NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
622994 |
5y3u   |
36110 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5y3u
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 437
_Distance_constraint_stats_list.Viol_count 1027
_Distance_constraint_stats_list.Viol_total 1927.872
_Distance_constraint_stats_list.Viol_max 0.596
_Distance_constraint_stats_list.Viol_rms 0.0428
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0939
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ARG 3.898 0.255 12 0 "[ . 1 . 2]"
1 3 LEU 9.274 0.255 12 0 "[ . 1 . 2]"
1 4 ILE 9.183 0.152 4 0 "[ . 1 . 2]"
1 5 HIS 5.242 0.185 3 0 "[ . 1 . 2]"
1 6 ALA 9.073 0.250 14 0 "[ . 1 . 2]"
1 7 VAL 13.225 0.131 10 0 "[ . 1 . 2]"
1 8 ARG 10.676 0.250 14 0 "[ . 1 . 2]"
1 9 GLY 4.056 0.127 5 0 "[ . 1 . 2]"
1 10 TYR 8.369 0.275 20 0 "[ . 1 . 2]"
1 11 TRP 4.623 0.585 4 1 "[ +. 1 . 2]"
1 12 LEU 9.663 0.370 9 0 "[ . 1 . 2]"
1 13 THR 10.261 0.370 9 0 "[ . 1 . 2]"
1 14 ASN 11.013 0.419 20 0 "[ . 1 . 2]"
1 15 LYS 8.705 0.585 4 1 "[ +. 1 . 2]"
1 16 VAL 6.311 0.242 2 0 "[ . 1 . 2]"
1 17 PRO 4.429 0.141 18 0 "[ . 1 . 2]"
1 18 ILE 3.394 0.209 16 0 "[ . 1 . 2]"
1 19 LYS 6.764 0.422 4 0 "[ . 1 . 2]"
1 20 ARG 18.011 0.596 18 7 "[ * .** 1- * +*2]"
1 21 PRO 4.661 0.439 15 0 "[ . 1 . 2]"
1 22 SER 1.317 0.465 14 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 1 LEU HA 1 1 LEU HB2 2.608 . 3.458 2.756 2.431 3.023 . 0 0 "[ . 1 . 2]" 1
2 1 1 LEU HA 1 1 LEU HB3 2.556 . 3.373 2.607 2.266 3.024 . 0 0 "[ . 1 . 2]" 1
3 1 1 LEU HA 1 1 LEU MD2 2.061 . 2.592 2.395 1.919 2.560 . 0 0 "[ . 1 . 2]" 1
4 1 1 LEU HA 1 2 ARG HB2 2.525 . 6.000 4.289 3.852 4.785 . 0 0 "[ . 1 . 2]" 1
5 1 2 ARG HA 1 2 ARG HB2 2.296 . 2.955 2.292 2.204 2.392 . 0 0 "[ . 1 . 2]" 1
6 1 2 ARG HA 1 2 ARG HB3 2.452 . 3.204 2.901 2.521 3.005 . 0 0 "[ . 1 . 2]" 1
7 1 2 ARG HA 1 2 ARG HD3 2.757 . 3.707 2.706 1.903 3.837 0.130 17 0 "[ . 1 . 2]" 1
8 1 2 ARG HA 1 3 LEU H 2.581 . 3.414 2.441 2.072 2.758 . 0 0 "[ . 1 . 2]" 1
9 1 2 ARG HA 1 4 ILE H 3.621 . 5.260 4.885 4.122 5.283 0.023 12 0 "[ . 1 . 2]" 1
10 1 2 ARG HA 1 6 ALA MB 3.293 . 4.649 3.849 3.615 4.037 . 0 0 "[ . 1 . 2]" 1
11 1 2 ARG HB2 1 3 LEU H 3.017 . 4.155 3.955 3.215 4.336 0.181 14 0 "[ . 1 . 2]" 1
12 1 2 ARG HB3 1 2 ARG HD3 2.493 . 6.000 3.738 3.155 4.218 . 0 0 "[ . 1 . 2]" 1
13 1 2 ARG HB3 1 3 LEU H 3.061 . 4.232 3.065 1.855 4.007 0.035 5 0 "[ . 1 . 2]" 1
14 1 2 ARG HB3 1 3 LEU HA 3.142 . 4.376 4.425 4.171 4.626 0.250 14 0 "[ . 1 . 2]" 1
15 1 2 ARG HB3 1 4 ILE H 3.180 . 4.444 3.889 2.699 4.475 0.031 20 0 "[ . 1 . 2]" 1
16 1 2 ARG HB3 1 5 HIS H 3.315 . 4.688 2.721 2.436 3.162 . 0 0 "[ . 1 . 2]" 1
17 1 2 ARG HB3 1 5 HIS HD2 3.312 . 4.683 2.362 1.977 2.732 . 0 0 "[ . 1 . 2]" 1
18 1 2 ARG HB3 1 6 ALA H 3.727 . 5.464 3.882 3.395 4.546 . 0 0 "[ . 1 . 2]" 1
19 1 2 ARG HB3 1 6 ALA MB 3.499 . 5.030 4.484 4.065 5.034 0.004 3 0 "[ . 1 . 2]" 1
20 1 2 ARG HB3 1 7 VAL MG2 3.629 . 5.276 5.155 5.099 5.196 . 0 0 "[ . 1 . 2]" 1
21 1 2 ARG QG 1 3 LEU H 2.997 . 4.120 2.387 1.619 3.855 0.255 12 0 "[ . 1 . 2]" 1
22 1 2 ARG QG 1 4 ILE H 3.211 . 4.499 3.459 2.727 4.476 . 0 0 "[ . 1 . 2]" 1
23 1 2 ARG QG 1 5 HIS HD2 3.701 . 5.413 2.286 1.957 2.727 0.032 4 0 "[ . 1 . 2]" 1
24 1 2 ARG QG 1 5 HIS HE1 3.660 . 5.334 4.919 4.253 5.200 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU H 1 3 LEU HA 2.651 . 3.530 2.855 2.714 2.904 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU H 1 3 LEU HB3 2.238 . 2.864 2.394 2.325 2.451 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU H 1 3 LEU MD1 3.125 . 4.346 4.186 4.108 4.245 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU H 1 3 LEU MD2 3.185 . 4.453 4.285 4.231 4.331 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU H 1 4 ILE H 3.018 . 4.157 2.709 2.361 3.058 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU HA 1 3 LEU MD1 2.258 . 2.895 2.110 2.052 2.185 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU HA 1 4 ILE H 2.607 . 3.456 3.537 3.519 3.552 0.096 15 0 "[ . 1 . 2]" 1
32 1 3 LEU HA 1 5 HIS H 3.172 . 4.430 4.402 4.252 4.472 0.042 11 0 "[ . 1 . 2]" 1
33 1 3 LEU HA 1 5 HIS HD2 3.499 . 6.000 5.736 5.505 5.949 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU HA 1 6 ALA H 2.362 . 3.059 2.804 2.786 2.821 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU HA 1 7 VAL MG2 2.857 . 3.877 3.685 3.514 3.849 . 0 0 "[ . 1 . 2]" 1
36 1 3 LEU HB3 1 3 LEU MD1 1.955 . 6.000 3.195 3.191 3.199 . 0 0 "[ . 1 . 2]" 1
37 1 3 LEU HB3 1 3 LEU MD2 1.931 . 2.397 2.358 2.328 2.381 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU HB3 1 4 ILE H 2.452 . 3.203 2.210 2.101 2.375 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU HB3 1 4 ILE HG12 3.153 . 4.396 3.051 2.814 3.221 . 0 0 "[ . 1 . 2]" 1
40 1 3 LEU HB3 1 4 ILE MG 3.209 . 6.000 5.311 5.214 5.381 . 0 0 "[ . 1 . 2]" 1
41 1 3 LEU HB3 1 5 HIS H 3.289 . 4.641 4.638 4.470 4.704 0.063 4 0 "[ . 1 . 2]" 1
42 1 3 LEU HB3 1 6 ALA H 3.298 . 6.000 5.369 5.230 5.457 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU HB3 1 6 ALA MB 2.551 . 6.000 5.256 5.150 5.377 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU HB3 1 7 VAL HB 3.527 . 6.000 5.952 5.699 6.043 0.043 6 0 "[ . 1 . 2]" 1
45 1 3 LEU HB3 1 7 VAL MG2 2.456 . 6.000 4.477 4.157 4.667 . 0 0 "[ . 1 . 2]" 1
46 1 3 LEU MD1 1 4 ILE H 3.185 . 4.453 4.026 3.927 4.173 . 0 0 "[ . 1 . 2]" 1
47 1 3 LEU MD1 1 4 ILE HA 2.666 . 6.000 4.056 3.968 4.173 . 0 0 "[ . 1 . 2]" 1
48 1 3 LEU MD1 1 4 ILE HG12 3.215 . 4.507 4.606 4.563 4.659 0.152 4 0 "[ . 1 . 2]" 1
49 1 3 LEU MD1 1 4 ILE MG 2.564 . 6.000 5.507 5.413 5.578 . 0 0 "[ . 1 . 2]" 1
50 1 3 LEU MD1 1 6 ALA H 3.235 . 4.544 4.453 4.335 4.544 . 0 0 "[ . 1 . 2]" 1
51 1 3 LEU MD1 1 6 ALA MB 2.452 . 3.203 3.271 3.207 3.330 0.127 19 0 "[ . 1 . 2]" 1
52 1 3 LEU HG 1 4 ILE H 3.415 . 4.873 3.041 2.877 3.333 . 0 0 "[ . 1 . 2]" 1
53 1 3 LEU HG 1 4 ILE HA 2.874 . 3.906 3.087 2.963 3.177 . 0 0 "[ . 1 . 2]" 1
54 1 4 ILE H 1 4 ILE HA 2.433 . 3.173 2.799 2.768 2.855 . 0 0 "[ . 1 . 2]" 1
55 1 4 ILE H 1 4 ILE HB 2.282 . 2.933 2.371 2.334 2.410 . 0 0 "[ . 1 . 2]" 1
56 1 4 ILE H 1 4 ILE MD 2.969 . 4.071 3.456 3.286 3.571 . 0 0 "[ . 1 . 2]" 1
57 1 4 ILE H 1 4 ILE HG12 2.787 . 3.758 2.268 2.134 2.413 . 0 0 "[ . 1 . 2]" 1
58 1 4 ILE H 1 4 ILE HG13 2.758 . 3.709 3.615 3.532 3.723 0.014 3 0 "[ . 1 . 2]" 1
59 1 4 ILE H 1 4 ILE MG 2.450 . 6.000 3.727 3.713 3.741 . 0 0 "[ . 1 . 2]" 1
60 1 4 ILE H 1 5 HIS H 2.811 . 3.799 2.678 2.483 2.809 . 0 0 "[ . 1 . 2]" 1
61 1 4 ILE H 1 6 ALA H 3.566 . 5.156 4.008 3.805 4.148 . 0 0 "[ . 1 . 2]" 1
62 1 4 ILE H 1 6 ALA MB 3.515 . 5.060 4.822 4.630 4.978 . 0 0 "[ . 1 . 2]" 1
63 1 4 ILE H 1 7 VAL H 3.872 . 5.746 4.549 4.468 4.600 . 0 0 "[ . 1 . 2]" 1
64 1 4 ILE H 1 7 VAL HB 3.699 . 5.409 4.710 4.550 4.961 . 0 0 "[ . 1 . 2]" 1
65 1 4 ILE H 1 7 VAL MG2 3.406 . 4.856 4.175 3.958 4.405 . 0 0 "[ . 1 . 2]" 1
66 1 4 ILE HA 1 4 ILE HB 2.221 . 2.838 2.898 2.879 2.919 0.081 18 0 "[ . 1 . 2]" 1
67 1 4 ILE HA 1 4 ILE MD 2.473 . 3.237 1.941 1.909 1.973 . 0 0 "[ . 1 . 2]" 1
68 1 4 ILE HA 1 4 ILE HG12 2.707 . 3.623 2.828 2.755 2.928 . 0 0 "[ . 1 . 2]" 1
69 1 4 ILE HA 1 4 ILE HG13 2.668 . 3.557 3.632 3.617 3.650 0.093 6 0 "[ . 1 . 2]" 1
70 1 4 ILE HA 1 4 ILE MG 2.336 . 3.018 2.508 2.456 2.562 . 0 0 "[ . 1 . 2]" 1
71 1 4 ILE HA 1 5 HIS H 2.850 . 3.865 3.485 3.464 3.503 . 0 0 "[ . 1 . 2]" 1
72 1 4 ILE HA 1 6 ALA H 3.379 . 4.806 3.955 3.868 4.134 . 0 0 "[ . 1 . 2]" 1
73 1 4 ILE HA 1 7 VAL H 2.674 . 3.568 3.187 3.074 3.296 . 0 0 "[ . 1 . 2]" 1
74 1 4 ILE HA 1 7 VAL HB 2.376 . 3.082 2.133 1.964 2.325 . 0 0 "[ . 1 . 2]" 1
75 1 4 ILE HA 1 7 VAL MG2 2.488 . 3.262 2.679 2.574 2.849 . 0 0 "[ . 1 . 2]" 1
76 1 4 ILE HA 1 8 ARG H 3.059 . 4.228 3.748 3.636 3.895 . 0 0 "[ . 1 . 2]" 1
77 1 4 ILE HB 1 4 ILE HG12 2.457 . 3.212 2.468 2.432 2.487 . 0 0 "[ . 1 . 2]" 1
78 1 4 ILE HB 1 4 ILE HG13 2.616 . 3.471 2.431 2.416 2.463 . 0 0 "[ . 1 . 2]" 1
79 1 4 ILE HB 1 4 ILE MG 2.192 . 2.793 2.019 1.991 2.046 . 0 0 "[ . 1 . 2]" 1
80 1 4 ILE HB 1 5 HIS H 2.733 . 3.667 2.920 2.857 2.989 . 0 0 "[ . 1 . 2]" 1
81 1 4 ILE HB 1 5 HIS HD2 3.131 . 4.357 2.909 2.479 3.076 . 0 0 "[ . 1 . 2]" 1
82 1 4 ILE HB 1 6 ALA H 3.514 . 5.058 4.928 4.867 5.050 . 0 0 "[ . 1 . 2]" 1
83 1 4 ILE MD 1 4 ILE HG12 2.413 . 3.141 2.116 2.113 2.120 . 0 0 "[ . 1 . 2]" 1
84 1 4 ILE MD 1 4 ILE HG13 2.429 . 3.167 2.120 2.117 2.121 . 0 0 "[ . 1 . 2]" 1
85 1 4 ILE MD 1 4 ILE MG 2.109 . 2.665 1.981 1.929 2.015 . 0 0 "[ . 1 . 2]" 1
86 1 4 ILE MD 1 5 HIS H 3.547 . 5.119 4.736 4.676 4.764 . 0 0 "[ . 1 . 2]" 1
87 1 4 ILE MD 1 5 HIS HD2 3.806 . 5.617 5.504 5.161 5.641 0.024 4 0 "[ . 1 . 2]" 1
88 1 4 ILE MD 1 7 VAL H 3.424 . 4.890 4.572 4.440 4.692 . 0 0 "[ . 1 . 2]" 1
89 1 4 ILE MD 1 7 VAL HA 3.255 . 6.000 5.459 5.257 5.659 . 0 0 "[ . 1 . 2]" 1
90 1 4 ILE MD 1 7 VAL MG2 2.567 . 3.391 2.710 2.495 2.977 . 0 0 "[ . 1 . 2]" 1
91 1 4 ILE MD 1 8 ARG H 3.617 . 5.252 4.677 4.506 4.858 . 0 0 "[ . 1 . 2]" 1
92 1 4 ILE HG12 1 4 ILE MG 2.614 . 3.468 3.211 3.204 3.216 . 0 0 "[ . 1 . 2]" 1
93 1 4 ILE HG12 1 5 HIS H 3.559 . 5.143 4.483 4.406 4.560 . 0 0 "[ . 1 . 2]" 1
94 1 4 ILE HG12 1 7 VAL MG2 3.650 . 5.315 4.321 4.057 4.621 . 0 0 "[ . 1 . 2]" 1
95 1 4 ILE HG13 1 4 ILE MG 2.516 . 3.307 2.383 2.337 2.417 . 0 0 "[ . 1 . 2]" 1
96 1 4 ILE HG13 1 5 HIS H 3.640 . 5.296 5.198 5.134 5.244 . 0 0 "[ . 1 . 2]" 1
97 1 4 ILE MG 1 5 HIS H 2.772 . 3.733 3.433 3.294 3.531 . 0 0 "[ . 1 . 2]" 1
98 1 4 ILE MG 1 5 HIS HA 2.970 . 4.073 3.295 3.176 3.407 . 0 0 "[ . 1 . 2]" 1
99 1 4 ILE MG 1 5 HIS HD2 2.840 . 3.848 3.815 3.370 3.887 0.039 12 0 "[ . 1 . 2]" 1
100 1 4 ILE MG 1 5 HIS HE1 3.524 . 5.077 5.152 5.113 5.193 0.116 10 0 "[ . 1 . 2]" 1
101 1 4 ILE MG 1 6 ALA H 3.496 . 5.024 4.688 4.595 4.819 . 0 0 "[ . 1 . 2]" 1
102 1 4 ILE MG 1 7 VAL H 3.417 . 4.877 4.521 4.315 4.654 . 0 0 "[ . 1 . 2]" 1
103 1 4 ILE MG 1 7 VAL HA 3.398 . 6.000 5.870 5.760 5.962 . 0 0 "[ . 1 . 2]" 1
104 1 4 ILE MG 1 7 VAL MG2 2.996 . 4.118 4.142 4.017 4.234 0.116 5 0 "[ . 1 . 2]" 1
105 1 4 ILE MG 1 8 ARG H 3.552 . 5.129 3.641 3.523 3.829 . 0 0 "[ . 1 . 2]" 1
106 1 4 ILE MG 1 8 ARG HA 3.540 . 5.107 5.070 4.934 5.173 0.066 18 0 "[ . 1 . 2]" 1
107 1 4 ILE MG 1 8 ARG QB 2.971 . 4.074 3.648 3.395 3.863 . 0 0 "[ . 1 . 2]" 1
108 1 4 ILE MG 1 8 ARG HD2 2.789 . 3.761 2.678 2.326 3.781 0.020 4 0 "[ . 1 . 2]" 1
109 1 4 ILE MG 1 8 ARG HG2 3.509 . 5.048 3.708 3.564 3.840 . 0 0 "[ . 1 . 2]" 1
110 1 5 HIS H 1 5 HIS HA 2.775 . 3.737 2.877 2.853 2.895 . 0 0 "[ . 1 . 2]" 1
111 1 5 HIS H 1 5 HIS HB2 2.422 . 3.155 2.529 2.497 2.551 . 0 0 "[ . 1 . 2]" 1
112 1 5 HIS H 1 5 HIS HD2 3.479 . 4.992 2.103 1.982 2.203 . 0 0 "[ . 1 . 2]" 1
113 1 5 HIS H 1 6 ALA H 2.963 . 4.060 2.362 2.278 2.450 . 0 0 "[ . 1 . 2]" 1
114 1 5 HIS H 1 6 ALA MB 3.288 . 4.639 4.063 3.963 4.151 . 0 0 "[ . 1 . 2]" 1
115 1 5 HIS H 1 7 VAL H 3.511 . 5.052 3.778 3.652 3.863 . 0 0 "[ . 1 . 2]" 1
116 1 5 HIS H 1 7 VAL MG2 3.641 . 5.299 4.767 4.661 4.840 . 0 0 "[ . 1 . 2]" 1
117 1 5 HIS HA 1 5 HIS HD2 2.691 . 6.000 3.899 3.655 3.961 . 0 0 "[ . 1 . 2]" 1
118 1 5 HIS HA 1 6 ALA H 2.861 . 3.884 3.405 3.377 3.449 . 0 0 "[ . 1 . 2]" 1
119 1 5 HIS HA 1 6 ALA MB 3.161 . 6.000 4.933 4.912 4.965 . 0 0 "[ . 1 . 2]" 1
120 1 5 HIS HA 1 7 VAL H 3.184 . 4.451 3.525 3.109 3.836 . 0 0 "[ . 1 . 2]" 1
121 1 5 HIS HA 1 8 ARG H 3.153 . 4.396 3.535 3.333 3.784 . 0 0 "[ . 1 . 2]" 1
122 1 5 HIS HA 1 8 ARG QB 2.588 . 3.425 3.024 2.700 3.401 . 0 0 "[ . 1 . 2]" 1
123 1 5 HIS HB2 1 5 HIS HD2 2.409 . 3.135 2.947 2.908 3.069 . 0 0 "[ . 1 . 2]" 1
124 1 5 HIS HB2 1 6 ALA H 2.533 . 3.335 3.075 2.924 3.141 . 0 0 "[ . 1 . 2]" 1
125 1 5 HIS HD2 1 6 ALA MB 3.707 . 5.424 5.557 5.484 5.609 0.185 3 0 "[ . 1 . 2]" 1
126 1 6 ALA H 1 6 ALA MB 2.132 . 2.700 2.259 2.245 2.277 . 0 0 "[ . 1 . 2]" 1
127 1 6 ALA H 1 7 VAL H 2.556 . 3.373 2.166 2.133 2.196 . 0 0 "[ . 1 . 2]" 1
128 1 6 ALA H 1 7 VAL HA 3.341 . 4.736 4.842 4.813 4.867 0.131 10 0 "[ . 1 . 2]" 1
129 1 6 ALA H 1 7 VAL HB 3.317 . 4.693 4.080 4.011 4.237 . 0 0 "[ . 1 . 2]" 1
130 1 6 ALA H 1 7 VAL MG2 3.159 . 4.406 3.883 3.782 3.982 . 0 0 "[ . 1 . 2]" 1
131 1 6 ALA H 1 8 ARG H 3.569 . 5.162 4.006 3.847 4.160 . 0 0 "[ . 1 . 2]" 1
132 1 6 ALA HA 1 6 ALA MB 1.900 . 2.351 2.137 2.133 2.140 . 0 0 "[ . 1 . 2]" 1
133 1 6 ALA HA 1 7 VAL H 2.323 . 2.998 2.675 2.625 2.710 . 0 0 "[ . 1 . 2]" 1
134 1 6 ALA HA 1 8 ARG H 3.134 . 6.000 4.709 4.450 4.975 . 0 0 "[ . 1 . 2]" 1
135 1 6 ALA MB 1 7 VAL H 2.364 . 3.063 2.531 2.406 2.788 . 0 0 "[ . 1 . 2]" 1
136 1 6 ALA MB 1 7 VAL HA 2.810 . 3.797 3.869 3.820 3.918 0.121 20 0 "[ . 1 . 2]" 1
137 1 6 ALA MB 1 7 VAL HB 3.305 . 4.670 4.488 4.395 4.580 . 0 0 "[ . 1 . 2]" 1
138 1 6 ALA MB 1 7 VAL MG2 2.679 . 3.576 3.293 3.144 3.490 . 0 0 "[ . 1 . 2]" 1
139 1 6 ALA MB 1 8 ARG H 3.252 . 6.000 4.750 4.649 4.907 . 0 0 "[ . 1 . 2]" 1
140 1 6 ALA MB 1 10 TYR QD 3.665 . 6.000 5.650 5.453 5.764 . 0 0 "[ . 1 . 2]" 1
141 1 7 VAL H 1 7 VAL HA 1.988 . 2.482 2.512 2.495 2.548 0.066 5 0 "[ . 1 . 2]" 1
142 1 7 VAL H 1 7 VAL HB 2.316 . 2.987 2.332 2.297 2.373 . 0 0 "[ . 1 . 2]" 1
143 1 7 VAL H 1 7 VAL MG1 2.425 . 6.000 3.709 3.693 3.725 . 0 0 "[ . 1 . 2]" 1
144 1 7 VAL H 1 7 VAL MG2 2.184 . 2.780 2.323 2.248 2.492 . 0 0 "[ . 1 . 2]" 1
145 1 7 VAL HA 1 7 VAL HB 2.366 . 3.066 3.006 2.999 3.016 . 0 0 "[ . 1 . 2]" 1
146 1 7 VAL HA 1 7 VAL MG2 2.151 . 2.729 2.240 2.217 2.268 . 0 0 "[ . 1 . 2]" 1
147 1 7 VAL HA 1 8 ARG H 2.489 . 6.000 3.548 3.514 3.561 . 0 0 "[ . 1 . 2]" 1
148 1 7 VAL HA 1 11 TRP H 2.937 . 4.015 4.040 3.983 4.108 0.093 13 0 "[ . 1 . 2]" 1
149 1 7 VAL HA 1 10 TYR HB3 2.549 . 3.361 2.481 2.440 2.522 . 0 0 "[ . 1 . 2]" 1
150 1 7 VAL HA 1 10 TYR QD 2.826 . 3.824 3.089 3.018 3.172 . 0 0 "[ . 1 . 2]" 1
151 1 7 VAL HA 1 10 TYR QE 3.536 . 5.099 5.147 5.038 5.203 0.104 6 0 "[ . 1 . 2]" 1
152 1 7 VAL HA 1 11 TRP HD1 3.274 . 4.614 3.723 3.636 3.834 . 0 0 "[ . 1 . 2]" 1
153 1 7 VAL HA 1 11 TRP HE1 3.796 . 5.597 5.138 5.030 5.184 . 0 0 "[ . 1 . 2]" 1
154 1 7 VAL HB 1 7 VAL MG1 2.156 . 2.737 2.124 2.122 2.128 . 0 0 "[ . 1 . 2]" 1
155 1 7 VAL HB 1 7 VAL MG2 2.227 . 2.847 2.119 2.114 2.122 . 0 0 "[ . 1 . 2]" 1
156 1 7 VAL HB 1 8 ARG H 2.540 . 3.346 2.352 2.271 2.422 . 0 0 "[ . 1 . 2]" 1
157 1 7 VAL HB 1 10 TYR QD 3.865 . 5.732 5.438 5.322 5.503 . 0 0 "[ . 1 . 2]" 1
158 1 7 VAL HB 1 11 TRP HD1 3.800 . 5.605 4.665 4.515 4.964 . 0 0 "[ . 1 . 2]" 1
159 1 7 VAL MG1 1 7 VAL MG2 1.808 . 2.217 2.076 2.069 2.084 . 0 0 "[ . 1 . 2]" 1
160 1 7 VAL MG1 1 8 ARG H 2.664 . 3.551 2.768 2.713 2.859 . 0 0 "[ . 1 . 2]" 1
161 1 7 VAL MG1 1 8 ARG HA 1.941 . 2.412 2.208 2.167 2.247 . 0 0 "[ . 1 . 2]" 1
162 1 7 VAL MG1 1 8 ARG QB 2.830 . 6.000 3.971 3.919 4.023 . 0 0 "[ . 1 . 2]" 1
163 1 7 VAL MG1 1 8 ARG HG2 2.386 . 3.098 3.176 3.130 3.203 0.105 15 0 "[ . 1 . 2]" 1
164 1 7 VAL MG1 1 8 ARG HG3 2.164 . 2.749 2.838 2.802 2.870 0.121 4 0 "[ . 1 . 2]" 1
165 1 7 VAL MG1 1 10 TYR HB2 3.172 . 6.000 5.169 5.120 5.222 . 0 0 "[ . 1 . 2]" 1
166 1 7 VAL MG1 1 10 TYR QD 2.908 . 3.965 3.105 2.956 3.176 . 0 0 "[ . 1 . 2]" 1
167 1 7 VAL MG1 1 10 TYR QE 3.174 . 4.433 4.431 4.194 4.493 0.060 15 0 "[ . 1 . 2]" 1
168 1 7 VAL MG1 1 11 TRP HB2 3.071 . 6.000 5.409 5.217 5.773 . 0 0 "[ . 1 . 2]" 1
169 1 7 VAL MG1 1 11 TRP HB3 3.048 . 6.000 4.349 4.130 4.748 . 0 0 "[ . 1 . 2]" 1
170 1 7 VAL MG1 1 11 TRP HD1 2.379 . 3.087 2.339 2.173 2.683 . 0 0 "[ . 1 . 2]" 1
171 1 7 VAL MG1 1 11 TRP HE1 2.721 . 3.647 2.159 2.073 2.293 . 0 0 "[ . 1 . 2]" 1
172 1 7 VAL MG1 1 11 TRP HZ2 3.211 . 4.500 4.515 4.420 4.575 0.075 14 0 "[ . 1 . 2]" 1
173 1 7 VAL MG2 1 8 ARG H 2.732 . 6.000 3.832 3.787 3.880 . 0 0 "[ . 1 . 2]" 1
174 1 7 VAL MG2 1 8 ARG HG3 3.284 . 4.632 4.630 4.495 4.698 0.066 20 0 "[ . 1 . 2]" 1
175 1 7 VAL MG2 1 10 TYR HB2 3.489 . 5.010 5.111 5.081 5.135 0.125 7 0 "[ . 1 . 2]" 1
176 1 7 VAL MG2 1 10 TYR HB3 3.360 . 4.771 4.285 4.237 4.348 . 0 0 "[ . 1 . 2]" 1
177 1 7 VAL MG2 1 10 TYR QD 3.370 . 4.790 4.084 3.908 4.283 . 0 0 "[ . 1 . 2]" 1
178 1 7 VAL MG2 1 11 TRP HD1 3.393 . 4.832 4.487 4.347 4.752 . 0 0 "[ . 1 . 2]" 1
179 1 7 VAL MG2 1 11 TRP HE1 3.802 . 5.609 4.972 4.884 5.085 . 0 0 "[ . 1 . 2]" 1
180 1 8 ARG H 1 8 ARG HA 2.460 . 3.217 2.817 2.794 2.839 . 0 0 "[ . 1 . 2]" 1
181 1 8 ARG H 1 8 ARG QB 2.305 . 2.969 2.372 2.265 2.431 . 0 0 "[ . 1 . 2]" 1
182 1 8 ARG H 1 8 ARG HG2 2.931 . 4.005 3.429 3.385 3.480 . 0 0 "[ . 1 . 2]" 1
183 1 8 ARG H 1 8 ARG HG3 2.673 . 3.566 2.228 2.151 2.335 . 0 0 "[ . 1 . 2]" 1
184 1 8 ARG HA 1 8 ARG QB 2.218 . 6.000 2.380 2.361 2.405 . 0 0 "[ . 1 . 2]" 1
185 1 8 ARG HA 1 8 ARG QB 2.148 . 2.725 2.296 2.281 2.310 . 0 0 "[ . 1 . 2]" 1
186 1 8 ARG HA 1 8 ARG HD2 2.802 . 6.000 4.706 4.332 4.826 . 0 0 "[ . 1 . 2]" 1
187 1 8 ARG HA 1 8 ARG HG2 2.512 . 3.301 2.472 2.368 2.537 . 0 0 "[ . 1 . 2]" 1
188 1 8 ARG HA 1 9 GLY H 2.618 . 3.475 3.520 3.492 3.538 0.063 20 0 "[ . 1 . 2]" 1
189 1 8 ARG HA 1 10 TYR QD 3.577 . 5.176 5.006 4.746 5.174 . 0 0 "[ . 1 . 2]" 1
190 1 8 ARG HA 1 11 TRP HB3 2.729 . 6.000 4.764 4.668 4.924 . 0 0 "[ . 1 . 2]" 1
191 1 8 ARG HA 1 11 TRP HD1 2.920 . 3.986 2.830 2.686 2.955 . 0 0 "[ . 1 . 2]" 1
192 1 8 ARG QB 1 8 ARG HD2 2.370 . 3.072 3.032 2.363 3.307 0.235 8 0 "[ . 1 . 2]" 1
193 1 8 ARG QB 1 8 ARG HD2 2.349 . 3.039 2.315 2.151 2.392 . 0 0 "[ . 1 . 2]" 1
194 1 8 ARG QB 1 11 TRP HD1 3.678 . 5.369 4.252 4.134 4.361 . 0 0 "[ . 1 . 2]" 1
195 1 8 ARG QB 1 9 GLY H 2.581 . 3.414 2.639 2.501 2.835 . 0 0 "[ . 1 . 2]" 1
196 1 8 ARG QB 1 9 GLY HA2 2.752 . 6.000 4.030 3.970 4.115 . 0 0 "[ . 1 . 2]" 1
197 1 8 ARG HD2 1 8 ARG HG2 2.410 . 3.136 2.594 2.376 3.016 . 0 0 "[ . 1 . 2]" 1
198 1 8 ARG HG2 1 11 TRP HD1 3.798 . 5.601 4.554 4.290 4.866 . 0 0 "[ . 1 . 2]" 1
199 1 9 GLY HA2 1 10 TYR HA 2.420 . 6.000 4.611 4.558 4.692 . 0 0 "[ . 1 . 2]" 1
200 1 9 GLY HA2 1 12 LEU H 2.947 . 4.033 4.086 4.040 4.140 0.107 7 0 "[ . 1 . 2]" 1
201 1 9 GLY HA2 1 12 LEU HB2 2.630 . 3.495 3.326 3.019 3.506 0.011 7 0 "[ . 1 . 2]" 1
202 1 9 GLY HA2 1 13 THR MG 3.200 . 4.480 4.520 4.360 4.607 0.127 5 0 "[ . 1 . 2]" 1
203 1 10 TYR H 1 10 TYR HB3 2.351 . 3.042 2.174 2.129 2.198 . 0 0 "[ . 1 . 2]" 1
204 1 10 TYR H 1 10 TYR QD 2.798 . 3.777 3.882 3.816 3.930 0.153 3 0 "[ . 1 . 2]" 1
205 1 10 TYR H 1 10 TYR QE 3.789 . 6.000 5.929 5.863 5.963 . 0 0 "[ . 1 . 2]" 1
206 1 10 TYR H 1 11 TRP H 2.644 . 3.518 2.547 2.482 2.644 . 0 0 "[ . 1 . 2]" 1
207 1 10 TYR H 1 11 TRP HA 3.383 . 6.000 5.088 5.046 5.185 . 0 0 "[ . 1 . 2]" 1
208 1 10 TYR H 1 11 TRP QB 3.736 . 5.481 4.987 4.923 5.086 . 0 0 "[ . 1 . 2]" 1
209 1 10 TYR H 1 11 TRP HB3 3.680 . 5.372 5.255 5.175 5.374 0.002 11 0 "[ . 1 . 2]" 1
210 1 10 TYR H 1 11 TRP HD1 3.733 . 5.475 3.836 3.695 3.961 . 0 0 "[ . 1 . 2]" 1
211 1 10 TYR HA 1 10 TYR HB2 2.304 . 2.967 2.303 2.292 2.312 . 0 0 "[ . 1 . 2]" 1
212 1 10 TYR HA 1 10 TYR QD 2.409 . 3.134 2.803 2.680 2.936 . 0 0 "[ . 1 . 2]" 1
213 1 10 TYR HA 1 10 TYR QE 3.179 . 6.000 4.929 4.859 4.997 . 0 0 "[ . 1 . 2]" 1
214 1 10 TYR HA 1 11 TRP H 2.810 . 3.797 3.607 3.598 3.618 . 0 0 "[ . 1 . 2]" 1
215 1 10 TYR HA 1 11 TRP HA 2.775 . 6.000 4.547 4.522 4.574 . 0 0 "[ . 1 . 2]" 1
216 1 10 TYR HA 1 11 TRP HD1 3.396 . 6.000 5.603 5.432 5.709 . 0 0 "[ . 1 . 2]" 1
217 1 10 TYR HA 1 14 ASN HD21 3.375 . 4.798 3.554 2.982 4.505 . 0 0 "[ . 1 . 2]" 1
218 1 10 TYR HA 1 14 ASN HD22 3.246 . 4.563 4.283 3.857 4.838 0.275 20 0 "[ . 1 . 2]" 1
219 1 10 TYR QB 1 10 TYR QD 2.235 . 2.859 2.114 2.108 2.124 . 0 0 "[ . 1 . 2]" 1
220 1 10 TYR HB3 1 10 TYR QD 2.250 . 2.883 2.238 2.214 2.266 . 0 0 "[ . 1 . 2]" 1
221 1 10 TYR HB3 1 11 TRP H 2.703 . 3.616 2.605 2.534 2.663 . 0 0 "[ . 1 . 2]" 1
222 1 10 TYR HB3 1 11 TRP HB2 3.680 . 6.000 5.874 5.749 5.985 . 0 0 "[ . 1 . 2]" 1
223 1 10 TYR HB3 1 11 TRP HB3 3.610 . 5.239 4.450 4.286 4.626 . 0 0 "[ . 1 . 2]" 1
224 1 10 TYR HB3 1 11 TRP HD1 3.400 . 4.845 3.433 3.321 3.527 . 0 0 "[ . 1 . 2]" 1
225 1 10 TYR QD 1 11 TRP H 2.960 . 4.055 2.825 2.628 3.068 . 0 0 "[ . 1 . 2]" 1
226 1 10 TYR QD 1 11 TRP HA 2.939 . 4.019 3.874 3.774 3.946 . 0 0 "[ . 1 . 2]" 1
227 1 10 TYR QD 1 11 TRP HB2 3.547 . 5.119 4.594 4.427 4.744 . 0 0 "[ . 1 . 2]" 1
228 1 10 TYR QD 1 11 TRP HB3 3.478 . 4.990 2.957 2.766 3.153 . 0 0 "[ . 1 . 2]" 1
229 1 10 TYR QD 1 11 TRP HD1 2.999 . 4.123 2.647 2.367 2.912 . 0 0 "[ . 1 . 2]" 1
230 1 10 TYR QD 1 11 TRP HE1 3.647 . 5.309 5.096 4.780 5.350 0.041 3 0 "[ . 1 . 2]" 1
231 1 10 TYR QD 1 13 THR MG 3.701 . 5.413 4.987 4.052 5.589 0.176 3 0 "[ . 1 . 2]" 1
232 1 10 TYR QD 1 14 ASN HB2 3.599 . 5.218 4.523 4.282 4.631 . 0 0 "[ . 1 . 2]" 1
233 1 10 TYR QD 1 14 ASN HB3 3.788 . 5.581 5.572 5.336 5.654 0.073 10 0 "[ . 1 . 2]" 1
234 1 10 TYR QD 1 14 ASN HD21 3.411 . 4.865 3.247 2.820 4.457 . 0 0 "[ . 1 . 2]" 1
235 1 10 TYR QD 1 14 ASN HD22 3.278 . 4.621 3.154 2.566 3.756 . 0 0 "[ . 1 . 2]" 1
236 1 10 TYR QE 1 11 TRP HA 3.525 . 5.078 4.199 4.028 4.287 . 0 0 "[ . 1 . 2]" 1
237 1 10 TYR QE 1 11 TRP HD1 3.537 . 5.101 4.267 3.944 4.541 . 0 0 "[ . 1 . 2]" 1
238 1 10 TYR QE 1 14 ASN HB2 3.607 . 5.233 4.621 4.304 4.853 . 0 0 "[ . 1 . 2]" 1
239 1 10 TYR QE 1 14 ASN HB3 3.655 . 5.325 5.084 4.778 5.323 . 0 0 "[ . 1 . 2]" 1
240 1 10 TYR QE 1 14 ASN HD21 3.331 . 4.718 3.986 2.788 4.964 0.246 9 0 "[ . 1 . 2]" 1
241 1 10 TYR QE 1 14 ASN HD22 3.444 . 4.927 3.521 2.621 4.719 . 0 0 "[ . 1 . 2]" 1
242 1 11 TRP H 1 11 TRP HA 2.531 . 3.332 2.876 2.865 2.882 . 0 0 "[ . 1 . 2]" 1
243 1 11 TRP H 1 11 TRP HB2 2.499 . 6.000 3.673 3.663 3.689 . 0 0 "[ . 1 . 2]" 1
244 1 11 TRP H 1 11 TRP HB3 2.468 . 3.229 2.789 2.739 2.840 . 0 0 "[ . 1 . 2]" 1
245 1 11 TRP H 1 11 TRP HD1 2.810 . 3.797 2.278 2.143 2.390 . 0 0 "[ . 1 . 2]" 1
246 1 11 TRP H 1 11 TRP HE3 3.127 . 6.000 5.183 5.124 5.253 . 0 0 "[ . 1 . 2]" 1
247 1 11 TRP H 1 11 TRP HE3 2.963 . 4.060 4.111 3.957 4.188 0.128 17 0 "[ . 1 . 2]" 1
248 1 11 TRP HA 1 11 TRP HB2 2.378 . 3.085 2.446 2.424 2.480 . 0 0 "[ . 1 . 2]" 1
249 1 11 TRP HA 1 11 TRP HB3 2.375 . 3.080 2.404 2.383 2.424 . 0 0 "[ . 1 . 2]" 1
250 1 11 TRP HA 1 11 TRP HD1 2.601 . 6.000 4.338 4.255 4.387 . 0 0 "[ . 1 . 2]" 1
251 1 11 TRP HA 1 11 TRP HE3 2.565 . 6.000 4.428 4.345 4.548 . 0 0 "[ . 1 . 2]" 1
252 1 11 TRP HA 1 12 LEU HA 2.802 . 6.000 4.109 4.066 4.182 . 0 0 "[ . 1 . 2]" 1
253 1 11 TRP HA 1 14 ASN H 3.443 . 4.925 3.096 2.835 3.265 . 0 0 "[ . 1 . 2]" 1
254 1 11 TRP HA 1 14 ASN HB2 3.172 . 4.429 2.179 1.907 2.585 0.008 11 0 "[ . 1 . 2]" 1
255 1 11 TRP HA 1 15 LYS QG 3.405 . 4.854 3.902 2.881 4.598 . 0 0 "[ . 1 . 2]" 1
256 1 11 TRP HB2 1 11 TRP HD1 2.637 . 6.000 3.842 3.816 3.858 . 0 0 "[ . 1 . 2]" 1
257 1 11 TRP HB2 1 11 TRP HE3 2.615 . 3.470 2.468 2.436 2.509 . 0 0 "[ . 1 . 2]" 1
258 1 11 TRP HB2 1 11 TRP HZ3 3.790 . 5.585 4.865 4.838 4.897 . 0 0 "[ . 1 . 2]" 1
259 1 11 TRP HB2 1 12 LEU HA 2.689 . 6.000 4.552 4.448 4.618 . 0 0 "[ . 1 . 2]" 1
260 1 11 TRP HB2 1 12 LEU HG 3.447 . 4.932 4.981 4.938 5.033 0.101 16 0 "[ . 1 . 2]" 1
261 1 11 TRP HB3 1 11 TRP HD1 2.583 . 3.417 2.742 2.699 2.778 . 0 0 "[ . 1 . 2]" 1
262 1 11 TRP HB3 1 11 TRP HE3 2.798 . 6.000 4.029 4.000 4.069 . 0 0 "[ . 1 . 2]" 1
263 1 11 TRP HB3 1 12 LEU HA 2.725 . 6.000 5.712 5.647 5.747 . 0 0 "[ . 1 . 2]" 1
264 1 11 TRP HB3 1 12 LEU HG 3.516 . 6.000 5.511 5.428 5.595 . 0 0 "[ . 1 . 2]" 1
265 1 11 TRP HD1 1 12 LEU HG 3.342 . 4.738 4.614 4.397 4.771 0.033 3 0 "[ . 1 . 2]" 1
266 1 11 TRP HE3 1 12 LEU H 3.163 . 4.413 4.313 4.108 4.421 0.008 10 0 "[ . 1 . 2]" 1
267 1 11 TRP HE3 1 12 LEU HA 2.714 . 3.635 3.554 3.397 3.661 0.026 17 0 "[ . 1 . 2]" 1
268 1 11 TRP HE3 1 12 LEU MD2 2.699 . 3.610 3.071 2.979 3.234 . 0 0 "[ . 1 . 2]" 1
269 1 11 TRP HE3 1 12 LEU HG 3.030 . 4.178 4.156 4.064 4.219 0.041 15 0 "[ . 1 . 2]" 1
270 1 11 TRP HE3 1 15 LYS HB3 3.471 . 4.977 4.300 2.878 5.562 0.585 4 1 "[ +. 1 . 2]" 1
271 1 11 TRP HH2 1 11 TRP HZ3 2.067 . 2.601 2.442 2.438 2.444 . 0 0 "[ . 1 . 2]" 1
272 1 11 TRP HH2 1 12 LEU MD2 3.227 . 4.528 2.815 2.746 2.945 . 0 0 "[ . 1 . 2]" 1
273 1 11 TRP HZ3 1 12 LEU HA 3.546 . 5.118 4.472 4.313 4.609 . 0 0 "[ . 1 . 2]" 1
274 1 11 TRP HZ3 1 12 LEU MD2 2.849 . 3.863 2.734 2.617 2.858 . 0 0 "[ . 1 . 2]" 1
275 1 12 LEU H 1 12 LEU HA 2.431 . 3.169 2.857 2.815 2.888 . 0 0 "[ . 1 . 2]" 1
276 1 12 LEU H 1 12 LEU HB2 2.437 . 3.179 2.433 2.396 2.465 . 0 0 "[ . 1 . 2]" 1
277 1 12 LEU H 1 12 LEU HB3 2.609 . 6.000 3.601 3.587 3.622 . 0 0 "[ . 1 . 2]" 1
278 1 12 LEU H 1 12 LEU MD2 2.584 . 3.418 3.512 3.445 3.576 0.158 4 0 "[ . 1 . 2]" 1
279 1 12 LEU H 1 12 LEU HG 2.540 . 3.347 2.439 2.302 2.572 . 0 0 "[ . 1 . 2]" 1
280 1 12 LEU H 1 13 THR H 2.661 . 3.546 2.384 2.195 2.637 . 0 0 "[ . 1 . 2]" 1
281 1 12 LEU H 1 13 THR MG 3.487 . 5.007 5.068 4.430 5.377 0.370 9 0 "[ . 1 . 2]" 1
282 1 12 LEU H 1 14 ASN H 3.642 . 5.300 3.752 3.522 3.926 . 0 0 "[ . 1 . 2]" 1
283 1 12 LEU HA 1 12 LEU HB3 2.351 . 3.042 2.504 2.492 2.531 . 0 0 "[ . 1 . 2]" 1
284 1 12 LEU HA 1 13 THR H 2.771 . 3.731 3.419 3.330 3.492 . 0 0 "[ . 1 . 2]" 1
285 1 12 LEU HA 1 14 ASN H 3.572 . 5.167 3.795 3.592 3.993 . 0 0 "[ . 1 . 2]" 1
286 1 12 LEU HA 1 16 VAL H 3.331 . 4.718 4.328 3.918 4.778 0.060 4 0 "[ . 1 . 2]" 1
287 1 12 LEU HB2 1 13 THR H 2.806 . 3.790 2.846 2.553 3.014 . 0 0 "[ . 1 . 2]" 1
288 1 12 LEU HB2 1 14 ASN H 3.845 . 5.693 4.844 4.645 5.013 . 0 0 "[ . 1 . 2]" 1
289 1 12 LEU HB3 1 12 LEU HG 2.384 . 3.094 3.017 3.013 3.021 . 0 0 "[ . 1 . 2]" 1
290 1 12 LEU HB3 1 13 THR H 2.872 . 3.903 3.787 3.599 3.912 0.009 2 0 "[ . 1 . 2]" 1
291 1 12 LEU HB3 1 14 ASN H 3.892 . 5.786 5.236 5.034 5.445 . 0 0 "[ . 1 . 2]" 1
292 1 12 LEU MD2 1 12 LEU HG 2.081 . 2.622 2.123 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
293 1 12 LEU MD2 1 13 THR H 3.015 . 6.000 4.657 4.577 4.746 . 0 0 "[ . 1 . 2]" 1
294 1 12 LEU HG 1 13 THR H 3.166 . 4.419 4.389 4.188 4.501 0.082 1 0 "[ . 1 . 2]" 1
295 1 13 THR H 1 13 THR HA 2.542 . 3.350 2.874 2.805 2.914 . 0 0 "[ . 1 . 2]" 1
296 1 13 THR H 1 13 THR HB 2.508 . 3.294 2.346 2.071 2.942 . 0 0 "[ . 1 . 2]" 1
297 1 13 THR H 1 13 THR MG 2.507 . 3.293 3.247 2.508 3.638 0.345 4 0 "[ . 1 . 2]" 1
298 1 13 THR H 1 14 ASN H 2.565 . 3.387 2.369 2.294 2.545 . 0 0 "[ . 1 . 2]" 1
299 1 13 THR H 1 14 ASN HB2 3.763 . 5.533 4.128 3.834 4.424 . 0 0 "[ . 1 . 2]" 1
300 1 13 THR H 1 15 LYS H 3.528 . 5.084 4.282 4.042 4.448 . 0 0 "[ . 1 . 2]" 1
301 1 13 THR HA 1 13 THR MG 2.042 . 6.000 2.680 2.141 3.154 . 0 0 "[ . 1 . 2]" 1
302 1 13 THR HA 1 14 ASN H 2.650 . 3.528 3.367 3.263 3.457 . 0 0 "[ . 1 . 2]" 1
303 1 13 THR HA 1 14 ASN HB2 3.509 . 6.000 5.484 5.308 5.649 . 0 0 "[ . 1 . 2]" 1
304 1 13 THR HA 1 16 VAL H 3.571 . 5.165 4.367 3.895 4.825 . 0 0 "[ . 1 . 2]" 1
305 1 13 THR HA 1 16 VAL QG 2.860 . 3.882 2.380 2.157 2.858 . 0 0 "[ . 1 . 2]" 1
306 1 13 THR HB 1 13 THR MG 2.057 . 2.586 2.116 2.100 2.134 . 0 0 "[ . 1 . 2]" 1
307 1 13 THR HB 1 14 ASN H 2.891 . 3.935 3.523 3.086 4.031 0.096 15 0 "[ . 1 . 2]" 1
308 1 13 THR HB 1 14 ASN HB2 3.672 . 5.357 4.884 4.244 5.499 0.142 13 0 "[ . 1 . 2]" 1
309 1 13 THR MG 1 14 ASN H 3.014 . 4.150 3.525 2.798 4.282 0.132 16 0 "[ . 1 . 2]" 1
310 1 13 THR MG 1 14 ASN HD21 3.695 . 5.401 3.372 2.200 5.461 0.060 12 0 "[ . 1 . 2]" 1
311 1 13 THR MG 1 14 ASN HD22 3.765 . 5.537 3.977 2.894 5.269 . 0 0 "[ . 1 . 2]" 1
312 1 13 THR MG 1 16 VAL QG 2.790 . 3.763 3.540 3.080 3.877 0.114 19 0 "[ . 1 . 2]" 1
313 1 14 ASN H 1 14 ASN HB2 2.696 . 3.605 2.268 2.194 2.353 . 0 0 "[ . 1 . 2]" 1
314 1 14 ASN H 1 14 ASN HB3 2.784 . 3.753 3.426 3.067 3.585 . 0 0 "[ . 1 . 2]" 1
315 1 14 ASN H 1 14 ASN HD21 3.567 . 5.157 3.303 2.814 4.198 . 0 0 "[ . 1 . 2]" 1
316 1 14 ASN H 1 14 ASN HD22 3.385 . 4.817 4.764 4.295 5.236 0.419 20 0 "[ . 1 . 2]" 1
317 1 14 ASN H 1 15 LYS H 2.953 . 4.043 2.298 2.176 2.420 . 0 0 "[ . 1 . 2]" 1
318 1 14 ASN H 1 15 LYS HB3 3.875 . 5.752 5.341 4.596 5.953 0.201 20 0 "[ . 1 . 2]" 1
319 1 14 ASN H 1 16 VAL H 3.560 . 5.144 3.664 3.453 3.934 . 0 0 "[ . 1 . 2]" 1
320 1 14 ASN H 1 16 VAL QG 3.722 . 5.454 3.229 3.057 3.472 . 0 0 "[ . 1 . 2]" 1
321 1 14 ASN HB2 1 14 ASN HD21 2.891 . 3.936 2.335 2.194 2.919 . 0 0 "[ . 1 . 2]" 1
322 1 14 ASN HB2 1 14 ASN HD22 2.757 . 3.707 3.525 3.459 3.780 0.073 9 0 "[ . 1 . 2]" 1
323 1 14 ASN HB2 1 15 LYS H 3.283 . 4.630 2.879 2.576 3.091 . 0 0 "[ . 1 . 2]" 1
324 1 14 ASN HB2 1 15 LYS HA 3.619 . 5.256 4.789 4.492 5.145 . 0 0 "[ . 1 . 2]" 1
325 1 14 ASN HB2 1 15 LYS QG 3.743 . 5.495 4.123 3.329 4.773 . 0 0 "[ . 1 . 2]" 1
326 1 14 ASN HB2 1 16 VAL QG 3.342 . 4.738 4.736 4.659 4.815 0.077 3 0 "[ . 1 . 2]" 1
327 1 14 ASN HB3 1 14 ASN HD21 3.052 . 4.216 3.416 2.900 3.505 . 0 0 "[ . 1 . 2]" 1
328 1 14 ASN HB3 1 14 ASN HD22 2.878 . 3.913 4.026 3.771 4.071 0.158 11 0 "[ . 1 . 2]" 1
329 1 14 ASN HB3 1 15 LYS H 3.224 . 4.524 3.055 2.427 3.562 . 0 0 "[ . 1 . 2]" 1
330 1 14 ASN HB3 1 15 LYS QG 3.918 . 5.837 4.340 3.055 5.448 . 0 0 "[ . 1 . 2]" 1
331 1 14 ASN HB3 1 16 VAL QG 3.362 . 4.775 4.875 4.782 4.954 0.179 14 0 "[ . 1 . 2]" 1
332 1 15 LYS H 1 15 LYS HA 2.486 . 3.259 2.813 2.789 2.837 . 0 0 "[ . 1 . 2]" 1
333 1 15 LYS H 1 15 LYS HB2 2.542 . 6.000 3.094 2.579 3.622 . 0 0 "[ . 1 . 2]" 1
334 1 15 LYS H 1 15 LYS HB2 2.631 . 3.496 2.895 2.533 3.273 . 0 0 "[ . 1 . 2]" 1
335 1 15 LYS H 1 15 LYS HB3 2.525 . 3.322 3.139 2.522 3.609 0.287 14 0 "[ . 1 . 2]" 1
336 1 15 LYS H 1 15 LYS HB3 2.728 . 3.658 2.366 2.205 2.511 . 0 0 "[ . 1 . 2]" 1
337 1 15 LYS H 1 15 LYS QD 3.432 . 4.905 3.382 2.884 3.924 . 0 0 "[ . 1 . 2]" 1
338 1 15 LYS H 1 16 VAL H 2.564 . 3.386 2.594 2.511 2.704 . 0 0 "[ . 1 . 2]" 1
339 1 15 LYS H 1 16 VAL QG 3.171 . 4.428 3.334 3.158 3.544 . 0 0 "[ . 1 . 2]" 1
340 1 15 LYS HA 1 15 LYS HB2 2.346 . 3.034 2.757 2.396 3.026 . 0 0 "[ . 1 . 2]" 1
341 1 15 LYS HA 1 15 LYS HB3 2.483 . 3.254 2.418 2.379 2.460 . 0 0 "[ . 1 . 2]" 1
342 1 15 LYS HA 1 15 LYS QD 2.680 . 3.578 2.912 2.025 3.756 0.178 2 0 "[ . 1 . 2]" 1
343 1 15 LYS HA 1 16 VAL H 2.364 . 6.000 3.427 3.381 3.481 . 0 0 "[ . 1 . 2]" 1
344 1 15 LYS HA 1 16 VAL QG 2.964 . 6.000 4.420 4.296 4.502 . 0 0 "[ . 1 . 2]" 1
345 1 15 LYS HA 1 17 PRO HD2 3.216 . 6.000 6.044 5.892 6.106 0.106 9 0 "[ . 1 . 2]" 1
346 1 15 LYS HA 1 17 PRO HD3 3.048 . 6.000 4.876 4.760 4.996 . 0 0 "[ . 1 . 2]" 1
347 1 15 LYS HB2 1 15 LYS QD 2.732 . 3.665 2.847 2.210 3.402 . 0 0 "[ . 1 . 2]" 1
348 1 15 LYS HB2 1 16 VAL H 2.872 . 3.903 3.223 2.457 4.041 0.138 17 0 "[ . 1 . 2]" 1
349 1 15 LYS HB3 1 16 VAL H 2.951 . 4.040 3.918 3.565 4.123 0.083 8 0 "[ . 1 . 2]" 1
350 1 15 LYS HD2 1 15 LYS HE2 2.966 . 4.066 2.730 2.452 3.017 . 0 0 "[ . 1 . 2]" 1
351 1 15 LYS HD2 1 16 VAL H 3.836 . 5.675 4.337 2.325 5.681 0.006 20 0 "[ . 1 . 2]" 1
352 1 15 LYS HD3 1 15 LYS HE3 2.946 . 4.031 2.731 2.454 3.018 . 0 0 "[ . 1 . 2]" 1
353 1 15 LYS HD3 1 16 VAL H 3.739 . 5.486 4.468 2.607 5.728 0.242 2 0 "[ . 1 . 2]" 1
354 1 15 LYS HE2 1 15 LYS QG 2.996 . 4.118 2.739 2.293 3.473 . 0 0 "[ . 1 . 2]" 1
355 1 15 LYS HE3 1 15 LYS QG 2.958 . 4.052 2.602 2.315 3.389 . 0 0 "[ . 1 . 2]" 1
356 1 15 LYS QG 1 16 VAL H 3.194 . 4.469 3.228 2.452 3.900 . 0 0 "[ . 1 . 2]" 1
357 1 15 LYS QG 1 16 VAL QG 3.214 . 4.505 4.052 3.324 4.397 . 0 0 "[ . 1 . 2]" 1
358 1 16 VAL H 1 16 VAL HA 2.595 . 3.437 2.783 2.708 2.895 . 0 0 "[ . 1 . 2]" 1
359 1 16 VAL H 1 16 VAL HB 2.411 . 3.138 2.668 2.610 2.916 . 0 0 "[ . 1 . 2]" 1
360 1 16 VAL H 1 16 VAL QG 2.258 . 2.896 1.737 1.616 1.933 0.004 4 0 "[ . 1 . 2]" 1
361 1 16 VAL H 1 17 PRO HD2 3.280 . 4.625 4.636 4.514 4.685 0.060 12 0 "[ . 1 . 2]" 1
362 1 16 VAL H 1 17 PRO HD3 3.189 . 4.460 4.543 4.498 4.601 0.141 18 0 "[ . 1 . 2]" 1
363 1 16 VAL HA 1 16 VAL HB 2.512 . 3.300 2.376 2.345 2.405 . 0 0 "[ . 1 . 2]" 1
364 1 16 VAL HA 1 16 VAL QG 2.098 . 2.648 2.400 2.356 2.439 . 0 0 "[ . 1 . 2]" 1
365 1 16 VAL HA 1 17 PRO HD2 2.178 . 2.771 1.918 1.863 1.961 . 0 0 "[ . 1 . 2]" 1
366 1 16 VAL HA 1 17 PRO HD3 2.143 . 2.717 2.484 2.439 2.550 . 0 0 "[ . 1 . 2]" 1
367 1 16 VAL HA 1 17 PRO HG2 2.654 . 6.000 4.126 4.062 4.166 . 0 0 "[ . 1 . 2]" 1
368 1 16 VAL HB 1 16 VAL QG 2.014 . 2.521 1.899 1.896 1.903 . 0 0 "[ . 1 . 2]" 1
369 1 16 VAL HB 1 17 PRO HD2 2.650 . 6.000 3.938 3.872 4.037 . 0 0 "[ . 1 . 2]" 1
370 1 16 VAL QG 1 17 PRO HA 3.204 . 4.487 3.833 3.799 3.866 . 0 0 "[ . 1 . 2]" 1
371 1 16 VAL QG 1 17 PRO HD2 2.467 . 3.228 2.722 2.591 2.855 . 0 0 "[ . 1 . 2]" 1
372 1 16 VAL QG 1 17 PRO HG2 2.909 . 3.966 3.775 3.621 3.929 . 0 0 "[ . 1 . 2]" 1
373 1 16 VAL QG 1 18 ILE H 2.966 . 4.065 3.829 3.758 3.900 . 0 0 "[ . 1 . 2]" 1
374 1 17 PRO HA 1 17 PRO HB2 2.335 . 3.016 2.737 2.715 2.781 . 0 0 "[ . 1 . 2]" 1
375 1 17 PRO HA 1 17 PRO HB3 2.283 . 2.935 2.291 2.270 2.303 . 0 0 "[ . 1 . 2]" 1
376 1 17 PRO HA 1 18 ILE H 2.250 . 2.883 2.130 2.105 2.142 . 0 0 "[ . 1 . 2]" 1
377 1 17 PRO HA 1 18 ILE HA 3.253 . 4.576 4.386 4.358 4.404 . 0 0 "[ . 1 . 2]" 1
378 1 17 PRO HA 1 18 ILE HB 3.190 . 6.000 5.724 5.648 5.772 . 0 0 "[ . 1 . 2]" 1
379 1 17 PRO HA 1 18 ILE QG 3.208 . 4.494 3.656 3.430 3.768 . 0 0 "[ . 1 . 2]" 1
380 1 17 PRO HB2 1 18 ILE H 2.814 . 3.804 3.755 3.714 3.810 0.006 9 0 "[ . 1 . 2]" 1
381 1 17 PRO HB2 1 18 ILE MG 3.042 . 6.000 5.187 4.714 5.447 . 0 0 "[ . 1 . 2]" 1
382 1 17 PRO HB3 1 17 PRO HD2 2.981 . 4.092 3.898 3.870 3.958 . 0 0 "[ . 1 . 2]" 1
383 1 17 PRO HB3 1 18 ILE H 3.121 . 4.338 4.106 3.982 4.150 . 0 0 "[ . 1 . 2]" 1
384 1 17 PRO HD2 1 17 PRO HG2 2.178 . 2.771 2.299 2.279 2.307 . 0 0 "[ . 1 . 2]" 1
385 1 17 PRO HD2 1 18 ILE H 3.500 . 6.000 5.480 5.429 5.532 . 0 0 "[ . 1 . 2]" 1
386 1 17 PRO HD3 1 18 ILE H 3.686 . 5.384 5.451 5.420 5.479 0.095 20 0 "[ . 1 . 2]" 1
387 1 18 ILE H 1 18 ILE HA 2.657 . 3.539 2.918 2.883 2.944 . 0 0 "[ . 1 . 2]" 1
388 1 18 ILE H 1 18 ILE HB 2.491 . 6.000 3.709 3.636 3.829 . 0 0 "[ . 1 . 2]" 1
389 1 18 ILE H 1 18 ILE MD 3.692 . 5.395 3.719 3.585 3.971 . 0 0 "[ . 1 . 2]" 1
390 1 18 ILE H 1 18 ILE QG 2.852 . 3.748 1.998 1.841 2.274 . 0 0 "[ . 1 . 2]" 1
391 1 18 ILE H 1 18 ILE MG 2.824 . 3.821 2.797 2.495 3.398 . 0 0 "[ . 1 . 2]" 1
392 1 18 ILE H 1 19 LYS H 2.853 . 3.871 2.858 2.390 3.386 . 0 0 "[ . 1 . 2]" 1
393 1 18 ILE H 1 19 LYS HB2 3.899 . 5.799 4.778 4.223 5.154 . 0 0 "[ . 1 . 2]" 1
394 1 18 ILE HA 1 18 ILE QG 2.875 . 3.771 3.308 3.268 3.321 . 0 0 "[ . 1 . 2]" 1
395 1 18 ILE HA 1 19 LYS H 2.111 . 2.668 2.765 2.562 2.877 0.209 16 0 "[ . 1 . 2]" 1
396 1 18 ILE HB 1 18 ILE QG 2.611 . 3.463 2.366 2.347 2.382 . 0 0 "[ . 1 . 2]" 1
397 1 18 ILE HB 1 18 ILE MG 2.170 . 2.759 2.127 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
398 1 18 ILE HB 1 19 LYS H 2.474 . 6.000 3.492 3.437 3.557 . 0 0 "[ . 1 . 2]" 1
399 1 18 ILE QG 1 19 LYS H 3.532 . 5.091 3.806 3.573 4.104 . 0 0 "[ . 1 . 2]" 1
400 1 18 ILE QG 1 19 LYS HG2 3.276 . 4.618 4.038 3.270 4.448 . 0 0 "[ . 1 . 2]" 1
401 1 18 ILE MG 1 19 LYS H 2.832 . 6.000 4.328 4.258 4.373 . 0 0 "[ . 1 . 2]" 1
402 1 19 LYS H 1 19 LYS HA 2.708 . 3.625 2.927 2.882 2.949 . 0 0 "[ . 1 . 2]" 1
403 1 19 LYS H 1 19 LYS HB2 2.540 . 3.347 2.503 2.388 2.730 . 0 0 "[ . 1 . 2]" 1
404 1 19 LYS H 1 19 LYS HG2 3.022 . 4.164 3.436 2.475 3.935 . 0 0 "[ . 1 . 2]" 1
405 1 19 LYS H 1 20 ARG H 3.287 . 4.637 2.150 1.915 2.661 0.022 14 0 "[ . 1 . 2]" 1
406 1 19 LYS HA 1 19 LYS HB2 2.348 . 3.037 3.022 3.016 3.028 . 0 0 "[ . 1 . 2]" 1
407 1 19 LYS HA 1 19 LYS HG2 2.745 . 3.687 2.712 2.475 3.233 . 0 0 "[ . 1 . 2]" 1
408 1 19 LYS HA 1 20 ARG H 2.146 . 6.000 3.398 3.202 3.559 . 0 0 "[ . 1 . 2]" 1
409 1 19 LYS HB2 1 19 LYS HG2 2.607 . 3.457 2.845 2.428 3.013 . 0 0 "[ . 1 . 2]" 1
410 1 19 LYS HB2 1 20 ARG H 2.679 . 3.576 2.995 1.974 3.518 . 0 0 "[ . 1 . 2]" 1
411 1 19 LYS HB3 1 20 ARG H 2.976 . 4.083 3.917 2.938 4.208 0.125 13 0 "[ . 1 . 2]" 1
412 1 19 LYS HD3 1 19 LYS HG2 2.459 . 3.215 2.665 2.364 3.017 . 0 0 "[ . 1 . 2]" 1
413 1 19 LYS HE2 1 19 LYS HG2 3.176 . 4.437 3.264 2.339 3.722 . 0 0 "[ . 1 . 2]" 1
414 1 19 LYS HG2 1 20 ARG H 3.351 . 4.755 4.845 3.759 5.177 0.422 4 0 "[ . 1 . 2]" 1
415 1 20 ARG H 1 20 ARG HB2 2.851 . 3.867 3.061 2.412 3.698 . 0 0 "[ . 1 . 2]" 1
416 1 20 ARG H 1 20 ARG HB3 2.640 . 3.511 3.185 2.591 3.671 0.160 16 0 "[ . 1 . 2]" 1
417 1 20 ARG H 1 20 ARG HD2 3.715 . 5.440 4.052 2.133 4.862 . 0 0 "[ . 1 . 2]" 1
418 1 20 ARG H 1 20 ARG HG2 3.064 . 4.237 2.659 1.878 4.195 0.013 4 0 "[ . 1 . 2]" 1
419 1 20 ARG H 1 21 PRO QD 3.864 . 5.730 4.345 4.080 4.435 . 0 0 "[ . 1 . 2]" 1
420 1 20 ARG HA 1 21 PRO QD 3.692 . 5.396 2.000 1.874 2.226 0.126 12 0 "[ . 1 . 2]" 1
421 1 20 ARG HB2 1 20 ARG HG2 2.215 . 2.828 2.825 2.404 3.012 0.184 12 0 "[ . 1 . 2]" 1
422 1 20 ARG HB2 1 21 PRO QD 2.855 . 3.874 3.130 2.133 4.313 0.439 15 0 "[ . 1 . 2]" 1
423 1 20 ARG HB2 1 22 SER H 3.525 . 5.079 3.350 2.809 4.500 . 0 0 "[ . 1 . 2]" 1
424 1 20 ARG HB3 1 20 ARG HD2 2.439 . 3.182 3.329 2.451 3.778 0.596 18 7 "[ * .** 1- * +*2]" 1
425 1 20 ARG HD2 1 20 ARG HG2 2.198 . 2.802 2.725 2.421 3.016 0.214 14 0 "[ . 1 . 2]" 1
426 1 20 ARG HG2 1 22 SER H 3.575 . 5.172 4.752 3.693 5.637 0.465 14 0 "[ . 1 . 2]" 1
427 1 21 PRO HA 1 21 PRO HB2 2.567 . 3.390 2.747 2.662 2.923 . 0 0 "[ . 1 . 2]" 1
428 1 21 PRO HA 1 21 PRO HB3 2.422 . 3.155 2.297 2.257 2.326 . 0 0 "[ . 1 . 2]" 1
429 1 21 PRO HA 1 22 SER H 2.252 . 2.886 2.788 2.423 2.988 0.102 2 0 "[ . 1 . 2]" 1
430 1 21 PRO HB2 1 21 PRO QD 2.547 . 3.358 3.382 2.901 3.557 0.199 18 0 "[ . 1 . 2]" 1
431 1 21 PRO HB2 1 22 SER H 3.131 . 6.000 4.290 4.091 4.365 . 0 0 "[ . 1 . 2]" 1
432 1 21 PRO HB3 1 21 PRO QD 3.256 . 4.581 3.158 2.900 3.518 . 0 0 "[ . 1 . 2]" 1
433 1 21 PRO HB3 1 22 SER H 3.352 . 4.756 4.631 4.553 4.660 . 0 0 "[ . 1 . 2]" 1
434 1 21 PRO QD 1 21 PRO HG3 2.449 . 3.199 2.194 2.177 2.244 . 0 0 "[ . 1 . 2]" 1
435 1 21 PRO QD 1 22 SER H 3.355 . 4.762 3.639 3.122 4.386 . 0 0 "[ . 1 . 2]" 1
436 1 22 SER H 1 22 SER HB2 2.983 . 4.095 3.203 2.520 3.942 . 0 0 "[ . 1 . 2]" 1
437 1 22 SER HA 1 22 SER HB2 2.398 . 3.117 2.766 2.516 3.034 . 0 0 "[ . 1 . 2]" 1
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