NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
569968 |
2m1h   |
18474 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1h
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 654
_Distance_constraint_stats_list.Viol_count 2050
_Distance_constraint_stats_list.Viol_total 1449.944
_Distance_constraint_stats_list.Viol_max 0.351
_Distance_constraint_stats_list.Viol_rms 0.0204
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0055
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ARG 0.866 0.351 16 0 "[ . 1 . 2]"
1 6 VAL 0.974 0.351 16 0 "[ . 1 . 2]"
1 7 PHE 0.123 0.041 16 0 "[ . 1 . 2]"
1 8 HIS 0.397 0.049 16 0 "[ . 1 . 2]"
1 9 ILE 1.075 0.072 18 0 "[ . 1 . 2]"
1 10 ASN 2.462 0.096 8 0 "[ . 1 . 2]"
1 11 ASP 1.415 0.174 7 0 "[ . 1 . 2]"
1 12 ARG 1.161 0.064 18 0 "[ . 1 . 2]"
1 13 VAL 0.616 0.095 11 0 "[ . 1 . 2]"
1 14 TRP 0.720 0.132 11 0 "[ . 1 . 2]"
1 15 LEU 0.861 0.116 17 0 "[ . 1 . 2]"
1 16 LYS 1.576 0.113 4 0 "[ . 1 . 2]"
1 17 THR 0.145 0.076 4 0 "[ . 1 . 2]"
1 18 GLY 1.510 0.101 10 0 "[ . 1 . 2]"
1 19 ALA 0.839 0.087 11 0 "[ . 1 . 2]"
1 20 ASN 2.084 0.123 5 0 "[ . 1 . 2]"
1 21 THR 1.008 0.094 8 0 "[ . 1 . 2]"
1 22 TRP 2.428 0.123 5 0 "[ . 1 . 2]"
1 23 TRP 1.470 0.101 10 0 "[ . 1 . 2]"
1 24 PRO 1.220 0.132 11 0 "[ . 1 . 2]"
1 25 ALA 0.704 0.089 19 0 "[ . 1 . 2]"
1 26 LYS 2.947 0.116 11 0 "[ . 1 . 2]"
1 27 VAL 2.099 0.096 8 0 "[ . 1 . 2]"
1 28 THR 0.840 0.065 17 0 "[ . 1 . 2]"
1 29 SER 0.386 0.042 14 0 "[ . 1 . 2]"
1 30 VAL 3.526 0.162 7 0 "[ . 1 . 2]"
1 31 THR 4.560 0.183 3 0 "[ . 1 . 2]"
1 32 GLY 0.584 0.088 12 0 "[ . 1 . 2]"
1 33 VAL 0.262 0.074 12 0 "[ . 1 . 2]"
1 34 GLU 0.934 0.211 10 0 "[ . 1 . 2]"
1 35 GLY 0.807 0.211 10 0 "[ . 1 . 2]"
1 36 VAL 0.562 0.102 7 0 "[ . 1 . 2]"
1 37 ASP 0.239 0.057 12 0 "[ . 1 . 2]"
1 38 GLY 0.322 0.102 7 0 "[ . 1 . 2]"
1 39 ARG 0.014 0.014 13 0 "[ . 1 . 2]"
1 40 SER 0.003 0.003 10 0 "[ . 1 . 2]"
1 41 SER 0.325 0.039 12 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 THR 0.038 0.009 5 0 "[ . 1 . 2]"
1 44 GLY 0.192 0.023 7 0 "[ . 1 . 2]"
1 45 THR 0.341 0.055 13 0 "[ . 1 . 2]"
1 46 SER 1.451 0.088 12 0 "[ . 1 . 2]"
1 47 THR 3.760 0.127 18 0 "[ . 1 . 2]"
1 48 VAL 2.696 0.183 3 0 "[ . 1 . 2]"
1 49 THR 4.095 0.114 3 0 "[ . 1 . 2]"
1 50 VAL 3.334 0.162 7 0 "[ . 1 . 2]"
1 51 LEU 2.959 0.116 11 0 "[ . 1 . 2]"
1 52 THR 3.025 0.114 8 0 "[ . 1 . 2]"
1 53 TYR 2.238 0.168 9 0 "[ . 1 . 2]"
1 54 PRO 1.114 0.052 11 0 "[ . 1 . 2]"
1 55 GLY 0.482 0.039 20 0 "[ . 1 . 2]"
1 56 THR 0.824 0.089 8 0 "[ . 1 . 2]"
1 57 GLN 0.284 0.038 16 0 "[ . 1 . 2]"
1 58 ASN 0.875 0.089 8 0 "[ . 1 . 2]"
1 59 LYS 0.507 0.034 6 0 "[ . 1 . 2]"
1 60 ALA 1.011 0.067 19 0 "[ . 1 . 2]"
1 61 THR 0.197 0.032 8 0 "[ . 1 . 2]"
1 62 TYR 0.469 0.026 15 0 "[ . 1 . 2]"
1 63 LYS 0.336 0.026 15 0 "[ . 1 . 2]"
1 64 ASN 0.254 0.028 17 0 "[ . 1 . 2]"
1 65 VAL 0.294 0.037 13 0 "[ . 1 . 2]"
1 66 ASP 0.011 0.006 11 0 "[ . 1 . 2]"
1 67 SER 0.701 0.035 7 0 "[ . 1 . 2]"
1 68 HIS 0.074 0.021 15 0 "[ . 1 . 2]"
1 69 SER 0.679 0.052 9 0 "[ . 1 . 2]"
1 70 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 0.558 0.072 11 0 "[ . 1 . 2]"
1 72 ILE 0.701 0.095 11 0 "[ . 1 . 2]"
1 73 THR 1.191 0.089 16 0 "[ . 1 . 2]"
1 74 PHE 1.275 0.111 7 0 "[ . 1 . 2]"
1 75 PHE 2.018 0.111 7 0 "[ . 1 . 2]"
1 77 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.004 0.004 9 0 "[ . 1 . 2]"
1 79 SER 0.304 0.063 19 0 "[ . 1 . 2]"
1 80 GLU 0.499 0.060 16 0 "[ . 1 . 2]"
1 81 LYS 0.182 0.053 7 0 "[ . 1 . 2]"
1 82 ALA 0.777 0.058 16 0 "[ . 1 . 2]"
1 83 VAL 3.042 0.145 11 0 "[ . 1 . 2]"
1 84 THR 0.030 0.024 19 0 "[ . 1 . 2]"
1 85 ALA 2.208 0.145 11 0 "[ . 1 . 2]"
1 86 ASN 3.430 0.101 8 0 "[ . 1 . 2]"
1 87 GLU 0.242 0.052 8 0 "[ . 1 . 2]"
1 88 ASP 2.176 0.088 5 0 "[ . 1 . 2]"
1 89 LEU 3.032 0.133 19 0 "[ . 1 . 2]"
1 90 LEU 5.635 0.146 8 0 "[ . 1 . 2]"
1 91 GLN 0.075 0.032 8 0 "[ . 1 . 2]"
1 92 ALA 4.016 0.088 5 0 "[ . 1 . 2]"
1 93 ILE 9.750 0.284 8 0 "[ . 1 . 2]"
1 94 ARG 4.758 0.146 8 0 "[ . 1 . 2]"
1 95 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 ALA 3.569 0.168 9 0 "[ . 1 . 2]"
1 97 GLU 9.287 0.284 8 0 "[ . 1 . 2]"
1 98 GLU 2.174 0.129 9 0 "[ . 1 . 2]"
1 99 ASP 1.346 0.112 15 0 "[ . 1 . 2]"
1 100 LYS 2.526 0.160 12 0 "[ . 1 . 2]"
1 101 GLU 0.625 0.034 18 0 "[ . 1 . 2]"
1 102 SER 0.963 0.051 11 0 "[ . 1 . 2]"
1 103 ASN 1.099 0.083 18 0 "[ . 1 . 2]"
1 104 ALA 0.006 0.006 8 0 "[ . 1 . 2]"
1 105 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 11 0 "[ . 1 . 2]"
1 107 PHE 0.295 0.100 11 0 "[ . 1 . 2]"
1 108 GLU 0.263 0.100 11 0 "[ . 1 . 2]"
1 109 PRO 0.494 0.185 6 0 "[ . 1 . 2]"
1 110 THR 0.494 0.185 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LEU H 1 3 GLN H 1.800 . 4.800 4.230 2.075 4.636 . 0 0 "[ . 1 . 2]" 1
2 1 3 GLN HA 1 4 GLU H 1.800 . 3.800 2.843 2.206 3.567 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLU H 1 5 ARG HB3 1.800 . 6.300 5.434 4.187 6.114 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLU HA 1 5 ARG H 1.800 . 3.800 3.517 3.160 3.570 . 0 0 "[ . 1 . 2]" 1
5 1 5 ARG H 1 5 ARG HB2 1.800 . 3.300 2.764 2.066 3.316 0.016 10 0 "[ . 1 . 2]" 1
6 1 5 ARG HA 1 6 VAL H 1.800 . 3.300 2.516 2.317 3.555 0.255 10 0 "[ . 1 . 2]" 1
7 1 5 ARG HD2 1 6 VAL H 1.800 . 3.000 1.998 1.919 2.684 . 0 0 "[ . 1 . 2]" 1
8 1 5 ARG HD2 1 6 VAL HA 1.800 . 4.800 4.795 4.743 4.853 0.053 6 0 "[ . 1 . 2]" 1
9 1 5 ARG HD2 1 6 VAL HB 1.800 . 4.300 4.088 3.443 4.308 0.008 6 0 "[ . 1 . 2]" 1
10 1 5 ARG HD3 1 6 VAL H 1.800 . 3.000 2.674 2.394 3.351 0.351 16 0 "[ . 1 . 2]" 1
11 1 6 VAL H 1 6 VAL HB 1.800 . 3.300 2.744 2.603 3.137 . 0 0 "[ . 1 . 2]" 1
12 1 6 VAL H 1 7 PHE H 1.800 . 4.800 4.465 4.056 4.561 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL H 1 8 HIS H 1.800 . 6.500 6.500 6.452 6.549 0.049 16 0 "[ . 1 . 2]" 1
14 1 6 VAL HA 1 7 PHE H 1.800 . 3.000 2.230 2.160 2.265 . 0 0 "[ . 1 . 2]" 1
15 1 7 PHE H 1 7 PHE HB2 1.800 . 3.000 2.459 2.229 2.687 . 0 0 "[ . 1 . 2]" 1
16 1 7 PHE H 1 8 HIS H 1.800 . 4.800 4.414 4.368 4.465 . 0 0 "[ . 1 . 2]" 1
17 1 7 PHE H 1 8 HIS HB3 1.800 . 6.500 6.498 6.455 6.541 0.041 16 0 "[ . 1 . 2]" 1
18 1 8 HIS H 1 8 HIS HB2 1.800 . 3.300 2.877 2.753 2.962 . 0 0 "[ . 1 . 2]" 1
19 1 8 HIS H 1 8 HIS HB3 1.800 . 3.300 2.937 2.813 3.153 . 0 0 "[ . 1 . 2]" 1
20 1 8 HIS H 1 9 ILE H 1.800 . 4.800 4.458 4.443 4.488 . 0 0 "[ . 1 . 2]" 1
21 1 8 HIS HA 1 9 ILE H 1.800 . 3.000 2.450 2.419 2.483 . 0 0 "[ . 1 . 2]" 1
22 1 8 HIS HA 1 9 ILE HB 1.800 . 4.800 4.791 4.727 4.832 0.032 20 0 "[ . 1 . 2]" 1
23 1 8 HIS HB2 1 9 ILE H 1.800 . 4.300 3.904 3.876 3.950 . 0 0 "[ . 1 . 2]" 1
24 1 8 HIS HB3 1 9 ILE H 1.800 . 3.300 3.184 2.887 3.310 0.010 5 0 "[ . 1 . 2]" 1
25 1 9 ILE H 1 9 ILE HB 1.800 . 3.300 2.591 2.565 2.611 . 0 0 "[ . 1 . 2]" 1
26 1 9 ILE H 1 10 ASN H 1.800 . 3.300 2.784 2.680 2.823 . 0 0 "[ . 1 . 2]" 1
27 1 9 ILE H 1 27 VAL HB 1.800 . 6.500 6.517 6.438 6.572 0.072 18 0 "[ . 1 . 2]" 1
28 1 9 ILE HA 1 10 ASN H 1.800 . 3.800 3.533 3.521 3.539 . 0 0 "[ . 1 . 2]" 1
29 1 9 ILE HA 1 27 VAL HB 1.800 . 4.800 4.556 4.431 4.657 . 0 0 "[ . 1 . 2]" 1
30 1 9 ILE HA 1 28 THR H 1.800 . 5.300 5.261 5.110 5.327 0.027 18 0 "[ . 1 . 2]" 1
31 1 9 ILE HA 1 28 THR HA 1.800 . 3.800 3.184 2.911 3.314 . 0 0 "[ . 1 . 2]" 1
32 1 9 ILE HA 1 29 SER H 1.800 . 4.800 4.686 4.600 4.801 0.001 6 0 "[ . 1 . 2]" 1
33 1 9 ILE HB 1 10 ASN H 1.800 . 4.300 3.960 3.940 3.987 . 0 0 "[ . 1 . 2]" 1
34 1 9 ILE HB 1 28 THR HA 1.800 . 4.300 4.270 4.107 4.365 0.065 17 0 "[ . 1 . 2]" 1
35 1 10 ASN H 1 11 ASP H 1.800 . 3.300 2.689 2.683 2.696 . 0 0 "[ . 1 . 2]" 1
36 1 10 ASN H 1 11 ASP HA 1.800 . 5.300 4.957 4.950 4.968 . 0 0 "[ . 1 . 2]" 1
37 1 10 ASN H 1 11 ASP HB2 1.800 . 4.800 4.632 4.589 4.655 . 0 0 "[ . 1 . 2]" 1
38 1 10 ASN H 1 26 LYS HA 1.800 . 6.500 6.408 6.219 6.558 0.058 12 0 "[ . 1 . 2]" 1
39 1 10 ASN H 1 27 VAL H 1.800 . 5.800 5.855 5.827 5.896 0.096 8 0 "[ . 1 . 2]" 1
40 1 10 ASN H 1 27 VAL HB 1.800 . 6.500 6.523 6.452 6.574 0.074 18 0 "[ . 1 . 2]" 1
41 1 10 ASN H 1 28 THR HA 1.800 . 6.300 6.095 5.900 6.174 . 0 0 "[ . 1 . 2]" 1
42 1 10 ASN H 1 103 ASN H 1.800 . 4.800 4.827 4.734 4.883 0.083 18 0 "[ . 1 . 2]" 1
43 1 10 ASN HA 1 11 ASP H 1.800 . 3.800 3.554 3.552 3.556 . 0 0 "[ . 1 . 2]" 1
44 1 11 ASP H 1 11 ASP HB3 1.800 . 3.800 3.838 3.767 3.974 0.174 7 0 "[ . 1 . 2]" 1
45 1 11 ASP H 1 12 ARG H 1.800 . 3.800 3.487 3.462 3.517 . 0 0 "[ . 1 . 2]" 1
46 1 11 ASP H 1 26 LYS HA 1.800 . 5.300 5.146 5.001 5.260 . 0 0 "[ . 1 . 2]" 1
47 1 11 ASP H 1 27 VAL H 1.800 . 4.800 4.699 4.682 4.736 . 0 0 "[ . 1 . 2]" 1
48 1 11 ASP H 1 27 VAL HB 1.800 . 5.800 5.472 5.387 5.517 . 0 0 "[ . 1 . 2]" 1
49 1 11 ASP H 1 103 ASN H 1.800 . 6.300 6.229 5.980 6.371 0.071 8 0 "[ . 1 . 2]" 1
50 1 11 ASP HA 1 12 ARG H 1.800 . 3.000 2.257 2.244 2.272 . 0 0 "[ . 1 . 2]" 1
51 1 11 ASP HB2 1 12 ARG H 1.800 . 4.800 4.659 4.653 4.667 . 0 0 "[ . 1 . 2]" 1
52 1 11 ASP HB2 1 27 VAL H 1.800 . 3.000 2.162 1.869 2.307 . 0 0 "[ . 1 . 2]" 1
53 1 11 ASP HB3 1 12 ARG H 1.800 . 4.300 4.254 4.144 4.310 0.010 1 0 "[ . 1 . 2]" 1
54 1 11 ASP HB3 1 26 LYS H 1.800 . 5.300 5.228 5.072 5.348 0.048 5 0 "[ . 1 . 2]" 1
55 1 11 ASP HB3 1 27 VAL H 1.800 . 3.000 2.075 1.936 2.380 . 0 0 "[ . 1 . 2]" 1
56 1 12 ARG H 1 12 ARG HB2 1.800 . 3.800 3.595 3.591 3.602 . 0 0 "[ . 1 . 2]" 1
57 1 12 ARG H 1 12 ARG HB3 1.800 . 3.300 2.790 2.776 2.811 . 0 0 "[ . 1 . 2]" 1
58 1 12 ARG H 1 13 VAL H 1.800 . 4.300 4.314 4.295 4.337 0.037 15 0 "[ . 1 . 2]" 1
59 1 12 ARG H 1 101 GLU HB2 1.800 . 3.800 3.758 3.310 3.830 0.030 16 0 "[ . 1 . 2]" 1
60 1 12 ARG HA 1 13 VAL H 1.800 . 3.000 2.166 2.160 2.173 . 0 0 "[ . 1 . 2]" 1
61 1 12 ARG HB2 1 13 VAL H 1.800 . 3.800 3.758 3.725 3.790 . 0 0 "[ . 1 . 2]" 1
62 1 12 ARG HB2 1 75 PHE H 1.800 . 5.300 5.335 5.320 5.364 0.064 18 0 "[ . 1 . 2]" 1
63 1 12 ARG HB3 1 13 VAL H 1.800 . 4.800 4.378 4.359 4.393 . 0 0 "[ . 1 . 2]" 1
64 1 13 VAL H 1 14 TRP H 1.800 . 4.800 4.407 4.402 4.411 . 0 0 "[ . 1 . 2]" 1
65 1 13 VAL H 1 26 LYS H 1.800 . 6.500 6.283 6.033 6.513 0.013 15 0 "[ . 1 . 2]" 1
66 1 13 VAL H 1 74 PHE HA 1.800 . 5.800 5.382 5.063 5.689 . 0 0 "[ . 1 . 2]" 1
67 1 13 VAL H 1 75 PHE H 1.800 . 5.300 5.069 4.806 5.341 0.041 19 0 "[ . 1 . 2]" 1
68 1 13 VAL HA 1 14 TRP H 1.800 . 3.000 2.498 2.412 2.521 . 0 0 "[ . 1 . 2]" 1
69 1 13 VAL HA 1 72 ILE HB 1.800 . 5.300 5.217 5.063 5.329 0.029 11 0 "[ . 1 . 2]" 1
70 1 13 VAL HA 1 73 THR H 1.800 . 5.800 5.390 5.222 5.515 . 0 0 "[ . 1 . 2]" 1
71 1 13 VAL HA 1 74 PHE HA 1.800 . 3.300 2.608 2.235 2.876 . 0 0 "[ . 1 . 2]" 1
72 1 13 VAL HA 1 75 PHE H 1.800 . 3.300 2.397 2.064 2.739 . 0 0 "[ . 1 . 2]" 1
73 1 13 VAL HB 1 14 TRP H 1.800 . 3.000 2.168 2.116 2.358 . 0 0 "[ . 1 . 2]" 1
74 1 13 VAL HB 1 14 TRP HA 1.800 . 4.800 4.359 4.280 4.476 . 0 0 "[ . 1 . 2]" 1
75 1 13 VAL HB 1 72 ILE H 1.800 . 6.300 6.189 5.928 6.395 0.095 11 0 "[ . 1 . 2]" 1
76 1 13 VAL HB 1 72 ILE HB 1.800 . 3.300 2.922 2.738 3.071 . 0 0 "[ . 1 . 2]" 1
77 1 13 VAL HB 1 73 THR H 1.800 . 4.300 4.171 3.988 4.318 0.018 20 0 "[ . 1 . 2]" 1
78 1 13 VAL HB 1 74 PHE HB2 1.800 . 5.800 5.399 4.938 5.810 0.010 17 0 "[ . 1 . 2]" 1
79 1 14 TRP H 1 15 LEU H 1.800 . 4.800 4.393 4.348 4.411 . 0 0 "[ . 1 . 2]" 1
80 1 14 TRP H 1 15 LEU HB2 1.800 . 5.800 5.405 5.251 5.539 . 0 0 "[ . 1 . 2]" 1
81 1 14 TRP H 1 72 ILE HA 1.800 . 4.800 4.556 4.470 4.624 . 0 0 "[ . 1 . 2]" 1
82 1 14 TRP H 1 72 ILE HB 1.800 . 3.800 3.401 3.251 3.498 . 0 0 "[ . 1 . 2]" 1
83 1 14 TRP H 1 73 THR H 1.800 . 3.300 3.089 2.921 3.152 . 0 0 "[ . 1 . 2]" 1
84 1 14 TRP H 1 73 THR HA 1.800 . 4.800 4.585 4.469 4.666 . 0 0 "[ . 1 . 2]" 1
85 1 14 TRP H 1 75 PHE H 1.800 . 3.300 3.139 2.762 3.345 0.045 19 0 "[ . 1 . 2]" 1
86 1 14 TRP HA 1 15 LEU H 1.800 . 3.000 2.170 2.160 2.174 . 0 0 "[ . 1 . 2]" 1
87 1 14 TRP HA 1 15 LEU HA 1.800 . 4.800 4.390 4.383 4.399 . 0 0 "[ . 1 . 2]" 1
88 1 14 TRP HA 1 15 LEU HB3 1.800 . 4.800 4.779 4.617 4.836 0.036 16 0 "[ . 1 . 2]" 1
89 1 14 TRP HA 1 24 PRO HA 1.800 . 3.300 3.144 2.395 3.432 0.132 11 0 "[ . 1 . 2]" 1
90 1 14 TRP HA 1 24 PRO HB2 1.800 . 6.300 5.687 4.907 5.978 . 0 0 "[ . 1 . 2]" 1
91 1 15 LEU H 1 15 LEU HB2 1.800 . 3.300 2.769 2.676 2.889 . 0 0 "[ . 1 . 2]" 1
92 1 15 LEU H 1 15 LEU HB3 1.800 . 3.300 2.744 2.595 2.822 . 0 0 "[ . 1 . 2]" 1
93 1 15 LEU H 1 15 LEU HG 1.800 . 4.800 4.573 4.540 4.611 . 0 0 "[ . 1 . 2]" 1
94 1 15 LEU H 1 16 LYS H 1.800 . 4.800 4.396 4.303 4.448 . 0 0 "[ . 1 . 2]" 1
95 1 15 LEU H 1 16 LYS HA 1.800 . 5.300 4.941 4.818 5.025 . 0 0 "[ . 1 . 2]" 1
96 1 15 LEU H 1 17 THR H 1.800 . 6.300 6.049 5.886 6.376 0.076 4 0 "[ . 1 . 2]" 1
97 1 15 LEU H 1 23 TRP H 1.800 . 3.800 3.417 2.930 3.815 0.015 11 0 "[ . 1 . 2]" 1
98 1 15 LEU H 1 24 PRO HA 1.800 . 3.800 3.463 3.003 3.686 . 0 0 "[ . 1 . 2]" 1
99 1 15 LEU H 1 24 PRO HB3 1.800 . 5.800 5.572 5.101 5.802 0.002 4 0 "[ . 1 . 2]" 1
100 1 15 LEU H 1 72 ILE HA 1.800 . 5.300 4.905 4.793 4.984 . 0 0 "[ . 1 . 2]" 1
101 1 15 LEU H 1 73 THR H 1.800 . 5.300 4.944 4.833 5.012 . 0 0 "[ . 1 . 2]" 1
102 1 15 LEU HA 1 16 LYS H 1.800 . 3.000 2.157 2.138 2.165 . 0 0 "[ . 1 . 2]" 1
103 1 15 LEU HA 1 72 ILE H 1.800 . 5.300 4.962 4.803 5.109 . 0 0 "[ . 1 . 2]" 1
104 1 15 LEU HA 1 72 ILE HA 1.800 . 3.000 2.524 2.336 2.672 . 0 0 "[ . 1 . 2]" 1
105 1 15 LEU HA 1 72 ILE HB 1.800 . 3.300 3.124 2.996 3.274 . 0 0 "[ . 1 . 2]" 1
106 1 15 LEU HA 1 73 THR H 1.800 . 3.800 3.777 3.623 3.820 0.020 20 0 "[ . 1 . 2]" 1
107 1 15 LEU HB2 1 22 TRP HA 1.800 . 6.300 6.228 5.987 6.416 0.116 17 0 "[ . 1 . 2]" 1
108 1 15 LEU HB2 1 23 TRP H 1.800 . 4.800 4.556 4.149 4.828 0.028 11 0 "[ . 1 . 2]" 1
109 1 15 LEU HB3 1 16 LYS H 1.800 . 4.300 4.004 3.945 4.108 . 0 0 "[ . 1 . 2]" 1
110 1 15 LEU HB3 1 22 TRP HA 1.800 . 4.800 4.698 4.480 4.876 0.076 4 0 "[ . 1 . 2]" 1
111 1 15 LEU HB3 1 23 TRP H 1.800 . 3.300 3.018 2.714 3.310 0.010 9 0 "[ . 1 . 2]" 1
112 1 15 LEU HG 1 16 LYS H 1.800 . 3.300 2.886 2.712 3.084 . 0 0 "[ . 1 . 2]" 1
113 1 15 LEU HG 1 73 THR H 1.800 . 5.800 5.765 5.571 5.827 0.027 16 0 "[ . 1 . 2]" 1
114 1 16 LYS H 1 17 THR H 1.800 . 4.800 4.352 4.294 4.523 . 0 0 "[ . 1 . 2]" 1
115 1 16 LYS H 1 18 GLY H 1.800 . 5.800 5.758 5.516 5.831 0.031 15 0 "[ . 1 . 2]" 1
116 1 16 LYS H 1 23 TRP H 1.800 . 5.300 5.064 4.858 5.325 0.025 15 0 "[ . 1 . 2]" 1
117 1 16 LYS H 1 71 ALA H 1.800 . 6.500 6.528 6.508 6.572 0.072 11 0 "[ . 1 . 2]" 1
118 1 16 LYS H 1 71 ALA HA 1.800 . 5.300 5.111 5.009 5.223 . 0 0 "[ . 1 . 2]" 1
119 1 16 LYS H 1 72 ILE H 1.800 . 5.800 5.406 5.343 5.509 . 0 0 "[ . 1 . 2]" 1
120 1 16 LYS H 1 72 ILE HA 1.800 . 3.300 3.299 3.132 3.392 0.092 15 0 "[ . 1 . 2]" 1
121 1 16 LYS HA 1 17 THR H 1.800 . 3.000 2.146 2.141 2.163 . 0 0 "[ . 1 . 2]" 1
122 1 16 LYS HA 1 18 GLY H 1.800 . 3.800 3.715 3.528 3.873 0.073 9 0 "[ . 1 . 2]" 1
123 1 16 LYS HA 1 22 TRP HA 1.800 . 3.300 2.729 2.319 3.307 0.007 15 0 "[ . 1 . 2]" 1
124 1 16 LYS HA 1 23 TRP H 1.800 . 4.300 3.927 3.669 4.341 0.041 15 0 "[ . 1 . 2]" 1
125 1 16 LYS HE2 1 20 ASN HA 1.800 . 5.300 4.663 3.480 5.413 0.113 4 0 "[ . 1 . 2]" 1
126 1 16 LYS HE3 1 20 ASN HA 1.800 . 6.500 5.909 3.673 6.559 0.059 15 0 "[ . 1 . 2]" 1
127 1 17 THR H 1 17 THR HB 1.800 . 3.300 2.839 2.750 2.944 . 0 0 "[ . 1 . 2]" 1
128 1 17 THR H 1 18 GLY H 1.800 . 3.000 2.558 2.168 2.839 . 0 0 "[ . 1 . 2]" 1
129 1 17 THR H 1 21 THR H 1.800 . 4.800 4.463 4.259 4.856 0.056 15 0 "[ . 1 . 2]" 1
130 1 17 THR H 1 22 TRP HA 1.800 . 3.000 2.335 2.085 2.616 . 0 0 "[ . 1 . 2]" 1
131 1 17 THR H 1 23 TRP H 1.800 . 4.300 3.800 3.486 4.235 . 0 0 "[ . 1 . 2]" 1
132 1 17 THR HA 1 18 GLY H 1.800 . 3.800 3.511 3.460 3.550 . 0 0 "[ . 1 . 2]" 1
133 1 17 THR HA 1 23 TRP H 1.800 . 5.800 5.354 5.062 5.719 . 0 0 "[ . 1 . 2]" 1
134 1 17 THR HB 1 18 GLY H 1.800 . 3.300 2.800 2.549 3.081 . 0 0 "[ . 1 . 2]" 1
135 1 17 THR HB 1 23 TRP H 1.800 . 5.800 5.594 5.268 5.812 0.012 11 0 "[ . 1 . 2]" 1
136 1 18 GLY H 1 19 ALA H 1.800 . 3.300 2.641 2.099 3.356 0.056 4 0 "[ . 1 . 2]" 1
137 1 18 GLY H 1 21 THR H 1.800 . 3.800 3.500 3.336 3.812 0.012 15 0 "[ . 1 . 2]" 1
138 1 18 GLY H 1 21 THR HA 1.800 . 5.800 5.558 5.228 5.745 . 0 0 "[ . 1 . 2]" 1
139 1 18 GLY H 1 21 THR HB 1.800 . 4.300 4.182 3.524 4.394 0.094 8 0 "[ . 1 . 2]" 1
140 1 18 GLY H 1 22 TRP HA 1.800 . 4.800 4.552 4.227 4.813 0.013 20 0 "[ . 1 . 2]" 1
141 1 18 GLY H 1 23 TRP H 1.800 . 6.300 6.330 6.206 6.401 0.101 10 0 "[ . 1 . 2]" 1
142 1 19 ALA H 1 20 ASN HB2 1.800 . 4.800 4.598 4.216 4.887 0.087 11 0 "[ . 1 . 2]" 1
143 1 19 ALA H 1 21 THR H 1.800 . 3.000 2.504 2.254 3.056 0.056 5 0 "[ . 1 . 2]" 1
144 1 19 ALA H 1 21 THR HA 1.800 . 5.800 5.318 5.159 5.524 . 0 0 "[ . 1 . 2]" 1
145 1 19 ALA H 1 21 THR HB 1.800 . 4.800 4.518 4.138 4.788 . 0 0 "[ . 1 . 2]" 1
146 1 20 ASN H 1 22 TRP H 1.800 . 6.500 6.381 6.143 6.604 0.104 20 0 "[ . 1 . 2]" 1
147 1 20 ASN HA 1 21 THR H 1.800 . 3.300 3.182 3.040 3.348 0.048 15 0 "[ . 1 . 2]" 1
148 1 20 ASN HB3 1 22 TRP H 1.800 . 6.300 6.288 6.141 6.423 0.123 5 0 "[ . 1 . 2]" 1
149 1 21 THR H 1 21 THR HB 1.800 . 3.800 3.208 2.988 3.614 . 0 0 "[ . 1 . 2]" 1
150 1 21 THR H 1 22 TRP H 1.800 . 4.800 4.306 4.166 4.441 . 0 0 "[ . 1 . 2]" 1
151 1 21 THR H 1 22 TRP HA 1.800 . 5.300 4.968 4.864 5.192 . 0 0 "[ . 1 . 2]" 1
152 1 21 THR HA 1 22 TRP H 1.800 . 3.000 2.146 2.141 2.158 . 0 0 "[ . 1 . 2]" 1
153 1 21 THR HB 1 22 TRP H 1.800 . 3.800 3.768 3.555 3.863 0.063 9 0 "[ . 1 . 2]" 1
154 1 22 TRP H 1 23 TRP H 1.800 . 4.800 4.383 4.255 4.451 . 0 0 "[ . 1 . 2]" 1
155 1 22 TRP H 1 86 ASN HB3 1.800 . 6.500 6.533 6.506 6.575 0.075 8 0 "[ . 1 . 2]" 1
156 1 22 TRP HA 1 23 TRP H 1.800 . 3.000 2.238 2.149 2.340 . 0 0 "[ . 1 . 2]" 1
157 1 23 TRP H 1 25 ALA H 1.800 . 6.300 6.321 6.270 6.389 0.089 19 0 "[ . 1 . 2]" 1
158 1 24 PRO HA 1 25 ALA H 1.800 . 3.000 2.187 2.180 2.190 . 0 0 "[ . 1 . 2]" 1
159 1 24 PRO HB2 1 99 ASP H 1.800 . 6.300 6.120 5.757 6.306 0.006 18 0 "[ . 1 . 2]" 1
160 1 24 PRO HB3 1 25 ALA H 1.800 . 4.300 3.849 3.838 3.870 . 0 0 "[ . 1 . 2]" 1
161 1 24 PRO HB3 1 96 ALA H 1.800 . 3.800 3.284 2.949 3.830 0.030 15 0 "[ . 1 . 2]" 1
162 1 24 PRO HB3 1 99 ASP H 1.800 . 6.300 6.300 5.989 6.382 0.082 20 0 "[ . 1 . 2]" 1
163 1 25 ALA H 1 26 LYS H 1.800 . 4.800 4.378 4.343 4.421 . 0 0 "[ . 1 . 2]" 1
164 1 25 ALA H 1 52 THR HB 1.800 . 5.300 5.000 4.890 5.110 . 0 0 "[ . 1 . 2]" 1
165 1 25 ALA H 1 53 TYR H 1.800 . 6.300 6.241 6.035 6.343 0.043 15 0 "[ . 1 . 2]" 1
166 1 25 ALA HA 1 26 LYS H 1.800 . 3.000 2.173 2.168 2.179 . 0 0 "[ . 1 . 2]" 1
167 1 25 ALA HA 1 27 VAL H 1.800 . 6.300 6.071 6.018 6.120 . 0 0 "[ . 1 . 2]" 1
168 1 25 ALA HA 1 50 VAL HB 1.800 . 5.800 5.395 5.299 5.579 . 0 0 "[ . 1 . 2]" 1
169 1 25 ALA HA 1 52 THR HA 1.800 . 3.300 3.147 2.650 3.316 0.016 8 0 "[ . 1 . 2]" 1
170 1 25 ALA HA 1 52 THR HB 1.800 . 3.300 2.966 2.632 3.121 . 0 0 "[ . 1 . 2]" 1
171 1 25 ALA HA 1 53 TYR H 1.800 . 4.800 4.579 4.069 4.743 . 0 0 "[ . 1 . 2]" 1
172 1 26 LYS H 1 27 VAL H 1.800 . 4.800 4.346 4.303 4.433 . 0 0 "[ . 1 . 2]" 1
173 1 26 LYS H 1 51 LEU H 1.800 . 4.300 4.367 4.283 4.416 0.116 11 0 "[ . 1 . 2]" 1
174 1 26 LYS H 1 52 THR HA 1.800 . 3.000 2.460 2.209 2.651 . 0 0 "[ . 1 . 2]" 1
175 1 26 LYS H 1 52 THR HB 1.800 . 3.800 3.860 3.822 3.914 0.114 8 0 "[ . 1 . 2]" 1
176 1 26 LYS HA 1 27 VAL H 1.800 . 3.000 2.164 2.152 2.177 . 0 0 "[ . 1 . 2]" 1
177 1 26 LYS HA 1 27 VAL HB 1.800 . 4.800 4.752 4.726 4.779 . 0 0 "[ . 1 . 2]" 1
178 1 27 VAL H 1 27 VAL HB 1.800 . 3.300 2.624 2.592 2.647 . 0 0 "[ . 1 . 2]" 1
179 1 27 VAL H 1 28 THR H 1.800 . 4.800 4.426 4.393 4.450 . 0 0 "[ . 1 . 2]" 1
180 1 27 VAL HA 1 28 THR H 1.800 . 3.000 2.140 2.139 2.141 . 0 0 "[ . 1 . 2]" 1
181 1 27 VAL HA 1 29 SER H 1.800 . 3.800 3.441 3.433 3.457 . 0 0 "[ . 1 . 2]" 1
182 1 27 VAL HA 1 50 VAL H 1.800 . 5.300 5.019 4.902 5.083 . 0 0 "[ . 1 . 2]" 1
183 1 27 VAL HA 1 50 VAL HA 1.800 . 3.000 2.710 2.461 2.867 . 0 0 "[ . 1 . 2]" 1
184 1 27 VAL HA 1 50 VAL HB 1.800 . 3.000 2.142 2.014 2.242 . 0 0 "[ . 1 . 2]" 1
185 1 27 VAL HA 1 51 LEU H 1.800 . 3.800 3.520 3.213 3.686 . 0 0 "[ . 1 . 2]" 1
186 1 27 VAL HB 1 28 THR H 1.800 . 4.300 4.180 4.168 4.202 . 0 0 "[ . 1 . 2]" 1
187 1 28 THR H 1 28 THR HB 1.800 . 3.300 2.768 2.693 2.816 . 0 0 "[ . 1 . 2]" 1
188 1 28 THR H 1 29 SER H 1.800 . 3.000 2.476 2.445 2.519 . 0 0 "[ . 1 . 2]" 1
189 1 28 THR H 1 30 VAL H 1.800 . 4.300 4.116 4.001 4.212 . 0 0 "[ . 1 . 2]" 1
190 1 28 THR H 1 49 THR HB 1.800 . 5.800 5.713 5.426 5.810 0.010 11 0 "[ . 1 . 2]" 1
191 1 28 THR H 1 50 VAL HA 1.800 . 3.000 2.350 2.207 2.412 . 0 0 "[ . 1 . 2]" 1
192 1 28 THR H 1 50 VAL HB 1.800 . 3.800 3.522 3.419 3.623 . 0 0 "[ . 1 . 2]" 1
193 1 28 THR H 1 51 LEU H 1.800 . 3.300 3.252 3.063 3.351 0.051 9 0 "[ . 1 . 2]" 1
194 1 28 THR HA 1 29 SER H 1.800 . 3.800 3.308 3.277 3.328 . 0 0 "[ . 1 . 2]" 1
195 1 29 SER H 1 29 SER HA 1.800 . 3.000 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
196 1 29 SER H 1 30 VAL H 1.800 . 3.300 2.764 2.687 2.843 . 0 0 "[ . 1 . 2]" 1
197 1 29 SER H 1 30 VAL HA 1.800 . 5.300 5.276 5.257 5.315 0.015 14 0 "[ . 1 . 2]" 1
198 1 29 SER H 1 49 THR H 1.800 . 5.800 5.595 5.525 5.670 . 0 0 "[ . 1 . 2]" 1
199 1 29 SER H 1 50 VAL HA 1.800 . 4.300 4.263 4.117 4.329 0.029 20 0 "[ . 1 . 2]" 1
200 1 29 SER H 1 51 LEU H 1.800 . 5.800 5.694 5.525 5.794 . 0 0 "[ . 1 . 2]" 1
201 1 29 SER HA 1 30 VAL H 1.800 . 3.300 2.641 2.584 2.734 . 0 0 "[ . 1 . 2]" 1
202 1 29 SER HB3 1 30 VAL H 1.800 . 4.300 4.305 4.254 4.342 0.042 14 0 "[ . 1 . 2]" 1
203 1 30 VAL H 1 30 VAL HB 1.800 . 3.300 2.656 2.601 2.744 . 0 0 "[ . 1 . 2]" 1
204 1 30 VAL H 1 50 VAL HB 1.800 . 6.500 6.613 6.581 6.662 0.162 7 0 "[ . 1 . 2]" 1
205 1 30 VAL HA 1 31 THR H 1.800 . 3.000 2.143 2.142 2.146 . 0 0 "[ . 1 . 2]" 1
206 1 30 VAL HA 1 49 THR H 1.800 . 4.800 4.843 4.817 4.914 0.114 3 0 "[ . 1 . 2]" 1
207 1 30 VAL HA 1 49 THR HB 1.800 . 5.300 5.300 5.235 5.365 0.065 16 0 "[ . 1 . 2]" 1
208 1 30 VAL HB 1 31 THR H 1.800 . 4.800 4.334 4.301 4.345 . 0 0 "[ . 1 . 2]" 1
209 1 30 VAL HB 1 32 GLY HA2 1.800 . 6.500 6.426 6.321 6.534 0.034 16 0 "[ . 1 . 2]" 1
210 1 30 VAL HB 1 48 VAL HA 1.800 . 5.300 4.932 4.851 5.240 . 0 0 "[ . 1 . 2]" 1
211 1 31 THR H 1 31 THR HB 1.800 . 3.300 2.674 2.441 3.359 0.059 3 0 "[ . 1 . 2]" 1
212 1 31 THR H 1 32 GLY H 1.800 . 4.800 4.593 4.501 4.622 . 0 0 "[ . 1 . 2]" 1
213 1 31 THR H 1 47 THR H 1.800 . 6.500 6.599 6.538 6.627 0.127 18 0 "[ . 1 . 2]" 1
214 1 31 THR H 1 49 THR H 1.800 . 4.800 4.823 4.722 4.856 0.056 11 0 "[ . 1 . 2]" 1
215 1 31 THR H 1 49 THR HB 1.800 . 6.300 5.937 5.813 5.977 . 0 0 "[ . 1 . 2]" 1
216 1 31 THR HA 1 32 GLY H 1.800 . 3.000 2.483 2.383 2.712 . 0 0 "[ . 1 . 2]" 1
217 1 31 THR HA 1 33 VAL H 1.800 . 4.800 4.495 4.228 4.874 0.074 12 0 "[ . 1 . 2]" 1
218 1 31 THR HA 1 48 VAL H 1.800 . 4.800 4.670 4.516 4.771 . 0 0 "[ . 1 . 2]" 1
219 1 31 THR HB 1 33 VAL H 1.800 . 4.800 4.418 2.196 4.806 0.006 12 0 "[ . 1 . 2]" 1
220 1 31 THR HB 1 48 VAL H 1.800 . 6.500 6.556 6.519 6.683 0.183 3 0 "[ . 1 . 2]" 1
221 1 31 THR HB 1 49 THR H 1.800 . 5.800 5.832 5.784 5.892 0.092 12 0 "[ . 1 . 2]" 1
222 1 32 GLY H 1 32 GLY HA3 1.800 . 3.000 2.514 2.439 2.721 . 0 0 "[ . 1 . 2]" 1
223 1 32 GLY H 1 33 VAL H 1.800 . 3.300 2.709 1.924 2.942 . 0 0 "[ . 1 . 2]" 1
224 1 32 GLY H 1 33 VAL HB 1.800 . 4.300 4.177 3.994 4.342 0.042 2 0 "[ . 1 . 2]" 1
225 1 32 GLY HA2 1 33 VAL H 1.800 . 3.300 2.842 2.694 3.323 0.023 3 0 "[ . 1 . 2]" 1
226 1 32 GLY HA2 1 46 SER HA 1.800 . 6.500 6.495 6.256 6.550 0.050 12 0 "[ . 1 . 2]" 1
227 1 32 GLY HA3 1 46 SER HA 1.800 . 5.800 5.590 5.300 5.888 0.088 12 0 "[ . 1 . 2]" 1
228 1 33 VAL H 1 34 GLU H 1.800 . 3.300 2.522 2.036 2.691 . 0 0 "[ . 1 . 2]" 1
229 1 33 VAL H 1 46 SER HA 1.800 . 5.300 5.068 4.109 5.328 0.028 13 0 "[ . 1 . 2]" 1
230 1 33 VAL H 1 47 THR H 1.800 . 4.800 4.591 3.657 4.802 0.002 13 0 "[ . 1 . 2]" 1
231 1 33 VAL HA 1 34 GLU H 1.800 . 3.800 3.557 3.549 3.572 . 0 0 "[ . 1 . 2]" 1
232 1 33 VAL HB 1 45 THR H 1.800 . 4.800 4.587 3.698 4.812 0.012 10 0 "[ . 1 . 2]" 1
233 1 34 GLU H 1 35 GLY H 1.800 . 3.000 1.924 1.868 2.631 . 0 0 "[ . 1 . 2]" 1
234 1 34 GLU H 1 46 SER HA 1.800 . 5.300 5.100 4.486 5.312 0.012 19 0 "[ . 1 . 2]" 1
235 1 34 GLU HA 1 35 GLY H 1.800 . 3.300 2.980 2.499 3.511 0.211 10 0 "[ . 1 . 2]" 1
236 1 34 GLU HA 1 36 VAL H 1.800 . 5.300 4.977 4.518 5.356 0.056 13 0 "[ . 1 . 2]" 1
237 1 35 GLY H 1 36 VAL H 1.800 . 3.000 2.299 1.869 2.860 . 0 0 "[ . 1 . 2]" 1
238 1 36 VAL H 1 36 VAL HB 1.800 . 3.000 2.614 2.527 2.737 . 0 0 "[ . 1 . 2]" 1
239 1 36 VAL H 1 37 ASP H 1.800 . 3.000 2.316 2.191 2.547 . 0 0 "[ . 1 . 2]" 1
240 1 36 VAL H 1 37 ASP HA 1.800 . 4.800 4.802 4.639 4.857 0.057 12 0 "[ . 1 . 2]" 1
241 1 36 VAL H 1 46 SER HA 1.800 . 4.300 4.079 3.657 4.357 0.057 7 0 "[ . 1 . 2]" 1
242 1 36 VAL HA 1 37 ASP H 1.800 . 3.800 3.371 3.211 3.454 . 0 0 "[ . 1 . 2]" 1
243 1 36 VAL HB 1 38 GLY H 1.800 . 5.300 5.057 4.974 5.402 0.102 7 0 "[ . 1 . 2]" 1
244 1 36 VAL HB 1 44 GLY H 1.800 . 5.300 4.856 4.347 5.270 . 0 0 "[ . 1 . 2]" 1
245 1 37 ASP H 1 38 GLY H 1.800 . 3.300 2.686 2.491 2.762 . 0 0 "[ . 1 . 2]" 1
246 1 37 ASP H 1 46 SER H 1.800 . 6.500 6.158 5.813 6.472 . 0 0 "[ . 1 . 2]" 1
247 1 37 ASP HA 1 38 GLY H 1.800 . 3.800 3.441 3.296 3.487 . 0 0 "[ . 1 . 2]" 1
248 1 38 GLY H 1 38 GLY HA3 1.800 . 3.000 2.352 2.329 2.403 . 0 0 "[ . 1 . 2]" 1
249 1 38 GLY H 1 39 ARG H 1.800 . 3.000 2.319 2.110 2.427 . 0 0 "[ . 1 . 2]" 1
250 1 38 GLY H 1 46 SER HA 1.800 . 6.500 6.450 6.259 6.567 0.067 12 0 "[ . 1 . 2]" 1
251 1 38 GLY HA2 1 39 ARG H 1.800 . 3.800 3.392 3.239 3.448 . 0 0 "[ . 1 . 2]" 1
252 1 38 GLY HA3 1 39 ARG H 1.800 . 3.300 3.136 3.050 3.314 0.014 13 0 "[ . 1 . 2]" 1
253 1 39 ARG H 1 40 SER H 1.800 . 3.000 2.627 2.198 2.840 . 0 0 "[ . 1 . 2]" 1
254 1 40 SER HA 1 41 SER H 1.800 . 3.000 2.260 2.171 2.363 . 0 0 "[ . 1 . 2]" 1
255 1 40 SER HA 1 43 THR HB 1.800 . 6.300 6.056 5.868 6.303 0.003 10 0 "[ . 1 . 2]" 1
256 1 41 SER H 1 46 SER HA 1.800 . 6.500 6.516 6.505 6.539 0.039 12 0 "[ . 1 . 2]" 1
257 1 42 GLU H 1 42 GLU HB2 1.800 . 3.800 3.582 3.570 3.591 . 0 0 "[ . 1 . 2]" 1
258 1 42 GLU H 1 43 THR H 1.800 . 3.300 2.677 2.670 2.689 . 0 0 "[ . 1 . 2]" 1
259 1 42 GLU HA 1 43 THR H 1.800 . 3.800 3.457 3.437 3.503 . 0 0 "[ . 1 . 2]" 1
260 1 42 GLU HB2 1 43 THR H 1.800 . 4.300 4.033 3.790 4.141 . 0 0 "[ . 1 . 2]" 1
261 1 42 GLU HB3 1 43 THR H 1.800 . 4.300 4.038 3.962 4.130 . 0 0 "[ . 1 . 2]" 1
262 1 43 THR H 1 44 GLY H 1.800 . 3.300 2.821 2.588 3.127 . 0 0 "[ . 1 . 2]" 1
263 1 43 THR H 1 46 SER H 1.800 . 5.300 5.194 5.020 5.309 0.009 5 0 "[ . 1 . 2]" 1
264 1 43 THR HA 1 44 GLY H 1.800 . 3.800 3.569 3.559 3.576 . 0 0 "[ . 1 . 2]" 1
265 1 43 THR HB 1 44 GLY H 1.800 . 3.000 2.232 1.948 2.483 . 0 0 "[ . 1 . 2]" 1
266 1 44 GLY H 1 45 THR H 1.800 . 3.300 3.028 2.657 3.315 0.015 12 0 "[ . 1 . 2]" 1
267 1 44 GLY H 1 45 THR HA 1.800 . 4.800 4.348 4.246 4.475 . 0 0 "[ . 1 . 2]" 1
268 1 44 GLY H 1 46 SER HA 1.800 . 5.800 5.739 5.506 5.823 0.023 7 0 "[ . 1 . 2]" 1
269 1 45 THR H 1 46 SER H 1.800 . 3.300 2.935 2.780 3.247 . 0 0 "[ . 1 . 2]" 1
270 1 45 THR H 1 46 SER HA 1.800 . 4.300 4.136 4.079 4.302 0.002 16 0 "[ . 1 . 2]" 1
271 1 45 THR HA 1 46 SER H 1.800 . 3.000 2.517 2.421 2.637 . 0 0 "[ . 1 . 2]" 1
272 1 45 THR HB 1 46 SER H 1.800 . 4.300 4.277 4.215 4.338 0.038 13 0 "[ . 1 . 2]" 1
273 1 45 THR HB 1 47 THR H 1.800 . 4.800 4.793 4.744 4.824 0.024 2 0 "[ . 1 . 2]" 1
274 1 45 THR HB 1 47 THR HB 1.800 . 5.800 5.733 5.576 5.855 0.055 13 0 "[ . 1 . 2]" 1
275 1 46 SER HA 1 47 THR H 1.800 . 3.000 2.160 2.156 2.163 . 0 0 "[ . 1 . 2]" 1
276 1 47 THR H 1 47 THR HB 1.800 . 4.300 3.813 3.799 3.820 . 0 0 "[ . 1 . 2]" 1
277 1 47 THR H 1 48 VAL H 1.800 . 4.800 4.341 4.328 4.364 . 0 0 "[ . 1 . 2]" 1
278 1 47 THR H 1 48 VAL HB 1.800 . 6.500 6.520 6.513 6.529 0.029 19 0 "[ . 1 . 2]" 1
279 1 47 THR H 1 64 ASN HB2 1.800 . 5.300 5.296 5.164 5.328 0.028 17 0 "[ . 1 . 2]" 1
280 1 47 THR H 1 65 VAL H 1.800 . 6.500 6.514 6.494 6.537 0.037 13 0 "[ . 1 . 2]" 1
281 1 47 THR HA 1 48 VAL H 1.800 . 3.000 2.149 2.144 2.156 . 0 0 "[ . 1 . 2]" 1
282 1 47 THR HA 1 65 VAL H 1.800 . 4.800 4.303 4.228 4.376 . 0 0 "[ . 1 . 2]" 1
283 1 47 THR HA 1 66 ASP HA 1.800 . 3.300 2.774 2.658 2.844 . 0 0 "[ . 1 . 2]" 1
284 1 47 THR HA 1 67 SER H 1.800 . 5.800 5.646 5.585 5.717 . 0 0 "[ . 1 . 2]" 1
285 1 47 THR HB 1 48 VAL H 1.800 . 3.300 3.318 3.257 3.369 0.069 12 0 "[ . 1 . 2]" 1
286 1 47 THR HB 1 65 VAL H 1.800 . 3.800 3.454 3.408 3.496 . 0 0 "[ . 1 . 2]" 1
287 1 47 THR HB 1 67 SER H 1.800 . 6.500 6.515 6.480 6.535 0.035 7 0 "[ . 1 . 2]" 1
288 1 48 VAL H 1 48 VAL HB 1.800 . 3.000 2.547 2.526 2.558 . 0 0 "[ . 1 . 2]" 1
289 1 48 VAL H 1 49 THR H 1.800 . 4.800 4.320 4.314 4.348 . 0 0 "[ . 1 . 2]" 1
290 1 48 VAL H 1 49 THR HA 1.800 . 5.300 5.061 5.053 5.085 . 0 0 "[ . 1 . 2]" 1
291 1 48 VAL H 1 64 ASN HA 1.800 . 4.800 4.661 4.494 4.805 0.005 17 0 "[ . 1 . 2]" 1
292 1 48 VAL H 1 64 ASN HB2 1.800 . 4.800 4.636 4.467 4.760 . 0 0 "[ . 1 . 2]" 1
293 1 48 VAL H 1 65 VAL H 1.800 . 3.300 3.191 3.075 3.304 0.004 12 0 "[ . 1 . 2]" 1
294 1 48 VAL H 1 66 ASP H 1.800 . 4.800 4.252 3.959 4.431 . 0 0 "[ . 1 . 2]" 1
295 1 48 VAL H 1 66 ASP HA 1.800 . 3.300 2.833 2.514 3.036 . 0 0 "[ . 1 . 2]" 1
296 1 48 VAL H 1 67 SER H 1.800 . 4.800 4.798 4.710 4.814 0.014 16 0 "[ . 1 . 2]" 1
297 1 48 VAL HA 1 49 THR H 1.800 . 3.000 2.146 2.143 2.148 . 0 0 "[ . 1 . 2]" 1
298 1 48 VAL HA 1 49 THR HB 1.800 . 4.800 4.760 4.692 4.805 0.005 11 0 "[ . 1 . 2]" 1
299 1 48 VAL HA 1 66 ASP HA 1.800 . 5.800 5.574 5.227 5.806 0.006 11 0 "[ . 1 . 2]" 1
300 1 48 VAL HB 1 49 THR H 1.800 . 4.300 4.331 4.322 4.345 0.045 19 0 "[ . 1 . 2]" 1
301 1 49 THR H 1 49 THR HB 1.800 . 3.300 2.626 2.565 2.667 . 0 0 "[ . 1 . 2]" 1
302 1 49 THR H 1 50 VAL H 1.800 . 4.800 4.490 4.453 4.558 . 0 0 "[ . 1 . 2]" 1
303 1 49 THR H 1 64 ASN HA 1.800 . 4.300 3.984 3.929 4.026 . 0 0 "[ . 1 . 2]" 1
304 1 49 THR HA 1 50 VAL H 1.800 . 3.000 2.148 2.142 2.171 . 0 0 "[ . 1 . 2]" 1
305 1 49 THR HA 1 51 LEU H 1.800 . 6.300 6.240 6.227 6.259 . 0 0 "[ . 1 . 2]" 1
306 1 49 THR HA 1 51 LEU HB2 1.800 . 6.500 6.550 6.512 6.578 0.078 14 0 "[ . 1 . 2]" 1
307 1 49 THR HA 1 63 LYS H 1.800 . 4.300 4.237 4.160 4.312 0.012 17 0 "[ . 1 . 2]" 1
308 1 49 THR HA 1 64 ASN H 1.800 . 4.800 4.407 4.329 4.476 . 0 0 "[ . 1 . 2]" 1
309 1 49 THR HA 1 64 ASN HA 1.800 . 3.000 2.004 1.986 2.056 . 0 0 "[ . 1 . 2]" 1
310 1 49 THR HA 1 64 ASN HB2 1.800 . 4.300 4.086 3.965 4.193 . 0 0 "[ . 1 . 2]" 1
311 1 49 THR HA 1 64 ASN HB3 1.800 . 4.300 3.718 3.473 3.953 . 0 0 "[ . 1 . 2]" 1
312 1 49 THR HA 1 65 VAL H 1.800 . 3.300 3.134 2.950 3.257 . 0 0 "[ . 1 . 2]" 1
313 1 49 THR HB 1 51 LEU H 1.800 . 6.300 6.294 6.262 6.333 0.033 16 0 "[ . 1 . 2]" 1
314 1 50 VAL H 1 51 LEU H 1.800 . 4.800 4.480 4.431 4.490 . 0 0 "[ . 1 . 2]" 1
315 1 50 VAL H 1 63 LYS H 1.800 . 3.300 3.225 3.044 3.311 0.011 20 0 "[ . 1 . 2]" 1
316 1 50 VAL H 1 64 ASN H 1.800 . 5.300 5.292 5.193 5.316 0.016 11 0 "[ . 1 . 2]" 1
317 1 50 VAL H 1 64 ASN HA 1.800 . 3.800 3.644 3.599 3.704 . 0 0 "[ . 1 . 2]" 1
318 1 50 VAL H 1 64 ASN HB2 1.800 . 6.300 6.036 5.922 6.156 . 0 0 "[ . 1 . 2]" 1
319 1 50 VAL H 1 64 ASN HB3 1.800 . 5.800 5.539 5.400 5.658 . 0 0 "[ . 1 . 2]" 1
320 1 50 VAL H 1 65 VAL H 1.800 . 4.800 4.294 4.069 4.452 . 0 0 "[ . 1 . 2]" 1
321 1 50 VAL HA 1 51 LEU H 1.800 . 3.000 2.257 2.243 2.269 . 0 0 "[ . 1 . 2]" 1
322 1 50 VAL HA 1 51 LEU HA 1.800 . 4.800 4.438 4.433 4.441 . 0 0 "[ . 1 . 2]" 1
323 1 50 VAL HA 1 51 LEU HB2 1.800 . 4.300 4.140 4.033 4.313 0.013 15 0 "[ . 1 . 2]" 1
324 1 50 VAL HA 1 51 LEU HB3 1.800 . 5.300 4.799 4.540 4.964 . 0 0 "[ . 1 . 2]" 1
325 1 50 VAL HA 1 52 THR H 1.800 . 5.800 5.838 5.814 5.891 0.091 7 0 "[ . 1 . 2]" 1
326 1 51 LEU H 1 51 LEU HB3 1.800 . 3.300 2.948 2.770 3.072 . 0 0 "[ . 1 . 2]" 1
327 1 51 LEU H 1 52 THR H 1.800 . 4.300 4.060 4.033 4.117 . 0 0 "[ . 1 . 2]" 1
328 1 51 LEU H 1 62 TYR HA 1.800 . 5.300 5.156 4.843 5.293 . 0 0 "[ . 1 . 2]" 1
329 1 51 LEU HA 1 52 THR H 1.800 . 3.000 2.145 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
330 1 51 LEU HA 1 61 THR H 1.800 . 4.800 4.453 4.289 4.657 . 0 0 "[ . 1 . 2]" 1
331 1 51 LEU HA 1 62 TYR HA 1.800 . 3.300 3.067 2.780 3.171 . 0 0 "[ . 1 . 2]" 1
332 1 51 LEU HB3 1 61 THR H 1.800 . 6.500 6.474 6.287 6.532 0.032 8 0 "[ . 1 . 2]" 1
333 1 51 LEU HB3 1 62 TYR HA 1.800 . 5.300 4.997 4.641 5.185 . 0 0 "[ . 1 . 2]" 1
334 1 52 THR H 1 53 TYR H 1.800 . 4.800 4.493 4.480 4.507 . 0 0 "[ . 1 . 2]" 1
335 1 52 THR H 1 60 ALA H 1.800 . 6.500 6.538 6.519 6.567 0.067 19 0 "[ . 1 . 2]" 1
336 1 52 THR H 1 60 ALA HA 1.800 . 4.800 4.386 4.250 4.629 . 0 0 "[ . 1 . 2]" 1
337 1 52 THR H 1 61 THR H 1.800 . 4.300 3.648 3.444 3.986 . 0 0 "[ . 1 . 2]" 1
338 1 52 THR H 1 61 THR HA 1.800 . 5.800 5.730 5.648 5.813 0.013 11 0 "[ . 1 . 2]" 1
339 1 52 THR H 1 61 THR HB 1.800 . 5.800 5.412 5.053 5.793 . 0 0 "[ . 1 . 2]" 1
340 1 52 THR H 1 62 TYR H 1.800 . 6.300 6.255 6.187 6.318 0.018 16 0 "[ . 1 . 2]" 1
341 1 52 THR H 1 62 TYR HA 1.800 . 4.800 4.771 4.565 4.817 0.017 12 0 "[ . 1 . 2]" 1
342 1 52 THR H 1 63 LYS H 1.800 . 5.800 5.764 5.599 5.812 0.012 5 0 "[ . 1 . 2]" 1
343 1 52 THR HA 1 53 TYR H 1.800 . 3.300 2.700 2.681 2.716 . 0 0 "[ . 1 . 2]" 1
344 1 52 THR HB 1 53 TYR H 1.800 . 3.000 2.041 1.996 2.076 . 0 0 "[ . 1 . 2]" 1
345 1 53 TYR H 1 60 ALA HA 1.800 . 5.300 5.023 4.836 5.287 . 0 0 "[ . 1 . 2]" 1
346 1 53 TYR H 1 96 ALA H 1.800 . 6.500 6.604 6.551 6.668 0.168 9 0 "[ . 1 . 2]" 1
347 1 54 PRO HA 1 58 ASN HB3 1.800 . 5.300 5.301 5.095 5.352 0.052 11 0 "[ . 1 . 2]" 1
348 1 54 PRO HA 1 59 LYS HA 1.800 . 3.000 2.607 2.528 2.682 . 0 0 "[ . 1 . 2]" 1
349 1 54 PRO HA 1 59 LYS HB2 1.800 . 5.300 5.303 5.218 5.334 0.034 6 0 "[ . 1 . 2]" 1
350 1 54 PRO HA 1 60 ALA HA 1.800 . 4.300 4.034 3.885 4.261 . 0 0 "[ . 1 . 2]" 1
351 1 54 PRO HB2 1 55 GLY H 1.800 . 3.800 3.503 3.221 3.782 . 0 0 "[ . 1 . 2]" 1
352 1 54 PRO HB2 1 59 LYS HA 1.800 . 3.800 3.804 3.666 3.824 0.024 7 0 "[ . 1 . 2]" 1
353 1 54 PRO HB2 1 60 ALA H 1.800 . 4.300 4.292 4.193 4.338 0.038 15 0 "[ . 1 . 2]" 1
354 1 54 PRO HB3 1 55 GLY H 1.800 . 4.300 3.984 3.800 4.175 . 0 0 "[ . 1 . 2]" 1
355 1 54 PRO HB3 1 59 LYS HA 1.800 . 3.300 3.165 2.920 3.233 . 0 0 "[ . 1 . 2]" 1
356 1 54 PRO HB3 1 60 ALA H 1.800 . 3.300 2.851 2.764 2.934 . 0 0 "[ . 1 . 2]" 1
357 1 54 PRO HG2 1 55 GLY HA3 1.800 . 6.500 6.302 6.213 6.368 . 0 0 "[ . 1 . 2]" 1
358 1 55 GLY H 1 56 THR H 1.800 . 4.300 4.072 4.024 4.158 . 0 0 "[ . 1 . 2]" 1
359 1 55 GLY H 1 58 ASN H 1.800 . 4.300 4.124 4.053 4.268 . 0 0 "[ . 1 . 2]" 1
360 1 55 GLY H 1 58 ASN HB3 1.800 . 4.300 3.998 3.821 4.132 . 0 0 "[ . 1 . 2]" 1
361 1 55 GLY H 1 92 ALA H 1.800 . 6.500 6.515 6.492 6.539 0.039 20 0 "[ . 1 . 2]" 1
362 1 55 GLY HA3 1 58 ASN HB2 1.800 . 4.800 4.780 4.681 4.811 0.011 8 0 "[ . 1 . 2]" 1
363 1 55 GLY HA3 1 58 ASN HB3 1.800 . 4.300 4.299 4.265 4.313 0.013 19 0 "[ . 1 . 2]" 1
364 1 55 GLY HA3 1 91 GLN H 1.800 . 5.300 5.115 4.968 5.313 0.013 8 0 "[ . 1 . 2]" 1
365 1 55 GLY HA3 1 92 ALA H 1.800 . 4.800 4.434 4.314 4.543 . 0 0 "[ . 1 . 2]" 1
366 1 56 THR H 1 57 GLN H 1.800 . 3.000 2.130 2.093 2.158 . 0 0 "[ . 1 . 2]" 1
367 1 56 THR H 1 57 GLN HB2 1.800 . 4.300 4.304 4.175 4.338 0.038 16 0 "[ . 1 . 2]" 1
368 1 56 THR H 1 58 ASN H 1.800 . 3.300 3.271 3.149 3.389 0.089 8 0 "[ . 1 . 2]" 1
369 1 56 THR H 1 89 LEU H 1.800 . 6.300 6.276 6.107 6.344 0.044 10 0 "[ . 1 . 2]" 1
370 1 56 THR H 1 91 GLN H 1.800 . 4.300 4.233 4.074 4.332 0.032 8 0 "[ . 1 . 2]" 1
371 1 56 THR H 1 92 ALA H 1.800 . 4.800 4.757 4.614 4.817 0.017 3 0 "[ . 1 . 2]" 1
372 1 56 THR H 1 92 ALA HA 1.800 . 6.300 6.116 5.849 6.287 . 0 0 "[ . 1 . 2]" 1
373 1 56 THR HB 1 91 GLN H 1.800 . 4.300 3.945 3.608 4.197 . 0 0 "[ . 1 . 2]" 1
374 1 57 GLN H 1 58 ASN H 1.800 . 3.000 1.871 1.840 1.887 . 0 0 "[ . 1 . 2]" 1
375 1 57 GLN HB2 1 58 ASN H 1.800 . 3.300 3.177 3.057 3.302 0.002 9 0 "[ . 1 . 2]" 1
376 1 57 GLN HB3 1 58 ASN H 1.800 . 3.300 3.264 3.147 3.307 0.007 9 0 "[ . 1 . 2]" 1
377 1 58 ASN H 1 58 ASN HB2 1.800 . 3.000 2.371 2.331 2.433 . 0 0 "[ . 1 . 2]" 1
378 1 58 ASN H 1 58 ASN HB3 1.800 . 3.300 3.043 2.986 3.082 . 0 0 "[ . 1 . 2]" 1
379 1 58 ASN H 1 59 LYS H 1.800 . 4.800 4.542 4.518 4.564 . 0 0 "[ . 1 . 2]" 1
380 1 58 ASN HA 1 59 LYS H 1.800 . 3.000 2.233 2.229 2.234 . 0 0 "[ . 1 . 2]" 1
381 1 58 ASN HB2 1 59 LYS H 1.800 . 4.800 4.278 4.265 4.284 . 0 0 "[ . 1 . 2]" 1
382 1 58 ASN HB2 1 59 LYS HA 1.800 . 5.800 5.738 5.717 5.785 . 0 0 "[ . 1 . 2]" 1
383 1 58 ASN HB3 1 59 LYS HA 1.800 . 4.800 4.485 4.454 4.544 . 0 0 "[ . 1 . 2]" 1
384 1 59 LYS H 1 59 LYS HB2 1.800 . 3.000 2.516 2.370 2.713 . 0 0 "[ . 1 . 2]" 1
385 1 59 LYS HA 1 60 ALA H 1.800 . 3.000 2.322 2.259 2.353 . 0 0 "[ . 1 . 2]" 1
386 1 59 LYS HB2 1 60 ALA H 1.800 . 4.300 3.964 3.513 4.246 . 0 0 "[ . 1 . 2]" 1
387 1 59 LYS HB3 1 60 ALA H 1.800 . 3.300 3.114 2.616 3.314 0.014 11 0 "[ . 1 . 2]" 1
388 1 60 ALA H 1 61 THR H 1.800 . 4.800 4.600 4.571 4.606 . 0 0 "[ . 1 . 2]" 1
389 1 60 ALA HA 1 61 THR H 1.800 . 3.000 2.198 2.196 2.202 . 0 0 "[ . 1 . 2]" 1
390 1 61 THR H 1 61 THR HB 1.800 . 3.300 3.051 2.801 3.243 . 0 0 "[ . 1 . 2]" 1
391 1 61 THR H 1 62 TYR H 1.800 . 4.800 4.520 4.499 4.536 . 0 0 "[ . 1 . 2]" 1
392 1 61 THR H 1 62 TYR HA 1.800 . 5.300 5.035 4.980 5.074 . 0 0 "[ . 1 . 2]" 1
393 1 61 THR HA 1 62 TYR H 1.800 . 3.000 2.339 2.230 2.429 . 0 0 "[ . 1 . 2]" 1
394 1 61 THR HB 1 62 TYR H 1.800 . 3.800 3.189 2.760 3.711 . 0 0 "[ . 1 . 2]" 1
395 1 61 THR HB 1 63 LYS H 1.800 . 5.300 4.946 4.829 5.113 . 0 0 "[ . 1 . 2]" 1
396 1 62 TYR H 1 63 LYS H 1.800 . 4.300 4.313 4.302 4.326 0.026 15 0 "[ . 1 . 2]" 1
397 1 62 TYR HA 1 63 LYS H 1.800 . 3.000 2.139 2.137 2.144 . 0 0 "[ . 1 . 2]" 1
398 1 63 LYS H 1 64 ASN H 1.800 . 4.800 4.374 4.327 4.429 . 0 0 "[ . 1 . 2]" 1
399 1 64 ASN H 1 64 ASN HB3 1.800 . 3.300 2.891 2.780 3.056 . 0 0 "[ . 1 . 2]" 1
400 1 64 ASN HA 1 65 VAL H 1.800 . 3.000 2.144 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
401 1 64 ASN HB2 1 65 VAL H 1.800 . 3.800 3.393 3.245 3.469 . 0 0 "[ . 1 . 2]" 1
402 1 64 ASN HB3 1 65 VAL H 1.800 . 4.300 4.250 4.145 4.300 . 0 0 "[ . 1 . 2]" 1
403 1 65 VAL H 1 65 VAL HB 1.800 . 4.300 3.922 3.868 3.949 . 0 0 "[ . 1 . 2]" 1
404 1 65 VAL H 1 66 ASP H 1.800 . 4.800 4.360 4.305 4.389 . 0 0 "[ . 1 . 2]" 1
405 1 65 VAL H 1 66 ASP HA 1.800 . 5.300 4.925 4.848 5.007 . 0 0 "[ . 1 . 2]" 1
406 1 65 VAL HA 1 66 ASP H 1.800 . 3.000 2.287 2.215 2.345 . 0 0 "[ . 1 . 2]" 1
407 1 65 VAL HB 1 66 ASP H 1.800 . 3.300 2.687 2.518 2.914 . 0 0 "[ . 1 . 2]" 1
408 1 65 VAL HB 1 67 SER H 1.800 . 3.300 2.674 2.467 2.812 . 0 0 "[ . 1 . 2]" 1
409 1 66 ASP H 1 67 SER H 1.800 . 3.300 2.717 2.636 2.773 . 0 0 "[ . 1 . 2]" 1
410 1 66 ASP HA 1 67 SER H 1.800 . 3.800 3.498 3.480 3.521 . 0 0 "[ . 1 . 2]" 1
411 1 67 SER H 1 68 HIS HB2 1.800 . 4.300 3.600 3.492 3.680 . 0 0 "[ . 1 . 2]" 1
412 1 67 SER H 1 68 HIS HB3 1.800 . 5.300 5.072 4.918 5.160 . 0 0 "[ . 1 . 2]" 1
413 1 67 SER H 1 69 SER H 1.800 . 4.300 4.314 4.304 4.335 0.035 9 0 "[ . 1 . 2]" 1
414 1 67 SER HA 1 68 HIS H 1.800 . 3.800 3.530 3.521 3.542 . 0 0 "[ . 1 . 2]" 1
415 1 68 HIS H 1 68 HIS HA 1.800 . 3.000 2.275 2.274 2.276 . 0 0 "[ . 1 . 2]" 1
416 1 68 HIS H 1 68 HIS HB2 1.800 . 3.300 3.141 3.066 3.209 . 0 0 "[ . 1 . 2]" 1
417 1 68 HIS H 1 68 HIS HB3 1.800 . 4.300 4.023 3.945 4.077 . 0 0 "[ . 1 . 2]" 1
418 1 68 HIS H 1 69 SER H 1.800 . 3.000 2.614 2.601 2.685 . 0 0 "[ . 1 . 2]" 1
419 1 68 HIS H 1 69 SER HB3 1.800 . 5.300 4.806 4.512 5.213 . 0 0 "[ . 1 . 2]" 1
420 1 68 HIS HB2 1 69 SER H 1.800 . 4.300 4.191 4.039 4.314 0.014 16 0 "[ . 1 . 2]" 1
421 1 68 HIS HB2 1 70 SER H 1.800 . 5.800 5.469 5.387 5.627 . 0 0 "[ . 1 . 2]" 1
422 1 68 HIS HB2 1 72 ILE H 1.800 . 6.300 5.771 5.363 5.935 . 0 0 "[ . 1 . 2]" 1
423 1 68 HIS HB3 1 69 SER H 1.800 . 4.300 4.101 3.955 4.139 . 0 0 "[ . 1 . 2]" 1
424 1 68 HIS HB3 1 72 ILE H 1.800 . 4.300 4.181 3.709 4.321 0.021 15 0 "[ . 1 . 2]" 1
425 1 69 SER H 1 69 SER HB2 1.800 . 3.000 2.670 2.337 3.000 . 0 0 "[ . 1 . 2]" 1
426 1 69 SER H 1 70 SER H 1.800 . 3.000 2.609 2.517 2.685 . 0 0 "[ . 1 . 2]" 1
427 1 69 SER H 1 71 ALA H 1.800 . 4.300 4.155 4.059 4.262 . 0 0 "[ . 1 . 2]" 1
428 1 69 SER H 1 72 ILE H 1.800 . 5.300 4.791 4.684 4.925 . 0 0 "[ . 1 . 2]" 1
429 1 69 SER HA 1 70 SER H 1.800 . 3.800 3.416 3.339 3.454 . 0 0 "[ . 1 . 2]" 1
430 1 69 SER HA 1 71 ALA H 1.800 . 3.800 3.521 3.444 3.702 . 0 0 "[ . 1 . 2]" 1
431 1 69 SER HA 1 73 THR H 1.800 . 6.300 5.911 5.717 6.007 . 0 0 "[ . 1 . 2]" 1
432 1 69 SER HA 1 73 THR HA 1.800 . 5.300 5.300 5.075 5.352 0.052 9 0 "[ . 1 . 2]" 1
433 1 69 SER HB2 1 72 ILE H 1.800 . 5.800 5.365 5.153 5.574 . 0 0 "[ . 1 . 2]" 1
434 1 69 SER HB3 1 70 SER H 1.800 . 3.800 3.191 3.053 3.367 . 0 0 "[ . 1 . 2]" 1
435 1 70 SER H 1 71 ALA H 1.800 . 3.000 2.484 2.333 2.551 . 0 0 "[ . 1 . 2]" 1
436 1 70 SER H 1 72 ILE H 1.800 . 4.300 3.886 3.721 3.982 . 0 0 "[ . 1 . 2]" 1
437 1 70 SER HA 1 71 ALA H 1.800 . 3.800 3.331 3.297 3.356 . 0 0 "[ . 1 . 2]" 1
438 1 70 SER HA 1 72 ILE H 1.800 . 4.800 4.362 4.075 4.566 . 0 0 "[ . 1 . 2]" 1
439 1 71 ALA H 1 72 ILE H 1.800 . 3.000 1.893 1.871 1.906 . 0 0 "[ . 1 . 2]" 1
440 1 71 ALA H 1 72 ILE HA 1.800 . 4.800 4.663 4.619 4.677 . 0 0 "[ . 1 . 2]" 1
441 1 71 ALA HA 1 72 ILE H 1.800 . 3.800 3.432 3.307 3.476 . 0 0 "[ . 1 . 2]" 1
442 1 72 ILE H 1 73 THR H 1.800 . 4.800 4.444 4.352 4.499 . 0 0 "[ . 1 . 2]" 1
443 1 72 ILE HA 1 73 THR H 1.800 . 3.000 2.199 2.189 2.227 . 0 0 "[ . 1 . 2]" 1
444 1 72 ILE HB 1 73 THR H 1.800 . 3.300 2.983 2.878 3.033 . 0 0 "[ . 1 . 2]" 1
445 1 73 THR H 1 74 PHE HA 1.800 . 5.300 5.211 5.192 5.249 . 0 0 "[ . 1 . 2]" 1
446 1 73 THR H 1 74 PHE HB2 1.800 . 6.300 6.244 6.116 6.389 0.089 16 0 "[ . 1 . 2]" 1
447 1 73 THR H 1 75 PHE H 1.800 . 5.300 5.242 4.867 5.354 0.054 1 0 "[ . 1 . 2]" 1
448 1 74 PHE H 1 74 PHE HB2 1.800 . 3.300 2.666 2.379 2.916 . 0 0 "[ . 1 . 2]" 1
449 1 74 PHE H 1 74 PHE HB3 1.800 . 3.300 2.926 2.560 3.392 0.092 20 0 "[ . 1 . 2]" 1
450 1 74 PHE H 1 75 PHE HA 1.800 . 5.300 5.340 5.253 5.411 0.111 7 0 "[ . 1 . 2]" 1
451 1 74 PHE HA 1 75 PHE H 1.800 . 3.000 2.339 2.286 2.456 . 0 0 "[ . 1 . 2]" 1
452 1 74 PHE HB2 1 75 PHE H 1.800 . 4.800 4.655 4.633 4.666 . 0 0 "[ . 1 . 2]" 1
453 1 74 PHE HB3 1 75 PHE H 1.800 . 4.800 4.344 4.176 4.451 . 0 0 "[ . 1 . 2]" 1
454 1 77 PRO HA 1 78 SER H 1.800 . 3.300 2.449 2.214 2.718 . 0 0 "[ . 1 . 2]" 1
455 1 78 SER H 1 79 SER H 1.800 . 3.000 2.128 2.052 2.477 . 0 0 "[ . 1 . 2]" 1
456 1 78 SER H 1 80 GLU H 1.800 . 5.800 5.416 5.252 5.804 0.004 9 0 "[ . 1 . 2]" 1
457 1 79 SER H 1 80 GLU H 1.800 . 4.300 3.920 3.797 4.176 . 0 0 "[ . 1 . 2]" 1
458 1 79 SER H 1 82 ALA H 1.800 . 3.800 3.655 3.541 3.772 . 0 0 "[ . 1 . 2]" 1
459 1 79 SER H 1 83 VAL H 1.800 . 5.300 5.284 5.110 5.363 0.063 19 0 "[ . 1 . 2]" 1
460 1 79 SER HA 1 80 GLU H 1.800 . 3.800 3.550 3.492 3.565 . 0 0 "[ . 1 . 2]" 1
461 1 80 GLU H 1 81 LYS H 1.800 . 3.300 2.676 2.627 2.721 . 0 0 "[ . 1 . 2]" 1
462 1 80 GLU H 1 82 ALA H 1.800 . 4.300 3.957 3.838 4.066 . 0 0 "[ . 1 . 2]" 1
463 1 80 GLU H 1 83 VAL H 1.800 . 4.800 4.714 4.682 4.762 . 0 0 "[ . 1 . 2]" 1
464 1 80 GLU HA 1 81 LYS H 1.800 . 3.800 3.494 3.449 3.532 . 0 0 "[ . 1 . 2]" 1
465 1 80 GLU HA 1 82 ALA H 1.800 . 3.800 3.820 3.802 3.858 0.058 16 0 "[ . 1 . 2]" 1
466 1 80 GLU HA 1 83 VAL H 1.800 . 3.300 3.257 3.180 3.360 0.060 16 0 "[ . 1 . 2]" 1
467 1 81 LYS H 1 82 ALA H 1.800 . 3.300 2.447 2.376 2.509 . 0 0 "[ . 1 . 2]" 1
468 1 81 LYS H 1 83 VAL H 1.800 . 4.300 3.881 3.765 3.969 . 0 0 "[ . 1 . 2]" 1
469 1 81 LYS H 1 83 VAL HB 1.800 . 5.300 5.265 5.130 5.353 0.053 7 0 "[ . 1 . 2]" 1
470 1 81 LYS HA 1 82 ALA H 1.800 . 3.800 3.386 3.380 3.399 . 0 0 "[ . 1 . 2]" 1
471 1 81 LYS HA 1 83 VAL H 1.800 . 4.800 4.116 4.035 4.218 . 0 0 "[ . 1 . 2]" 1
472 1 82 ALA H 1 83 VAL H 1.800 . 3.000 2.079 2.014 2.143 . 0 0 "[ . 1 . 2]" 1
473 1 82 ALA H 1 83 VAL HA 1.800 . 4.800 4.701 4.598 4.810 0.010 16 0 "[ . 1 . 2]" 1
474 1 82 ALA H 1 83 VAL HB 1.800 . 4.300 4.260 4.117 4.350 0.050 17 0 "[ . 1 . 2]" 1
475 1 82 ALA H 1 84 THR H 1.800 . 6.500 6.469 6.405 6.524 0.024 19 0 "[ . 1 . 2]" 1
476 1 82 ALA HA 1 83 VAL H 1.800 . 3.800 3.403 3.400 3.410 . 0 0 "[ . 1 . 2]" 1
477 1 83 VAL H 1 83 VAL HB 1.800 . 3.000 2.459 2.431 2.485 . 0 0 "[ . 1 . 2]" 1
478 1 83 VAL H 1 84 THR H 1.800 . 4.800 4.555 4.505 4.612 . 0 0 "[ . 1 . 2]" 1
479 1 83 VAL H 1 85 ALA H 1.800 . 6.500 6.570 6.525 6.645 0.145 11 0 "[ . 1 . 2]" 1
480 1 83 VAL HA 1 84 THR H 1.800 . 3.000 2.167 2.155 2.225 . 0 0 "[ . 1 . 2]" 1
481 1 83 VAL HA 1 85 ALA H 1.800 . 4.300 4.260 4.059 4.352 0.052 9 0 "[ . 1 . 2]" 1
482 1 83 VAL HB 1 84 THR H 1.800 . 4.300 4.181 3.970 4.233 . 0 0 "[ . 1 . 2]" 1
483 1 83 VAL HB 1 85 ALA H 1.800 . 6.500 6.366 5.637 6.574 0.074 8 0 "[ . 1 . 2]" 1
484 1 84 THR H 1 84 THR HB 1.800 . 3.300 3.115 2.668 3.263 . 0 0 "[ . 1 . 2]" 1
485 1 84 THR H 1 85 ALA H 1.800 . 3.000 2.321 1.995 2.437 . 0 0 "[ . 1 . 2]" 1
486 1 84 THR H 1 86 ASN H 1.800 . 3.300 3.135 3.056 3.224 . 0 0 "[ . 1 . 2]" 1
487 1 84 THR HA 1 85 ALA H 1.800 . 3.800 3.568 3.546 3.572 . 0 0 "[ . 1 . 2]" 1
488 1 84 THR HB 1 85 ALA H 1.800 . 3.300 2.211 2.070 2.541 . 0 0 "[ . 1 . 2]" 1
489 1 85 ALA H 1 86 ASN H 1.800 . 3.000 1.894 1.830 2.066 . 0 0 "[ . 1 . 2]" 1
490 1 85 ALA H 1 86 ASN HB2 1.800 . 3.800 3.550 3.427 3.628 . 0 0 "[ . 1 . 2]" 1
491 1 85 ALA H 1 86 ASN HB3 1.800 . 5.300 5.005 4.957 5.062 . 0 0 "[ . 1 . 2]" 1
492 1 85 ALA H 1 87 GLU H 1.800 . 5.800 5.762 5.655 5.826 0.026 15 0 "[ . 1 . 2]" 1
493 1 85 ALA H 1 89 LEU HB3 1.800 . 5.300 5.120 4.914 5.292 . 0 0 "[ . 1 . 2]" 1
494 1 85 ALA HA 1 86 ASN H 1.800 . 3.300 2.878 2.774 2.920 . 0 0 "[ . 1 . 2]" 1
495 1 85 ALA HA 1 86 ASN HB2 1.800 . 5.300 5.217 5.101 5.303 0.003 5 0 "[ . 1 . 2]" 1
496 1 86 ASN H 1 86 ASN HB2 1.800 . 3.000 2.365 2.256 2.430 . 0 0 "[ . 1 . 2]" 1
497 1 86 ASN H 1 86 ASN HB3 1.800 . 3.800 3.602 3.532 3.653 . 0 0 "[ . 1 . 2]" 1
498 1 86 ASN H 1 87 GLU H 1.800 . 4.300 4.180 4.080 4.304 0.004 20 0 "[ . 1 . 2]" 1
499 1 86 ASN H 1 87 GLU HA 1.800 . 5.300 4.989 4.914 5.196 . 0 0 "[ . 1 . 2]" 1
500 1 86 ASN H 1 89 LEU H 1.800 . 5.300 5.005 4.816 5.103 . 0 0 "[ . 1 . 2]" 1
501 1 86 ASN H 1 89 LEU HB3 1.800 . 4.300 3.744 3.442 3.858 . 0 0 "[ . 1 . 2]" 1
502 1 86 ASN HA 1 87 GLU H 1.800 . 3.000 2.173 2.154 2.200 . 0 0 "[ . 1 . 2]" 1
503 1 86 ASN HA 1 88 ASP H 1.800 . 4.300 3.884 3.798 3.958 . 0 0 "[ . 1 . 2]" 1
504 1 86 ASN HA 1 89 LEU H 1.800 . 4.300 4.072 4.004 4.134 . 0 0 "[ . 1 . 2]" 1
505 1 86 ASN HA 1 90 LEU HB2 1.800 . 6.300 6.194 5.971 6.312 0.012 20 0 "[ . 1 . 2]" 1
506 1 86 ASN HB2 1 87 GLU H 1.800 . 4.800 4.526 4.488 4.563 . 0 0 "[ . 1 . 2]" 1
507 1 86 ASN HB2 1 90 LEU H 1.800 . 4.300 4.161 3.970 4.311 0.011 20 0 "[ . 1 . 2]" 1
508 1 86 ASN HB3 1 87 GLU H 1.800 . 4.300 3.808 3.719 3.910 . 0 0 "[ . 1 . 2]" 1
509 1 86 ASN O 1 90 LEU H 2.000 . 2.000 2.070 2.052 2.101 0.101 8 0 "[ . 1 . 2]" 1
510 1 86 ASN O 1 90 LEU N 3.000 3.000 3.000 2.934 2.909 2.957 0.091 4 0 "[ . 1 . 2]" 1
511 1 87 GLU H 1 88 ASP H 1.800 . 3.300 2.828 2.774 2.890 . 0 0 "[ . 1 . 2]" 1
512 1 87 GLU H 1 89 LEU H 1.800 . 4.300 4.185 4.154 4.223 . 0 0 "[ . 1 . 2]" 1
513 1 87 GLU H 1 89 LEU HB3 1.800 . 5.800 5.333 5.208 5.401 . 0 0 "[ . 1 . 2]" 1
514 1 87 GLU H 1 90 LEU H 1.800 . 5.300 4.816 4.760 4.855 . 0 0 "[ . 1 . 2]" 1
515 1 87 GLU H 1 90 LEU HB2 1.800 . 5.800 5.568 5.423 5.725 . 0 0 "[ . 1 . 2]" 1
516 1 87 GLU HA 1 90 LEU HB2 1.800 . 3.800 3.511 3.362 3.690 . 0 0 "[ . 1 . 2]" 1
517 1 87 GLU HA 1 90 LEU HB3 1.800 . 3.300 3.127 3.006 3.249 . 0 0 "[ . 1 . 2]" 1
518 1 87 GLU HA 1 90 LEU HG 1.800 . 5.300 5.280 5.164 5.352 0.052 8 0 "[ . 1 . 2]" 1
519 1 88 ASP H 1 88 ASP HB2 1.800 . 3.800 3.570 3.531 3.594 . 0 0 "[ . 1 . 2]" 1
520 1 88 ASP H 1 88 ASP HB3 1.800 . 3.000 2.742 2.466 2.888 . 0 0 "[ . 1 . 2]" 1
521 1 88 ASP H 1 89 LEU H 1.800 . 3.000 2.661 2.634 2.683 . 0 0 "[ . 1 . 2]" 1
522 1 88 ASP H 1 90 LEU H 1.800 . 4.300 4.083 4.022 4.146 . 0 0 "[ . 1 . 2]" 1
523 1 88 ASP H 1 90 LEU HB3 1.800 . 5.300 5.140 5.044 5.213 . 0 0 "[ . 1 . 2]" 1
524 1 88 ASP HA 1 89 LEU H 1.800 . 3.800 3.537 3.526 3.544 . 0 0 "[ . 1 . 2]" 1
525 1 88 ASP HA 1 91 GLN H 1.800 . 3.800 3.594 3.566 3.615 . 0 0 "[ . 1 . 2]" 1
526 1 88 ASP HA 1 92 ALA H 1.800 . 4.300 4.297 4.241 4.339 0.039 10 0 "[ . 1 . 2]" 1
527 1 88 ASP HB2 1 89 LEU H 1.800 . 3.800 3.518 3.430 3.805 0.005 20 0 "[ . 1 . 2]" 1
528 1 88 ASP HB2 1 92 ALA H 1.800 . 5.300 4.961 4.899 5.054 . 0 0 "[ . 1 . 2]" 1
529 1 88 ASP HB2 1 92 ALA HA 1.800 . 6.500 6.520 6.417 6.562 0.062 20 0 "[ . 1 . 2]" 1
530 1 88 ASP HB3 1 89 LEU H 1.800 . 4.300 3.993 3.848 4.107 . 0 0 "[ . 1 . 2]" 1
531 1 88 ASP O 1 92 ALA H 2.000 . 2.000 2.063 2.043 2.088 0.088 5 0 "[ . 1 . 2]" 1
532 1 88 ASP O 1 92 ALA N 3.000 3.000 3.000 2.999 2.981 3.029 0.029 8 0 "[ . 1 . 2]" 1
533 1 89 LEU H 1 89 LEU HB2 1.800 . 3.000 2.334 2.283 2.443 . 0 0 "[ . 1 . 2]" 1
534 1 89 LEU H 1 89 LEU HB3 1.800 . 3.300 2.687 2.564 2.745 . 0 0 "[ . 1 . 2]" 1
535 1 89 LEU H 1 90 LEU H 1.800 . 3.000 2.674 2.631 2.698 . 0 0 "[ . 1 . 2]" 1
536 1 89 LEU H 1 91 GLN H 1.800 . 4.800 4.514 4.452 4.557 . 0 0 "[ . 1 . 2]" 1
537 1 89 LEU H 1 92 ALA H 1.800 . 4.800 4.794 4.761 4.822 0.022 8 0 "[ . 1 . 2]" 1
538 1 89 LEU H 1 93 ILE H 1.800 . 6.300 6.072 5.993 6.131 . 0 0 "[ . 1 . 2]" 1
539 1 89 LEU HA 1 90 LEU H 1.800 . 3.800 3.509 3.500 3.523 . 0 0 "[ . 1 . 2]" 1
540 1 89 LEU HA 1 91 GLN H 1.800 . 4.800 4.579 4.512 4.602 . 0 0 "[ . 1 . 2]" 1
541 1 89 LEU HA 1 92 ALA H 1.800 . 3.800 3.395 3.344 3.445 . 0 0 "[ . 1 . 2]" 1
542 1 89 LEU HA 1 92 ALA HA 1.800 . 5.300 5.168 5.107 5.229 . 0 0 "[ . 1 . 2]" 1
543 1 89 LEU HA 1 93 ILE H 1.800 . 4.300 4.012 3.931 4.104 . 0 0 "[ . 1 . 2]" 1
544 1 89 LEU HA 1 93 ILE HB 1.800 . 5.800 5.771 5.605 5.834 0.034 3 0 "[ . 1 . 2]" 1
545 1 89 LEU HB2 1 92 ALA H 1.800 . 5.800 5.696 5.656 5.748 . 0 0 "[ . 1 . 2]" 1
546 1 89 LEU HB3 1 90 LEU HB2 1.800 . 4.800 4.430 4.391 4.475 . 0 0 "[ . 1 . 2]" 1
547 1 89 LEU HB3 1 92 ALA H 1.800 . 5.800 5.470 5.420 5.546 . 0 0 "[ . 1 . 2]" 1
548 1 89 LEU HB3 1 93 ILE H 1.800 . 5.800 5.473 5.408 5.593 . 0 0 "[ . 1 . 2]" 1
549 1 89 LEU HG 1 90 LEU HA 1.800 . 4.300 4.240 3.988 4.348 0.048 17 0 "[ . 1 . 2]" 1
550 1 89 LEU O 1 93 ILE H 2.000 . 2.000 1.998 1.973 2.015 0.027 5 0 "[ . 1 . 2]" 1
551 1 89 LEU O 1 93 ILE N 3.000 3.000 3.000 2.890 2.867 2.904 0.133 19 0 "[ . 1 . 2]" 1
552 1 90 LEU H 1 90 LEU HB2 1.800 . 3.000 2.590 2.522 2.682 . 0 0 "[ . 1 . 2]" 1
553 1 90 LEU H 1 90 LEU HB3 1.800 . 3.000 2.419 2.336 2.483 . 0 0 "[ . 1 . 2]" 1
554 1 90 LEU H 1 91 GLN H 1.800 . 3.300 2.804 2.768 2.835 . 0 0 "[ . 1 . 2]" 1
555 1 90 LEU H 1 92 ALA H 1.800 . 4.300 4.023 3.980 4.056 . 0 0 "[ . 1 . 2]" 1
556 1 90 LEU HB3 1 91 GLN H 1.800 . 3.000 2.411 2.361 2.468 . 0 0 "[ . 1 . 2]" 1
557 1 90 LEU HG 1 91 GLN H 1.800 . 3.800 3.375 3.154 3.532 . 0 0 "[ . 1 . 2]" 1
558 1 90 LEU O 1 94 ARG H 2.500 2.500 2.500 2.604 2.583 2.646 0.146 8 0 "[ . 1 . 2]" 1
559 1 90 LEU O 1 94 ARG N 3.500 3.500 3.500 3.476 3.453 3.518 0.047 19 0 "[ . 1 . 2]" 1
560 1 91 GLN H 1 93 ILE H 1.800 . 4.300 4.174 4.139 4.199 . 0 0 "[ . 1 . 2]" 1
561 1 91 GLN HA 1 92 ALA H 1.800 . 3.800 3.523 3.518 3.530 . 0 0 "[ . 1 . 2]" 1
562 1 92 ALA H 1 93 ILE H 1.800 . 3.300 2.676 2.666 2.692 . 0 0 "[ . 1 . 2]" 1
563 1 92 ALA O 1 96 ALA H 2.000 . 2.000 2.052 2.025 2.074 0.074 19 0 "[ . 1 . 2]" 1
564 1 92 ALA O 1 96 ALA N 3.000 3.000 3.000 3.013 2.967 3.034 0.034 19 0 "[ . 1 . 2]" 1
565 1 93 ILE H 1 93 ILE HB 1.800 . 3.000 2.431 2.331 2.469 . 0 0 "[ . 1 . 2]" 1
566 1 93 ILE H 1 94 ARG H 1.800 . 3.300 2.693 2.675 2.703 . 0 0 "[ . 1 . 2]" 1
567 1 93 ILE HA 1 94 ARG H 1.800 . 3.800 3.523 3.521 3.527 . 0 0 "[ . 1 . 2]" 1
568 1 93 ILE HA 1 97 GLU H 1.800 . 4.300 4.365 4.305 4.397 0.097 12 0 "[ . 1 . 2]" 1
569 1 93 ILE O 1 97 GLU H 2.500 2.500 2.500 2.451 2.435 2.467 0.065 19 0 "[ . 1 . 2]" 1
570 1 93 ILE O 1 97 GLU N 3.500 3.500 3.500 3.259 3.216 3.282 0.284 8 0 "[ . 1 . 2]" 1
571 1 94 ARG H 1 95 ASN H 1.800 . 3.300 2.678 2.641 2.704 . 0 0 "[ . 1 . 2]" 1
572 1 94 ARG H 1 95 ASN HA 1.800 . 5.800 5.275 5.248 5.295 . 0 0 "[ . 1 . 2]" 1
573 1 94 ARG H 1 97 GLU HB3 1.800 . 5.300 5.161 4.999 5.260 . 0 0 "[ . 1 . 2]" 1
574 1 94 ARG HA 1 95 ASN H 1.800 . 3.800 3.555 3.550 3.561 . 0 0 "[ . 1 . 2]" 1
575 1 94 ARG HA 1 96 ALA H 1.800 . 5.300 4.969 4.914 5.077 . 0 0 "[ . 1 . 2]" 1
576 1 94 ARG HA 1 97 GLU H 1.800 . 3.800 3.688 3.673 3.712 . 0 0 "[ . 1 . 2]" 1
577 1 94 ARG O 1 98 GLU H 2.000 . 2.000 2.099 2.087 2.129 0.129 9 0 "[ . 1 . 2]" 1
578 1 94 ARG O 1 98 GLU N 3.000 3.000 3.000 3.003 2.985 3.042 0.042 9 0 "[ . 1 . 2]" 1
579 1 95 ASN H 1 96 ALA H 1.800 . 3.300 2.911 2.890 2.938 . 0 0 "[ . 1 . 2]" 1
580 1 95 ASN H 1 97 GLU HB3 1.800 . 5.300 4.953 4.812 5.026 . 0 0 "[ . 1 . 2]" 1
581 1 95 ASN HA 1 96 ALA H 1.800 . 3.800 3.570 3.569 3.572 . 0 0 "[ . 1 . 2]" 1
582 1 96 ALA H 1 97 GLU H 1.800 . 3.300 2.838 2.813 2.852 . 0 0 "[ . 1 . 2]" 1
583 1 96 ALA H 1 97 GLU HA 1.800 . 5.800 5.412 5.389 5.426 . 0 0 "[ . 1 . 2]" 1
584 1 96 ALA H 1 98 GLU HG2 1.800 . 5.300 5.180 5.155 5.226 . 0 0 "[ . 1 . 2]" 1
585 1 96 ALA H 1 99 ASP H 1.800 . 4.800 4.752 4.718 4.819 0.019 19 0 "[ . 1 . 2]" 1
586 1 96 ALA HA 1 99 ASP H 1.800 . 3.800 3.544 3.508 3.564 . 0 0 "[ . 1 . 2]" 1
587 1 97 GLU H 1 97 GLU HB3 1.800 . 3.000 2.342 2.328 2.354 . 0 0 "[ . 1 . 2]" 1
588 1 97 GLU H 1 98 GLU H 1.800 . 3.300 2.571 2.556 2.586 . 0 0 "[ . 1 . 2]" 1
589 1 97 GLU H 1 99 ASP H 1.800 . 4.300 3.906 3.873 3.930 . 0 0 "[ . 1 . 2]" 1
590 1 97 GLU HA 1 98 GLU HB3 1.800 . 5.800 5.605 5.600 5.611 . 0 0 "[ . 1 . 2]" 1
591 1 97 GLU HA 1 98 GLU HG2 1.800 . 6.300 6.021 5.981 6.044 . 0 0 "[ . 1 . 2]" 1
592 1 97 GLU HA 1 100 LYS H 1.800 . 6.500 6.610 6.579 6.660 0.160 12 0 "[ . 1 . 2]" 1
593 1 97 GLU HB3 1 98 GLU H 1.800 . 3.300 2.627 2.587 2.666 . 0 0 "[ . 1 . 2]" 1
594 1 97 GLU HB3 1 99 ASP H 1.800 . 5.300 4.923 4.886 4.959 . 0 0 "[ . 1 . 2]" 1
595 1 98 GLU H 1 98 GLU HB2 1.800 . 3.800 3.485 3.477 3.499 . 0 0 "[ . 1 . 2]" 1
596 1 98 GLU H 1 99 ASP H 1.800 . 3.000 2.554 2.544 2.562 . 0 0 "[ . 1 . 2]" 1
597 1 98 GLU H 1 100 LYS H 1.800 . 6.300 6.200 6.184 6.228 . 0 0 "[ . 1 . 2]" 1
598 1 98 GLU HA 1 99 ASP H 1.800 . 3.800 3.505 3.495 3.516 . 0 0 "[ . 1 . 2]" 1
599 1 98 GLU HB2 1 99 ASP H 1.800 . 4.300 4.144 4.102 4.174 . 0 0 "[ . 1 . 2]" 1
600 1 98 GLU HG3 1 99 ASP H 1.800 . 3.300 3.257 3.131 3.313 0.013 12 0 "[ . 1 . 2]" 1
601 1 98 GLU HG3 1 99 ASP HA 1.800 . 3.800 3.347 3.301 3.375 . 0 0 "[ . 1 . 2]" 1
602 1 98 GLU HG3 1 100 LYS H 1.800 . 5.300 4.977 4.950 5.002 . 0 0 "[ . 1 . 2]" 1
603 1 99 ASP H 1 100 LYS H 1.800 . 4.300 4.221 4.217 4.235 . 0 0 "[ . 1 . 2]" 1
604 1 99 ASP H 1 101 GLU H 1.800 . 6.300 6.110 5.877 6.283 . 0 0 "[ . 1 . 2]" 1
605 1 99 ASP H 1 103 ASN HA 1.800 . 6.300 6.124 5.430 6.343 0.043 8 0 "[ . 1 . 2]" 1
606 1 99 ASP HA 1 100 LYS H 1.800 . 3.000 2.189 2.184 2.191 . 0 0 "[ . 1 . 2]" 1
607 1 99 ASP HA 1 100 LYS HB2 1.800 . 4.800 4.550 4.387 4.751 . 0 0 "[ . 1 . 2]" 1
608 1 99 ASP HA 1 100 LYS HE2 1.800 . 6.500 6.324 5.370 6.612 0.112 15 0 "[ . 1 . 2]" 1
609 1 99 ASP HA 1 100 LYS HG3 1.800 . 5.300 4.825 4.229 5.309 0.009 3 0 "[ . 1 . 2]" 1
610 1 99 ASP HA 1 102 SER H 1.800 . 4.300 4.121 3.991 4.233 . 0 0 "[ . 1 . 2]" 1
611 1 99 ASP HA 1 102 SER HB3 1.800 . 6.500 6.386 5.794 6.551 0.051 11 0 "[ . 1 . 2]" 1
612 1 100 LYS H 1 101 GLU H 1.800 . 3.300 2.773 2.526 3.091 . 0 0 "[ . 1 . 2]" 1
613 1 100 LYS H 1 101 GLU HA 1.800 . 4.800 4.576 4.437 4.802 0.002 16 0 "[ . 1 . 2]" 1
614 1 100 LYS H 1 101 GLU HB3 1.800 . 5.800 5.543 5.354 5.815 0.015 11 0 "[ . 1 . 2]" 1
615 1 100 LYS H 1 102 SER H 1.800 . 3.300 2.597 2.487 2.730 . 0 0 "[ . 1 . 2]" 1
616 1 100 LYS H 1 103 ASN HA 1.800 . 4.300 4.081 3.629 4.332 0.032 8 0 "[ . 1 . 2]" 1
617 1 100 LYS HA 1 102 SER H 1.800 . 4.300 4.261 4.177 4.316 0.016 3 0 "[ . 1 . 2]" 1
618 1 101 GLU H 1 101 GLU HA 1.800 . 3.000 2.277 2.274 2.280 . 0 0 "[ . 1 . 2]" 1
619 1 101 GLU H 1 101 GLU HB2 1.800 . 3.300 3.042 2.956 3.140 . 0 0 "[ . 1 . 2]" 1
620 1 101 GLU H 1 102 SER H 1.800 . 3.300 2.684 2.593 2.771 . 0 0 "[ . 1 . 2]" 1
621 1 101 GLU H 1 102 SER HB2 1.800 . 5.300 5.288 5.125 5.330 0.030 19 0 "[ . 1 . 2]" 1
622 1 101 GLU H 1 102 SER HB3 1.800 . 5.800 5.524 5.366 5.642 . 0 0 "[ . 1 . 2]" 1
623 1 101 GLU H 1 103 ASN H 1.800 . 4.300 4.247 3.785 4.334 0.034 18 0 "[ . 1 . 2]" 1
624 1 101 GLU H 1 103 ASN HA 1.800 . 6.300 6.034 5.815 6.257 . 0 0 "[ . 1 . 2]" 1
625 1 101 GLU HA 1 102 SER H 1.800 . 3.300 2.991 2.895 3.100 . 0 0 "[ . 1 . 2]" 1
626 1 101 GLU HB2 1 102 SER H 1.800 . 4.800 4.401 4.173 4.500 . 0 0 "[ . 1 . 2]" 1
627 1 101 GLU HB2 1 102 SER HB3 1.800 . 6.300 6.212 5.723 6.331 0.031 19 0 "[ . 1 . 2]" 1
628 1 102 SER H 1 102 SER HB2 1.800 . 3.300 3.279 3.001 3.336 0.036 16 0 "[ . 1 . 2]" 1
629 1 102 SER H 1 102 SER HB3 1.800 . 3.300 3.211 2.974 3.331 0.031 16 0 "[ . 1 . 2]" 1
630 1 102 SER H 1 103 ASN H 1.800 . 3.000 2.226 1.892 2.631 . 0 0 "[ . 1 . 2]" 1
631 1 102 SER H 1 104 ALA H 1.800 . 6.300 6.126 5.969 6.292 . 0 0 "[ . 1 . 2]" 1
632 1 102 SER HB2 1 103 ASN H 1.800 . 4.800 4.581 4.491 4.624 . 0 0 "[ . 1 . 2]" 1
633 1 102 SER HB3 1 103 ASN H 1.800 . 4.300 4.215 4.000 4.283 . 0 0 "[ . 1 . 2]" 1
634 1 102 SER HB3 1 104 ALA H 1.800 . 6.300 6.127 5.818 6.306 0.006 8 0 "[ . 1 . 2]" 1
635 1 102 SER HB3 1 106 ARG H 1.800 . 5.300 4.985 4.318 5.300 0.000 11 0 "[ . 1 . 2]" 1
636 1 103 ASN H 1 103 ASN HB2 1.800 . 3.000 2.514 2.070 2.969 . 0 0 "[ . 1 . 2]" 1
637 1 103 ASN H 1 104 ALA H 1.800 . 4.800 4.590 4.548 4.631 . 0 0 "[ . 1 . 2]" 1
638 1 103 ASN H 1 104 ALA HA 1.800 . 6.500 6.346 6.231 6.422 . 0 0 "[ . 1 . 2]" 1
639 1 103 ASN HA 1 104 ALA H 1.800 . 3.000 2.205 2.164 2.260 . 0 0 "[ . 1 . 2]" 1
640 1 103 ASN HB2 1 104 ALA H 1.800 . 4.800 4.139 3.638 4.336 . 0 0 "[ . 1 . 2]" 1
641 1 103 ASN HB3 1 104 ALA H 1.800 . 4.300 3.907 3.331 4.287 . 0 0 "[ . 1 . 2]" 1
642 1 104 ALA H 1 104 ALA HA 1.800 . 3.000 2.277 2.275 2.280 . 0 0 "[ . 1 . 2]" 1
643 1 104 ALA H 1 105 LEU H 1.800 . 3.300 2.657 2.613 2.762 . 0 0 "[ . 1 . 2]" 1
644 1 104 ALA HA 1 105 LEU H 1.800 . 3.300 2.975 2.939 3.024 . 0 0 "[ . 1 . 2]" 1
645 1 106 ARG H 1 107 PHE H 1.800 . 3.800 2.586 1.934 3.771 . 0 0 "[ . 1 . 2]" 1
646 1 107 PHE H 1 107 PHE HB2 1.800 . 3.300 2.452 2.081 3.029 . 0 0 "[ . 1 . 2]" 1
647 1 107 PHE H 1 107 PHE HB3 1.800 . 3.800 3.465 2.985 3.833 0.033 8 0 "[ . 1 . 2]" 1
648 1 107 PHE H 1 108 GLU H 1.800 . 4.800 4.257 2.056 4.615 . 0 0 "[ . 1 . 2]" 1
649 1 107 PHE HA 1 108 GLU H 1.800 . 3.300 2.624 2.285 3.400 0.100 11 0 "[ . 1 . 2]" 1
650 1 107 PHE HB2 1 108 GLU H 1.800 . 3.800 3.689 3.320 3.811 0.011 8 0 "[ . 1 . 2]" 1
651 1 107 PHE HB3 1 108 GLU H 1.800 . 3.300 2.442 1.968 3.317 0.017 6 0 "[ . 1 . 2]" 1
652 1 109 PRO HA 1 110 THR H 1.800 . 3.300 2.680 2.541 3.485 0.185 6 0 "[ . 1 . 2]" 1
653 1 109 PRO HB2 1 110 THR H 1.800 . 3.000 2.146 1.924 2.278 . 0 0 "[ . 1 . 2]" 1
654 1 109 PRO HB3 1 110 THR H 1.800 . 3.300 3.259 3.211 3.363 0.063 6 0 "[ . 1 . 2]" 1
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