HA 1 78 LEU QD . . 2.700 1.960 1.709 2.444 . 0 0 "[ . 1 . 2]" 1
523 1 37 ALA MB 1 81 THR MG . . 5.000 2.558 1.929 2.963 . 0 0 "[ . 1 . 2]" 1
524 1 37 ALA MB 1 81 THR HB . . 5.000 3.252 2.841 3.841 . 0 0 "[ . 1 . 2]" 1
525 1 38 SER HA 1 51 LEU QD . . 3.300 3.269 3.038 3.332 0.032 10 0 "[ . 1 . 2]" 1
526 1 38 SER H 1 51 LEU QD . . 5.000 4.557 4.104 4.804 . 0 0 "[ . 1 . 2]" 1
527 1 38 SER H 1 78 LEU QD . . 5.000 4.594 4.197 4.933 . 0 0 "[ . 1 . 2]" 1
528 1 40 GLU QB 1 78 LEU QD . . 3.300 1.798 1.613 2.368 . 0 0 "[ . 1 . 2]" 1
529 1 41 LEU HA 1 46 VAL HB . . 5.000 3.901 2.849 5.009 0.009 7 0 "[ . 1 . 2]" 1
530 1 41 LEU QD 1 46 VAL HB . . 5.000 3.067 1.958 4.479 . 0 0 "[ . 1 . 2]" 1
531 1 41 LEU HA 1 46 VAL QG . . 5.000 2.661 2.038 3.377 . 0 0 "[ . 1 . 2]" 1
532 1 41 LEU QD 1 48 PRO HA . . 5.000 3.367 2.109 4.558 . 0 0 "[ . 1 . 2]" 1
533 1 41 LEU QD 1 48 PRO HB3 . . 5.000 4.198 3.454 4.747 . 0 0 "[ . 1 . 2]" 1
534 1 41 LEU QD 1 51 LEU QD . . 3.300 1.841 1.492 2.385 . 0 0 "[ . 1 . 2]" 1
535 1 41 LEU QD 1 60 ILE MD . . 3.300 1.875 1.639 2.438 . 0 0 "[ . 1 . 2]" 1
536 1 41 LEU QD 1 60 ILE MG . . 3.300 2.062 1.699 2.491 . 0 0 "[ . 1 . 2]" 1
537 1 41 LEU QD 1 64 LEU QD . . 5.000 3.530 2.817 4.176 . 0 0 "[ . 1 . 2]" 1
538 1 41 LEU H 1 78 LEU QD . . 5.000 3.607 3.167 4.074 . 0 0 "[ . 1 . 2]" 1
539 1 41 LEU QD 1 78 LEU QD . . 5.000 2.405 1.794 2.835 . 0 0 "[ . 1 . 2]" 1
540 1 42 GLU H 1 48 PRO HG3 . . 5.000 4.775 3.358 5.011 0.011 19 0 "[ . 1 . 2]" 1
541 1 44 PHE H 1 44 PHE HB2 . . 2.700 1.978 1.940 2.045 . 0 0 "[ . 1 . 2]" 1
542 1 44 PHE HB3 1 46 VAL QG . . 5.000 2.081 1.790 2.936 . 0 0 "[ . 1 . 2]" 1
543 1 44 PHE HB2 1 46 VAL QG . . 5.000 2.360 1.913 2.824 . 0 0 "[ . 1 . 2]" 1
544 1 44 PHE HZ 1 75 LEU HA . . 5.000 4.138 3.157 5.002 0.002 17 0 "[ . 1 . 2]" 1
545 1 44 PHE HZ 1 75 LEU MD1 . . 5.000 2.153 1.833 2.774 . 0 0 "[ . 1 . 2]" 1
546 1 46 VAL HA 1 46 VAL QG . . 2.700 2.219 2.035 2.470 . 0 0 "[ . 1 . 2]" 1
547 1 46 VAL H 1 46 VAL QG . . 2.700 2.255 1.877 2.649 . 0 0 "[ . 1 . 2]" 1
548 1 46 VAL QG 1 50 LEU HG . . 3.300 3.164 2.822 3.296 . 0 0 "[ . 1 . 2]" 1
549 1 46 VAL QG 1 50 LEU QD . . 3.700 2.094 1.621 2.688 . 0 0 "[ . 1 . 2]" 1
550 1 46 VAL QG 1 60 ILE HA . . 5.000 4.028 3.763 4.265 . 0 0 "[ . 1 . 2]" 1
551 1 46 VAL QG 1 60 ILE MG . . 5.000 3.023 1.936 3.823 . 0 0 "[ . 1 . 2]" 1
552 1 46 VAL QG 1 63 GLN QB . . 5.000 4.422 3.749 4.641 . 0 0 "[ . 1 . 2]" 1
553 1 47 ASN HA 1 49 GLY H . . 5.000 4.051 3.912 4.267 . 0 0 "[ . 1 . 2]" 1
554 1 47 ASN QB 1 49 GLY H . . 5.000 3.317 2.745 3.859 . 0 0 "[ . 1 . 2]" 1
555 1 47 ASN QB 1 50 LEU QD . . 5.000 2.228 1.689 3.155 . 0 0 "[ . 1 . 2]" 1
556 1 47 ASN H 1 50 LEU QD . . 3.300 2.432 1.896 3.295 . 0 0 "[ . 1 . 2]" 1
557 1 47 ASN QB 1 50 LEU H . . 5.000 2.280 2.058 3.011 . 0 0 "[ . 1 . 2]" 1
558 1 48 PRO HB2 1 49 GLY H . . 3.300 3.248 3.070 3.376 0.076 18 0 "[ . 1 . 2]" 1
559 1 50 LEU H 1 50 LEU HB2 . . 3.300 3.352 2.483 3.495 0.195 2 0 "[ . 1 . 2]" 1
560 1 50 LEU QD 1 51 LEU H . . 5.000 3.148 2.174 4.189 . 0 0 "[ . 1 . 2]" 1
561 1 50 LEU HA 1 56 GLY HA2 . . 5.000 4.541 2.822 5.020 0.020 19 0 "[ . 1 . 2]" 1
562 1 50 LEU QD 1 56 GLY HA2 . . 3.300 1.988 1.768 3.157 . 0 0 "[ . 1 . 2]" 1
563 1 50 LEU QD 1 56 GLY HA3 . . 3.300 2.432 2.074 3.237 . 0 0 "[ . 1 . 2]" 1
564 1 51 LEU QD 1 57 CYS HA . . 5.000 2.121 1.790 3.002 . 0 0 "[ . 1 . 2]" 1
565 1 51 LEU QD 1 57 CYS H . . 5.000 3.504 2.931 4.175 . 0 0 "[ . 1 . 2]" 1
566 1 51 LEU HA 1 60 ILE MD . . 3.300 3.110 2.578 3.326 0.026 7 0 "[ . 1 . 2]" 1
567 1 51 LEU QD 1 60 ILE MD . . 3.300 1.989 1.650 2.946 . 0 0 "[ . 1 . 2]" 1
568 1 51 LEU QD 1 85 LEU QD . . 3.300 2.138 1.557 3.087 . 0 0 "[ . 1 . 2]" 1
569 1 52 GLU QG 1 53 THR MG . . 3.300 2.433 1.778 3.303 0.003 17 0 "[ . 1 . 2]" 1
570 1 53 THR H 1 53 THR MG . . 2.700 2.334 1.873 2.669 . 0 0 "[ . 1 . 2]" 1
571 1 54 SER HA 1 86 TYR QD . . 5.000 3.476 3.123 3.840 . 0 0 "[ . 1 . 2]" 1
572 1 54 SER HA 1 86 TYR QE . . 5.000 4.840 4.408 4.960 . 0 0 "[ . 1 . 2]" 1
573 1 54 SER QB 1 86 TYR QD . . 5.000 3.528 3.164 4.169 . 0 0 "[ . 1 . 2]" 1
574 1 54 SER QB 1 86 TYR QE . . 5.000 3.766 3.237 4.126 . 0 0 "[ . 1 . 2]" 1
575 1 54 SER HA 1 89 HIS HB2 . . 2.700 2.719 2.704 2.742 0.042 19 0 "[ . 1 . 2]" 1
576 1 54 SER HA 1 89 HIS HB3 . . 2.700 2.472 1.998 2.703 0.003 16 0 "[ . 1 . 2]" 1
577 1 54 SER HA 1 89 HIS HD2 . . 5.000 3.037 2.241 5.016 0.016 19 0 "[ . 1 . 2]" 1
578 1 57 CYS HB2 1 89 HIS HD2 . . 5.000 2.852 1.997 5.015 0.015 19 0 "[ . 1 . 2]" 1
579 1 57 CYS HB3 1 86 TYR QD . . 5.000 3.210 1.997 5.040 0.040 5 0 "[ . 1 . 2]" 1
580 1 58 ARG H 1 86 TYR QE . . 5.000 4.056 3.552 4.622 . 0 0 "[ . 1 . 2]" 1
581 1 58 ARG HA 1 86 TYR QD . . 3.300 3.128 2.820 3.285 . 0 0 "[ . 1 . 2]" 1
582 1 58 ARG HA 1 86 TYR QE . . 5.000 4.097 3.655 4.505 . 0 0 "[ . 1 . 2]" 1
583 1 60 ILE H 1 60 ILE MD . . 3.300 2.926 2.530 3.305 0.005 7 0 "[ . 1 . 2]" 1
584 1 60 ILE H 1 60 ILE HB . . 2.700 2.315 2.155 2.404 . 0 0 "[ . 1 . 2]" 1
585 1 60 ILE MG 1 61 LEU H . . 3.300 3.224 2.852 3.316 0.016 16 0 "[ . 1 . 2]" 1
586 1 60 ILE HB 1 61 LEU H . . 3.300 2.669 2.558 2.856 . 0 0 "[ . 1 . 2]" 1
587 1 60 ILE MG 1 64 LEU QD . . 3.300 2.220 1.780 2.717 . 0 0 "[ . 1 . 2]" 1
588 1 60 ILE MG 1 64 LEU HG . . 3.300 2.806 2.405 3.311 0.011 17 0 "[ . 1 . 2]" 1
589 1 61 LEU HA 1 61 LEU QD . . 2.700 2.057 1.860 2.591 . 0 0 "[ . 1 . 2]" 1
590 1 61 LEU HB3 1 62 GLY H . . 3.300 2.790 2.540 3.049 . 0 0 "[ . 1 . 2]" 1
591 1 61 LEU HA 1 64 LEU QD . . 5.000 3.031 1.797 4.045 . 0 0 "[ . 1 . 2]" 1
592 1 61 LEU HA 1 79 TYR QE . . 5.000 4.200 3.205 4.906 . 0 0 "[ . 1 . 2]" 1
593 1 61 LEU QD 1 79 TYR QE . . 3.300 2.285 1.839 2.838 . 0 0 "[ . 1 . 2]" 1
594 1 61 LEU QD 1 79 TYR QD . . 5.000 2.198 1.854 2.972 . 0 0 "[ . 1 . 2]" 1
595 1 61 LEU QD 1 79 TYR HA . . 5.000 2.742 2.393 3.511 . 0 0 "[ . 1 . 2]" 1
596 1 61 LEU QD 1 82 ILE MG . . 2.700 2.527 2.190 2.649 . 0 0 "[ . 1 . 2]" 1
597 1 61 LEU H 1 82 ILE MD . . 5.000 4.558 3.680 5.002 0.002 14 0 "[ . 1 . 2]" 1
598 1 61 LEU HB2 1 82 ILE MG . . 2.700 2.325 1.774 2.706 0.006 17 0 "[ . 1 . 2]" 1
599 1 61 LEU QD 1 82 ILE HB . . 5.000 2.547 2.130 3.474 . 0 0 "[ . 1 . 2]" 1
600 1 61 LEU QD 1 83 ALA HA . . 5.000 1.974 1.774 2.367 . 0 0 "[ . 1 . 2]" 1
601 1 61 LEU QD 1 83 ALA H . . 3.300 2.633 2.112 3.099 . 0 0 "[ . 1 . 2]" 1
602 1 61 LEU QD 1 83 ALA MB . . 3.300 1.854 1.727 2.078 . 0 0 "[ . 1 . 2]" 1
603 1 61 LEU QD 1 86 TYR H . . 5.000 4.285 4.046 4.717 . 0 0 "[ . 1 . 2]" 1
604 1 61 LEU QD 1 86 TYR HB2 . . 5.000 3.538 3.074 4.082 . 0 0 "[ . 1 . 2]" 1
605 1 61 LEU QD 1 86 TYR HB3 . . 5.000 3.273 2.662 3.842 . 0 0 "[ . 1 . 2]" 1
606 1 61 LEU QD 1 104 ILE MD . . 5.000 2.694 1.964 3.868 . 0 0 "[ . 1 . 2]" 1
607 1 64 LEU HA 1 75 LEU MD1 . . 5.000 4.530 4.048 5.031 0.031 20 0 "[ . 1 . 2]" 1
608 1 64 LEU QD 1 75 LEU MD1 . . 5.000 3.137 2.067 4.069 . 0 0 "[ . 1 . 2]" 1
609 1 64 LEU QD 1 78 LEU QD . . 3.300 2.903 1.590 3.208 . 0 0 "[ . 1 . 2]" 1
610 1 64 LEU QD 1 79 TYR H . . 5.000 3.716 3.111 4.353 . 0 0 "[ . 1 . 2]" 1
611 1 64 LEU QD 1 79 TYR QD . . 5.000 3.069 1.759 4.190 . 0 0 "[ . 1 . 2]" 1
612 1 64 LEU QD 1 79 TYR HA . . 3.300 2.683 2.018 3.282 . 0 0 "[ . 1 . 2]" 1
613 1 64 LEU QD 1 82 ILE MD . . 5.000 3.028 1.812 4.457 . 0 0 "[ . 1 . 2]" 1
614 1 65 GLN H 1 66 PRO HD2 . . 3.300 2.564 2.521 2.632 . 0 0 "[ . 1 . 2]" 1
615 1 65 GLN H 1 66 PRO HD3 . . 5.000 2.847 2.782 2.944 . 0 0 "[ . 1 . 2]" 1
616 1 65 GLN HG2 1 79 TYR QE . . 5.000 2.593 1.998 4.200 . 0 0 "[ . 1 . 2]" 1
617 1 65 GLN HB2 1 79 TYR QE . . 5.000 4.339 3.167 4.978 . 0 0 "[ . 1 . 2]" 1
618 1 65 GLN H 1 79 TYR QE . . 5.000 4.047 2.758 4.975 . 0 0 "[ . 1 . 2]" 1
619 1 65 GLN H 1 79 TYR QD . . 5.000 4.054 3.318 4.479 . 0 0 "[ . 1 . 2]" 1
620 1 65 GLN HA 1 79 TYR QE . . 3.300 2.680 1.987 3.217 . 0 0 "[ . 1 . 2]" 1
621 1 67 SER HA 1 70 THR MG . . 5.000 4.168 3.771 5.010 0.010 20 0 "[ . 1 . 2]" 1
622 1 67 SER QB 1 75 LEU QD . . 5.000 2.270 1.959 3.050 . 0 0 "[ . 1 . 2]" 1
623 1 68 LEU H 1 68 LEU HG . . 3.300 2.738 2.089 3.581 0.281 20 0 "[ . 1 . 2]" 1
624 1 68 LEU H 1 68 LEU HB2 . . 3.300 2.319 2.181 2.691 . 0 0 "[ . 1 . 2]" 1
625 1 68 LEU HB2 1 69 GLN H . . 3.300 2.884 2.725 3.287 . 0 0 "[ . 1 . 2]" 1
626 1 68 LEU HA 1 75 LEU MD2 . . 2.700 2.705 2.700 2.717 0.017 12 0 "[ . 1 . 2]" 1
627 1 68 LEU QD 1 75 LEU MD2 . . 3.300 2.320 1.692 2.979 . 0 0 "[ . 1 . 2]" 1
628 1 68 LEU QD 1 76 ARG HA . . 2.700 2.099 1.901 2.617 . 0 0 "[ . 1 . 2]" 1
629 1 68 LEU QD 1 76 ARG QG . . 3.300 1.979 1.683 2.863 . 0 0 "[ . 1 . 2]" 1
630 1 68 LEU QD 1 79 TYR H . . 5.000 3.559 3.232 3.884 . 0 0 "[ . 1 . 2]" 1
631 1 68 LEU QD 1 79 TYR QE . . 3.300 2.500 2.273 2.964 . 0 0 "[ . 1 . 2]" 1
632 1 68 LEU QD 1 79 TYR QD . . 3.300 2.117 1.870 2.517 . 0 0 "[ . 1 . 2]" 1
633 1 68 LEU QD 1 79 TYR HB2 . . 3.300 2.167 1.923 2.692 . 0 0 "[ . 1 . 2]" 1
634 1 68 LEU QD 1 79 TYR HB3 . . 3.300 2.163 1.946 2.719 . 0 0 "[ . 1 . 2]" 1
635 1 69 GLN QB 1 70 THR H . . 2.700 2.416 2.047 2.705 0.005 16 0 "[ . 1 . 2]" 1
636 1 71 GLY HA2 1 75 LEU MD2 . . 3.300 2.092 1.787 2.460 . 0 0 "[ . 1 . 2]" 1
637 1 71 GLY HA2 1 75 LEU QB . . 3.300 3.275 2.988 3.318 0.018 20 0 "[ . 1 . 2]" 1
638 1 71 GLY H 1 75 LEU MD2 . . 5.000 3.838 3.526 4.153 . 0 0 "[ . 1 . 2]" 1
639 1 72 SER H 1 72 SER HB3 . . 2.700 2.566 2.515 2.703 0.003 17 0 "[ . 1 . 2]" 1
640 1 72 SER H 1 75 LEU MD2 . . 5.000 2.885 2.021 3.211 . 0 0 "[ . 1 . 2]" 1
641 1 72 SER H 1 75 LEU QB . . 3.300 1.914 1.877 1.928 . 0 0 "[ . 1 . 2]" 1
642 1 75 LEU HG 1 79 TYR H . . 5.000 4.514 4.164 4.879 . 0 0 "[ . 1 . 2]" 1
643 1 77 SER HB3 1 78 LEU H . . 3.300 2.986 2.541 3.683 0.383 1 0 "[ . 1 . 2]" 1
644 1 78 LEU HA 1 78 LEU QD . . 3.300 2.402 1.880 3.140 . 0 0 "[ . 1 . 2]" 1
645 1 78 LEU HB3 1 79 TYR H . . 3.300 2.776 2.616 2.952 . 0 0 "[ . 1 . 2]" 1
646 1 78 LEU QD 1 82 ILE MD . . 5.000 2.453 1.819 3.038 . 0 0 "[ . 1 . 2]" 1
647 1 79 TYR QE 1 83 ALA MB . . 5.000 3.778 3.158 4.111 . 0 0 "[ . 1 . 2]" 1
648 1 79 TYR QE 1 101 LEU QD . . 2.700 1.883 1.692 2.322 . 0 0 "[ . 1 . 2]" 1
649 1 79 TYR QD 1 101 LEU QD . . 3.300 2.698 2.088 2.923 . 0 0 "[ . 1 . 2]" 1
650 1 80 ASN HB2 1 97 THR MG . . 5.000 4.344 2.123 5.009 0.009 13 0 "[ . 1 . 2]" 1
651 1 80 ASN HB3 1 97 THR MG . . 5.000 3.528 1.941 4.392 . 0 0 "[ . 1 . 2]" 1
652 1 80 ASN HA 1 101 LEU QD . . 3.300 2.149 1.767 2.734 . 0 0 "[ . 1 . 2]" 1
653 1 81 THR HA 1 81 THR MG . . 2.700 2.263 2.095 2.614 . 0 0 "[ . 1 . 2]" 1
654 1 81 THR H 1 81 THR HB . . 3.300 2.513 2.188 2.756 . 0 0 "[ . 1 . 2]" 1
655 1 81 THR HB 1 82 ILE H . . 2.700 2.707 2.700 2.718 0.018 11 0 "[ . 1 . 2]" 1
656 1 82 ILE HA 1 82 ILE MG . . 3.300 2.524 2.462 2.610 . 0 0 "[ . 1 . 2]" 1
657 1 82 ILE HB 1 83 ALA H . . 3.300 2.741 2.642 2.896 . 0 0 "[ . 1 . 2]" 1
658 1 82 ILE MG 1 83 ALA H . . 5.000 3.391 3.076 3.642 . 0 0 "[ . 1 . 2]" 1
659 1 83 ALA MB 1 100 ALA MB . . 5.000 3.506 3.123 3.972 . 0 0 "[ . 1 . 2]" 1
660 1 83 ALA MB 1 101 LEU HA . . 5.000 3.158 2.200 3.508 . 0 0 "[ . 1 . 2]" 1
661 1 83 ALA MB 1 101 LEU QD . . 3.700 2.088 1.766 2.820 . 0 0 "[ . 1 . 2]" 1
662 1 83 ALA HA 1 104 ILE MD . . 5.000 3.021 2.140 3.862 . 0 0 "[ . 1 . 2]" 1
663 1 83 ALA HA 1 104 ILE MG . . 5.000 4.160 3.448 4.731 . 0 0 "[ . 1 . 2]" 1
664 1 83 ALA MB 1 104 ILE MD . . 3.700 2.660 1.665 3.651 . 0 0 "[ . 1 . 2]" 1
665 1 83 ALA MB 1 104 ILE MG . . 5.000 2.811 1.975 3.768 . 0 0 "[ . 1 . 2]" 1
666 1 84 VAL H 1 84 VAL MG2 . . 2.700 2.508 2.334 2.645 . 0 0 "[ . 1 . 2]" 1
667 1 84 VAL HA 1 84 VAL MG2 . . 2.700 2.219 2.072 2.296 . 0 0 "[ . 1 . 2]" 1
668 1 84 VAL H 1 84 VAL HB . . 2.700 2.165 2.118 2.279 . 0 0 "[ . 1 . 2]" 1
669 1 84 VAL MG1 1 85 LEU H . . 3.300 3.182 3.060 3.301 0.001 7 0 "[ . 1 . 2]" 1
670 1 84 VAL MG1 1 88 VAL QG . . 5.000 2.712 2.179 3.632 . 0 0 "[ . 1 . 2]" 1
671 1 84 VAL MG1 1 94 VAL MG2 . . 5.000 3.149 2.526 3.746 . 0 0 "[ . 1 . 2]" 1
672 1 84 VAL HA 1 94 VAL MG2 . . 5.000 4.493 3.883 5.001 0.001 3 0 "[ . 1 . 2]" 1
673 1 84 VAL MG2 1 97 THR HA . . 2.700 2.285 1.808 2.702 0.002 1 0 "[ . 1 . 2]" 1
674 1 84 VAL MG2 1 100 ALA MB . . 3.300 1.765 1.599 1.989 . 0 0 "[ . 1 . 2]" 1
675 1 84 VAL H 1 100 ALA MB . . 5.000 3.886 3.637 4.364 . 0 0 "[ . 1 . 2]" 1
676 1 84 VAL HA 1 100 ALA MB . . 2.700 2.552 2.276 2.708 0.008 4 0 "[ . 1 . 2]" 1
677 1 85 LEU HA 1 85 LEU QD . . 3.300 2.114 1.861 2.514 . 0 0 "[ . 1 . 2]" 1
678 1 85 LEU H 1 85 LEU HB2 . . 2.700 2.341 1.981 2.601 . 0 0 "[ . 1 . 2]" 1
679 1 85 LEU HB3 1 86 TYR H . . 3.300 2.750 2.575 2.986 . 0 0 "[ . 1 . 2]" 1
680 1 85 LEU HA 1 88 VAL QG . . 5.000 2.420 2.123 2.919 . 0 0 "[ . 1 . 2]" 1
681 1 85 LEU QD 1 88 VAL QG . . 5.000 2.930 2.309 3.551 . 0 0 "[ . 1 . 2]" 1
682 1 85 LEU HG 1 89 HIS HD2 . . 5.000 3.394 1.995 4.996 . 0 0 "[ . 1 . 2]" 1
683 1 85 LEU QD 1 89 HIS HD2 . . 5.000 2.618 1.846 3.763 . 0 0 "[ . 1 . 2]" 1
684 1 85 LEU QD 1 89 HIS HE1 . . 5.000 3.192 2.227 4.099 . 0 0 "[ . 1 . 2]" 1
685 1 86 TYR HB3 1 87 CYS H . . 2.700 2.578 2.426 2.717 0.017 12 0 "[ . 1 . 2]" 1
686 1 86 TYR QD 1 87 CYS H . . 5.000 3.009 2.773 3.377 . 0 0 "[ . 1 . 2]" 1
687 1 86 TYR HA 1 89 HIS HD2 . . 5.000 2.923 2.093 4.253 . 0 0 "[ . 1 . 2]" 1
688 1 86 TYR QD 1 104 ILE MG . . 5.000 4.381 1.920 4.958 . 0 0 "[ . 1 . 2]" 1
689 1 86 TYR QD 1 104 ILE MD . . 5.000 1.928 1.764 2.412 . 0 0 "[ . 1 . 2]" 1
690 1 87 CYS HB3 1 92 ILE HB . . 5.000 2.803 1.966 4.819 . 0 0 "[ . 1 . 2]" 1
691 1 87 CYS HA 1 92 ILE HB . . 5.000 2.763 2.400 3.513 . 0 0 "[ . 1 . 2]" 1
692 1 87 CYS HB3 1 92 ILE H . . 5.000 3.952 3.238 5.317 0.317 15 0 "[ . 1 . 2]" 1
693 1 87 CYS HA 1 92 ILE H . . 5.000 3.798 3.299 4.423 . 0 0 "[ . 1 . 2]" 1
694 1 87 CYS HB3 1 92 ILE MD . . 5.000 3.861 3.246 5.007 0.007 17 0 "[ . 1 . 2]" 1
695 1 87 CYS HA 1 92 ILE MD . . 5.000 2.425 1.849 4.423 . 0 0 "[ . 1 . 2]" 1
696 1 87 CYS HB2 1 92 ILE MG . . 5.000 3.924 2.504 5.001 0.001 19 0 "[ . 1 . 2]" 1
697 1 87 CYS HB2 1 94 VAL MG1 . . 3.300 2.868 1.964 3.855 0.555 20 1 "[ . 1 . +]" 1
698 1 87 CYS HB3 1 100 ALA MB . . 5.000 3.825 2.691 4.626 . 0 0 "[ . 1 . 2]" 1
699 1 87 CYS HA 1 104 ILE MD . . 5.000 3.739 3.190 4.695 . 0 0 "[ . 1 . 2]" 1
700 1 87 CYS H 1 104 ILE MD . . 5.000 3.530 2.868 3.981 . 0 0 "[ . 1 . 2]" 1
701 1 88 VAL H 1 88 VAL QG . . 2.700 2.177 1.890 2.681 . 0 0 "[ . 1 . 2]" 1
702 1 88 VAL H 1 88 VAL HB . . 3.300 2.417 2.068 2.660 . 0 0 "[ . 1 . 2]" 1
703 1 88 VAL HB 1 89 HIS H . . 3.300 2.979 2.628 3.433 0.133 19 0 "[ . 1 . 2]" 1
704 1 89 HIS HB2 1 89 HIS HD2 . . 3.300 2.823 2.718 3.197 . 0 0 "[ . 1 . 2]" 1
705 1 90 GLN HB3 1 92 ILE MD . . 3.300 2.036 1.792 3.109 . 0 0 "[ . 1 . 2]" 1
706 1 91 ARG H 1 92 ILE MD . . 5.000 3.977 3.570 4.309 . 0 0 "[ . 1 . 2]" 1
707 1 91 ARG H 1 92 ILE HB . . 5.000 4.574 4.292 4.883 . 0 0 "[ . 1 . 2]" 1
708 1 92 ILE H 1 92 ILE MD . . 3.300 3.215 2.957 3.310 0.010 9 0 "[ . 1 . 2]" 1
709 1 92 ILE H 1 92 ILE HB . . 2.700 2.397 2.228 2.592 . 0 0 "[ . 1 . 2]" 1
710 1 92 ILE MG 1 94 VAL QG . . 5.000 2.565 1.603 3.182 . 0 0 "[ . 1 . 2]" 1
711 1 92 ILE MG 1 103 LYS QB . . 5.000 3.239 2.363 3.946 . 0 0 "[ . 1 . 2]" 1
712 1 94 VAL HB 1 96 ASP H . . 5.000 3.784 2.684 4.430 . 0 0 "[ . 1 . 2]" 1
713 1 94 VAL HB 1 100 ALA MB . . 5.000 3.028 2.412 3.463 . 0 0 "[ . 1 . 2]" 1
714 1 94 VAL HB 1 100 ALA H . . 5.000 4.534 3.194 5.002 0.002 6 0 "[ . 1 . 2]" 1
715 1 94 VAL HB 1 100 ALA HA . . 5.000 4.406 3.365 4.938 . 0 0 "[ . 1 . 2]" 1
716 1 94 VAL MG1 1 100 ALA HA . . 2.700 2.442 1.772 2.702 0.002 18 0 "[ . 1 . 2]" 1
717 1 94 VAL MG1 1 100 ALA MB . . 5.000 2.116 1.754 3.287 . 0 0 "[ . 1 . 2]" 1
718 1 100 ALA MB 1 104 ILE MD . . 5.000 4.097 3.257 4.655 . 0 0 "[ . 1 . 2]" 1
719 1 100 ALA HA 1 104 ILE MD . . 5.000 4.954 4.682 5.013 0.013 17 0 "[ . 1 . 2]" 1
720 1 101 LEU HA 1 101 LEU QD . . 2.700 2.034 1.863 2.392 . 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 146
_Distance_constraint_stats_list.Viol_count 1015
_Distance_constraint_stats_list.Viol_total 1403.423
_Distance_constraint_stats_list.Viol_max 2.008
_Distance_constraint_stats_list.Viol_rms 0.1768
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0240
_Distance_constraint_stats_list.Viol_average_violations_only 0.0691
_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 9 SER 0.334 0.055 18 0 "[ . 1 . 2]"
1 10 GLY 0.278 0.060 18 0 "[ . 1 . 2]"
1 11 GLY 0.183 0.040 11 0 "[ . 1 . 2]"
1 12 GLU 0.202 0.031 11 0 "[ . 1 . 2]"
1 13 LEU 0.473 0.055 18 0 "[ . 1 . 2]"
1 14 ASP 0.278 0.060 18 0 "[ . 1 . 2]"
1 15 LYS 0.183 0.040 11 0 "[ . 1 . 2]"
1 16 TRP 0.202 0.031 11 0 "[ . 1 . 2]"
1 17 GLU 0.139 0.031 19 0 "[ . 1 . 2]"
1 19 ILE 0.219 0.026 8 0 "[ . 1 . 2]"
1 20 ARG 0.160 0.049 13 0 "[ . 1 . 2]"
1 21 LEU 0.066 0.011 4 0 "[ . 1 . 2]"
1 27 LYS 0.066 0.011 4 0 "[ . 1 . 2]"
1 29 TYR 0.219 0.026 8 0 "[ . 1 . 2]"
1 30 LYS 0.630 0.059 11 0 "[ . 1 . 2]"
1 31 LEU 0.102 0.015 3 0 "[ . 1 . 2]"
1 32 LYS 0.238 0.029 19 0 "[ . 1 . 2]"
1 33 HIS 0.206 0.036 13 0 "[ . 1 . 2]"
1 34 ILE 0.749 0.059 11 0 "[ . 1 . 2]"
1 35 VAL 0.117 0.015 3 0 "[ . 1 . 2]"
1 36 TRP 0.483 0.035 8 0 "[ . 1 . 2]"
1 37 ALA 0.229 0.036 13 0 "[ . 1 . 2]"
1 38 SER 0.205 0.019 10 0 "[ . 1 . 2]"
1 39 ARG 0.081 0.015 17 0 "[ . 1 . 2]"
1 40 GLU 0.724 0.035 8 0 "[ . 1 . 2]"
1 41 LEU 0.023 0.006 18 0 "[ . 1 . 2]"
1 42 GLU 0.086 0.019 10 0 "[ . 1 . 2]"
1 43 ARG 0.066 0.015 17 0 "[ . 1 . 2]"
1 44 PHE 0.479 0.034 3 0 "[ . 1 . 2]"
1 48 PRO 0.111 0.022 19 0 "[ . 1 . 2]"
1 49 GLY 0.078 0.016 19 0 "[ . 1 . 2]"
1 51 LEU 0.111 0.022 19 0 "[ . 1 . 2]"
1 52 GLU 0.078 0.016 19 0 "[ . 1 . 2]"
1 53 THR 0.083 0.013 17 0 "[ . 1 . 2]"
1 54 SER 0.206 0.024 19 0 "[ . 1 . 2]"
1 55 GLU 0.042 0.010 5 0 "[ . 1 . 2]"
1 56 GLY 0.179 0.023 18 0 "[ . 1 . 2]"
1 57 CYS 0.110 0.016 4 0 "[ . 1 . 2]"
1 58 ARG 0.248 0.024 19 0 "[ . 1 . 2]"
1 59 GLN 0.172 0.022 16 0 "[ . 1 . 2]"
1 60 ILE 0.470 0.052 9 0 "[ . 1 . 2]"
1 61 LEU 0.845 0.081 6 0 "[ . 1 . 2]"
1 62 GLY 0.041 0.013 7 0 "[ . 1 . 2]"
1 63 GLN 0.130 0.022 16 0 "[ . 1 . 2]"
1 64 LEU 0.314 0.052 9 0 "[ . 1 . 2]"
1 65 GLN 0.795 0.081 6 0 "[ . 1 . 2]"
1 66 PRO 0.265 0.117 20 0 "[ . 1 . 2]"
1 68 LEU 0.337 0.055 20 0 "[ . 1 . 2]"
1 69 GLN 0.265 0.117 20 0 "[ . 1 . 2]"
1 71 GLY 0.337 0.055 20 0 "[ . 1 . 2]"
1 72 SER 1.170 0.100 16 0 "[ . 1 . 2]"
1 73 GLU 0.637 0.054 17 0 "[ . 1 . 2]"
1 74 GLU 0.004 0.004 20 0 "[ . 1 . 2]"
1 75 LEU 1.329 0.100 16 0 "[ . 1 . 2]"
1 76 ARG 0.215 0.030 17 0 "[ . 1 . 2]"
1 77 SER 1.034 0.054 17 0 "[ . 1 . 2]"
1 78 LEU 0.095 0.027 17 0 "[ . 1 . 2]"
1 79 TYR 0.221 0.019 19 0 "[ . 1 . 2]"
1 80 ASN 0.574 0.047 14 0 "[ . 1 . 2]"
1 81 THR 0.446 0.032 14 0 "[ . 1 . 2]"
1 82 ILE 0.189 0.035 14 0 "[ . 1 . 2]"
1 83 ALA 0.196 0.019 19 0 "[ . 1 . 2]"
1 84 VAL 0.562 0.047 14 0 "[ . 1 . 2]"
1 85 LEU 0.132 0.022 19 0 "[ . 1 . 2]"
1 86 TYR 0.156 0.035 14 0 "[ . 1 . 2]"
1 87 CYS 0.139 0.017 19 0 "[ . 1 . 2]"
1 88 VAL 0.196 0.019 17 0 "[ . 1 . 2]"
1 89 HIS 0.082 0.022 19 0 "[ . 1 . 2]"
1 90 GLN 0.058 0.009 13 0 "[ . 1 . 2]"
1 95 LYS 0.047 0.009 4 0 "[ . 1 . 2]"
1 96 ASP 59.257 2.008 1 20 [+********-**********]
1 97 THR 0.144 0.049 13 0 "[ . 1 . 2]"
1 98 LYS 0.028 0.007 4 0 "[ . 1 . 2]"
1 99 GLU 59.270 2.008 1 20 [+********-**********]
1 100 ALA 0.050 0.024 4 0 "[ . 1 . 2]"
1 101 LEU 0.079 0.010 8 0 "[ . 1 . 2]"
1 102 ASP 0.043 0.010 9 0 "[ . 1 . 2]"
1 103 LYS 0.068 0.022 17 0 "[ . 1 . 2]"
1 104 ILE 0.006 0.002 18 0 "[ . 1 . 2]"
1 105 GLU 0.050 0.008 17 0 "[ . 1 . 2]"
1 106 GLU 0.016 0.010 9 0 "[ . 1 . 2]"
1 107 GLU 0.010 0.005 9 0 "[ . 1 . 2]"
1 108 GLN 0.004 0.001 12 0 "[ . 1 . 2]"
1 109 ASN 0.007 0.002 19 0 "[ . 1 . 2]"
1 110 LYS 0.005 0.001 8 0 "[ . 1 . 2]"
1 111 SER 0.001 0.001 7 0 "[ . 1 . 2]"
1 112 LYS 0.003 0.001 3 0 "[ . 1 . 2]"
1 113 LYS 0.005 0.002 19 0 "[ . 1 . 2]"
1 114 LYS 0.007 0.002 6 0 "[ . 1 . 2]"
1 115 ALA 0.006 0.001 19 0 "[ . 1 . 2]"
1 116 GLN 0.028 0.013 12 0 "[ . 1 . 2]"
1 117 GLN 0.083 0.049 12 0 "[ . 1 . 2]"
1 118 ALA 0.470 0.190 6 0 "[ . 1 . 2]"
1 119 ALA 0.006 0.001 19 0 "[ . 1 . 2]"
1 120 ALA 0.026 0.013 12 0 "[ . 1 . 2]"
1 121 ASP 0.081 0.049 12 0 "[ . 1 . 2]"
1 122 THR 0.467 0.190 6 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 9 SER O 1 13 LEU H . . 2.000 1.910 1.799 2.010 0.010 16 0 "[ . 1 . 2]" 2
2 1 9 SER O 1 13 LEU N . 2.700 3.000 2.718 2.645 2.899 0.055 18 0 "[ . 1 . 2]" 2
3 1 10 GLY O 1 14 ASP H . . 2.000 1.984 1.821 2.060 0.060 18 0 "[ . 1 . 2]" 2
4 1 10 GLY O 1 14 ASP N . 2.700 3.000 2.906 2.665 3.014 0.035 17 0 "[ . 1 . 2]" 2
5 1 11 GLY O 1 15 LYS H . . 2.000 1.976 1.796 2.040 0.040 11 0 "[ . 1 . 2]" 2
6 1 11 GLY O 1 15 LYS N . 2.700 3.000 2.914 2.780 3.001 0.001 10 0 "[ . 1 . 2]" 2
7 1 12 GLU O 1 16 TRP H . . 2.000 1.852 1.776 1.981 0.024 18 0 "[ . 1 . 2]" 2
8 1 12 GLU O 1 16 TRP N . 2.700 3.000 2.703 2.669 2.769 0.031 11 0 "[ . 1 . 2]" 2
9 1 13 LEU O 1 17 GLU H . . 2.000 1.984 1.854 2.031 0.031 19 0 "[ . 1 . 2]" 2
10 1 13 LEU O 1 17 GLU N . 2.700 3.000 2.797 2.695 2.915 0.005 7 0 "[ . 1 . 2]" 2
11 1 19 ILE O 1 29 TYR H . . 2.000 2.011 2.002 2.026 0.026 8 0 "[ . 1 . 2]" 2
12 1 19 ILE O 1 29 TYR N . 2.700 3.000 2.845 2.797 2.916 . 0 0 "[ . 1 . 2]" 2
13 1 21 LEU H 1 27 LYS O . . 2.000 1.913 1.789 2.003 0.011 4 0 "[ . 1 . 2]" 2
14 1 21 LEU N 1 27 LYS O . 2.700 3.000 2.828 2.691 2.968 0.009 13 0 "[ . 1 . 2]" 2
15 1 30 LYS O 1 34 ILE H . . 2.000 2.031 2.007 2.059 0.059 11 0 "[ . 1 . 2]" 2
16 1 30 LYS O 1 34 ILE N . 2.700 3.000 2.976 2.950 2.999 . 0 0 "[ . 1 . 2]" 2
17 1 31 LEU O 1 35 VAL H . . 2.000 1.827 1.788 1.962 0.012 14 0 "[ . 1 . 2]" 2
18 1 31 LEU O 1 35 VAL N . 2.700 3.000 2.722 2.685 2.908 0.015 3 0 "[ . 1 . 2]" 2
19 1 32 LYS O 1 36 TRP H . . 2.000 2.012 2.003 2.029 0.029 19 0 "[ . 1 . 2]" 2
20 1 32 LYS O 1 36 TRP N . 2.700 3.000 2.913 2.817 2.967 . 0 0 "[ . 1 . 2]" 2
21 1 33 HIS O 1 37 ALA H . . 2.000 1.797 1.764 1.884 0.036 13 0 "[ . 1 . 2]" 2
22 1 33 HIS O 1 37 ALA N . 2.700 3.000 2.767 2.693 2.862 0.007 20 0 "[ . 1 . 2]" 2
23 1 34 ILE O 1 38 SER H . . 2.000 1.823 1.784 1.998 0.016 19 0 "[ . 1 . 2]" 2
24 1 34 ILE O 1 38 SER N . 2.700 3.000 2.743 2.686 2.945 0.014 7 0 "[ . 1 . 2]" 2
25 1 35 VAL O 1 39 ARG H . . 2.000 1.906 1.807 2.004 0.004 10 0 "[ . 1 . 2]" 2
26 1 35 VAL O 1 39 ARG N . 2.700 3.000 2.811 2.692 2.945 0.008 9 0 "[ . 1 . 2]" 2
27 1 36 TRP O 1 40 GLU H . . 2.000 2.012 2.001 2.035 0.035 8 0 "[ . 1 . 2]" 2
28 1 36 TRP O 1 40 GLU N . 2.700 3.000 2.944 2.902 2.990 . 0 0 "[ . 1 . 2]" 2
29 1 37 ALA O 1 41 LEU H . . 2.000 1.883 1.794 2.005 0.006 18 0 "[ . 1 . 2]" 2
30 1 37 ALA O 1 41 LEU N . 2.700 3.000 2.826 2.700 2.937 . 0 0 "[ . 1 . 2]" 2
31 1 38 SER O 1 42 GLU H . . 2.000 1.939 1.795 2.019 0.019 10 0 "[ . 1 . 2]" 2
32 1 38 SER O 1 42 GLU N . 2.700 3.000 2.921 2.770 2.997 . 0 0 "[ . 1 . 2]" 2
33 1 39 ARG O 1 43 ARG H . . 2.000 1.992 1.880 2.015 0.015 17 0 "[ . 1 . 2]" 2
34 1 39 ARG O 1 43 ARG N . 2.700 3.000 2.847 2.705 2.935 . 0 0 "[ . 1 . 2]" 2
35 1 40 GLU O 1 44 PHE H . . 2.000 2.013 2.000 2.034 0.034 3 0 "[ . 1 . 2]" 2
36 1 40 GLU O 1 44 PHE N . 2.700 3.000 2.694 2.670 2.766 0.030 17 0 "[ . 1 . 2]" 2
37 1 48 PRO O 1 51 LEU H . . 2.000 1.937 1.784 2.022 0.022 19 0 "[ . 1 . 2]" 2
38 1 48 PRO O 1 51 LEU N . 2.700 3.000 2.838 2.702 2.965 . 0 0 "[ . 1 . 2]" 2
39 1 49 GLY O 1 52 GLU H . . 2.000 1.928 1.786 2.016 0.016 19 0 "[ . 1 . 2]" 2
40 1 49 GLY O 1 52 GLU N . 2.700 3.000 2.872 2.728 2.976 . 0 0 "[ . 1 . 2]" 2
41 1 53 THR OG1 1 56 GLY H . . 2.000 1.987 1.932 2.008 0.008 15 0 "[ . 1 . 2]" 2
42 1 53 THR OG1 1 56 GLY N . 2.700 3.000 2.920 2.812 2.985 . 0 0 "[ . 1 . 2]" 2
43 1 53 THR O 1 57 CYS H . . 2.000 1.947 1.799 2.013 0.013 17 0 "[ . 1 . 2]" 2
44 1 53 THR O 1 57 CYS N . 2.700 3.000 2.911 2.758 2.983 . 0 0 "[ . 1 . 2]" 2
45 1 54 SER O 1 58 ARG H . . 2.000 2.010 2.003 2.024 0.024 19 0 "[ . 1 . 2]" 2
46 1 54 SER O 1 58 ARG N . 2.700 3.000 2.916 2.867 2.973 . 0 0 "[ . 1 . 2]" 2
47 1 55 GLU O 1 59 GLN H . . 2.000 1.875 1.797 2.002 0.003 11 0 "[ . 1 . 2]" 2
48 1 55 GLU O 1 59 GLN N . 2.700 3.000 2.763 2.690 2.899 0.010 5 0 "[ . 1 . 2]" 2
49 1 56 GLY O 1 60 ILE H . . 2.000 1.983 1.812 2.023 0.023 18 0 "[ . 1 . 2]" 2
50 1 56 GLY O 1 60 ILE N . 2.700 3.000 2.953 2.809 3.000 0.000 14 0 "[ . 1 . 2]" 2
51 1 57 CYS O 1 61 LEU H . . 2.000 1.900 1.784 2.008 0.016 4 0 "[ . 1 . 2]" 2
52 1 57 CYS O 1 61 LEU N . 2.700 3.000 2.875 2.740 2.994 . 0 0 "[ . 1 . 2]" 2
53 1 58 ARG O 1 62 GLY H . . 2.000 1.956 1.799 2.013 0.013 7 0 "[ . 1 . 2]" 2
54 1 58 ARG O 1 62 GLY N . 2.700 3.000 2.868 2.728 2.962 . 0 0 "[ . 1 . 2]" 2
55 1 59 GLN O 1 63 GLN H . . 2.000 1.992 1.913 2.010 0.010 16 0 "[ . 1 . 2]" 2
56 1 59 GLN O 1 63 GLN N . 2.700 3.000 2.710 2.678 2.760 0.022 16 0 "[ . 1 . 2]" 2
57 1 60 ILE O 1 64 LEU H . . 2.000 2.016 2.003 2.052 0.052 9 0 "[ . 1 . 2]" 2
58 1 60 ILE O 1 64 LEU N . 2.700 3.000 2.878 2.720 2.945 . 0 0 "[ . 1 . 2]" 2
59 1 61 LEU O 1 65 GLN H . . 2.000 1.996 1.798 2.052 0.052 15 0 "[ . 1 . 2]" 2
60 1 61 LEU O 1 65 GLN N . 2.700 3.000 2.679 2.619 2.744 0.081 6 0 "[ . 1 . 2]" 2
61 1 66 PRO O 1 69 GLN H . . 2.000 2.002 1.784 2.117 0.117 20 0 "[ . 1 . 2]" 2
62 1 66 PRO O 1 69 GLN N . 2.700 3.000 2.795 2.747 2.902 . 0 0 "[ . 1 . 2]" 2
63 1 68 LEU O 1 71 GLY H . . 2.000 2.013 1.999 2.055 0.055 20 0 "[ . 1 . 2]" 2
64 1 68 LEU O 1 71 GLY N . 2.700 3.000 3.000 2.987 3.020 0.020 16 0 "[ . 1 . 2]" 2
65 1 72 SER OG 1 75 LEU H . . 2.000 2.058 2.020 2.100 0.100 16 0 "[ . 1 . 2]" 2
66 1 72 SER OG 1 75 LEU N . 2.700 3.500 3.041 3.001 3.089 . 0 0 "[ . 1 . 2]" 2
67 1 72 SER O 1 76 ARG H . . 2.000 1.831 1.798 1.940 0.002 9 0 "[ . 1 . 2]" 2
68 1 72 SER O 1 76 ARG N . 2.700 3.000 2.763 2.734 2.889 . 0 0 "[ . 1 . 2]" 2
69 1 73 GLU O 1 77 SER H . . 2.000 2.032 2.010 2.054 0.054 17 0 "[ . 1 . 2]" 2
70 1 74 GLU O 1 78 LEU N . 2.700 3.000 2.927 2.832 3.004 0.004 20 0 "[ . 1 . 2]" 2
71 1 75 LEU O 1 79 TYR H . . 2.000 2.007 1.974 2.018 0.018 17 0 "[ . 1 . 2]" 2
72 1 75 LEU O 1 79 TYR N . 2.700 3.000 2.948 2.914 2.963 . 0 0 "[ . 1 . 2]" 2
73 1 76 ARG O 1 80 ASN H . . 2.000 1.995 1.801 2.030 0.030 17 0 "[ . 1 . 2]" 2
74 1 76 ARG O 1 80 ASN N . 2.700 3.000 2.931 2.737 2.970 . 0 0 "[ . 1 . 2]" 2
75 1 77 SER O 1 81 THR H . . 2.000 2.020 2.007 2.032 0.032 14 0 "[ . 1 . 2]" 2
76 1 77 SER O 1 81 THR N . 2.700 3.000 2.966 2.943 2.998 . 0 0 "[ . 1 . 2]" 2
77 1 78 LEU O 1 82 ILE H . . 2.000 1.852 1.773 2.005 0.027 17 0 "[ . 1 . 2]" 2
78 1 78 LEU O 1 82 ILE N . 2.700 3.000 2.794 2.729 2.926 . 0 0 "[ . 1 . 2]" 2
79 1 79 TYR O 1 83 ALA H . . 2.000 1.957 1.798 2.019 0.019 19 0 "[ . 1 . 2]" 2
80 1 79 TYR O 1 83 ALA N . 2.700 3.000 2.892 2.715 2.977 . 0 0 "[ . 1 . 2]" 2
81 1 80 ASN O 1 84 VAL H . . 2.000 2.015 1.929 2.047 0.047 14 0 "[ . 1 . 2]" 2
82 1 80 ASN O 1 84 VAL N . 2.700 3.000 2.966 2.884 2.996 . 0 0 "[ . 1 . 2]" 2
83 1 81 THR O 1 85 LEU H . . 2.000 1.938 1.796 2.007 0.007 19 0 "[ . 1 . 2]" 2
84 1 81 THR O 1 85 LEU N . 2.700 3.000 2.830 2.693 2.936 0.007 11 0 "[ . 1 . 2]" 2
85 1 82 ILE O 1 86 TYR H . . 2.000 1.939 1.799 2.035 0.035 14 0 "[ . 1 . 2]" 2
86 1 82 ILE O 1 86 TYR N . 2.700 3.000 2.833 2.730 2.924 . 0 0 "[ . 1 . 2]" 2
87 1 83 ALA O 1 87 CYS H . . 2.000 1.993 1.805 2.017 0.017 19 0 "[ . 1 . 2]" 2
88 1 83 ALA O 1 87 CYS N . 2.700 3.000 2.912 2.702 2.971 . 0 0 "[ . 1 . 2]" 2
89 1 84 VAL O 1 88 VAL H . . 2.000 2.009 1.984 2.019 0.019 17 0 "[ . 1 . 2]" 2
90 1 84 VAL O 1 88 VAL N . 2.700 3.000 2.933 2.871 2.973 . 0 0 "[ . 1 . 2]" 2
91 1 85 LEU O 1 89 HIS H . . 2.000 1.951 1.778 2.016 0.022 19 0 "[ . 1 . 2]" 2
92 1 85 LEU O 1 89 HIS N . 2.700 3.000 2.841 2.700 2.934 0.000 10 0 "[ . 1 . 2]" 2
93 1 86 TYR O 1 90 GLN H . . 2.000 1.988 1.857 2.009 0.009 13 0 "[ . 1 . 2]" 2
94 1 86 TYR O 1 90 GLN N . 2.700 3.000 2.805 2.692 2.959 0.008 16 0 "[ . 1 . 2]" 2
95 1 20 ARG H 1 95 LYS O . . 2.000 1.846 1.791 2.009 0.009 4 0 "[ . 1 . 2]" 2
96 1 20 ARG N 1 95 LYS O . 2.700 3.000 2.789 2.697 2.977 0.003 15 0 "[ . 1 . 2]" 2
97 1 20 ARG O 1 97 THR H . . 2.000 1.951 1.796 2.049 0.049 13 0 "[ . 1 . 2]" 2
98 1 20 ARG O 1 97 THR N . 2.700 3.000 2.792 2.693 2.937 0.007 3 0 "[ . 1 . 2]" 2
99 1 96 ASP OD1 1 99 GLU H . . 2.000 3.592 3.044 4.008 2.008 1 20 [+*****-*************] 2
100 1 96 ASP OD1 1 99 GLU N . 2.700 3.000 4.369 3.854 4.850 1.850 1 20 [+********-**********] 2
101 1 96 ASP O 1 100 ALA H . . 2.000 1.945 1.798 2.024 0.024 4 0 "[ . 1 . 2]" 2
102 1 96 ASP O 1 100 ALA N . 2.700 3.000 2.861 2.698 2.993 0.002 13 0 "[ . 1 . 2]" 2
103 1 97 THR O 1 101 LEU H . . 2.000 1.946 1.797 2.010 0.010 8 0 "[ . 1 . 2]" 2
104 1 97 THR O 1 101 LEU N . 2.700 3.000 2.883 2.700 2.978 0.000 5 0 "[ . 1 . 2]" 2
105 1 98 LYS O 1 102 ASP H . . 2.000 1.885 1.795 2.002 0.005 17 0 "[ . 1 . 2]" 2
106 1 98 LYS O 1 102 ASP N . 2.700 3.000 2.771 2.693 2.934 0.007 4 0 "[ . 1 . 2]" 2
107 1 99 GLU O 1 103 LYS H . . 2.000 1.842 1.797 1.964 0.003 20 0 "[ . 1 . 2]" 2
108 1 99 GLU O 1 103 LYS N . 2.700 3.000 2.703 2.678 2.770 0.022 17 0 "[ . 1 . 2]" 2
109 1 100 ALA O 1 104 ILE H . . 2.000 1.893 1.799 2.002 0.002 18 0 "[ . 1 . 2]" 2
110 1 100 ALA O 1 104 ILE N . 2.700 3.000 2.861 2.767 2.988 . 0 0 "[ . 1 . 2]" 2
111 1 101 LEU O 1 105 GLU H . . 2.000 1.858 1.796 1.988 0.004 17 0 "[ . 1 . 2]" 2
112 1 101 LEU O 1 105 GLU N . 2.700 3.000 2.733 2.692 2.922 0.008 17 0 "[ . 1 . 2]" 2
113 1 102 ASP O 1 106 GLU H . . 2.000 1.874 1.790 1.999 0.010 9 0 "[ . 1 . 2]" 2
114 1 102 ASP O 1 106 GLU N . 2.700 3.000 2.753 2.696 2.876 0.004 17 0 "[ . 1 . 2]" 2
115 1 103 LYS O 1 107 GLU H . . 2.000 1.962 1.800 2.005 0.005 9 0 "[ . 1 . 2]" 2
116 1 103 LYS O 1 107 GLU N . 2.700 3.000 2.944 2.789 2.998 . 0 0 "[ . 1 . 2]" 2
117 1 104 ILE O 1 108 GLN H . . 2.000 1.869 1.799 2.000 0.001 12 0 "[ . 1 . 2]" 2
118 1 104 ILE O 1 108 GLN N . 2.700 3.000 2.841 2.770 2.987 . 0 0 "[ . 1 . 2]" 2
119 1 105 GLU O 1 109 ASN H . . 2.000 1.947 1.800 2.001 0.001 13 0 "[ . 1 . 2]" 2
120 1 105 GLU O 1 109 ASN N . 2.700 3.000 2.896 2.770 2.984 . 0 0 "[ . 1 . 2]" 2
121 1 106 GLU O 1 110 LYS H . . 2.000 1.882 1.800 2.001 0.001 3 0 "[ . 1 . 2]" 2
122 1 106 GLU O 1 110 LYS N . 2.700 3.000 2.851 2.702 2.967 . 0 0 "[ . 1 . 2]" 2
123 1 107 GLU O 1 111 SER H . . 2.000 1.839 1.799 2.000 0.001 7 0 "[ . 1 . 2]" 2
124 1 107 GLU O 1 111 SER N . 2.700 3.000 2.751 2.700 2.878 0.000 10 0 "[ . 1 . 2]" 2
125 1 108 GLN O 1 112 LYS H . . 2.000 1.838 1.799 2.000 0.001 12 0 "[ . 1 . 2]" 2
126 1 108 GLN O 1 112 LYS N . 2.700 3.000 2.807 2.699 2.997 0.001 19 0 "[ . 1 . 2]" 2
127 1 109 ASN O 1 113 LYS H . . 2.000 1.911 1.800 2.002 0.002 19 0 "[ . 1 . 2]" 2
128 1 109 ASN O 1 113 LYS N . 2.700 3.000 2.893 2.742 2.999 . 0 0 "[ . 1 . 2]" 2
129 1 110 LYS O 1 114 LYS H . . 2.000 1.839 1.799 2.001 0.001 8 0 "[ . 1 . 2]" 2
130 1 110 LYS O 1 114 LYS N . 2.700 3.000 2.814 2.718 2.984 . 0 0 "[ . 1 . 2]" 2
131 1 111 SER O 1 115 ALA H . . 2.000 1.859 1.800 2.000 . 0 0 "[ . 1 . 2]" 2
132 1 111 SER O 1 115 ALA N . 2.700 3.000 2.824 2.743 2.949 . 0 0 "[ . 1 . 2]" 2
133 1 112 LYS O 1 116 GLN H . . 2.000 1.868 1.799 2.000 0.001 3 0 "[ . 1 . 2]" 2
134 1 112 LYS O 1 116 GLN N . 2.700 3.000 2.832 2.776 2.947 . 0 0 "[ . 1 . 2]" 2
135 1 113 LYS O 1 117 GLN H . . 2.000 1.830 1.799 1.997 0.001 5 0 "[ . 1 . 2]" 2
136 1 113 LYS O 1 117 GLN N . 2.700 3.000 2.790 2.700 2.908 0.000 1 0 "[ . 1 . 2]" 2
137 1 114 LYS O 1 118 ALA H . . 2.000 1.937 1.806 2.002 0.002 6 0 "[ . 1 . 2]" 2
138 1 114 LYS O 1 118 ALA N . 2.700 3.000 2.887 2.739 2.969 . 0 0 "[ . 1 . 2]" 2
139 1 115 ALA O 1 119 ALA H . . 2.000 1.828 1.799 1.974 0.001 19 0 "[ . 1 . 2]" 2
140 1 115 ALA O 1 119 ALA N . 2.700 3.000 2.793 2.700 2.934 . 0 0 "[ . 1 . 2]" 2
141 1 116 GLN O 1 120 ALA H . . 2.000 1.936 1.800 2.013 0.013 12 0 "[ . 1 . 2]" 2
142 1 116 GLN O 1 120 ALA N . 2.700 3.000 2.837 2.695 2.968 0.005 5 0 "[ . 1 . 2]" 2
143 1 117 GLN O 1 121 ASP H . . 2.000 1.902 1.800 2.049 0.049 12 0 "[ . 1 . 2]" 2
144 1 117 GLN O 1 121 ASP N . 2.700 3.000 2.858 2.699 3.003 0.003 12 0 "[ . 1 . 2]" 2
145 1 118 ALA O 1 122 THR H . . 2.000 1.920 1.801 2.123 0.123 6 0 "[ . 1 . 2]" 2
146 1 118 ALA O 1 122 THR N . 2.700 3.000 2.776 2.510 2.989 0.190 6 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 6
_Distance_constraint_stats_list.Viol_total 0.764
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0021
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0064
_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 14 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 CYS 0.038 0.013 9 0 "[ . 1 . 2]"
1 91 ARG 0.038 0.013 9 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 14 ASP O 1 18 LYS N . 2.700 . 3.706 2.874 4.219 . 0 0 "[ . 1 . 2]" 3
2 1 19 ILE N 1 29 TYR O . 2.700 . 5.819 5.304 6.239 . 0 0 "[ . 1 . 2]" 3
3 1 73 GLU O 1 77 SER N . 2.700 . 3.000 2.961 3.037 . 0 0 "[ . 1 . 2]" 3
4 1 87 CYS O 1 91 ARG N . 2.700 . 2.750 2.687 2.909 0.013 9 0 "[ . 1 . 2]" 3
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