NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
379781 |
1i42   |
5155 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1i42
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 739
_Distance_constraint_stats_list.Viol_count 1028
_Distance_constraint_stats_list.Viol_total 2013.809
_Distance_constraint_stats_list.Viol_max 5.289
_Distance_constraint_stats_list.Viol_rms 0.1802
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0273
_Distance_constraint_stats_list.Viol_average_violations_only 0.1959
_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 LYS 0.202 0.065 5 0 "[ . 1]"
1 2 ALA 0.582 0.146 3 0 "[ . 1]"
1 3 SER 0.661 0.119 4 0 "[ . 1]"
1 4 SER 0.653 0.102 10 0 "[ . 1]"
1 5 SER 0.553 0.119 4 0 "[ . 1]"
1 6 ILE 1.226 0.102 10 0 "[ . 1]"
1 7 LEU 0.422 0.078 5 0 "[ . 1]"
1 8 ILE 0.539 0.093 5 0 "[ . 1]"
1 9 ASN 0.302 0.075 1 0 "[ . 1]"
1 10 GLU 0.174 0.053 5 0 "[ . 1]"
1 11 ALA 0.000 0.000 . 0 "[ . 1]"
1 12 GLU 0.256 0.075 1 0 "[ . 1]"
1 13 PRO 0.250 0.127 4 0 "[ . 1]"
1 14 THR 0.712 0.127 4 0 "[ . 1]"
1 15 THR 0.662 0.120 5 0 "[ . 1]"
1 16 ASN 0.140 0.049 9 0 "[ . 1]"
1 17 ILE 3.152 0.264 5 0 "[ . 1]"
1 18 GLN 0.082 0.042 5 0 "[ . 1]"
1 19 ILE 0.439 0.118 4 0 "[ . 1]"
1 20 ARG 0.128 0.050 1 0 "[ . 1]"
1 21 LEU 1.901 0.268 5 0 "[ . 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 23 ASP 1.302 0.197 3 0 "[ . 1]"
1 24 GLY 1.129 0.102 8 0 "[ . 1]"
1 25 GLY 0.020 0.008 4 0 "[ . 1]"
1 26 ARG 0.270 0.056 8 0 "[ . 1]"
1 27 LEU 23.034 1.672 1 10 [+********-]
1 28 VAL 4.911 0.825 6 4 "[ - *+ * 1]"
1 29 GLN 0.299 0.043 5 0 "[ . 1]"
1 30 LYS 4.365 0.825 6 4 "[ - *+ * 1]"
1 31 PHE 1.661 0.120 5 0 "[ . 1]"
1 32 ASN 0.376 0.069 4 0 "[ . 1]"
1 33 HIS 6.700 0.834 7 4 "[ * . + *-]"
1 34 SER 0.421 0.039 4 0 "[ . 1]"
1 35 HIS 12.099 0.856 4 6 "[** +. * *-]"
1 36 ARG 16.129 1.816 1 10 [+*********]
1 37 ILE 6.316 0.691 10 3 "[ - .* +]"
1 38 SER 7.284 0.883 5 7 "[* **+ *-*1]"
1 39 ASP 0.384 0.135 10 0 "[ . 1]"
1 40 ILE 0.554 0.051 5 0 "[ . 1]"
1 41 ARG 1.234 0.063 6 0 "[ . 1]"
1 42 LEU 13.052 0.883 5 10 [*-**+*****]
1 43 PHE 24.616 1.672 1 10 [+********-]
1 44 ILE 2.717 0.204 8 0 "[ . 1]"
1 45 VAL 0.969 0.068 6 0 "[ . 1]"
1 46 ASP 0.537 0.083 2 0 "[ . 1]"
1 47 ALA 0.895 0.171 4 0 "[ . 1]"
1 48 ARG 1.063 0.138 4 0 "[ . 1]"
1 49 PRO 0.455 0.171 4 0 "[ . 1]"
1 50 ALA 0.332 0.051 8 0 "[ . 1]"
1 51 MET 14.098 1.848 4 10 [**-+******]
1 52 ALA 0.940 0.098 5 0 "[ . 1]"
1 53 ALA 3.511 0.231 5 0 "[ . 1]"
1 54 THR 10.886 1.143 6 9 "[*** -+****]"
1 55 SER 9.990 1.143 6 9 "[*** -+****]"
1 56 PHE 1.121 0.119 1 0 "[ . 1]"
1 57 VAL 13.714 1.848 4 10 [**-+******]
1 58 LEU 1.117 0.285 1 0 "[ . 1]"
1 59 MET 0.460 0.083 6 0 "[ . 1]"
1 60 THR 0.490 0.078 6 0 "[ . 1]"
1 61 THR 11.976 1.523 3 10 [**+****-**]
1 62 PHE 1.474 0.114 2 0 "[ . 1]"
1 63 PRO 2.940 0.367 10 0 "[ . 1]"
1 64 ASN 2.948 0.367 10 0 "[ . 1]"
1 65 LYS 11.767 1.523 3 10 [**+****-**]
1 66 GLU 1.939 0.175 6 0 "[ . 1]"
1 67 LEU 0.281 0.065 4 0 "[ . 1]"
1 68 ALA 1.103 0.245 9 0 "[ . 1]"
1 69 ASP 1.459 0.245 9 0 "[ . 1]"
1 70 GLU 32.350 5.289 1 10 [+********-]
1 71 ASN 0.378 0.143 10 0 "[ . 1]"
1 72 GLN 0.333 0.087 10 0 "[ . 1]"
1 73 THR 7.667 0.763 7 10 [***-**+***]
1 74 LEU 32.173 5.289 1 10 [+********-]
1 75 LYS 1.460 0.135 7 0 "[ . 1]"
1 76 GLU 0.363 0.077 3 0 "[ . 1]"
1 77 ALA 0.442 0.089 2 0 "[ . 1]"
1 78 ASN 0.072 0.031 3 0 "[ . 1]"
1 79 LEU 0.036 0.021 2 0 "[ . 1]"
1 80 LEU 16.590 1.816 1 10 [+******-**]
1 81 ASN 1.900 0.182 2 0 "[ . 1]"
1 82 ALA 14.465 0.840 10 10 [******-**+]
1 83 VAL 7.445 0.769 4 10 [***+*****-]
1 84 ILE 5.750 0.840 10 8 "[* ***-**+]"
1 85 VAL 0.309 0.083 6 0 "[ . 1]"
1 86 GLN 0.000 0.000 . 0 "[ . 1]"
1 87 ARG 3.496 0.494 3 0 "[ . 1]"
1 88 LEU 4.791 0.494 3 0 "[ . 1]"
1 89 THR 0.000 0.000 . 0 "[ . 1]"
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 ALA H 1 2 ALA HA 0.000 . 2.800 2.779 2.367 2.946 0.146 3 0 "[ . 1]" 1
2 1 2 ALA H 1 2 ALA MB 0.000 . 3.500 2.450 1.972 2.862 . 0 0 "[ . 1]" 1
3 1 1 LYS QB 1 2 ALA H 0.000 . 3.500 2.524 1.770 3.517 0.017 3 0 "[ . 1]" 1
4 1 1 LYS QG 1 2 ALA H 0.000 . 3.500 2.719 1.769 3.508 0.008 4 0 "[ . 1]" 1
5 1 1 LYS HA 1 2 ALA H 0.000 . 3.500 2.905 2.218 3.565 0.065 5 0 "[ . 1]" 1
6 1 3 SER H 1 3 SER QB 0.000 . 3.500 2.416 1.961 2.885 . 0 0 "[ . 1]" 1
7 1 2 ALA HA 1 3 SER H 0.000 . 3.500 2.356 2.227 2.837 . 0 0 "[ . 1]" 1
8 1 2 ALA MB 1 3 SER H 0.000 . 3.500 3.065 1.877 3.534 0.034 10 0 "[ . 1]" 1
9 1 4 SER H 1 4 SER QB 0.000 . 3.500 2.943 2.067 3.504 0.004 10 0 "[ . 1]" 1
10 1 3 SER HA 1 4 SER H 0.000 . 5.000 3.584 3.577 3.589 . 0 0 "[ . 1]" 1
11 1 3 SER QB 1 4 SER H 0.000 . 5.000 2.338 1.970 2.934 . 0 0 "[ . 1]" 1
12 1 2 ALA MB 1 4 SER H 0.000 . 5.000 3.986 3.158 4.676 . 0 0 "[ . 1]" 1
13 1 4 SER H 1 5 SER H 0.000 . 3.500 2.747 2.632 2.822 . 0 0 "[ . 1]" 1
14 1 4 SER H 1 6 ILE H 0.000 . 3.500 3.565 3.533 3.602 0.102 10 0 "[ . 1]" 1
15 1 5 SER H 1 5 SER QB 0.000 . 3.500 2.677 2.030 3.454 . 0 0 "[ . 1]" 1
16 1 4 SER HA 1 5 SER H 0.000 . 3.500 3.383 3.129 3.478 . 0 0 "[ . 1]" 1
17 1 3 SER HA 1 5 SER H 0.000 . 3.500 3.555 3.516 3.619 0.119 4 0 "[ . 1]" 1
18 1 5 SER HA 1 6 ILE H 0.000 . 5.000 3.092 2.800 3.570 . 0 0 "[ . 1]" 1
19 1 6 ILE H 1 6 ILE HB 0.000 . 3.500 2.868 2.504 3.324 . 0 0 "[ . 1]" 1
20 1 6 ILE H 1 6 ILE QG 0.000 . 5.000 1.704 1.578 1.833 . 0 0 "[ . 1]" 1
21 1 6 ILE H 1 6 ILE MD 0.000 . 5.000 3.285 1.977 3.541 . 0 0 "[ . 1]" 1
22 1 6 ILE H 1 7 LEU H 0.000 . 5.000 4.272 4.209 4.376 . 0 0 "[ . 1]" 1
23 1 7 LEU H 1 7 LEU QD 0.000 . 5.000 2.619 2.481 3.036 . 0 0 "[ . 1]" 1
24 1 7 LEU H 1 7 LEU HG 0.000 . 5.000 4.395 4.094 4.515 . 0 0 "[ . 1]" 1
25 1 7 LEU H 1 7 LEU QB 0.000 . 3.500 2.317 2.207 2.374 . 0 0 "[ . 1]" 1
26 1 6 ILE HA 1 7 LEU H 0.000 . 2.800 2.187 2.142 2.273 . 0 0 "[ . 1]" 1
27 1 6 ILE MG 1 7 LEU H 0.000 . 5.000 3.359 3.195 3.750 . 0 0 "[ . 1]" 1
28 1 7 LEU H 1 8 ILE H 0.000 . 5.000 4.522 4.471 4.587 . 0 0 "[ . 1]" 1
29 1 8 ILE H 1 8 ILE HB 0.000 . 3.500 2.420 1.983 2.864 . 0 0 "[ . 1]" 1
30 1 7 LEU HA 1 8 ILE H 0.000 . 2.800 2.423 2.374 2.479 . 0 0 "[ . 1]" 1
31 1 7 LEU QB 1 8 ILE H 0.000 . 5.000 2.952 2.898 3.015 . 0 0 "[ . 1]" 1
32 1 7 LEU QD 1 8 ILE H 0.000 . 5.000 2.591 2.279 2.876 . 0 0 "[ . 1]" 1
33 1 8 ILE HA 1 9 ASN H 0.000 . 2.800 2.320 2.224 2.382 . 0 0 "[ . 1]" 1
34 1 8 ILE H 1 9 ASN H 0.000 . 5.000 4.606 4.523 4.635 . 0 0 "[ . 1]" 1
35 1 8 ILE MG 1 9 ASN H 0.000 . 5.000 3.152 2.256 3.958 . 0 0 "[ . 1]" 1
36 1 9 ASN H 1 10 GLU H 0.000 . 5.000 4.608 4.431 4.759 . 0 0 "[ . 1]" 1
37 1 9 ASN H 1 9 ASN HD21 0.000 . 5.000 3.064 1.846 4.778 . 0 0 "[ . 1]" 1
38 1 9 ASN H 1 9 ASN HD22 0.000 . 5.000 3.728 3.070 5.070 0.070 2 0 "[ . 1]" 1
39 1 10 GLU H 1 10 GLU HB2 0.000 . 3.500 2.721 2.095 3.553 0.053 5 0 "[ . 1]" 1
40 1 10 GLU H 1 10 GLU QG 0.000 . 5.000 3.320 1.825 4.013 . 0 0 "[ . 1]" 1
41 1 9 ASN HA 1 10 GLU H 0.000 . 2.800 2.250 2.147 2.465 . 0 0 "[ . 1]" 1
42 1 10 GLU H 1 12 GLU H 0.000 . 5.000 4.297 3.744 4.957 . 0 0 "[ . 1]" 1
43 1 10 GLU H 1 11 ALA H 0.000 . 3.500 2.771 2.252 3.453 . 0 0 "[ . 1]" 1
44 1 9 ASN HB3 1 10 GLU H 0.000 . 5.000 3.945 3.069 4.395 . 0 0 "[ . 1]" 1
45 1 9 ASN HB2 1 10 GLU H 0.000 . 5.000 3.498 3.067 4.179 . 0 0 "[ . 1]" 1
46 1 8 ILE MG 1 10 GLU H 0.000 . 5.000 4.596 3.748 5.026 0.026 7 0 "[ . 1]" 1
47 1 10 GLU H 1 11 ALA MB 0.000 . 5.000 4.042 3.715 4.430 . 0 0 "[ . 1]" 1
48 1 11 ALA H 1 11 ALA MB 0.000 . 3.500 2.278 2.064 2.743 . 0 0 "[ . 1]" 1
49 1 10 GLU HB2 1 11 ALA H 0.000 . 5.000 4.157 3.786 4.599 . 0 0 "[ . 1]" 1
50 1 9 ASN HA 1 11 ALA H 0.000 . 5.000 3.913 3.609 4.042 . 0 0 "[ . 1]" 1
51 1 11 ALA H 1 12 GLU H 0.000 . 2.800 2.093 1.662 2.561 . 0 0 "[ . 1]" 1
52 1 10 GLU HA 1 11 ALA H 0.000 . 5.000 3.272 2.844 3.514 . 0 0 "[ . 1]" 1
53 1 12 GLU H 1 12 GLU QB 0.000 . 3.500 2.543 2.078 3.018 . 0 0 "[ . 1]" 1
54 1 12 GLU H 1 12 GLU QG 0.000 . 3.500 2.938 2.285 3.515 0.015 1 0 "[ . 1]" 1
55 1 11 ALA HA 1 12 GLU H 0.000 . 3.500 3.427 3.259 3.499 . 0 0 "[ . 1]" 1
56 1 11 ALA MB 1 12 GLU H 0.000 . 3.500 3.043 2.727 3.358 . 0 0 "[ . 1]" 1
57 1 12 GLU H 1 13 PRO HD3 0.000 . 5.000 4.899 4.808 4.999 . 0 0 "[ . 1]" 1
58 1 12 GLU H 1 13 PRO HD2 0.000 . 5.000 4.869 4.765 4.952 . 0 0 "[ . 1]" 1
59 1 9 ASN HD21 1 12 GLU H 0.000 . 5.000 3.997 2.661 4.873 . 0 0 "[ . 1]" 1
60 1 9 ASN HB3 1 12 GLU H 0.000 . 5.000 4.045 1.802 5.075 0.075 1 0 "[ . 1]" 1
61 1 9 ASN HB2 1 12 GLU H 0.000 . 5.000 3.476 1.806 4.649 . 0 0 "[ . 1]" 1
62 1 9 ASN HD22 1 12 GLU H 0.000 . 5.000 3.839 1.926 5.060 0.060 8 0 "[ . 1]" 1
63 1 10 GLU HA 1 12 GLU H 0.000 . 5.000 4.127 3.546 4.717 . 0 0 "[ . 1]" 1
64 1 14 THR H 1 14 THR HG1 0.000 . 3.500 2.564 2.241 3.118 . 0 0 "[ . 1]" 1
65 1 13 PRO HA 1 14 THR H 0.000 . 2.800 2.242 2.206 2.327 . 0 0 "[ . 1]" 1
66 1 13 PRO QB 1 14 THR H 0.000 . 3.500 3.325 2.976 3.627 0.127 4 0 "[ . 1]" 1
67 1 14 THR HA 1 15 THR H 0.000 . 2.800 2.412 2.329 2.496 . 0 0 "[ . 1]" 1
68 1 14 THR HB 1 15 THR H 0.000 . 3.500 2.852 2.609 3.156 . 0 0 "[ . 1]" 1
69 1 14 THR HG1 1 15 THR H 0.000 . 5.000 2.982 2.533 3.448 . 0 0 "[ . 1]" 1
70 1 15 THR H 1 31 PHE H 0.000 . 3.500 3.566 3.508 3.620 0.120 5 0 "[ . 1]" 1
71 1 15 THR H 1 32 ASN HA 0.000 . 3.500 2.772 2.408 3.086 . 0 0 "[ . 1]" 1
72 1 16 ASN H 1 16 ASN HB3 0.000 . 3.500 2.857 2.384 3.510 0.010 3 0 "[ . 1]" 1
73 1 16 ASN H 1 16 ASN HB2 0.000 . 3.500 3.254 2.697 3.549 0.049 9 0 "[ . 1]" 1
74 1 15 THR HA 1 16 ASN H 0.000 . 2.800 2.260 2.207 2.310 . 0 0 "[ . 1]" 1
75 1 16 ASN H 1 17 ILE H 0.000 . 5.000 4.202 4.155 4.230 . 0 0 "[ . 1]" 1
76 1 16 ASN H 1 17 ILE QG 0.000 . 5.000 4.153 3.834 4.606 . 0 0 "[ . 1]" 1
77 1 16 ASN HA 1 17 ILE H 0.000 . 2.800 2.273 2.260 2.284 . 0 0 "[ . 1]" 1
78 1 16 ASN HB3 1 17 ILE H 0.000 . 5.000 4.381 4.111 4.561 . 0 0 "[ . 1]" 1
79 1 16 ASN HB2 1 17 ILE H 0.000 . 5.000 4.275 3.791 4.652 . 0 0 "[ . 1]" 1
80 1 17 ILE H 1 30 LYS HA 0.000 . 3.500 3.473 3.247 3.523 0.023 4 0 "[ . 1]" 1
81 1 17 ILE H 1 29 GLN H 0.000 . 3.500 3.529 3.506 3.543 0.043 5 0 "[ . 1]" 1
82 1 17 ILE H 1 17 ILE MG 0.000 . 3.500 3.721 3.673 3.764 0.264 5 0 "[ . 1]" 1
83 1 17 ILE H 1 17 ILE MD 0.000 . 5.000 3.369 2.540 4.032 . 0 0 "[ . 1]" 1
84 1 17 ILE H 1 17 ILE QG 0.000 . 5.000 2.325 1.901 2.662 . 0 0 "[ . 1]" 1
85 1 17 ILE H 1 17 ILE HB 0.000 . 3.500 2.421 2.248 2.623 . 0 0 "[ . 1]" 1
86 1 18 GLN H 1 18 GLN QB 0.000 . 3.500 2.384 1.975 2.551 . 0 0 "[ . 1]" 1
87 1 18 GLN H 1 18 GLN QG 0.000 . 5.000 2.544 1.866 4.064 . 0 0 "[ . 1]" 1
88 1 17 ILE HA 1 18 GLN H 0.000 . 2.800 2.229 2.213 2.247 . 0 0 "[ . 1]" 1
89 1 17 ILE H 1 18 GLN H 0.000 . 5.000 4.381 4.359 4.425 . 0 0 "[ . 1]" 1
90 1 17 ILE MG 1 18 GLN H 0.000 . 5.000 2.995 2.885 3.121 . 0 0 "[ . 1]" 1
91 1 18 GLN H 1 84 ILE H 0.000 . 5.000 3.719 3.243 4.076 . 0 0 "[ . 1]" 1
92 1 18 GLN H 1 85 VAL HA 0.000 . 3.500 3.390 3.115 3.520 0.020 9 0 "[ . 1]" 1
93 1 19 ILE H 1 19 ILE MD 0.000 . 5.000 4.270 3.711 4.679 . 0 0 "[ . 1]" 1
94 1 19 ILE H 1 19 ILE QG 0.000 . 5.000 3.333 2.397 3.836 . 0 0 "[ . 1]" 1
95 1 18 GLN QB 1 19 ILE H 0.000 . 5.000 3.082 2.845 3.888 . 0 0 "[ . 1]" 1
96 1 18 GLN HA 1 19 ILE H 0.000 . 2.800 2.267 2.226 2.289 . 0 0 "[ . 1]" 1
97 1 19 ILE H 1 28 VAL HA 0.000 . 3.500 3.370 3.028 3.558 0.058 2 0 "[ . 1]" 1
98 1 20 ARG H 1 20 ARG HB3 0.000 . 3.500 2.856 2.426 3.499 . 0 0 "[ . 1]" 1
99 1 20 ARG H 1 20 ARG QG 0.000 . 5.000 3.920 3.415 4.082 . 0 0 "[ . 1]" 1
100 1 19 ILE MG 1 20 ARG H 0.000 . 5.000 4.073 3.091 4.455 . 0 0 "[ . 1]" 1
101 1 19 ILE MD 1 20 ARG H 0.000 . 5.000 4.592 4.079 5.019 0.019 4 0 "[ . 1]" 1
102 1 19 ILE HA 1 20 ARG H 0.000 . 2.800 2.241 2.207 2.271 . 0 0 "[ . 1]" 1
103 1 20 ARG H 1 20 ARG HG2 0.000 . 5.000 4.379 4.078 4.562 . 0 0 "[ . 1]" 1
104 1 20 ARG H 1 87 ARG HA 0.000 . 3.500 3.182 2.707 3.540 0.040 6 0 "[ . 1]" 1
105 1 21 LEU H 1 21 LEU QD 0.000 . 5.000 2.915 1.947 3.518 . 0 0 "[ . 1]" 1
106 1 21 LEU H 1 21 LEU HG 0.000 . 5.000 4.128 3.287 4.509 . 0 0 "[ . 1]" 1
107 1 21 LEU H 1 26 ARG HA 0.000 . 3.500 3.295 2.878 3.556 0.056 8 0 "[ . 1]" 1
108 1 20 ARG HA 1 21 LEU H 0.000 . 2.800 2.242 2.227 2.260 . 0 0 "[ . 1]" 1
109 1 21 LEU H 1 22 ALA H 0.000 . 5.000 4.686 4.664 4.707 . 0 0 "[ . 1]" 1
110 1 21 LEU H 1 23 ASP H 0.000 . 6.000 5.214 4.873 5.553 . 0 0 "[ . 1]" 1
111 1 21 LEU H 1 25 GLY H 0.000 . 3.500 2.995 2.867 3.123 . 0 0 "[ . 1]" 1
112 1 21 LEU H 1 27 LEU H 0.000 . 6.000 4.487 4.065 4.743 . 0 0 "[ . 1]" 1
113 1 22 ALA H 1 22 ALA MB 0.000 . 2.800 2.009 1.902 2.171 . 0 0 "[ . 1]" 1
114 1 21 LEU HA 1 22 ALA H 0.000 . 3.500 2.349 2.308 2.402 . 0 0 "[ . 1]" 1
115 1 21 LEU HB3 1 22 ALA H 0.000 . 5.000 3.275 3.017 3.655 . 0 0 "[ . 1]" 1
116 1 21 LEU HB2 1 22 ALA H 0.000 . 5.000 4.260 4.162 4.377 . 0 0 "[ . 1]" 1
117 1 22 ALA H 1 23 ASP H 0.000 . 5.000 2.488 2.304 2.696 . 0 0 "[ . 1]" 1
118 1 21 LEU HG 1 22 ALA H 0.000 . 5.000 3.146 2.352 4.139 . 0 0 "[ . 1]" 1
119 1 21 LEU QD 1 22 ALA H 0.000 . 5.000 2.963 1.645 4.005 . 0 0 "[ . 1]" 1
120 1 22 ALA H 1 24 GLY H 0.000 . 6.000 4.543 4.072 4.721 . 0 0 "[ . 1]" 1
121 1 21 LEU HB3 1 23 ASP H 0.000 . 5.000 2.565 2.310 2.767 . 0 0 "[ . 1]" 1
122 1 21 LEU HB2 1 23 ASP H 0.000 . 5.000 4.197 4.013 4.385 . 0 0 "[ . 1]" 1
123 1 21 LEU HG 1 23 ASP H 0.000 . 5.000 3.709 2.984 5.028 0.028 2 0 "[ . 1]" 1
124 1 22 ALA MB 1 23 ASP H 0.000 . 5.000 2.870 2.546 3.035 . 0 0 "[ . 1]" 1
125 1 23 ASP H 1 24 GLY H 0.000 . 3.500 2.960 2.553 3.168 . 0 0 "[ . 1]" 1
126 1 22 ALA HA 1 23 ASP H 0.000 . 5.000 3.480 3.385 3.539 . 0 0 "[ . 1]" 1
127 1 23 ASP H 1 25 GLY H 0.000 . 5.000 3.766 3.303 4.171 . 0 0 "[ . 1]" 1
128 1 23 ASP HA 1 24 GLY H 0.000 . 2.800 2.851 2.828 2.889 0.089 5 0 "[ . 1]" 1
129 1 23 ASP HB3 1 24 GLY H 0.000 . 5.000 4.293 4.077 4.603 . 0 0 "[ . 1]" 1
130 1 23 ASP HB2 1 24 GLY H 0.000 . 5.000 4.391 4.182 4.574 . 0 0 "[ . 1]" 1
131 1 21 LEU HB3 1 24 GLY H 0.000 . 5.000 3.575 2.535 3.971 . 0 0 "[ . 1]" 1
132 1 21 LEU HB2 1 24 GLY H 0.000 . 5.000 4.829 2.696 5.102 0.102 8 0 "[ . 1]" 1
133 1 21 LEU HG 1 24 GLY H 0.000 . 6.000 5.789 5.061 6.010 0.010 6 0 "[ . 1]" 1
134 1 22 ALA MB 1 24 GLY H 0.000 . 5.000 4.344 4.243 4.623 . 0 0 "[ . 1]" 1
135 1 22 ALA HA 1 24 GLY H 0.000 . 5.000 3.665 3.503 4.353 . 0 0 "[ . 1]" 1
136 1 24 GLY H 1 25 GLY H 0.000 . 5.000 2.625 1.856 2.795 . 0 0 "[ . 1]" 1
137 1 24 GLY QA 1 25 GLY H 0.000 . 5.000 2.687 2.635 2.794 . 0 0 "[ . 1]" 1
138 1 21 LEU HG 1 25 GLY H 0.000 . 5.000 4.807 4.154 5.008 0.008 4 0 "[ . 1]" 1
139 1 21 LEU HB3 1 25 GLY H 0.000 . 3.500 2.393 1.899 3.149 . 0 0 "[ . 1]" 1
140 1 21 LEU HB2 1 25 GLY H 0.000 . 3.500 2.801 2.134 3.212 . 0 0 "[ . 1]" 1
141 1 26 ARG H 1 26 ARG QB 0.000 . 3.500 2.466 2.106 2.699 . 0 0 "[ . 1]" 1
142 1 26 ARG H 1 26 ARG QG 0.000 . 5.000 3.949 3.693 4.210 . 0 0 "[ . 1]" 1
143 1 25 GLY QA 1 26 ARG H 0.000 . 3.500 2.265 2.242 2.296 . 0 0 "[ . 1]" 1
144 1 27 LEU H 1 27 LEU QB 0.000 . 3.500 2.516 2.248 2.676 . 0 0 "[ . 1]" 1
145 1 27 LEU H 1 27 LEU HG 0.000 . 5.000 4.374 3.885 4.697 . 0 0 "[ . 1]" 1
146 1 27 LEU H 1 27 LEU QD 0.000 . 5.000 3.846 3.626 3.972 . 0 0 "[ . 1]" 1
147 1 26 ARG HA 1 27 LEU H 0.000 . 2.800 2.208 2.170 2.240 . 0 0 "[ . 1]" 1
148 1 26 ARG H 1 27 LEU H 0.000 . 5.000 4.295 4.136 4.531 . 0 0 "[ . 1]" 1
149 1 19 ILE H 1 27 LEU H 0.000 . 3.500 3.065 2.534 3.524 0.024 1 0 "[ . 1]" 1
150 1 20 ARG HA 1 27 LEU H 0.000 . 3.500 3.332 3.164 3.550 0.050 1 0 "[ . 1]" 1
151 1 28 VAL H 1 28 VAL QG 0.000 . 3.500 2.349 1.751 2.761 . 0 0 "[ . 1]" 1
152 1 27 LEU HA 1 28 VAL H 0.000 . 2.800 2.277 2.199 2.409 . 0 0 "[ . 1]" 1
153 1 27 LEU QB 1 28 VAL H 0.000 . 5.000 3.578 3.260 3.847 . 0 0 "[ . 1]" 1
154 1 27 LEU HG 1 28 VAL H 0.000 . 5.000 2.904 2.348 3.838 . 0 0 "[ . 1]" 1
155 1 27 LEU QD 1 28 VAL H 0.000 . 5.000 2.617 1.795 3.368 . 0 0 "[ . 1]" 1
156 1 29 GLN H 1 29 GLN QG 0.000 . 5.000 3.322 2.215 4.127 . 0 0 "[ . 1]" 1
157 1 28 VAL QG 1 29 GLN H 0.000 . 3.500 2.601 2.324 2.906 . 0 0 "[ . 1]" 1
158 1 28 VAL HA 1 29 GLN H 0.000 . 2.800 2.233 2.213 2.253 . 0 0 "[ . 1]" 1
159 1 28 VAL HB 1 29 GLN H 0.000 . 5.000 4.104 3.698 4.303 . 0 0 "[ . 1]" 1
160 1 29 GLN H 1 30 LYS H 0.000 . 5.000 4.275 4.237 4.320 . 0 0 "[ . 1]" 1
161 1 18 GLN HA 1 29 GLN H 0.000 . 3.500 2.769 2.653 2.931 . 0 0 "[ . 1]" 1
162 1 30 LYS H 1 30 LYS QB 0.000 . 3.500 2.412 2.172 2.887 . 0 0 "[ . 1]" 1
163 1 30 LYS H 1 30 LYS QG 0.000 . 3.500 2.629 1.878 3.344 . 0 0 "[ . 1]" 1
164 1 30 LYS H 1 30 LYS QD 0.000 . 5.000 3.784 2.616 4.611 . 0 0 "[ . 1]" 1
165 1 29 GLN HA 1 30 LYS H 0.000 . 2.800 2.216 2.204 2.233 . 0 0 "[ . 1]" 1
166 1 28 VAL QG 1 30 LYS H 0.000 . 3.500 3.917 3.408 4.325 0.825 6 4 "[ - *+ * 1]" 1
167 1 30 LYS H 1 31 PHE H 0.000 . 5.000 4.409 4.384 4.432 . 0 0 "[ . 1]" 1
168 1 31 PHE H 1 31 PHE QD 0.000 . 5.000 3.674 3.515 3.747 . 0 0 "[ . 1]" 1
169 1 30 LYS HA 1 31 PHE H 0.000 . 2.800 2.221 2.201 2.235 . 0 0 "[ . 1]" 1
170 1 30 LYS QB 1 31 PHE H 0.000 . 3.500 3.454 3.416 3.485 . 0 0 "[ . 1]" 1
171 1 16 ASN HA 1 31 PHE H 0.000 . 3.500 2.546 2.253 2.834 . 0 0 "[ . 1]" 1
172 1 31 PHE H 1 32 ASN HA 0.000 . 5.000 4.957 4.867 5.010 0.010 10 0 "[ . 1]" 1
173 1 31 PHE HA 1 32 ASN H 0.000 . 2.800 2.517 2.291 2.646 . 0 0 "[ . 1]" 1
174 1 31 PHE H 1 32 ASN H 0.000 . 5.000 4.472 4.408 4.537 . 0 0 "[ . 1]" 1
175 1 33 HIS H 1 33 HIS HD2 0.000 . 5.000 2.403 2.156 2.986 . 0 0 "[ . 1]" 1
176 1 32 ASN HA 1 33 HIS H 0.000 . 3.500 2.288 2.155 2.569 . 0 0 "[ . 1]" 1
177 1 32 ASN QB 1 33 HIS H 0.000 . 5.000 3.022 2.289 3.378 . 0 0 "[ . 1]" 1
178 1 33 HIS H 1 80 LEU QD 0.000 . 6.000 3.828 3.534 4.334 . 0 0 "[ . 1]" 1
179 1 33 HIS H 1 74 LEU QD 0.000 . 6.000 4.924 4.466 5.350 . 0 0 "[ . 1]" 1
180 1 33 HIS H 1 34 SER H 0.000 . 5.000 2.744 2.408 2.944 . 0 0 "[ . 1]" 1
181 1 33 HIS HB3 1 34 SER H 0.000 . 5.000 4.065 3.902 4.206 . 0 0 "[ . 1]" 1
182 1 33 HIS HB2 1 34 SER H 0.000 . 5.000 2.947 2.661 3.035 . 0 0 "[ . 1]" 1
183 1 34 SER H 1 35 HIS H 0.000 . 5.000 2.693 2.576 2.844 . 0 0 "[ . 1]" 1
184 1 32 ASN QB 1 34 SER H 0.000 . 3.500 2.667 2.545 2.838 . 0 0 "[ . 1]" 1
185 1 34 SER H 1 74 LEU QD 0.000 . 6.000 4.954 4.593 5.270 . 0 0 "[ . 1]" 1
186 1 35 HIS H 1 35 HIS HB3 0.000 . 3.500 2.429 2.096 3.016 . 0 0 "[ . 1]" 1
187 1 35 HIS H 1 35 HIS HB2 0.000 . 3.500 3.542 2.919 3.768 0.268 10 0 "[ . 1]" 1
188 1 34 SER HA 1 35 HIS H 0.000 . 5.000 3.062 2.982 3.217 . 0 0 "[ . 1]" 1
189 1 32 ASN QB 1 35 HIS H 0.000 . 5.000 3.115 2.794 3.384 . 0 0 "[ . 1]" 1
190 1 33 HIS HB3 1 35 HIS H 0.000 . 5.000 5.484 5.323 5.834 0.834 7 4 "[ * . + *-]" 1
191 1 33 HIS HB2 1 35 HIS H 0.000 . 5.000 5.095 4.858 5.383 0.383 7 0 "[ . 1]" 1
192 1 35 HIS H 1 36 ARG H 0.000 . 6.000 4.264 3.415 4.561 . 0 0 "[ . 1]" 1
193 1 35 HIS H 1 74 LEU QD 0.000 . 5.000 3.362 2.992 3.800 . 0 0 "[ . 1]" 1
194 1 35 HIS H 1 80 LEU QD 0.000 . 5.000 5.037 4.528 5.856 0.856 4 1 "[ +. 1]" 1
195 1 36 ARG H 1 36 ARG HG2 0.000 . 5.000 2.801 2.335 3.311 . 0 0 "[ . 1]" 1
196 1 35 HIS HB3 1 36 ARG H 0.000 . 5.000 3.929 2.529 4.614 . 0 0 "[ . 1]" 1
197 1 35 HIS HA 1 36 ARG H 0.000 . 2.800 2.689 2.212 3.439 0.639 7 2 "[- . + 1]" 1
198 1 36 ARG H 1 39 ASP H 0.000 . 5.000 4.388 3.888 5.135 0.135 10 0 "[ . 1]" 1
199 1 36 ARG H 1 73 THR HA 0.000 . 6.000 4.555 3.106 5.360 . 0 0 "[ . 1]" 1
200 1 37 ILE H 1 37 ILE MG 0.000 . 3.500 3.649 3.374 3.690 0.190 4 0 "[ . 1]" 1
201 1 37 ILE H 1 37 ILE HG12 0.000 . 5.000 2.162 1.788 3.826 . 0 0 "[ . 1]" 1
202 1 36 ARG HA 1 37 ILE H 0.000 . 5.000 2.251 2.217 2.353 . 0 0 "[ . 1]" 1
203 1 36 ARG QB 1 37 ILE H 0.000 . 5.000 3.313 3.048 3.545 . 0 0 "[ . 1]" 1
204 1 36 ARG HG2 1 37 ILE H 0.000 . 5.000 4.471 3.530 4.708 . 0 0 "[ . 1]" 1
205 1 37 ILE H 1 38 SER H 0.000 . 2.800 2.651 2.508 2.963 0.163 2 0 "[ . 1]" 1
206 1 37 ILE MG 1 38 SER H 0.000 . 5.000 3.672 2.674 3.958 . 0 0 "[ . 1]" 1
207 1 36 ARG HG2 1 38 SER H 0.000 . 5.000 3.467 2.124 3.964 . 0 0 "[ . 1]" 1
208 1 36 ARG QB 1 38 SER H 0.000 . 5.000 3.185 2.931 3.520 . 0 0 "[ . 1]" 1
209 1 37 ILE HG12 1 38 SER H 0.000 . 5.000 4.255 4.040 4.955 . 0 0 "[ . 1]" 1
210 1 37 ILE HA 1 38 SER H 0.000 . 5.000 3.454 3.396 3.576 . 0 0 "[ . 1]" 1
211 1 38 SER H 1 39 ASP H 0.000 . 2.800 2.670 2.579 2.852 0.052 6 0 "[ . 1]" 1
212 1 38 SER H 1 40 ILE H 0.000 . 5.000 4.085 3.933 4.318 . 0 0 "[ . 1]" 1
213 1 39 ASP H 1 39 ASP HB3 0.000 . 3.500 2.915 2.246 3.491 . 0 0 "[ . 1]" 1
214 1 39 ASP H 1 39 ASP HB2 0.000 . 3.500 2.263 1.955 3.521 0.021 3 0 "[ . 1]" 1
215 1 38 SER HA 1 39 ASP H 0.000 . 3.500 3.488 3.464 3.516 0.016 10 0 "[ . 1]" 1
216 1 38 SER QB 1 39 ASP H 0.000 . 3.500 2.889 2.790 3.031 . 0 0 "[ . 1]" 1
217 1 36 ARG QB 1 39 ASP H 0.000 . 5.000 4.170 3.860 4.438 . 0 0 "[ . 1]" 1
218 1 36 ARG HG2 1 39 ASP H 0.000 . 5.000 2.731 2.178 2.992 . 0 0 "[ . 1]" 1
219 1 39 ASP H 1 42 LEU QD 0.000 . 5.000 4.499 4.089 5.011 0.011 3 0 "[ . 1]" 1
220 1 37 ILE MG 1 39 ASP H 0.000 . 5.000 4.409 4.101 4.552 . 0 0 "[ . 1]" 1
221 1 39 ASP H 1 40 ILE H 0.000 . 2.800 2.497 2.388 2.717 . 0 0 "[ . 1]" 1
222 1 40 ILE H 1 40 ILE HB 0.000 . 3.500 2.542 2.064 3.532 0.032 7 0 "[ . 1]" 1
223 1 39 ASP HA 1 40 ILE H 0.000 . 3.500 3.497 3.474 3.509 0.009 5 0 "[ . 1]" 1
224 1 39 ASP HB3 1 40 ILE H 0.000 . 5.000 3.104 2.678 3.727 . 0 0 "[ . 1]" 1
225 1 39 ASP HB2 1 40 ILE H 0.000 . 5.000 3.503 2.848 4.081 . 0 0 "[ . 1]" 1
226 1 40 ILE H 1 41 ARG H 0.000 . 2.800 2.724 2.673 2.772 . 0 0 "[ . 1]" 1
227 1 40 ILE H 1 42 LEU H 0.000 . 5.000 4.274 4.129 4.378 . 0 0 "[ . 1]" 1
228 1 37 ILE MD 1 40 ILE H 0.000 . 5.000 4.862 4.659 5.006 0.006 2 0 "[ . 1]" 1
229 1 40 ILE H 1 40 ILE MD 0.000 . 5.000 3.677 1.784 4.169 . 0 0 "[ . 1]" 1
230 1 40 ILE H 1 40 ILE MG 0.000 . 3.500 2.435 1.735 3.551 0.051 5 0 "[ . 1]" 1
231 1 31 PHE QD 1 40 ILE H 0.000 . 6.000 5.492 4.833 6.039 0.039 5 0 "[ . 1]" 1
232 1 41 ARG H 1 41 ARG QB 0.000 . 3.500 1.992 1.936 2.165 . 0 0 "[ . 1]" 1
233 1 41 ARG H 1 41 ARG HG3 0.000 . 3.500 3.368 2.847 3.515 0.015 5 0 "[ . 1]" 1
234 1 41 ARG H 1 41 ARG HG2 0.000 . 3.500 3.390 2.600 3.527 0.027 4 0 "[ . 1]" 1
235 1 40 ILE HA 1 41 ARG H 0.000 . 3.500 3.535 3.526 3.549 0.049 2 0 "[ . 1]" 1
236 1 41 ARG H 1 42 LEU H 0.000 . 2.800 2.772 2.699 2.821 0.021 1 0 "[ . 1]" 1
237 1 41 ARG H 1 43 PHE H 0.000 . 5.000 4.270 3.977 4.634 . 0 0 "[ . 1]" 1
238 1 37 ILE MG 1 41 ARG H 0.000 . 5.000 4.234 3.987 4.566 . 0 0 "[ . 1]" 1
239 1 42 LEU H 1 42 LEU QB 0.000 . 3.500 2.178 1.973 2.356 . 0 0 "[ . 1]" 1
240 1 42 LEU H 1 42 LEU HG 0.000 . 3.500 2.840 1.986 3.534 0.034 8 0 "[ . 1]" 1
241 1 42 LEU H 1 42 LEU QD 0.000 . 5.000 2.629 1.844 3.123 . 0 0 "[ . 1]" 1
242 1 42 LEU H 1 43 PHE H 0.000 . 2.800 2.613 2.489 2.786 . 0 0 "[ . 1]" 1
243 1 42 LEU H 1 44 ILE H 0.000 . 5.000 4.194 4.034 4.408 . 0 0 "[ . 1]" 1
244 1 37 ILE MG 1 42 LEU H 0.000 . 6.000 6.437 6.138 6.691 0.691 10 3 "[ - .* +]" 1
245 1 39 ASP HA 1 42 LEU H 0.000 . 3.500 3.384 3.238 3.480 . 0 0 "[ . 1]" 1
246 1 38 SER HA 1 42 LEU H 0.000 . 5.000 5.658 5.186 5.883 0.883 5 7 "[* **+ *-*1]" 1
247 1 41 ARG HA 1 42 LEU H 0.000 . 3.500 3.540 3.521 3.563 0.063 6 0 "[ . 1]" 1
248 1 43 PHE H 1 43 PHE QB 0.000 . 3.500 2.123 2.010 2.174 . 0 0 "[ . 1]" 1
249 1 43 PHE H 1 43 PHE QD 0.000 . 5.000 4.064 3.886 4.141 . 0 0 "[ . 1]" 1
250 1 43 PHE H 1 45 VAL H 0.000 . 5.000 4.206 3.903 4.504 . 0 0 "[ . 1]" 1
251 1 39 ASP HA 1 43 PHE H 0.000 . 5.000 4.797 4.590 4.913 . 0 0 "[ . 1]" 1
252 1 42 LEU HA 1 43 PHE H 0.000 . 3.500 3.549 3.516 3.572 0.072 8 0 "[ . 1]" 1
253 1 43 PHE H 1 44 ILE H 0.000 . 3.500 2.714 2.455 2.823 . 0 0 "[ . 1]" 1
254 1 44 ILE H 1 44 ILE HB 0.000 . 3.500 2.220 2.082 2.470 . 0 0 "[ . 1]" 1
255 1 44 ILE H 1 44 ILE MG 0.000 . 3.500 3.647 3.577 3.704 0.204 8 0 "[ . 1]" 1
256 1 43 PHE QB 1 44 ILE H 0.000 . 5.000 2.264 2.155 2.447 . 0 0 "[ . 1]" 1
257 1 43 PHE HA 1 44 ILE H 0.000 . 3.500 3.550 3.522 3.559 0.059 3 0 "[ . 1]" 1
258 1 44 ILE H 1 45 VAL H 0.000 . 2.800 2.796 2.585 2.834 0.034 8 0 "[ . 1]" 1
259 1 44 ILE H 1 46 ASP H 0.000 . 5.000 3.959 3.714 4.261 . 0 0 "[ . 1]" 1
260 1 45 VAL H 1 45 VAL HB 0.000 . 2.800 2.285 2.189 2.384 . 0 0 "[ . 1]" 1
261 1 45 VAL H 1 46 ASP H 0.000 . 2.800 2.675 2.508 2.815 0.015 6 0 "[ . 1]" 1
262 1 45 VAL H 1 47 ALA H 0.000 . 5.000 4.195 3.796 4.825 . 0 0 "[ . 1]" 1
263 1 41 ARG HA 1 45 VAL H 0.000 . 5.000 3.827 3.215 4.279 . 0 0 "[ . 1]" 1
264 1 44 ILE HA 1 45 VAL H 0.000 . 3.500 3.557 3.529 3.568 0.068 6 0 "[ . 1]" 1
265 1 45 VAL MG2 1 46 ASP H 0.000 . 5.000 3.997 3.816 4.120 . 0 0 "[ . 1]" 1
266 1 45 VAL HB 1 46 ASP H 0.000 . 5.000 2.794 2.398 3.074 . 0 0 "[ . 1]" 1
267 1 45 VAL HA 1 46 ASP H 0.000 . 3.500 3.507 3.456 3.554 0.054 7 0 "[ . 1]" 1
268 1 46 ASP H 1 48 ARG H 0.000 . 5.000 4.317 3.846 4.985 . 0 0 "[ . 1]" 1
269 1 42 LEU HA 1 46 ASP H 0.000 . 5.000 4.189 3.881 4.592 . 0 0 "[ . 1]" 1
270 1 47 ALA H 1 47 ALA MB 0.000 . 3.500 2.326 2.174 2.522 . 0 0 "[ . 1]" 1
271 1 46 ASP HA 1 47 ALA H 0.000 . 3.500 3.529 3.500 3.583 0.083 2 0 "[ . 1]" 1
272 1 46 ASP HB3 1 47 ALA H 0.000 . 5.000 2.826 2.341 3.156 . 0 0 "[ . 1]" 1
273 1 46 ASP HB2 1 47 ALA H 0.000 . 5.000 3.628 2.650 4.121 . 0 0 "[ . 1]" 1
274 1 46 ASP H 1 47 ALA H 0.000 . 2.800 2.541 2.405 2.808 0.008 7 0 "[ . 1]" 1
275 1 43 PHE HA 1 47 ALA H 0.000 . 5.000 4.392 3.920 4.674 . 0 0 "[ . 1]" 1
276 1 48 ARG H 1 48 ARG HB3 0.000 . 3.500 2.911 2.247 3.625 0.125 8 0 "[ . 1]" 1
277 1 48 ARG H 1 48 ARG HB2 0.000 . 3.500 2.950 2.184 3.638 0.138 4 0 "[ . 1]" 1
278 1 48 ARG H 1 48 ARG QG 0.000 . 5.000 3.296 1.642 4.504 . 0 0 "[ . 1]" 1
279 1 48 ARG H 1 48 ARG HD3 0.000 . 5.000 4.163 3.358 4.621 . 0 0 "[ . 1]" 1
280 1 48 ARG H 1 48 ARG HD2 0.000 . 5.000 4.293 1.609 5.033 0.033 2 0 "[ . 1]" 1
281 1 47 ALA HA 1 48 ARG H 0.000 . 3.500 3.060 2.843 3.561 0.061 8 0 "[ . 1]" 1
282 1 47 ALA MB 1 48 ARG H 0.000 . 5.000 3.318 1.804 3.707 . 0 0 "[ . 1]" 1
283 1 47 ALA H 1 48 ARG H 0.000 . 2.800 2.642 2.307 2.823 0.023 6 0 "[ . 1]" 1
284 1 44 ILE HA 1 48 ARG H 0.000 . 5.000 4.253 3.193 4.560 . 0 0 "[ . 1]" 1
285 1 50 ALA H 1 50 ALA MB 0.000 . 3.500 2.069 1.910 2.226 . 0 0 "[ . 1]" 1
286 1 50 ALA H 1 51 MET H 0.000 . 2.800 2.390 2.245 2.753 . 0 0 "[ . 1]" 1
287 1 49 PRO QB 1 50 ALA H 0.000 . 5.000 3.083 2.702 3.503 . 0 0 "[ . 1]" 1
288 1 48 ARG HD3 1 50 ALA H 0.000 . 5.000 4.870 3.494 5.048 0.048 10 0 "[ . 1]" 1
289 1 48 ARG HD2 1 50 ALA H 0.000 . 5.000 4.794 4.038 5.051 0.051 8 0 "[ . 1]" 1
290 1 51 MET H 1 51 MET QB 0.000 . 3.500 2.087 1.897 2.443 . 0 0 "[ . 1]" 1
291 1 50 ALA HA 1 51 MET H 0.000 . 5.000 3.543 3.504 3.584 . 0 0 "[ . 1]" 1
292 1 50 ALA MB 1 51 MET H 0.000 . 5.000 2.647 2.500 2.797 . 0 0 "[ . 1]" 1
293 1 51 MET H 1 52 ALA H 0.000 . 2.800 2.768 2.585 2.843 0.043 3 0 "[ . 1]" 1
294 1 51 MET H 1 52 ALA MB 0.000 . 5.000 4.320 4.242 4.484 . 0 0 "[ . 1]" 1
295 1 51 MET H 1 51 MET QG 0.000 . 5.000 3.106 1.987 3.740 . 0 0 "[ . 1]" 1
296 1 51 MET H 1 51 MET ME 0.000 . 3.500 2.506 1.811 3.414 . 0 0 "[ . 1]" 1
297 1 48 ARG HD3 1 51 MET H 0.000 . 5.000 3.854 2.618 4.873 . 0 0 "[ . 1]" 1
298 1 48 ARG HD2 1 51 MET H 0.000 . 5.000 3.905 3.240 5.015 0.015 3 0 "[ . 1]" 1
299 1 52 ALA H 1 52 ALA MB 0.000 . 3.500 2.347 1.921 2.823 . 0 0 "[ . 1]" 1
300 1 51 MET HA 1 52 ALA H 0.000 . 3.500 3.488 3.413 3.549 0.049 8 0 "[ . 1]" 1
301 1 51 MET QB 1 52 ALA H 0.000 . 5.000 2.786 2.449 3.075 . 0 0 "[ . 1]" 1
302 1 51 MET QG 1 52 ALA H 0.000 . 5.000 4.428 4.212 4.755 . 0 0 "[ . 1]" 1
303 1 51 MET ME 1 52 ALA H 0.000 . 5.000 4.558 4.011 5.018 0.018 1 0 "[ . 1]" 1
304 1 52 ALA H 1 54 THR H 0.000 . 5.000 4.508 3.988 4.926 . 0 0 "[ . 1]" 1
305 1 52 ALA H 1 53 ALA H 0.000 . 2.800 2.831 2.680 2.898 0.098 5 0 "[ . 1]" 1
306 1 53 ALA H 1 53 ALA HA 0.000 . 2.800 2.685 2.391 3.003 0.203 10 0 "[ . 1]" 1
307 1 53 ALA H 1 53 ALA MB 0.000 . 3.500 2.701 2.279 2.974 . 0 0 "[ . 1]" 1
308 1 52 ALA HA 1 53 ALA H 0.000 . 3.500 3.120 2.738 3.555 0.055 10 0 "[ . 1]" 1
309 1 52 ALA MB 1 53 ALA H 0.000 . 5.000 3.163 2.406 3.712 . 0 0 "[ . 1]" 1
310 1 53 ALA H 1 54 THR H 0.000 . 2.800 2.672 1.759 2.832 0.032 8 0 "[ . 1]" 1
311 1 51 MET H 1 53 ALA H 0.000 . 5.000 4.855 4.540 5.032 0.032 8 0 "[ . 1]" 1
312 1 54 THR H 1 54 THR HB 0.000 . 3.500 2.486 2.370 2.813 . 0 0 "[ . 1]" 1
313 1 53 ALA HA 1 54 THR H 0.000 . 3.500 2.706 2.518 2.998 . 0 0 "[ . 1]" 1
314 1 53 ALA MB 1 54 THR H 0.000 . 3.500 3.683 3.552 3.731 0.231 5 0 "[ . 1]" 1
315 1 54 THR H 1 55 SER H 0.000 . 5.000 4.472 4.208 4.614 . 0 0 "[ . 1]" 1
316 1 55 SER H 1 55 SER HA 0.000 . 2.800 2.950 2.910 3.002 0.202 3 0 "[ . 1]" 1
317 1 55 SER H 1 55 SER QB 0.000 . 3.500 2.201 1.975 2.430 . 0 0 "[ . 1]" 1
318 1 54 THR HA 1 55 SER H 0.000 . 2.800 2.294 2.208 2.359 . 0 0 "[ . 1]" 1
319 1 54 THR HB 1 55 SER H 0.000 . 3.500 4.349 3.989 4.643 1.143 6 9 "[*** -+****]" 1
320 1 54 THR MG 1 55 SER H 0.000 . 5.000 3.151 2.590 3.803 . 0 0 "[ . 1]" 1
321 1 56 PHE H 1 56 PHE QD 0.000 . 5.000 2.901 2.781 3.050 . 0 0 "[ . 1]" 1
322 1 55 SER HA 1 56 PHE H 0.000 . 2.800 2.276 2.266 2.286 . 0 0 "[ . 1]" 1
323 1 55 SER QB 1 56 PHE H 0.000 . 5.000 3.852 3.727 3.990 . 0 0 "[ . 1]" 1
324 1 56 PHE H 1 57 VAL H 0.000 . 5.000 4.498 4.465 4.526 . 0 0 "[ . 1]" 1
325 1 57 VAL H 1 57 VAL QG 0.000 . 3.500 2.057 1.852 2.216 . 0 0 "[ . 1]" 1
326 1 56 PHE HA 1 57 VAL H 0.000 . 2.800 2.425 2.320 2.482 . 0 0 "[ . 1]" 1
327 1 56 PHE HB3 1 57 VAL H 0.000 . 5.000 4.002 3.958 4.096 . 0 0 "[ . 1]" 1
328 1 56 PHE HB2 1 57 VAL H 0.000 . 5.000 2.686 2.601 2.960 . 0 0 "[ . 1]" 1
329 1 57 VAL H 1 88 LEU HA 0.000 . 3.500 3.420 2.943 3.540 0.040 1 0 "[ . 1]" 1
330 1 57 VAL H 1 89 THR H 0.000 . 5.000 4.428 3.987 4.742 . 0 0 "[ . 1]" 1
331 1 57 VAL H 1 87 ARG H 0.000 . 3.500 3.066 2.891 3.378 . 0 0 "[ . 1]" 1
332 1 56 PHE QD 1 57 VAL H 0.000 . 5.000 2.726 2.523 3.428 . 0 0 "[ . 1]" 1
333 1 58 LEU H 1 58 LEU HB2 0.000 . 3.500 3.338 3.032 3.671 0.171 1 0 "[ . 1]" 1
334 1 58 LEU H 1 58 LEU HG 0.000 . 5.000 4.137 2.919 4.928 . 0 0 "[ . 1]" 1
335 1 58 LEU H 1 58 LEU QD 0.000 . 3.500 3.314 1.464 3.658 0.158 10 0 "[ . 1]" 1
336 1 57 VAL HA 1 58 LEU H 0.000 . 2.800 2.496 2.340 2.553 . 0 0 "[ . 1]" 1
337 1 58 LEU H 1 86 GLN HA 0.000 . 6.000 4.779 4.107 5.018 . 0 0 "[ . 1]" 1
338 1 58 LEU H 1 59 MET H 0.000 . 6.000 4.396 4.264 4.559 . 0 0 "[ . 1]" 1
339 1 59 MET H 1 59 MET QG 0.000 . 5.000 3.560 2.521 4.165 . 0 0 "[ . 1]" 1
340 1 59 MET H 1 59 MET ME 0.000 . 5.000 4.342 1.982 4.997 . 0 0 "[ . 1]" 1
341 1 58 LEU HA 1 59 MET H 0.000 . 2.800 2.326 2.283 2.376 . 0 0 "[ . 1]" 1
342 1 59 MET H 1 86 GLN HA 0.000 . 3.500 3.134 2.446 3.459 . 0 0 "[ . 1]" 1
343 1 59 MET H 1 85 VAL H 0.000 . 3.500 3.471 3.155 3.583 0.083 6 0 "[ . 1]" 1
344 1 59 MET H 1 85 VAL QG 0.000 . 5.000 3.454 2.225 4.498 . 0 0 "[ . 1]" 1
345 1 58 LEU QD 1 59 MET H 0.000 . 5.000 2.325 1.754 3.529 . 0 0 "[ . 1]" 1
346 1 58 LEU HB3 1 59 MET H 0.000 . 5.000 4.300 4.082 4.598 . 0 0 "[ . 1]" 1
347 1 60 THR H 1 60 THR HB 0.000 . 2.800 2.664 2.557 2.870 0.070 3 0 "[ . 1]" 1
348 1 60 THR H 1 60 THR MG 0.000 . 3.500 1.822 1.734 1.951 . 0 0 "[ . 1]" 1
349 1 59 MET HA 1 60 THR H 0.000 . 2.800 2.237 2.186 2.337 . 0 0 "[ . 1]" 1
350 1 59 MET QB 1 60 THR H 0.000 . 3.500 3.315 2.845 3.541 0.041 6 0 "[ . 1]" 1
351 1 59 MET QG 1 60 THR H 0.000 . 3.500 3.070 2.101 3.519 0.019 10 0 "[ . 1]" 1
352 1 59 MET ME 1 60 THR H 0.000 . 5.000 3.835 2.252 4.999 . 0 0 "[ . 1]" 1
353 1 60 THR H 1 66 GLU HA 0.000 . 3.500 3.523 3.435 3.578 0.078 6 0 "[ . 1]" 1
354 1 58 LEU QD 1 60 THR H 0.000 . 5.000 3.798 2.941 4.681 . 0 0 "[ . 1]" 1
355 1 60 THR HA 1 61 THR H 0.000 . 3.500 2.205 2.197 2.238 . 0 0 "[ . 1]" 1
356 1 60 THR HB 1 61 THR H 0.000 . 5.000 4.360 4.175 4.448 . 0 0 "[ . 1]" 1
357 1 60 THR MG 1 61 THR H 0.000 . 5.000 3.995 3.897 4.199 . 0 0 "[ . 1]" 1
358 1 61 THR H 1 62 PHE H 0.000 . 3.500 2.835 2.454 3.555 0.055 3 0 "[ . 1]" 1
359 1 62 PHE H 1 62 PHE HB3 0.000 . 3.500 3.393 3.294 3.533 0.033 5 0 "[ . 1]" 1
360 1 62 PHE H 1 62 PHE HB2 0.000 . 3.500 2.053 1.978 2.219 . 0 0 "[ . 1]" 1
361 1 61 THR MG 1 62 PHE H 0.000 . 5.000 3.863 3.111 4.304 . 0 0 "[ . 1]" 1
362 1 61 THR HA 1 62 PHE H 0.000 . 5.000 3.491 3.447 3.517 . 0 0 "[ . 1]" 1
363 1 61 THR HB 1 62 PHE H 0.000 . 5.000 3.232 1.929 4.016 . 0 0 "[ . 1]" 1
364 1 62 PHE H 1 62 PHE HA 0.000 . 2.800 2.775 2.583 2.879 0.079 8 0 "[ . 1]" 1
365 1 64 ASN H 1 64 ASN HA 0.000 . 2.800 2.385 2.380 2.390 . 0 0 "[ . 1]" 1
366 1 63 PRO QB 1 64 ASN H 0.000 . 3.500 3.792 3.607 3.867 0.367 10 0 "[ . 1]" 1
367 1 62 PHE HB3 1 64 ASN H 0.000 . 5.000 4.463 4.404 4.493 . 0 0 "[ . 1]" 1
368 1 62 PHE HB2 1 64 ASN H 0.000 . 5.000 4.481 4.367 4.638 . 0 0 "[ . 1]" 1
369 1 65 LYS H 1 65 LYS QG 0.000 . 5.000 4.010 3.627 4.186 . 0 0 "[ . 1]" 1
370 1 60 THR MG 1 65 LYS H 0.000 . 5.000 1.675 1.568 1.787 . 0 0 "[ . 1]" 1
371 1 60 THR H 1 65 LYS H 0.000 . 3.500 3.247 2.768 3.501 0.001 10 0 "[ . 1]" 1
372 1 64 ASN HA 1 65 LYS H 0.000 . 2.800 2.683 2.544 2.808 0.008 3 0 "[ . 1]" 1
373 1 64 ASN QB 1 65 LYS H 0.000 . 5.000 3.957 3.901 4.056 . 0 0 "[ . 1]" 1
374 1 61 THR HA 1 65 LYS H 0.000 . 3.500 4.676 4.444 5.023 1.523 3 10 [**+****-**] 1
375 1 66 GLU H 1 66 GLU HA 0.000 . 2.800 2.962 2.933 2.975 0.175 6 0 "[ . 1]" 1
376 1 66 GLU H 1 66 GLU QB 0.000 . 3.500 2.308 2.109 2.631 . 0 0 "[ . 1]" 1
377 1 66 GLU H 1 66 GLU QG 0.000 . 5.000 3.169 1.860 3.977 . 0 0 "[ . 1]" 1
378 1 65 LYS H 1 66 GLU H 0.000 . 5.000 4.506 4.489 4.524 . 0 0 "[ . 1]" 1
379 1 65 LYS HA 1 66 GLU H 0.000 . 2.800 2.333 2.291 2.352 . 0 0 "[ . 1]" 1
380 1 65 LYS HB3 1 66 GLU H 0.000 . 5.000 3.623 3.019 4.190 . 0 0 "[ . 1]" 1
381 1 65 LYS HB2 1 66 GLU H 0.000 . 5.000 4.134 3.786 4.286 . 0 0 "[ . 1]" 1
382 1 60 THR MG 1 66 GLU H 0.000 . 5.000 4.267 4.047 4.318 . 0 0 "[ . 1]" 1
383 1 67 LEU H 1 67 LEU HG 0.000 . 5.000 3.844 2.783 4.407 . 0 0 "[ . 1]" 1
384 1 67 LEU H 1 67 LEU QD 0.000 . 5.000 3.420 2.517 4.036 . 0 0 "[ . 1]" 1
385 1 59 MET HA 1 67 LEU H 0.000 . 3.500 2.942 2.513 3.452 . 0 0 "[ . 1]" 1
386 1 66 GLU HA 1 67 LEU H 0.000 . 2.800 2.246 2.229 2.282 . 0 0 "[ . 1]" 1
387 1 66 GLU QB 1 67 LEU H 0.000 . 5.000 3.491 3.140 3.797 . 0 0 "[ . 1]" 1
388 1 66 GLU QG 1 67 LEU H 0.000 . 5.000 3.297 2.354 4.329 . 0 0 "[ . 1]" 1
389 1 68 ALA H 1 68 ALA MB 0.000 . 3.500 2.675 2.423 2.911 . 0 0 "[ . 1]" 1
390 1 67 LEU HA 1 68 ALA H 0.000 . 3.500 2.580 2.175 3.512 0.012 8 0 "[ . 1]" 1
391 1 67 LEU HB3 1 68 ALA H 0.000 . 5.000 3.119 1.690 4.079 . 0 0 "[ . 1]" 1
392 1 67 LEU HB2 1 68 ALA H 0.000 . 5.000 3.680 2.598 4.530 . 0 0 "[ . 1]" 1
393 1 67 LEU HG 1 68 ALA H 0.000 . 6.000 3.166 1.836 4.442 . 0 0 "[ . 1]" 1
394 1 68 ALA H 1 69 ASP H 0.000 . 3.500 2.731 1.944 3.500 . 6 0 "[ . 1]" 1
395 1 67 LEU H 1 68 ALA H 0.000 . 6.000 4.446 4.017 4.710 . 0 0 "[ . 1]" 1
396 1 67 LEU QD 1 68 ALA H 0.000 . 5.000 2.788 1.830 3.296 . 0 0 "[ . 1]" 1
397 1 69 ASP H 1 69 ASP HB3 0.000 . 3.500 3.123 2.216 3.532 0.032 9 0 "[ . 1]" 1
398 1 69 ASP H 1 69 ASP HB2 0.000 . 3.500 3.007 2.744 3.562 0.062 6 0 "[ . 1]" 1
399 1 68 ALA MB 1 69 ASP H 0.000 . 3.500 3.115 1.844 3.745 0.245 9 0 "[ . 1]" 1
400 1 68 ALA HA 1 69 ASP H 0.000 . 5.000 2.987 2.386 3.596 . 0 0 "[ . 1]" 1
401 1 67 LEU HA 1 69 ASP H 0.000 . 5.000 4.731 3.940 5.065 0.065 4 0 "[ . 1]" 1
402 1 67 LEU QD 1 69 ASP H 0.000 . 5.000 3.298 1.839 4.579 . 0 0 "[ . 1]" 1
403 1 69 ASP H 1 70 GLU H 0.000 . 6.000 4.285 2.056 4.702 . 0 0 "[ . 1]" 1
404 1 70 GLU H 1 70 GLU QB 0.000 . 3.500 2.553 2.201 3.164 . 0 0 "[ . 1]" 1
405 1 70 GLU H 1 70 GLU QG 0.000 . 3.500 3.016 1.701 3.617 0.117 9 0 "[ . 1]" 1
406 1 69 ASP HB3 1 70 GLU H 0.000 . 5.000 3.507 2.722 4.401 . 0 0 "[ . 1]" 1
407 1 69 ASP HB2 1 70 GLU H 0.000 . 5.000 3.729 2.414 4.203 . 0 0 "[ . 1]" 1
408 1 69 ASP HA 1 70 GLU H 0.000 . 3.500 2.601 2.247 3.056 . 0 0 "[ . 1]" 1
409 1 70 GLU H 1 71 ASN H 0.000 . 3.500 2.976 2.035 3.643 0.143 10 0 "[ . 1]" 1
410 1 67 LEU QD 1 70 GLU H 0.000 . 6.000 5.781 5.228 6.010 0.010 10 0 "[ . 1]" 1
411 1 70 GLU H 1 72 GLN H 0.000 . 6.000 4.186 3.202 5.140 . 0 0 "[ . 1]" 1
412 1 71 ASN H 1 71 ASN QB 0.000 . 3.500 2.803 2.077 3.240 . 0 0 "[ . 1]" 1
413 1 70 GLU QG 1 71 ASN H 0.000 . 5.000 2.871 1.733 4.454 . 0 0 "[ . 1]" 1
414 1 71 ASN H 1 72 GLN H 0.000 . 2.800 2.137 1.784 2.843 0.043 10 0 "[ . 1]" 1
415 1 71 ASN H 1 72 GLN HB3 0.000 . 5.000 4.525 4.091 5.087 0.087 10 0 "[ . 1]" 1
416 1 71 ASN H 1 72 GLN HB2 0.000 . 5.000 4.032 3.091 5.032 0.032 8 0 "[ . 1]" 1
417 1 72 GLN H 1 72 GLN HB3 0.000 . 3.500 2.951 2.445 3.512 0.012 7 0 "[ . 1]" 1
418 1 72 GLN H 1 72 GLN HB2 0.000 . 3.500 2.562 1.999 3.558 0.058 5 0 "[ . 1]" 1
419 1 72 GLN H 1 72 GLN HG3 0.000 . 5.000 4.144 2.228 4.886 . 0 0 "[ . 1]" 1
420 1 72 GLN H 1 72 GLN HG2 0.000 . 5.000 4.327 1.923 4.982 . 0 0 "[ . 1]" 1
421 1 71 ASN HA 1 72 GLN H 0.000 . 5.000 3.267 2.652 3.592 . 0 0 "[ . 1]" 1
422 1 71 ASN QB 1 72 GLN H 0.000 . 5.000 3.302 2.318 4.076 . 0 0 "[ . 1]" 1
423 1 73 THR H 1 73 THR HB 0.000 . 2.800 3.516 3.493 3.563 0.763 7 10 [***-**+***] 1
424 1 73 THR H 1 73 THR MG 0.000 . 3.500 2.088 1.770 3.190 . 0 0 "[ . 1]" 1
425 1 72 GLN H 1 73 THR H 0.000 . 5.000 4.030 3.271 4.404 . 0 0 "[ . 1]" 1
426 1 72 GLN HA 1 73 THR H 0.000 . 3.500 3.056 2.322 3.465 . 0 0 "[ . 1]" 1
427 1 72 GLN QB 1 73 THR H 0.000 . 3.500 2.001 1.584 3.530 0.030 8 0 "[ . 1]" 1
428 1 72 GLN QG 1 73 THR H 0.000 . 3.500 2.449 1.792 3.527 0.027 7 0 "[ . 1]" 1
429 1 36 ARG QB 1 73 THR H 0.000 . 5.000 4.649 4.417 4.819 . 0 0 "[ . 1]" 1
430 1 74 LEU H 1 74 LEU HG 0.000 . 5.000 4.620 4.477 4.786 . 0 0 "[ . 1]" 1
431 1 74 LEU H 1 74 LEU QD 0.000 . 5.000 3.545 3.015 3.737 . 0 0 "[ . 1]" 1
432 1 73 THR HA 1 74 LEU H 0.000 . 3.500 2.663 2.392 2.907 . 0 0 "[ . 1]" 1
433 1 74 LEU H 1 75 LYS H 0.000 . 3.500 2.493 1.824 3.635 0.135 7 0 "[ . 1]" 1
434 1 75 LYS H 1 75 LYS QB 0.000 . 3.500 2.180 2.001 2.555 . 0 0 "[ . 1]" 1
435 1 75 LYS H 1 75 LYS QG 0.000 . 3.500 2.405 1.597 2.852 . 0 0 "[ . 1]" 1
436 1 75 LYS H 1 75 LYS QD 0.000 . 3.500 3.523 3.507 3.544 0.044 6 0 "[ . 1]" 1
437 1 75 LYS H 1 76 GLU H 0.000 . 3.500 2.615 2.506 2.772 . 0 0 "[ . 1]" 1
438 1 75 LYS H 1 75 LYS QE 0.000 . 5.000 4.463 3.493 5.035 0.035 5 0 "[ . 1]" 1
439 1 74 LEU HA 1 75 LYS H 0.000 . 5.000 3.537 3.479 3.592 . 0 0 "[ . 1]" 1
440 1 74 LEU QD 1 75 LYS H 0.000 . 5.000 3.778 3.519 3.961 . 0 0 "[ . 1]" 1
441 1 76 GLU H 1 76 GLU HB3 0.000 . 3.500 3.077 1.968 3.332 . 0 0 "[ . 1]" 1
442 1 76 GLU H 1 76 GLU HB2 0.000 . 3.500 2.069 1.930 3.089 . 0 0 "[ . 1]" 1
443 1 76 GLU H 1 76 GLU QG 0.000 . 3.500 3.359 3.083 3.529 0.029 9 0 "[ . 1]" 1
444 1 75 LYS HA 1 76 GLU H 0.000 . 5.000 3.505 3.493 3.520 . 0 0 "[ . 1]" 1
445 1 75 LYS QB 1 76 GLU H 0.000 . 3.500 3.490 3.401 3.522 0.022 4 0 "[ . 1]" 1
446 1 75 LYS QG 1 76 GLU H 0.000 . 3.500 2.111 1.989 2.217 . 0 0 "[ . 1]" 1
447 1 73 THR H 1 76 GLU H 0.000 . 5.000 4.745 3.691 5.011 0.011 6 0 "[ . 1]" 1
448 1 77 ALA H 1 77 ALA HA 0.000 . 2.800 2.844 2.822 2.889 0.089 2 0 "[ . 1]" 1
449 1 77 ALA H 1 77 ALA MB 0.000 . 3.500 2.017 1.909 2.120 . 0 0 "[ . 1]" 1
450 1 76 GLU HA 1 77 ALA H 0.000 . 5.000 3.509 3.486 3.550 . 0 0 "[ . 1]" 1
451 1 76 GLU QB 1 77 ALA H 0.000 . 5.000 2.915 2.718 3.117 . 0 0 "[ . 1]" 1
452 1 76 GLU QG 1 77 ALA H 0.000 . 5.000 4.406 2.529 4.713 . 0 0 "[ . 1]" 1
453 1 77 ALA H 1 78 ASN H 0.000 . 3.500 2.669 2.493 2.752 . 0 0 "[ . 1]" 1
454 1 78 ASN H 1 78 ASN HA 0.000 . 2.800 2.365 2.353 2.371 . 0 0 "[ . 1]" 1
455 1 78 ASN H 1 78 ASN HB3 0.000 . 3.500 3.105 3.015 3.141 . 0 0 "[ . 1]" 1
456 1 77 ALA HA 1 78 ASN H 0.000 . 3.500 3.422 3.324 3.459 . 0 0 "[ . 1]" 1
457 1 77 ALA MB 1 78 ASN H 0.000 . 5.000 3.010 2.893 3.262 . 0 0 "[ . 1]" 1
458 1 78 ASN H 1 79 LEU H 0.000 . 3.500 2.708 2.616 2.825 . 0 0 "[ . 1]" 1
459 1 79 LEU H 1 79 LEU QB 0.000 . 3.500 2.259 1.998 2.520 . 0 0 "[ . 1]" 1
460 1 79 LEU H 1 80 LEU H 0.000 . 5.000 2.338 2.122 2.505 . 0 0 "[ . 1]" 1
461 1 79 LEU H 1 79 LEU QD 0.000 . 3.500 2.925 2.178 3.272 . 0 0 "[ . 1]" 1
462 1 79 LEU HA 1 80 LEU H 0.000 . 3.500 3.283 3.175 3.425 . 0 0 "[ . 1]" 1
463 1 80 LEU H 1 80 LEU QB 0.000 . 3.500 2.133 2.030 2.248 . 0 0 "[ . 1]" 1
464 1 80 LEU H 1 80 LEU HG 0.000 . 5.000 4.245 2.739 4.605 . 0 0 "[ . 1]" 1
465 1 80 LEU H 1 80 LEU QD 0.000 . 5.000 3.383 2.971 3.600 . 0 0 "[ . 1]" 1
466 1 81 ASN H 1 81 ASN HA 0.000 . 2.800 2.978 2.972 2.982 0.182 2 0 "[ . 1]" 1
467 1 80 LEU HA 1 81 ASN H 0.000 . 3.500 2.306 2.201 2.390 . 0 0 "[ . 1]" 1
468 1 80 LEU QD 1 81 ASN H 0.000 . 6.000 3.578 2.855 4.074 . 0 0 "[ . 1]" 1
469 1 81 ASN H 1 82 ALA H 0.000 . 3.500 2.275 2.148 2.324 . 0 0 "[ . 1]" 1
470 1 82 ALA H 1 82 ALA MB 0.000 . 2.800 2.927 2.890 2.965 0.165 8 0 "[ . 1]" 1
471 1 81 ASN HB3 1 82 ALA H 0.000 . 5.000 4.092 3.686 4.486 . 0 0 "[ . 1]" 1
472 1 81 ASN HB2 1 82 ALA H 0.000 . 5.000 3.624 3.412 4.113 . 0 0 "[ . 1]" 1
473 1 80 LEU HA 1 82 ALA H 0.000 . 5.000 3.285 3.162 3.712 . 0 0 "[ . 1]" 1
474 1 81 ASN HA 1 82 ALA H 0.000 . 3.500 3.354 3.325 3.511 0.011 3 0 "[ . 1]" 1
475 1 82 ALA H 1 83 VAL H 0.000 . 5.000 3.372 2.756 3.892 . 0 0 "[ . 1]" 1
476 1 80 LEU QD 1 82 ALA H 0.000 . 6.000 2.989 1.949 3.632 . 0 0 "[ . 1]" 1
477 1 83 VAL H 1 83 VAL HB 0.000 . 3.500 3.094 2.779 3.239 . 0 0 "[ . 1]" 1
478 1 82 ALA HA 1 83 VAL H 0.000 . 2.800 3.543 3.400 3.569 0.769 4 10 [***+*****-] 1
479 1 82 ALA MB 1 83 VAL H 0.000 . 3.500 2.376 1.836 3.144 . 0 0 "[ . 1]" 1
480 1 83 VAL H 1 84 ILE H 0.000 . 6.000 4.215 4.111 4.414 . 0 0 "[ . 1]" 1
481 1 84 ILE H 1 84 ILE QG 0.000 . 5.000 2.757 2.144 3.611 . 0 0 "[ . 1]" 1
482 1 83 VAL HA 1 84 ILE H 0.000 . 3.500 2.225 2.207 2.239 . 0 0 "[ . 1]" 1
483 1 83 VAL MG1 1 84 ILE H 0.000 . 5.000 4.125 3.978 4.200 . 0 0 "[ . 1]" 1
484 1 83 VAL MG2 1 84 ILE H 0.000 . 5.000 3.007 2.865 3.228 . 0 0 "[ . 1]" 1
485 1 83 VAL HB 1 84 ILE H 0.000 . 5.000 4.428 4.379 4.537 . 0 0 "[ . 1]" 1
486 1 82 ALA MB 1 84 ILE H 0.000 . 5.000 5.575 5.385 5.840 0.840 10 8 "[* ***-**+]" 1
487 1 17 ILE HA 1 84 ILE H 0.000 . 3.500 2.271 1.835 2.729 . 0 0 "[ . 1]" 1
488 1 85 VAL H 1 85 VAL HB 0.000 . 3.500 2.644 2.323 3.083 . 0 0 "[ . 1]" 1
489 1 85 VAL H 1 85 VAL QG 0.000 . 3.500 2.317 1.805 2.846 . 0 0 "[ . 1]" 1
490 1 84 ILE HA 1 85 VAL H 0.000 . 2.800 2.387 2.258 2.424 . 0 0 "[ . 1]" 1
491 1 84 ILE QG 1 85 VAL H 0.000 . 5.000 4.144 3.622 4.723 . 0 0 "[ . 1]" 1
492 1 85 VAL H 1 86 GLN H 0.000 . 5.000 4.336 4.260 4.435 . 0 0 "[ . 1]" 1
493 1 60 THR HA 1 85 VAL H 0.000 . 3.500 2.794 2.435 3.343 . 0 0 "[ . 1]" 1
494 1 61 THR H 1 85 VAL H 0.000 . 5.000 3.578 3.139 4.112 . 0 0 "[ . 1]" 1
495 1 84 ILE H 1 85 VAL H 0.000 . 5.000 4.551 4.394 4.590 . 0 0 "[ . 1]" 1
496 1 86 GLN H 1 86 GLN QG 0.000 . 5.000 3.814 3.151 3.997 . 0 0 "[ . 1]" 1
497 1 85 VAL HA 1 86 GLN H 0.000 . 2.800 2.186 2.172 2.203 . 0 0 "[ . 1]" 1
498 1 85 VAL QG 1 86 GLN H 0.000 . 3.500 2.782 2.464 2.996 . 0 0 "[ . 1]" 1
499 1 85 VAL HB 1 86 GLN H 0.000 . 5.000 4.383 4.153 4.521 . 0 0 "[ . 1]" 1
500 1 86 GLN H 1 87 ARG H 0.000 . 5.000 4.586 4.538 4.615 . 0 0 "[ . 1]" 1
501 1 19 ILE HA 1 86 GLN H 0.000 . 5.000 2.848 2.174 3.445 . 0 0 "[ . 1]" 1
502 1 20 ARG H 1 86 GLN H 0.000 . 5.000 4.315 3.582 4.779 . 0 0 "[ . 1]" 1
503 1 87 ARG H 1 87 ARG QB 0.000 . 3.500 2.393 2.294 2.487 . 0 0 "[ . 1]" 1
504 1 86 GLN HA 1 87 ARG H 0.000 . 2.800 2.302 2.272 2.350 . 0 0 "[ . 1]" 1
505 1 86 GLN QB 1 87 ARG H 0.000 . 5.000 3.529 3.242 3.715 . 0 0 "[ . 1]" 1
506 1 58 LEU HA 1 87 ARG H 0.000 . 3.500 3.191 2.682 3.512 0.012 10 0 "[ . 1]" 1
507 1 57 VAL QG 1 87 ARG H 0.000 . 3.500 2.681 2.226 3.505 0.005 2 0 "[ . 1]" 1
508 1 88 LEU H 1 88 LEU QB 0.000 . 3.500 2.210 2.132 2.291 . 0 0 "[ . 1]" 1
509 1 88 LEU H 1 88 LEU HG 0.000 . 3.500 3.546 3.478 3.569 0.069 3 0 "[ . 1]" 1
510 1 87 ARG HA 1 88 LEU H 0.000 . 2.800 2.229 2.211 2.258 . 0 0 "[ . 1]" 1
511 1 87 ARG QB 1 88 LEU H 0.000 . 3.500 3.841 3.589 3.994 0.494 3 0 "[ . 1]" 1
512 1 88 LEU H 1 88 LEU QD 0.000 . 5.000 2.660 1.876 3.721 . 0 0 "[ . 1]" 1
513 1 87 ARG H 1 88 LEU H 0.000 . 5.000 4.190 4.065 4.331 . 0 0 "[ . 1]" 1
514 1 21 LEU HA 1 88 LEU H 0.000 . 3.500 3.281 2.873 3.768 0.268 5 0 "[ . 1]" 1
515 1 88 LEU HA 1 89 THR H 0.000 . 2.800 2.216 2.197 2.250 . 0 0 "[ . 1]" 1
516 1 88 LEU QB 1 89 THR H 0.000 . 5.000 3.609 3.375 3.810 . 0 0 "[ . 1]" 1
517 1 88 LEU QD 1 89 THR H 0.000 . 5.000 3.234 2.191 4.338 . 0 0 "[ . 1]" 1
518 1 56 PHE HA 1 89 THR H 0.000 . 3.500 2.467 2.034 2.858 . 0 0 "[ . 1]" 1
519 1 88 LEU H 1 89 THR H 0.000 . 5.000 4.421 4.301 4.515 . 0 0 "[ . 1]" 1
520 1 3 SER HA 1 3 SER HB3 0.000 . 2.800 2.476 2.264 2.844 0.044 10 0 "[ . 1]" 1
521 1 5 SER HA 1 5 SER QB 0.000 . 2.800 2.317 2.180 2.551 . 0 0 "[ . 1]" 1
522 1 6 ILE HA 1 6 ILE MG 0.000 . 3.500 2.181 2.040 2.391 . 0 0 "[ . 1]" 1
523 1 7 LEU HA 1 7 LEU QB 0.000 . 2.800 2.507 2.488 2.542 . 0 0 "[ . 1]" 1
524 1 7 LEU HA 1 7 LEU MD1 0.000 . 2.800 1.997 1.836 2.246 . 0 0 "[ . 1]" 1
525 1 7 LEU HA 1 7 LEU MD2 0.000 . 3.500 2.261 1.818 2.560 . 0 0 "[ . 1]" 1
526 1 6 ILE MG 1 7 LEU HA 0.000 . 5.000 4.424 4.000 5.051 0.051 1 0 "[ . 1]" 1
527 1 8 ILE HG12 1 8 ILE MG 0.000 . 3.500 2.419 2.000 2.833 . 0 0 "[ . 1]" 1
528 1 10 GLU HA 1 10 GLU HB2 0.000 . 2.800 2.561 2.462 2.672 . 0 0 "[ . 1]" 1
529 1 14 THR HA 1 14 THR HB 0.000 . 2.800 2.752 2.432 2.908 0.108 2 0 "[ . 1]" 1
530 1 14 THR HA 1 14 THR MG 0.000 . 2.800 2.053 1.915 2.415 . 0 0 "[ . 1]" 1
531 1 14 THR HA 1 15 THR MG 0.000 . 6.000 3.789 3.595 4.409 . 0 0 "[ . 1]" 1
532 1 15 THR HA 1 15 THR HB 0.000 . 2.800 2.463 2.381 2.782 . 0 0 "[ . 1]" 1
533 1 15 THR HA 1 15 THR MG 0.000 . 3.500 3.073 2.100 3.196 . 0 0 "[ . 1]" 1
534 1 15 THR MG 1 74 LEU QD 0.000 . 5.000 2.574 1.772 3.755 . 0 0 "[ . 1]" 1
535 1 16 ASN HA 1 30 LYS HA 0.000 . 2.800 1.839 1.815 1.895 . 0 0 "[ . 1]" 1
536 1 17 ILE HA 1 17 ILE QG 0.000 . 3.500 2.615 2.208 3.236 . 0 0 "[ . 1]" 1
537 1 17 ILE MD 1 84 ILE MG 0.000 . 3.500 2.612 1.812 3.150 . 0 0 "[ . 1]" 1
538 1 18 GLN HA 1 28 VAL HA 0.000 . 2.800 2.342 2.125 2.493 . 0 0 "[ . 1]" 1
539 1 18 GLN HA 1 28 VAL MG1 0.000 . 5.000 3.925 3.537 4.608 . 0 0 "[ . 1]" 1
540 1 18 GLN HA 1 28 VAL MG2 0.000 . 5.000 3.913 3.529 4.486 . 0 0 "[ . 1]" 1
541 1 19 ILE HA 1 19 ILE HB 0.000 . 2.800 2.438 2.257 2.918 0.118 4 0 "[ . 1]" 1
542 1 19 ILE HA 1 19 ILE QG 0.000 . 3.500 2.750 2.169 3.274 . 0 0 "[ . 1]" 1
543 1 19 ILE HA 1 19 ILE MG 0.000 . 3.500 2.923 2.512 3.168 . 0 0 "[ . 1]" 1
544 1 19 ILE HB 1 19 ILE MD 0.000 . 3.500 2.245 1.952 2.404 . 0 0 "[ . 1]" 1
545 1 19 ILE MD 1 19 ILE MG 0.000 . 2.800 2.004 1.624 2.521 . 0 0 "[ . 1]" 1
546 1 20 ARG HA 1 20 ARG HG3 0.000 . 3.500 2.841 2.227 3.275 . 0 0 "[ . 1]" 1
547 1 20 ARG HA 1 20 ARG HG2 0.000 . 3.500 2.503 1.948 3.281 . 0 0 "[ . 1]" 1
548 1 21 LEU HA 1 21 LEU HB2 0.000 . 2.800 2.808 2.659 2.977 0.177 2 0 "[ . 1]" 1
549 1 21 LEU HB3 1 21 LEU HG 0.000 . 2.800 2.629 2.304 2.874 0.074 9 0 "[ . 1]" 1
550 1 23 ASP HA 1 23 ASP HB3 0.000 . 2.800 2.769 2.442 2.997 0.197 3 0 "[ . 1]" 1
551 1 23 ASP HA 1 23 ASP HB2 0.000 . 2.800 2.679 2.353 2.857 0.057 10 0 "[ . 1]" 1
552 1 20 ARG HA 1 26 ARG HA 0.000 . 2.800 2.149 1.480 2.697 . 0 0 "[ . 1]" 1
553 1 26 ARG HA 1 26 ARG QB 0.000 . 2.800 2.439 2.270 2.550 . 0 0 "[ . 1]" 1
554 1 26 ARG HA 1 26 ARG HD2 0.000 . 3.500 3.155 1.914 3.514 0.014 3 0 "[ . 1]" 1
555 1 26 ARG HA 1 26 ARG HG3 0.000 . 3.500 2.791 1.984 3.528 0.028 9 0 "[ . 1]" 1
556 1 26 ARG QB 1 26 ARG QD 0.000 . 3.500 2.132 1.947 2.629 . 0 0 "[ . 1]" 1
557 1 27 LEU HA 1 27 LEU QB 0.000 . 2.800 2.423 2.223 2.536 . 0 0 "[ . 1]" 1
558 1 27 LEU HA 1 27 LEU QD 0.000 . 2.800 2.475 1.969 2.815 0.015 7 0 "[ . 1]" 1
559 1 18 GLN HB3 1 28 VAL HA 0.000 . 5.000 4.159 3.630 4.745 . 0 0 "[ . 1]" 1
560 1 18 GLN HB2 1 28 VAL HA 0.000 . 5.000 4.246 3.422 5.042 0.042 5 0 "[ . 1]" 1
561 1 28 VAL HA 1 28 VAL MG1 0.000 . 2.800 2.464 2.142 2.912 0.112 4 0 "[ . 1]" 1
562 1 28 VAL HA 1 28 VAL MG2 0.000 . 2.800 2.433 2.112 2.921 0.121 9 0 "[ . 1]" 1
563 1 30 LYS HA 1 30 LYS QD 0.000 . 5.000 3.489 2.250 4.151 . 0 0 "[ . 1]" 1
564 1 30 LYS HA 1 30 LYS QG 0.000 . 3.500 2.468 2.041 3.050 . 0 0 "[ . 1]" 1
565 1 31 PHE QE 1 43 PHE HB3 0.000 . 5.000 4.663 4.167 5.034 0.034 2 0 "[ . 1]" 1
566 1 31 PHE QE 1 43 PHE HB2 0.000 . 5.000 4.157 3.959 4.542 . 0 0 "[ . 1]" 1
567 1 31 PHE HZ 1 37 ILE MD 0.000 . 5.000 4.454 4.053 4.741 . 0 0 "[ . 1]" 1
568 1 31 PHE HZ 1 37 ILE MG 0.000 . 5.000 4.066 3.632 4.461 . 0 0 "[ . 1]" 1
569 1 31 PHE HZ 1 44 ILE MD 0.000 . 5.000 4.056 3.400 4.660 . 0 0 "[ . 1]" 1
570 1 31 PHE HZ 1 43 PHE HB3 0.000 . 5.000 4.147 3.853 4.518 . 0 0 "[ . 1]" 1
571 1 31 PHE HZ 1 43 PHE HB2 0.000 . 5.000 4.444 4.011 5.003 0.003 8 0 "[ . 1]" 1
572 1 15 THR MG 1 31 PHE QD 0.000 . 5.000 3.317 3.014 4.690 . 0 0 "[ . 1]" 1
573 1 17 ILE QG 1 31 PHE QD 0.000 . 3.500 2.256 1.688 3.118 . 0 0 "[ . 1]" 1
574 1 31 PHE HA 1 31 PHE QD 0.000 . 3.500 1.848 1.708 2.090 . 0 0 "[ . 1]" 1
575 1 31 PHE QD 1 35 HIS HB3 0.000 . 5.000 4.705 4.390 5.067 0.067 7 0 "[ . 1]" 1
576 1 31 PHE QD 1 35 HIS HB2 0.000 . 5.000 4.889 4.609 5.043 0.043 6 0 "[ . 1]" 1
577 1 31 PHE QD 1 37 ILE MD 0.000 . 5.000 3.492 3.190 3.838 . 0 0 "[ . 1]" 1
578 1 31 PHE QD 1 37 ILE HG12 0.000 . 5.000 4.777 3.153 5.018 0.018 7 0 "[ . 1]" 1
579 1 31 PHE QD 1 37 ILE MG 0.000 . 5.000 4.660 4.423 4.723 . 0 0 "[ . 1]" 1
580 1 31 PHE QD 1 74 LEU QD 0.000 . 5.000 3.027 2.608 3.295 . 0 0 "[ . 1]" 1
581 1 17 ILE QG 1 31 PHE QE 0.000 . 3.500 2.952 2.477 3.509 0.009 2 0 "[ . 1]" 1
582 1 31 PHE QE 1 37 ILE MD 0.000 . 5.000 3.290 2.963 3.853 . 0 0 "[ . 1]" 1
583 1 31 PHE QE 1 37 ILE MG 0.000 . 5.000 3.652 3.260 3.984 . 0 0 "[ . 1]" 1
584 1 31 PHE QE 1 44 ILE MD 0.000 . 5.000 3.771 3.501 3.961 . 0 0 "[ . 1]" 1
585 1 14 THR HA 1 32 ASN HA 0.000 . 2.800 2.766 2.480 2.843 0.043 2 0 "[ . 1]" 1
586 1 14 THR HB 1 32 ASN HA 0.000 . 5.000 3.546 2.867 4.552 . 0 0 "[ . 1]" 1
587 1 14 THR MG 1 32 ASN HA 0.000 . 5.000 2.017 1.660 3.141 . 0 0 "[ . 1]" 1
588 1 32 ASN HA 1 74 LEU QD 0.000 . 5.000 4.724 4.185 4.947 . 0 0 "[ . 1]" 1
589 1 32 ASN QB 1 74 LEU QD 0.000 . 5.000 4.247 3.774 4.595 . 0 0 "[ . 1]" 1
590 1 33 HIS HA 1 80 LEU QD 0.000 . 5.000 2.218 1.752 3.191 . 0 0 "[ . 1]" 1
591 1 14 THR HA 1 33 HIS HD2 0.000 . 3.500 3.134 2.525 3.517 0.017 9 0 "[ . 1]" 1
592 1 15 THR HB 1 33 HIS HD2 0.000 . 3.500 2.690 2.103 3.481 . 0 0 "[ . 1]" 1
593 1 15 THR HA 1 33 HIS HD2 0.000 . 5.000 4.099 3.227 5.003 0.003 9 0 "[ . 1]" 1
594 1 15 THR MG 1 33 HIS HD2 0.000 . 3.500 2.177 1.820 3.091 . 0 0 "[ . 1]" 1
595 1 32 ASN HA 1 33 HIS HD2 0.000 . 3.500 3.469 3.114 3.569 0.069 4 0 "[ . 1]" 1
596 1 33 HIS HA 1 33 HIS HD2 0.000 . 3.500 2.510 2.417 2.775 . 0 0 "[ . 1]" 1
597 1 33 HIS HD2 1 80 LEU QD 0.000 . 3.500 2.475 1.733 3.356 . 0 0 "[ . 1]" 1
598 1 33 HIS HE1 1 80 LEU QD 0.000 . 5.000 3.785 3.114 4.224 . 0 0 "[ . 1]" 1
599 1 34 SER HA 1 34 SER HB3 0.000 . 2.800 2.386 2.284 2.492 . 0 0 "[ . 1]" 1
600 1 34 SER HA 1 34 SER HB2 0.000 . 2.800 2.555 2.430 2.725 . 0 0 "[ . 1]" 1
601 1 35 HIS HA 1 35 HIS HD2 0.000 . 5.000 4.038 2.772 4.732 . 0 0 "[ . 1]" 1
602 1 35 HIS HD2 1 74 LEU QD 0.000 . 5.000 2.917 1.807 3.698 . 0 0 "[ . 1]" 1
603 1 31 PHE HA 1 35 HIS HE1 0.000 . 5.000 4.284 3.589 5.071 0.071 3 0 "[ . 1]" 1
604 1 31 PHE QD 1 35 HIS HE1 0.000 . 5.000 2.731 1.917 3.701 . 0 0 "[ . 1]" 1
605 1 35 HIS HB3 1 35 HIS HE1 0.000 . 5.000 5.009 4.721 5.251 0.251 6 0 "[ . 1]" 1
606 1 35 HIS HE1 1 74 LEU QD 0.000 . 3.500 2.595 1.957 3.234 . 0 0 "[ . 1]" 1
607 1 36 ARG HA 1 36 ARG HG3 0.000 . 3.500 3.492 3.377 3.568 0.068 3 0 "[ . 1]" 1
608 1 36 ARG QB 1 80 LEU QD 0.000 . 6.000 7.444 6.706 7.816 1.816 1 10 [+******-**] 1
609 1 37 ILE HA 1 37 ILE MD 0.000 . 3.500 2.872 2.638 3.440 . 0 0 "[ . 1]" 1
610 1 37 ILE HA 1 37 ILE MG 0.000 . 3.500 2.404 2.241 2.930 . 0 0 "[ . 1]" 1
611 1 37 ILE HA 1 74 LEU QD 0.000 . 5.000 2.872 2.038 3.311 . 0 0 "[ . 1]" 1
612 1 37 ILE HG12 1 74 LEU QD 0.000 . 5.000 1.763 1.576 2.007 . 0 0 "[ . 1]" 1
613 1 37 ILE MD 1 37 ILE MG 0.000 . 2.800 1.636 1.573 1.685 . 0 0 "[ . 1]" 1
614 1 38 SER HA 1 38 SER QB 0.000 . 2.800 2.440 2.199 2.553 . 0 0 "[ . 1]" 1
615 1 38 SER HA 1 41 ARG QB 0.000 . 3.500 3.481 2.972 3.560 0.060 8 0 "[ . 1]" 1
616 1 74 LEU HA 1 74 LEU HG 0.000 . 3.500 3.408 3.282 3.508 0.008 1 0 "[ . 1]" 1
617 1 37 ILE MD 1 74 LEU QD 0.000 . 3.500 2.144 1.954 2.704 . 0 0 "[ . 1]" 1
618 1 74 LEU MD1 1 74 LEU MD2 0.000 . 2.800 2.047 1.960 2.083 . 0 0 "[ . 1]" 1
619 1 37 ILE MD 1 74 LEU HG 0.000 . 5.000 3.946 3.370 4.530 . 0 0 "[ . 1]" 1
620 1 74 LEU QB 1 74 LEU HG 0.000 . 2.800 2.177 2.146 2.204 . 0 0 "[ . 1]" 1
621 1 41 ARG HA 1 44 ILE HB 0.000 . 3.500 2.734 2.263 3.170 . 0 0 "[ . 1]" 1
622 1 42 LEU HA 1 42 LEU HG 0.000 . 3.500 3.110 2.025 3.588 0.088 10 0 "[ . 1]" 1
623 1 42 LEU HA 1 42 LEU MD1 0.000 . 3.500 3.252 2.173 3.860 0.360 7 0 "[ . 1]" 1
624 1 42 LEU HA 1 45 VAL HB 0.000 . 3.500 2.680 2.061 3.186 . 0 0 "[ . 1]" 1
625 1 43 PHE HA 1 46 ASP HB3 0.000 . 3.500 2.980 2.019 3.501 0.001 6 0 "[ . 1]" 1
626 1 43 PHE HA 1 46 ASP HB2 0.000 . 3.500 2.978 2.169 3.485 . 0 0 "[ . 1]" 1
627 1 31 PHE HZ 1 43 PHE QD 0.000 . 5.000 4.844 4.409 5.001 0.001 8 0 "[ . 1]" 1
628 1 43 PHE HA 1 43 PHE QD 0.000 . 3.500 2.922 2.728 3.159 . 0 0 "[ . 1]" 1
629 1 43 PHE QD 1 44 ILE MD 0.000 . 5.000 2.743 1.880 3.503 . 0 0 "[ . 1]" 1
630 1 43 PHE QE 1 44 ILE MD 0.000 . 5.000 4.312 2.641 5.013 0.013 6 0 "[ . 1]" 1
631 1 44 ILE HA 1 44 ILE MD 0.000 . 2.800 2.236 1.790 2.797 . 0 0 "[ . 1]" 1
632 1 45 VAL HA 1 45 VAL QG 0.000 . 2.800 2.095 2.001 2.138 . 0 0 "[ . 1]" 1
633 1 47 ALA MB 1 49 PRO HD2 0.000 . 3.500 3.486 2.902 3.671 0.171 4 0 "[ . 1]" 1
634 1 51 MET HA 1 51 MET ME 0.000 . 3.500 2.743 1.870 3.533 0.033 4 0 "[ . 1]" 1
635 1 51 MET HA 1 51 MET HG3 0.000 . 3.500 2.671 2.002 3.581 0.081 10 0 "[ . 1]" 1
636 1 51 MET ME 1 51 MET HG2 0.000 . 3.500 2.564 1.889 3.318 . 0 0 "[ . 1]" 1
637 1 51 MET ME 1 88 LEU QD 0.000 . 3.500 2.233 1.578 3.009 . 0 0 "[ . 1]" 1
638 1 21 LEU QD 1 51 MET ME 0.000 . 3.500 2.489 1.711 3.503 0.003 9 0 "[ . 1]" 1
639 1 51 MET ME 1 57 VAL QG 0.000 . 6.000 7.345 6.591 7.848 1.848 4 10 [**-+******] 1
640 1 50 ALA MB 1 51 MET ME 0.000 . 3.500 2.580 2.030 2.955 . 0 0 "[ . 1]" 1
641 1 54 THR HA 1 54 THR HB 0.000 . 2.800 2.726 2.427 2.868 0.068 6 0 "[ . 1]" 1
642 1 54 THR HA 1 54 THR MG 0.000 . 3.500 3.045 2.896 3.185 . 0 0 "[ . 1]" 1
643 1 54 THR MG 1 88 LEU QD 0.000 . 2.800 2.188 1.554 2.818 0.018 4 0 "[ . 1]" 1
644 1 56 PHE HA 1 57 VAL QG 0.000 . 5.000 2.922 2.811 3.081 . 0 0 "[ . 1]" 1
645 1 56 PHE HA 1 88 LEU HA 0.000 . 2.800 2.376 1.966 2.620 . 0 0 "[ . 1]" 1
646 1 56 PHE HA 1 88 LEU QB 0.000 . 5.000 4.231 3.547 4.585 . 0 0 "[ . 1]" 1
647 1 56 PHE HA 1 88 LEU QD 0.000 . 5.000 3.533 2.682 4.295 . 0 0 "[ . 1]" 1
648 1 56 PHE HA 1 89 THR MG 0.000 . 3.500 3.012 2.571 3.498 . 0 0 "[ . 1]" 1
649 1 54 THR MG 1 56 PHE HA 0.000 . 5.000 4.114 3.770 4.700 . 0 0 "[ . 1]" 1
650 1 56 PHE HA 1 57 VAL HA 0.000 . 6.000 4.546 4.507 4.583 . 0 0 "[ . 1]" 1
651 1 56 PHE HB2 1 88 LEU QD 0.000 . 3.500 2.548 1.625 3.476 . 0 0 "[ . 1]" 1
652 1 56 PHE HA 1 56 PHE QD 0.000 . 3.500 3.582 3.571 3.619 0.119 1 0 "[ . 1]" 1
653 1 56 PHE QD 1 88 LEU HA 0.000 . 5.000 4.125 3.910 4.636 . 0 0 "[ . 1]" 1
654 1 54 THR MG 1 56 PHE QE 0.000 . 3.500 3.476 3.110 3.554 0.054 8 0 "[ . 1]" 1
655 1 56 PHE QE 1 57 VAL HB 0.000 . 6.000 5.992 5.773 6.033 0.033 8 0 "[ . 1]" 1
656 1 58 LEU HA 1 58 LEU QD 0.000 . 2.800 2.357 1.754 3.085 0.285 1 0 "[ . 1]" 1
657 1 58 LEU HA 1 86 GLN HA 0.000 . 2.800 2.094 1.641 2.341 . 0 0 "[ . 1]" 1
658 1 59 MET HA 1 59 MET ME 0.000 . 3.500 3.313 2.436 3.528 0.028 4 0 "[ . 1]" 1
659 1 59 MET HA 1 59 MET QG 0.000 . 3.500 2.508 1.911 3.285 . 0 0 "[ . 1]" 1
660 1 59 MET HA 1 66 GLU HA 0.000 . 2.800 2.566 2.343 2.817 0.017 1 0 "[ . 1]" 1
661 1 59 MET HA 1 60 THR MG 0.000 . 5.000 3.694 3.397 3.949 . 0 0 "[ . 1]" 1
662 1 60 THR HA 1 60 THR HB 0.000 . 2.800 2.480 2.357 2.535 . 0 0 "[ . 1]" 1
663 1 60 THR HA 1 60 THR MG 0.000 . 3.500 3.191 3.169 3.208 . 0 0 "[ . 1]" 1
664 1 60 THR HA 1 84 ILE HA 0.000 . 3.500 2.554 1.791 3.208 . 0 0 "[ . 1]" 1
665 1 61 THR HA 1 61 THR HB 0.000 . 2.800 2.638 2.456 2.896 0.096 8 0 "[ . 1]" 1
666 1 61 THR HA 1 61 THR MG 0.000 . 2.800 2.220 1.967 2.819 0.019 8 0 "[ . 1]" 1
667 1 62 PHE HA 1 62 PHE HB3 0.000 . 2.800 2.784 2.739 2.815 0.015 6 0 "[ . 1]" 1
668 1 62 PHE HA 1 62 PHE HB2 0.000 . 2.800 2.890 2.864 2.914 0.114 2 0 "[ . 1]" 1
669 1 62 PHE HA 1 62 PHE QD 0.000 . 3.500 2.664 2.199 2.935 . 0 0 "[ . 1]" 1
670 1 62 PHE HB3 1 62 PHE QD 0.000 . 2.800 2.414 2.299 2.707 . 0 0 "[ . 1]" 1
671 1 63 PRO HB3 1 63 PRO HD3 0.000 . 3.500 3.275 3.056 3.516 0.016 10 0 "[ . 1]" 1
672 1 61 THR HA 1 64 ASN HA 0.000 . 3.500 3.080 2.767 3.516 0.016 6 0 "[ . 1]" 1
673 1 64 ASN HA 1 64 ASN QB 0.000 . 2.800 2.421 2.304 2.549 . 0 0 "[ . 1]" 1
674 1 70 GLU QB 1 74 LEU HG 0.000 . 5.000 8.186 5.684 10.289 5.289 1 10 [+********-] 1
675 1 72 GLN HA 1 72 GLN QB 0.000 . 2.800 2.459 2.189 2.550 . 0 0 "[ . 1]" 1
676 1 72 GLN HA 1 72 GLN QG 0.000 . 3.500 2.297 1.958 3.246 . 0 0 "[ . 1]" 1
677 1 73 THR HA 1 73 THR HB 0.000 . 2.800 2.454 2.344 2.647 . 0 0 "[ . 1]" 1
678 1 73 THR HA 1 73 THR MG 0.000 . 3.500 2.364 2.046 2.539 . 0 0 "[ . 1]" 1
679 1 36 ARG HA 1 73 THR HA 0.000 . 5.000 4.677 4.293 5.015 0.015 8 0 "[ . 1]" 1
680 1 34 SER HA 1 73 THR HA 0.000 . 5.000 2.707 2.049 3.424 . 0 0 "[ . 1]" 1
681 1 34 SER HB3 1 73 THR HA 0.000 . 5.000 4.685 4.442 5.022 0.022 1 0 "[ . 1]" 1
682 1 34 SER HB2 1 73 THR HA 0.000 . 5.000 3.857 3.564 4.392 . 0 0 "[ . 1]" 1
683 1 34 SER HB3 1 73 THR HB 0.000 . 3.500 3.498 3.298 3.536 0.036 4 0 "[ . 1]" 1
684 1 34 SER HB2 1 73 THR HB 0.000 . 3.500 3.522 3.504 3.539 0.039 4 0 "[ . 1]" 1
685 1 40 ILE HA 1 40 ILE QG 0.000 . 3.500 2.527 2.027 3.436 . 0 0 "[ . 1]" 1
686 1 40 ILE HA 1 40 ILE MG 0.000 . 3.500 2.915 2.424 3.185 . 0 0 "[ . 1]" 1
687 1 40 ILE HA 1 43 PHE QB 0.000 . 3.500 2.499 2.166 2.784 . 0 0 "[ . 1]" 1
688 1 75 LYS HA 1 75 LYS QE 0.000 . 5.000 4.593 4.126 5.038 0.038 7 0 "[ . 1]" 1
689 1 75 LYS HA 1 75 LYS HG3 0.000 . 3.500 3.571 3.528 3.608 0.108 1 0 "[ . 1]" 1
690 1 75 LYS HA 1 80 LEU QD 0.000 . 5.000 2.041 1.669 2.904 . 0 0 "[ . 1]" 1
691 1 75 LYS HB3 1 80 LEU HG 0.000 . 5.000 4.475 2.502 5.018 0.018 3 0 "[ . 1]" 1
692 1 75 LYS HB3 1 80 LEU QD 0.000 . 3.500 2.209 1.819 3.250 . 0 0 "[ . 1]" 1
693 1 76 GLU HA 1 76 GLU HB2 0.000 . 2.800 2.764 2.258 2.877 0.077 3 0 "[ . 1]" 1
694 1 76 GLU HA 1 76 GLU HG2 0.000 . 3.500 2.372 1.933 3.535 0.035 9 0 "[ . 1]" 1
695 1 78 ASN HA 1 78 ASN HB3 0.000 . 2.800 2.794 2.739 2.831 0.031 3 0 "[ . 1]" 1
696 1 79 LEU HA 1 79 LEU HG 0.000 . 3.500 2.918 1.976 3.521 0.021 2 0 "[ . 1]" 1
697 1 79 LEU HA 1 79 LEU QB 0.000 . 2.800 2.460 2.313 2.549 . 0 0 "[ . 1]" 1
698 1 80 LEU HA 1 80 LEU HG 0.000 . 3.500 2.835 2.257 3.558 0.058 7 0 "[ . 1]" 1
699 1 80 LEU HA 1 80 LEU QD 0.000 . 3.500 2.342 1.713 3.227 . 0 0 "[ . 1]" 1
700 1 80 LEU QB 1 80 LEU QD 0.000 . 2.800 1.865 1.735 1.981 . 0 0 "[ . 1]" 1
701 1 80 LEU MD1 1 80 LEU MD2 0.000 . 2.800 2.012 1.882 2.064 . 0 0 "[ . 1]" 1
702 1 81 ASN HA 1 81 ASN HB3 0.000 . 2.800 2.573 2.298 2.854 0.054 6 0 "[ . 1]" 1
703 1 81 ASN HB2 1 83 VAL MG1 0.000 . 5.000 3.920 2.218 5.011 0.011 2 0 "[ . 1]" 1
704 1 81 ASN HA 1 83 VAL MG1 0.000 . 5.000 4.654 4.074 4.897 . 0 0 "[ . 1]" 1
705 1 83 VAL HA 1 83 VAL MG1 0.000 . 3.500 3.181 3.174 3.192 . 0 0 "[ . 1]" 1
706 1 83 VAL HA 1 83 VAL MG2 0.000 . 3.500 2.417 2.307 2.512 . 0 0 "[ . 1]" 1
707 1 83 VAL MG1 1 83 VAL MG2 0.000 . 2.800 1.981 1.868 2.079 . 0 0 "[ . 1]" 1
708 1 84 ILE HA 1 84 ILE MG 0.000 . 3.500 2.348 2.103 2.595 . 0 0 "[ . 1]" 1
709 1 85 VAL HA 1 85 VAL MG2 0.000 . 2.800 2.267 2.058 2.412 . 0 0 "[ . 1]" 1
710 1 88 LEU HA 1 88 LEU QB 0.000 . 2.800 2.335 2.188 2.455 . 0 0 "[ . 1]" 1
711 1 88 LEU HA 1 88 LEU MD1 0.000 . 2.800 2.552 2.309 2.890 0.090 4 0 "[ . 1]" 1
712 1 89 THR HA 1 89 THR HB 0.000 . 2.800 2.450 2.393 2.548 . 0 0 "[ . 1]" 1
713 1 51 MET HA 1 54 THR HB 0.000 . 3.500 2.431 1.972 3.510 0.010 4 0 "[ . 1]" 1
714 1 54 THR MG 1 88 LEU HG 0.000 . 5.000 4.067 3.518 5.008 0.008 3 0 "[ . 1]" 1
715 1 15 THR MG 1 80 LEU QD 0.000 . 5.000 2.869 2.165 3.957 . 0 0 "[ . 1]" 1
716 1 17 ILE HB 1 31 PHE QD 0.000 . 3.500 3.521 3.269 3.568 0.068 5 0 "[ . 1]" 1
717 1 17 ILE HB 1 31 PHE QE 0.000 . 3.500 3.367 2.966 3.544 0.044 4 0 "[ . 1]" 1
718 1 35 HIS HE1 1 74 LEU QB 0.000 . 5.000 4.690 3.667 4.924 . 0 0 "[ . 1]" 1
719 1 36 ARG HG3 1 74 LEU QD 0.000 . 5.000 4.512 4.269 4.729 . 0 0 "[ . 1]" 1
720 1 27 LEU QD 1 43 PHE HZ 0.000 . 5.000 3.279 2.757 3.518 . 0 0 "[ . 1]" 1
721 1 27 LEU QB 1 43 PHE HZ 0.000 . 5.000 6.157 5.658 6.672 1.672 1 10 [+********-] 1
722 1 27 LEU QB 1 43 PHE QD 0.000 . 5.000 6.126 5.728 6.595 1.595 8 10 [*-*****+**] 1
723 1 27 LEU QB 1 43 PHE QE 0.000 . 5.000 4.896 4.300 5.055 0.055 1 0 "[ . 1]" 1
724 1 31 PHE HZ 1 40 ILE HA 0.000 . 5.000 2.460 1.852 3.793 . 0 0 "[ . 1]" 1
725 1 31 PHE QE 1 40 ILE HA 0.000 . 5.000 3.268 2.907 3.761 . 0 0 "[ . 1]" 1
726 1 6 ILE MG 1 31 PHE QD 0.000 . 5.000 2.544 1.871 5.011 0.011 1 0 "[ . 1]" 1
727 1 6 ILE MD 1 31 PHE QD 0.000 . 5.000 3.326 2.571 4.184 . 0 0 "[ . 1]" 1
728 1 6 ILE MG 1 31 PHE QE 0.000 . 5.000 2.766 1.838 4.962 . 0 0 "[ . 1]" 1
729 1 6 ILE MD 1 31 PHE QE 0.000 . 5.000 2.211 1.773 3.521 . 0 0 "[ . 1]" 1
730 1 6 ILE MG 1 35 HIS HD2 0.000 . 5.000 4.758 3.052 5.058 0.058 7 0 "[ . 1]" 1
731 1 6 ILE MG 1 35 HIS HE1 0.000 . 5.000 4.308 3.758 5.015 0.015 9 0 "[ . 1]" 1
732 1 6 ILE MD 1 35 HIS HE1 0.000 . 5.000 4.220 2.958 5.018 0.018 6 0 "[ . 1]" 1
733 1 6 ILE QG 1 43 PHE HZ 0.000 . 5.000 5.025 4.990 5.048 0.048 1 0 "[ . 1]" 1
734 1 7 LEU MD2 1 43 PHE HZ 0.000 . 5.000 4.618 3.922 4.986 . 0 0 "[ . 1]" 1
735 1 6 ILE QG 1 43 PHE QD 0.000 . 5.000 1.889 1.684 2.519 . 0 0 "[ . 1]" 1
736 1 7 LEU MD2 1 43 PHE QD 0.000 . 5.000 5.037 5.004 5.078 0.078 5 0 "[ . 1]" 1
737 1 8 ILE MD 1 33 HIS HE1 0.000 . 5.000 4.998 4.500 5.093 0.093 5 0 "[ . 1]" 1
738 1 6 ILE QG 1 43 PHE QE 0.000 . 5.000 3.025 2.755 3.379 . 0 0 "[ . 1]" 1
739 1 7 LEU MD2 1 43 PHE QE 0.000 . 5.000 3.631 3.403 3.907 . 0 0 "[ . 1]" 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 54
_Distance_constraint_stats_list.Viol_count 120
_Distance_constraint_stats_list.Viol_total 43.319
_Distance_constraint_stats_list.Viol_max 0.104
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0361
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 15 THR 0.011 0.010 3 0 "[ . 1]"
1 16 ASN 0.528 0.084 2 0 "[ . 1]"
1 17 ILE 0.052 0.047 6 0 "[ . 1]"
1 18 GLN 0.115 0.071 8 0 "[ . 1]"
1 19 ILE 0.000 0.000 . 0 "[ . 1]"
1 20 ARG 0.476 0.077 5 0 "[ . 1]"
1 21 LEU 1.157 0.088 8 0 "[ . 1]"
1 22 ALA 0.124 0.034 3 0 "[ . 1]"
1 25 GLY 1.157 0.088 8 0 "[ . 1]"
1 27 LEU 0.000 0.000 . 0 "[ . 1]"
1 29 GLN 0.052 0.047 6 0 "[ . 1]"
1 31 PHE 0.011 0.010 3 0 "[ . 1]"
1 39 ASP 0.448 0.078 5 0 "[ . 1]"
1 40 ILE 0.000 0.000 . 0 "[ . 1]"
1 41 ARG 0.040 0.019 5 0 "[ . 1]"
1 42 LEU 0.055 0.024 9 0 "[ . 1]"
1 43 PHE 0.587 0.078 5 0 "[ . 1]"
1 44 ILE 0.363 0.084 5 0 "[ . 1]"
1 45 VAL 0.040 0.019 5 0 "[ . 1]"
1 46 ASP 0.055 0.024 9 0 "[ . 1]"
1 47 ALA 0.139 0.056 7 0 "[ . 1]"
1 48 ARG 0.363 0.084 5 0 "[ . 1]"
1 55 SER 0.261 0.051 8 0 "[ . 1]"
1 57 VAL 0.026 0.016 8 0 "[ . 1]"
1 59 MET 0.068 0.031 2 0 "[ . 1]"
1 60 THR 0.468 0.104 3 0 "[ . 1]"
1 65 LYS 0.468 0.104 3 0 "[ . 1]"
1 84 ILE 0.643 0.084 2 0 "[ . 1]"
1 85 VAL 0.068 0.031 2 0 "[ . 1]"
1 86 GLN 0.123 0.058 9 0 "[ . 1]"
1 87 ARG 0.026 0.016 8 0 "[ . 1]"
1 88 LEU 0.477 0.077 5 0 "[ . 1]"
1 89 THR 0.261 0.051 8 0 "[ . 1]"
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 21 LEU O 1 25 GLY N 0.000 . 3.300 3.335 3.301 3.369 0.069 9 0 "[ . 1]" 2
2 1 21 LEU O 1 25 GLY H 0.000 . 2.300 2.369 2.334 2.388 0.088 8 0 "[ . 1]" 2
3 1 21 LEU N 1 25 GLY O 0.000 . 3.300 2.783 2.299 3.126 . 0 0 "[ . 1]" 2
4 1 21 LEU H 1 25 GLY O 0.000 . 2.300 1.983 1.337 2.348 0.048 9 0 "[ . 1]" 2
5 1 19 ILE O 1 27 LEU N 0.000 . 3.300 2.613 2.375 3.044 . 0 0 "[ . 1]" 2
6 1 19 ILE O 1 27 LEU H 0.000 . 2.300 1.737 1.460 2.121 . 0 0 "[ . 1]" 2
7 1 19 ILE N 1 27 LEU O 0.000 . 3.300 2.737 2.478 2.943 . 0 0 "[ . 1]" 2
8 1 19 ILE H 1 27 LEU O 0.000 . 2.300 1.834 1.522 2.102 . 0 0 "[ . 1]" 2
9 1 17 ILE O 1 29 GLN N 0.000 . 3.300 2.862 2.714 3.027 . 0 0 "[ . 1]" 2
10 1 17 ILE O 1 29 GLN H 0.000 . 2.300 2.162 1.901 2.347 0.047 6 0 "[ . 1]" 2
11 1 17 ILE N 1 29 GLN O 0.000 . 3.300 2.443 2.390 2.505 . 0 0 "[ . 1]" 2
12 1 17 ILE H 1 29 GLN O 0.000 . 2.300 1.752 1.626 1.819 . 0 0 "[ . 1]" 2
13 1 15 THR O 1 31 PHE N 0.000 . 3.300 2.231 2.148 2.466 . 0 0 "[ . 1]" 2
14 1 15 THR O 1 31 PHE H 0.000 . 2.300 1.291 1.182 1.588 . 0 0 "[ . 1]" 2
15 1 15 THR N 1 31 PHE O 0.000 . 3.300 2.734 2.492 3.015 . 0 0 "[ . 1]" 2
16 1 15 THR H 1 31 PHE O 0.000 . 2.300 1.995 1.721 2.310 0.010 3 0 "[ . 1]" 2
17 1 16 ASN O 1 84 ILE N 0.000 . 3.500 3.451 3.419 3.488 . 0 0 "[ . 1]" 2
18 1 16 ASN O 1 84 ILE H 0.000 . 2.500 2.553 2.512 2.584 0.084 2 0 "[ . 1]" 2
19 1 18 GLN N 1 84 ILE O 0.000 . 3.500 3.121 2.745 3.490 . 0 0 "[ . 1]" 2
20 1 18 GLN H 1 84 ILE O 0.000 . 2.500 2.313 2.029 2.571 0.071 8 0 "[ . 1]" 2
21 1 18 GLN O 1 86 GLN N 0.000 . 3.500 2.731 2.410 3.389 . 0 0 "[ . 1]" 2
22 1 18 GLN O 1 86 GLN H 0.000 . 2.500 1.841 1.472 2.448 . 0 0 "[ . 1]" 2
23 1 20 ARG N 1 86 GLN O 0.000 . 3.500 3.293 2.749 3.486 . 0 0 "[ . 1]" 2
24 1 20 ARG H 1 86 GLN O 0.000 . 2.500 2.366 1.777 2.558 0.058 9 0 "[ . 1]" 2
25 1 20 ARG O 1 88 LEU N 0.000 . 3.500 3.471 3.419 3.516 0.016 2 0 "[ . 1]" 2
26 1 20 ARG O 1 88 LEU H 0.000 . 2.500 2.532 2.503 2.577 0.077 5 0 "[ . 1]" 2
27 1 22 ALA N 1 88 LEU O 0.000 . 3.500 3.023 2.570 3.267 . 0 0 "[ . 1]" 2
28 1 22 ALA H 1 88 LEU O 0.000 . 2.500 2.387 2.053 2.534 0.034 3 0 "[ . 1]" 2
29 1 59 MET O 1 85 VAL N 0.000 . 3.300 3.016 2.697 3.256 . 0 0 "[ . 1]" 2
30 1 59 MET O 1 85 VAL H 0.000 . 2.300 2.127 1.819 2.331 0.031 2 0 "[ . 1]" 2
31 1 59 MET N 1 85 VAL O 0.000 . 3.300 3.014 2.480 3.244 . 0 0 "[ . 1]" 2
32 1 59 MET H 1 85 VAL O 0.000 . 2.300 2.102 1.633 2.316 0.016 3 0 "[ . 1]" 2
33 1 57 VAL O 1 87 ARG N 0.000 . 3.300 2.945 2.736 3.074 . 0 0 "[ . 1]" 2
34 1 57 VAL O 1 87 ARG H 0.000 . 2.300 1.998 1.771 2.130 . 0 0 "[ . 1]" 2
35 1 57 VAL N 1 87 ARG O 0.000 . 3.300 3.006 2.668 3.291 . 0 0 "[ . 1]" 2
36 1 57 VAL H 1 87 ARG O 0.000 . 2.300 2.056 1.695 2.316 0.016 8 0 "[ . 1]" 2
37 1 55 SER O 1 89 THR N 0.000 . 3.300 3.199 3.024 3.281 . 0 0 "[ . 1]" 2
38 1 55 SER O 1 89 THR H 0.000 . 2.300 2.319 2.250 2.351 0.051 8 0 "[ . 1]" 2
39 1 60 THR O 1 65 LYS N 0.000 . 3.300 3.156 3.126 3.187 . 0 0 "[ . 1]" 2
40 1 60 THR O 1 65 LYS H 0.000 . 2.300 2.343 2.260 2.404 0.104 3 0 "[ . 1]" 2
41 1 60 THR N 1 65 LYS O 0.000 . 3.300 2.963 2.697 3.121 . 0 0 "[ . 1]" 2
42 1 60 THR H 1 65 LYS O 0.000 . 2.300 2.035 1.774 2.209 . 0 0 "[ . 1]" 2
43 1 39 ASP O 1 43 PHE N 0.000 . 3.300 3.264 3.197 3.297 . 0 0 "[ . 1]" 2
44 1 39 ASP O 1 43 PHE H 0.000 . 2.300 2.345 2.308 2.378 0.078 5 0 "[ . 1]" 2
45 1 40 ILE O 1 44 ILE N 0.000 . 3.300 2.743 2.552 2.926 . 0 0 "[ . 1]" 2
46 1 40 ILE O 1 44 ILE H 0.000 . 2.300 1.784 1.596 1.976 . 0 0 "[ . 1]" 2
47 1 41 ARG O 1 45 VAL N 0.000 . 3.300 2.971 2.470 3.275 . 0 0 "[ . 1]" 2
48 1 41 ARG O 1 45 VAL H 0.000 . 2.300 2.063 1.533 2.319 0.019 5 0 "[ . 1]" 2
49 1 42 LEU O 1 46 ASP N 0.000 . 3.300 2.896 2.493 3.258 . 0 0 "[ . 1]" 2
50 1 42 LEU O 1 46 ASP H 0.000 . 2.300 2.131 1.685 2.324 0.024 9 0 "[ . 1]" 2
51 1 43 PHE O 1 47 ALA N 0.000 . 3.300 2.988 2.400 3.308 0.008 7 0 "[ . 1]" 2
52 1 43 PHE O 1 47 ALA H 0.000 . 2.300 2.159 1.643 2.356 0.056 7 0 "[ . 1]" 2
53 1 44 ILE O 1 48 ARG N 0.000 . 3.300 2.598 2.336 2.933 . 0 0 "[ . 1]" 2
54 1 44 ILE O 1 48 ARG H 0.000 . 2.300 2.327 2.209 2.384 0.084 5 0 "[ . 1]" 2
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