NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
445457 |
2kjw   |
16345 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kjw
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 770
_Distance_constraint_stats_list.Viol_count 2705
_Distance_constraint_stats_list.Viol_total 4965.052
_Distance_constraint_stats_list.Viol_max 0.350
_Distance_constraint_stats_list.Viol_rms 0.0469
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0161
_Distance_constraint_stats_list.Viol_average_violations_only 0.0918
_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 MET 0.017 0.017 14 0 "[ . 1 . 2]"
1 2 ASP 1.401 0.206 16 0 "[ . 1 . 2]"
1 3 PRO 1.915 0.259 14 0 "[ . 1 . 2]"
1 4 GLN 3.153 0.206 16 0 "[ . 1 . 2]"
1 5 GLY 3.166 0.207 9 0 "[ . 1 . 2]"
1 6 TYR 2.771 0.259 14 0 "[ . 1 . 2]"
1 7 PHE 7.536 0.285 11 0 "[ . 1 . 2]"
1 8 LEU 6.844 0.264 16 0 "[ . 1 . 2]"
1 9 TRP 0.268 0.044 12 0 "[ . 1 . 2]"
1 10 TYR 0.183 0.060 14 0 "[ . 1 . 2]"
1 11 GLN 5.672 0.270 2 0 "[ . 1 . 2]"
1 12 VAL 7.008 0.232 6 0 "[ . 1 . 2]"
1 13 GLU 5.754 0.232 6 0 "[ . 1 . 2]"
1 14 MET 2.159 0.134 17 0 "[ . 1 . 2]"
1 15 PRO 11.447 0.342 7 0 "[ . 1 . 2]"
1 16 GLU 11.534 0.342 7 0 "[ . 1 . 2]"
1 17 ASP 12.162 0.310 4 0 "[ . 1 . 2]"
1 18 ARG 2.811 0.170 20 0 "[ . 1 . 2]"
1 19 VAL 3.503 0.170 20 0 "[ . 1 . 2]"
1 20 ASN 1.032 0.166 10 0 "[ . 1 . 2]"
1 21 ASP 5.283 0.165 9 0 "[ . 1 . 2]"
1 22 LEU 5.405 0.144 15 0 "[ . 1 . 2]"
1 23 ALA 4.702 0.144 15 0 "[ . 1 . 2]"
1 24 ARG 4.304 0.171 9 0 "[ . 1 . 2]"
1 25 GLU 3.697 0.166 2 0 "[ . 1 . 2]"
1 26 LEU 0.913 0.114 7 0 "[ . 1 . 2]"
1 27 ARG 3.115 0.134 16 0 "[ . 1 . 2]"
1 28 ILE 6.143 0.350 18 0 "[ . 1 . 2]"
1 29 ARG 1.416 0.153 12 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 0.372 0.135 14 0 "[ . 1 . 2]"
1 32 VAL 2.707 0.101 16 0 "[ . 1 . 2]"
1 33 ARG 0.984 0.104 7 0 "[ . 1 . 2]"
1 34 ARG 0.764 0.137 12 0 "[ . 1 . 2]"
1 35 VAL 2.096 0.315 10 0 "[ . 1 . 2]"
1 36 MET 5.473 0.266 11 0 "[ . 1 . 2]"
1 37 VAL 0.309 0.047 12 0 "[ . 1 . 2]"
1 38 VAL 0.812 0.135 17 0 "[ . 1 . 2]"
1 39 ALA 1.450 0.135 17 0 "[ . 1 . 2]"
1 40 SER 2.397 0.099 18 0 "[ . 1 . 2]"
1 41 THR 0.229 0.054 8 0 "[ . 1 . 2]"
1 42 THR 1.889 0.131 8 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 7.774 0.258 15 0 "[ . 1 . 2]"
1 45 ARG 3.597 0.255 20 0 "[ . 1 . 2]"
1 46 TYR 11.948 0.283 11 0 "[ . 1 . 2]"
1 47 GLU 6.634 0.283 11 0 "[ . 1 . 2]"
1 48 VAL 0.327 0.096 15 0 "[ . 1 . 2]"
1 49 ASN 5.776 0.315 11 0 "[ . 1 . 2]"
1 50 ILE 9.472 0.315 10 0 "[ . 1 . 2]"
1 51 VAL 2.415 0.230 16 0 "[ . 1 . 2]"
1 52 LEU 2.565 0.200 14 0 "[ . 1 . 2]"
1 53 ASN 1.109 0.126 16 0 "[ . 1 . 2]"
1 55 ASN 0.529 0.082 10 0 "[ . 1 . 2]"
1 56 LEU 7.280 0.234 14 0 "[ . 1 . 2]"
1 57 ASP 5.192 0.215 19 0 "[ . 1 . 2]"
1 58 GLN 5.912 0.189 17 0 "[ . 1 . 2]"
1 59 SER 4.725 0.189 17 0 "[ . 1 . 2]"
1 60 GLN 2.768 0.106 12 0 "[ . 1 . 2]"
1 61 LEU 5.560 0.272 5 0 "[ . 1 . 2]"
1 62 ALA 4.598 0.123 18 0 "[ . 1 . 2]"
1 63 LEU 12.496 0.231 7 0 "[ . 1 . 2]"
1 64 GLU 2.589 0.231 7 0 "[ . 1 . 2]"
1 65 LYS 10.196 0.297 15 0 "[ . 1 . 2]"
1 66 GLU 5.784 0.212 16 0 "[ . 1 . 2]"
1 67 ILE 11.710 0.297 15 0 "[ . 1 . 2]"
1 68 ILE 3.906 0.195 20 0 "[ . 1 . 2]"
1 69 GLN 0.046 0.036 16 0 "[ . 1 . 2]"
1 70 ARG 5.289 0.159 11 0 "[ . 1 . 2]"
1 71 ALA 6.275 0.176 6 0 "[ . 1 . 2]"
1 72 LEU 3.744 0.154 15 0 "[ . 1 . 2]"
1 73 GLU 12.283 0.293 20 0 "[ . 1 . 2]"
1 74 ASN 4.187 0.244 2 0 "[ . 1 . 2]"
1 75 TYR 12.005 0.293 20 0 "[ . 1 . 2]"
1 76 GLY 5.025 0.257 11 0 "[ . 1 . 2]"
1 77 ALA 2.005 0.088 9 0 "[ . 1 . 2]"
1 78 ARG 0.630 0.131 20 0 "[ . 1 . 2]"
1 79 VAL 3.418 0.191 5 0 "[ . 1 . 2]"
1 80 GLU 1.756 0.100 16 0 "[ . 1 . 2]"
1 81 LYS 8.841 0.198 2 0 "[ . 1 . 2]"
1 82 VAL 0.523 0.110 4 0 "[ . 1 . 2]"
1 83 GLU 0.146 0.077 16 0 "[ . 1 . 2]"
1 84 GLU 6.195 0.256 4 0 "[ . 1 . 2]"
1 85 LEU 0.658 0.156 20 0 "[ . 1 . 2]"
1 86 GLY 0.721 0.285 11 0 "[ . 1 . 2]"
1 87 LEU 3.641 0.255 17 0 "[ . 1 . 2]"
1 88 ARG 6.647 0.269 18 0 "[ . 1 . 2]"
1 89 ARG 2.796 0.264 19 0 "[ . 1 . 2]"
1 90 LEU 3.002 0.264 19 0 "[ . 1 . 2]"
1 91 ALA 0.097 0.049 19 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 MET QB 1 2 ASP H 2.250 . 2.700 2.074 1.810 2.717 0.017 14 0 "[ . 1 . 2]" 1
2 1 2 ASP H 1 2 ASP HB3 2.250 . 2.700 2.493 1.984 2.729 0.029 7 0 "[ . 1 . 2]" 1
3 1 2 ASP HA 1 4 GLN H 2.700 . 3.600 3.664 3.611 3.806 0.206 16 0 "[ . 1 . 2]" 1
4 1 3 PRO QD 1 5 GLY H 3.900 . 6.000 5.894 4.355 6.128 0.128 13 0 "[ . 1 . 2]" 1
5 1 3 PRO QD 1 6 TYR H 3.900 . 6.000 5.747 5.061 6.259 0.259 14 0 "[ . 1 . 2]" 1
6 1 3 PRO QG 1 4 GLN HE21 3.900 . 6.000 5.179 3.152 6.075 0.075 8 0 "[ . 1 . 2]" 1
7 1 3 PRO QG 1 4 GLN HE22 3.900 . 6.000 5.270 3.070 6.015 0.015 10 0 "[ . 1 . 2]" 1
8 1 4 GLN H 1 4 GLN HB3 2.700 . 3.600 3.325 2.220 3.721 0.121 20 0 "[ . 1 . 2]" 1
9 1 4 GLN H 1 4 GLN QG 2.700 . 3.600 2.718 1.816 3.721 0.121 16 0 "[ . 1 . 2]" 1
10 1 4 GLN H 1 5 GLY H 3.900 . 6.000 4.158 3.271 4.647 . 0 0 "[ . 1 . 2]" 1
11 1 4 GLN HA 1 5 GLY H 2.700 . 3.600 2.839 2.204 3.640 0.040 9 0 "[ . 1 . 2]" 1
12 1 4 GLN HA 1 90 LEU H 2.700 . 3.600 3.567 3.210 3.730 0.130 19 0 "[ . 1 . 2]" 1
13 1 4 GLN HB2 1 5 GLY H 2.700 . 3.600 2.554 1.838 3.668 0.068 5 0 "[ . 1 . 2]" 1
14 1 4 GLN HB2 1 88 ARG H 3.900 . 6.000 4.905 2.953 6.126 0.126 19 0 "[ . 1 . 2]" 1
15 1 4 GLN HB3 1 5 GLY H 3.900 . 6.000 3.398 1.782 4.477 0.018 10 0 "[ . 1 . 2]" 1
16 1 4 GLN HE21 1 56 LEU HG 3.900 . 6.000 5.392 1.852 6.153 0.153 19 0 "[ . 1 . 2]" 1
17 1 5 GLY H 1 51 VAL MG2 3.900 . 6.000 5.207 4.458 6.048 0.048 5 0 "[ . 1 . 2]" 1
18 1 5 GLY H 1 56 LEU H 2.700 . 3.600 3.639 3.219 3.807 0.207 9 0 "[ . 1 . 2]" 1
19 1 5 GLY H 1 88 ARG H 2.700 . 3.600 3.530 2.823 3.716 0.116 13 0 "[ . 1 . 2]" 1
20 1 5 GLY H 1 88 ARG QG 3.900 . 6.000 5.080 1.973 6.016 0.016 6 0 "[ . 1 . 2]" 1
21 1 5 GLY HA2 1 6 TYR H 3.900 . 6.000 3.050 2.158 3.605 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLY HA2 1 88 ARG H 3.900 . 6.000 3.984 1.853 5.490 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLY HA3 1 6 TYR H 2.700 . 3.600 3.146 2.379 3.613 0.013 1 0 "[ . 1 . 2]" 1
24 1 6 TYR H 1 6 TYR HB3 2.700 . 3.600 2.384 2.044 3.202 . 0 0 "[ . 1 . 2]" 1
25 1 6 TYR H 1 51 VAL MG2 2.700 . 3.600 3.282 2.200 3.695 0.095 18 0 "[ . 1 . 2]" 1
26 1 6 TYR H 1 52 LEU H 2.700 . 3.600 3.642 3.198 3.800 0.200 14 0 "[ . 1 . 2]" 1
27 1 6 TYR H 1 52 LEU HB2 3.900 . 6.000 4.492 3.134 5.526 . 0 0 "[ . 1 . 2]" 1
28 1 6 TYR HB2 1 7 PHE H 3.900 . 6.000 4.158 3.067 4.620 . 0 0 "[ . 1 . 2]" 1
29 1 6 TYR HB2 1 52 LEU H 3.900 . 6.000 3.205 1.895 5.772 . 0 0 "[ . 1 . 2]" 1
30 1 6 TYR HB3 1 52 LEU H 3.900 . 6.000 3.431 1.789 5.534 0.011 15 0 "[ . 1 . 2]" 1
31 1 7 PHE H 1 7 PHE HA 2.250 . 2.700 2.912 2.879 2.953 0.253 20 0 "[ . 1 . 2]" 1
32 1 7 PHE H 1 7 PHE HB2 2.700 . 3.600 2.852 2.071 3.810 0.210 12 0 "[ . 1 . 2]" 1
33 1 7 PHE H 1 8 LEU H 3.900 . 6.000 2.726 1.838 4.474 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE H 1 8 LEU HA 3.900 . 6.000 4.497 4.185 5.170 . 0 0 "[ . 1 . 2]" 1
35 1 7 PHE H 1 56 LEU HB2 3.900 . 6.000 6.040 5.705 6.199 0.199 18 0 "[ . 1 . 2]" 1
36 1 7 PHE H 1 84 GLU HA 3.900 . 6.000 6.025 5.208 6.137 0.137 7 0 "[ . 1 . 2]" 1
37 1 7 PHE H 1 86 GLY H 3.900 . 6.000 5.450 3.340 6.285 0.285 11 0 "[ . 1 . 2]" 1
38 1 7 PHE HB2 1 86 GLY H 3.900 . 6.000 4.261 2.344 5.912 . 0 0 "[ . 1 . 2]" 1
39 1 7 PHE HB3 1 8 LEU H 3.900 . 6.000 4.166 3.540 4.628 . 0 0 "[ . 1 . 2]" 1
40 1 7 PHE HB3 1 85 LEU H 3.900 . 6.000 4.008 2.453 5.847 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE QD 1 88 ARG H 3.900 . 6.000 4.743 3.360 6.013 0.013 9 0 "[ . 1 . 2]" 1
42 1 8 LEU H 1 8 LEU HA 2.250 . 2.700 2.945 2.911 2.964 0.264 16 0 "[ . 1 . 2]" 1
43 1 8 LEU H 1 8 LEU HB2 2.700 . 3.600 2.625 2.096 3.662 0.062 19 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 9 TRP H 3.900 . 6.000 4.366 4.128 4.613 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU H 1 50 ILE H 3.900 . 6.000 4.188 3.615 4.721 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 51 VAL HA 3.900 . 6.000 5.138 3.675 5.879 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU H 1 85 LEU H 3.900 . 6.000 4.868 3.079 5.823 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU HA 1 9 TRP H 2.250 . 2.700 2.220 2.164 2.287 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU HA 1 50 ILE H 3.900 . 6.000 6.010 5.671 6.179 0.179 5 0 "[ . 1 . 2]" 1
50 1 8 LEU HA 1 85 LEU H 2.700 . 3.600 3.321 2.466 3.646 0.046 14 0 "[ . 1 . 2]" 1
51 1 8 LEU HB2 1 9 TRP H 3.900 . 6.000 4.162 3.601 4.435 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU HB3 1 9 TRP H 3.900 . 6.000 3.476 2.981 4.006 . 0 0 "[ . 1 . 2]" 1
53 1 8 LEU QD 1 50 ILE H 3.900 . 6.000 4.398 2.740 5.038 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU QD 1 51 VAL H 3.900 . 6.000 5.800 4.608 6.081 0.081 2 0 "[ . 1 . 2]" 1
55 1 8 LEU QD 1 88 ARG H 3.900 . 6.000 5.978 5.640 6.121 0.121 7 0 "[ . 1 . 2]" 1
56 1 8 LEU HG 1 9 TRP H 3.900 . 6.000 4.843 3.859 5.747 . 0 0 "[ . 1 . 2]" 1
57 1 9 TRP H 1 9 TRP HB2 2.700 . 3.600 2.657 2.176 3.212 . 0 0 "[ . 1 . 2]" 1
58 1 9 TRP H 1 9 TRP HB3 2.700 . 3.600 2.840 2.385 3.080 . 0 0 "[ . 1 . 2]" 1
59 1 9 TRP H 1 10 TYR H 3.900 . 6.000 4.310 4.185 4.517 . 0 0 "[ . 1 . 2]" 1
60 1 9 TRP H 1 82 VAL HA 3.900 . 6.000 5.398 4.571 5.974 . 0 0 "[ . 1 . 2]" 1
61 1 9 TRP H 1 82 VAL QG 3.900 . 6.000 5.480 4.126 6.043 0.043 1 0 "[ . 1 . 2]" 1
62 1 9 TRP H 1 83 GLU H 3.900 . 6.000 3.662 3.074 4.132 . 0 0 "[ . 1 . 2]" 1
63 1 9 TRP H 1 83 GLU HA 3.900 . 6.000 5.404 4.629 5.905 . 0 0 "[ . 1 . 2]" 1
64 1 9 TRP H 1 85 LEU H 3.900 . 6.000 4.534 3.202 5.577 . 0 0 "[ . 1 . 2]" 1
65 1 9 TRP H 1 85 LEU MD2 3.900 . 6.000 5.193 2.634 6.036 0.036 15 0 "[ . 1 . 2]" 1
66 1 9 TRP HA 1 10 TYR H 2.250 . 2.700 2.222 2.205 2.251 . 0 0 "[ . 1 . 2]" 1
67 1 9 TRP HB2 1 10 TYR H 3.900 . 6.000 4.542 4.334 4.614 . 0 0 "[ . 1 . 2]" 1
68 1 9 TRP HB2 1 83 GLU H 3.900 . 6.000 5.178 4.222 5.846 . 0 0 "[ . 1 . 2]" 1
69 1 9 TRP HB3 1 10 TYR H 3.900 . 6.000 4.099 3.706 4.476 . 0 0 "[ . 1 . 2]" 1
70 1 9 TRP HB3 1 83 GLU H 3.900 . 6.000 4.103 2.599 4.584 . 0 0 "[ . 1 . 2]" 1
71 1 9 TRP HE1 1 47 GLU HB2 2.700 . 3.600 3.154 1.842 3.644 0.044 12 0 "[ . 1 . 2]" 1
72 1 9 TRP HE1 1 47 GLU HB3 2.700 . 3.600 2.468 1.887 3.608 0.008 16 0 "[ . 1 . 2]" 1
73 1 10 TYR H 1 10 TYR QD 2.700 . 3.600 3.355 2.926 3.660 0.060 14 0 "[ . 1 . 2]" 1
74 1 10 TYR H 1 48 VAL H 2.700 . 3.600 3.065 2.550 3.564 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR H 1 48 VAL HB 3.900 . 6.000 2.385 1.831 4.588 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR H 1 48 VAL QG 3.900 . 6.000 2.718 1.755 3.361 0.045 11 0 "[ . 1 . 2]" 1
77 1 10 TYR HA 1 11 GLN H 3.900 . 6.000 2.233 2.201 2.267 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR HA 1 81 LYS H 3.900 . 6.000 4.890 4.409 5.222 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR QB 1 48 VAL H 3.900 . 6.000 3.916 3.599 4.323 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR QD 1 48 VAL H 3.900 . 6.000 5.357 3.094 5.836 . 0 0 "[ . 1 . 2]" 1
81 1 11 GLN H 1 11 GLN HA 2.250 . 2.700 2.962 2.937 2.970 0.270 2 0 "[ . 1 . 2]" 1
82 1 11 GLN H 1 11 GLN QB 2.700 . 3.600 2.369 2.253 2.450 . 0 0 "[ . 1 . 2]" 1
83 1 11 GLN H 1 12 VAL MG2 3.900 . 6.000 5.701 5.540 5.972 . 0 0 "[ . 1 . 2]" 1
84 1 11 GLN H 1 81 LYS H 2.700 . 3.600 3.543 3.136 3.757 0.157 2 0 "[ . 1 . 2]" 1
85 1 11 GLN H 1 82 VAL QG 3.900 . 6.000 5.237 4.324 5.931 . 0 0 "[ . 1 . 2]" 1
86 1 11 GLN HA 1 12 VAL H 2.250 . 2.700 2.404 2.328 2.435 . 0 0 "[ . 1 . 2]" 1
87 1 11 GLN HA 1 48 VAL H 3.900 . 6.000 3.397 3.025 3.765 . 0 0 "[ . 1 . 2]" 1
88 1 11 GLN HE22 1 11 GLN QG 2.700 . 3.600 3.332 3.272 3.543 . 0 0 "[ . 1 . 2]" 1
89 1 11 GLN QG 1 12 VAL H 2.700 . 3.600 2.228 1.890 3.216 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL H 1 12 VAL MG1 2.250 . 2.700 2.605 2.280 2.740 0.040 5 0 "[ . 1 . 2]" 1
91 1 12 VAL H 1 12 VAL MG2 2.700 . 3.600 2.116 1.856 2.383 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL H 1 13 GLU H 3.900 . 6.000 4.430 4.405 4.470 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL H 1 47 GLU H 3.900 . 6.000 5.864 5.569 6.031 0.031 14 0 "[ . 1 . 2]" 1
94 1 12 VAL H 1 47 GLU HA 3.900 . 6.000 5.290 4.854 5.708 . 0 0 "[ . 1 . 2]" 1
95 1 12 VAL H 1 48 VAL H 3.900 . 6.000 5.451 4.950 5.835 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL H 1 80 GLU HB3 3.900 . 6.000 6.054 6.022 6.100 0.100 16 0 "[ . 1 . 2]" 1
97 1 12 VAL HA 1 13 GLU H 2.250 . 2.700 2.576 2.494 2.616 . 0 0 "[ . 1 . 2]" 1
98 1 12 VAL HA 1 80 GLU H 2.700 . 3.600 3.386 2.971 3.643 0.043 18 0 "[ . 1 . 2]" 1
99 1 12 VAL HA 1 81 LYS H 3.900 . 6.000 5.253 4.996 5.492 . 0 0 "[ . 1 . 2]" 1
100 1 12 VAL HB 1 13 GLU H 2.250 . 2.700 2.255 2.192 2.368 . 0 0 "[ . 1 . 2]" 1
101 1 12 VAL MG1 1 13 GLU H 2.700 . 3.600 3.757 3.709 3.832 0.232 6 0 "[ . 1 . 2]" 1
102 1 12 VAL MG1 1 14 MET H 3.900 . 6.000 4.726 4.473 4.911 . 0 0 "[ . 1 . 2]" 1
103 1 12 VAL MG1 1 22 LEU H 3.900 . 6.000 6.009 5.886 6.142 0.142 16 0 "[ . 1 . 2]" 1
104 1 12 VAL MG1 1 46 TYR H 2.700 . 3.600 3.645 3.473 3.681 0.081 12 0 "[ . 1 . 2]" 1
105 1 12 VAL MG2 1 13 GLU H 3.900 . 6.000 2.958 2.541 3.290 . 0 0 "[ . 1 . 2]" 1
106 1 12 VAL MG2 1 22 LEU H 3.900 . 6.000 6.032 5.764 6.104 0.104 7 0 "[ . 1 . 2]" 1
107 1 12 VAL MG2 1 46 TYR H 3.900 . 6.000 2.066 1.793 2.514 0.007 9 0 "[ . 1 . 2]" 1
108 1 12 VAL MG2 1 47 GLU H 3.900 . 6.000 5.461 4.943 6.096 0.096 15 0 "[ . 1 . 2]" 1
109 1 12 VAL MG2 1 80 GLU H 3.900 . 6.000 5.801 5.432 6.007 0.007 18 0 "[ . 1 . 2]" 1
110 1 13 GLU H 1 13 GLU HB2 2.700 . 3.600 3.511 3.029 3.744 0.144 12 0 "[ . 1 . 2]" 1
111 1 13 GLU H 1 13 GLU HB3 2.700 . 3.600 3.064 2.568 3.411 . 0 0 "[ . 1 . 2]" 1
112 1 13 GLU H 1 14 MET HB2 3.900 . 6.000 4.589 3.216 5.344 . 0 0 "[ . 1 . 2]" 1
113 1 13 GLU H 1 77 ALA MB 3.900 . 6.000 3.951 3.316 4.470 . 0 0 "[ . 1 . 2]" 1
114 1 13 GLU H 1 78 ARG H 2.700 . 3.600 3.597 3.365 3.731 0.131 20 0 "[ . 1 . 2]" 1
115 1 13 GLU H 1 79 VAL HA 3.900 . 6.000 4.723 4.379 5.292 . 0 0 "[ . 1 . 2]" 1
116 1 13 GLU H 1 80 GLU H 3.900 . 6.000 5.181 4.813 5.538 . 0 0 "[ . 1 . 2]" 1
117 1 13 GLU HA 1 14 MET H 2.250 . 2.700 2.710 2.615 2.780 0.080 4 0 "[ . 1 . 2]" 1
118 1 13 GLU HA 1 46 TYR H 3.900 . 6.000 5.153 4.726 5.508 . 0 0 "[ . 1 . 2]" 1
119 1 13 GLU HB2 1 44 GLY H 3.900 . 6.000 5.984 5.803 6.056 0.056 16 0 "[ . 1 . 2]" 1
120 1 13 GLU HB2 1 78 ARG H 3.900 . 6.000 5.648 5.228 6.010 0.010 15 0 "[ . 1 . 2]" 1
121 1 13 GLU HB3 1 14 MET H 3.900 . 6.000 4.538 4.276 4.693 . 0 0 "[ . 1 . 2]" 1
122 1 14 MET H 1 14 MET HB2 2.700 . 3.600 3.047 2.295 3.734 0.134 17 0 "[ . 1 . 2]" 1
123 1 14 MET H 1 44 GLY HA3 3.900 . 6.000 3.791 3.359 4.352 . 0 0 "[ . 1 . 2]" 1
124 1 14 MET H 1 45 ARG HA 3.900 . 6.000 3.626 3.210 4.060 . 0 0 "[ . 1 . 2]" 1
125 1 14 MET H 1 46 TYR QE 2.700 . 3.600 3.585 3.368 3.696 0.096 15 0 "[ . 1 . 2]" 1
126 1 14 MET HB3 1 77 ALA H 3.900 . 6.000 5.987 5.736 6.076 0.076 2 0 "[ . 1 . 2]" 1
127 1 15 PRO HA 1 16 GLU H 2.250 . 2.700 2.601 2.448 2.682 . 0 0 "[ . 1 . 2]" 1
128 1 15 PRO HA 1 17 ASP H 3.900 . 6.000 4.140 4.044 4.207 . 0 0 "[ . 1 . 2]" 1
129 1 15 PRO HB2 1 16 GLU H 3.900 . 6.000 1.883 1.801 2.133 . 0 0 "[ . 1 . 2]" 1
130 1 15 PRO HB2 1 17 ASP H 3.900 . 6.000 2.174 2.073 2.315 . 0 0 "[ . 1 . 2]" 1
131 1 15 PRO HB2 1 18 ARG H 3.900 . 6.000 4.097 3.794 4.413 . 0 0 "[ . 1 . 2]" 1
132 1 15 PRO HB3 1 16 GLU H 2.250 . 2.700 2.968 2.938 3.042 0.342 7 0 "[ . 1 . 2]" 1
133 1 15 PRO HB3 1 17 ASP H 2.700 . 3.600 3.868 3.814 3.910 0.310 4 0 "[ . 1 . 2]" 1
134 1 15 PRO HB3 1 18 ARG H 3.900 . 6.000 5.286 5.014 5.595 . 0 0 "[ . 1 . 2]" 1
135 1 15 PRO HB3 1 44 GLY H 3.900 . 6.000 6.035 5.951 6.068 0.068 1 0 "[ . 1 . 2]" 1
136 1 16 GLU H 1 16 GLU HA 2.250 . 2.700 2.839 2.800 2.862 0.162 7 0 "[ . 1 . 2]" 1
137 1 16 GLU H 1 16 GLU HB2 2.250 . 2.700 2.121 2.074 2.192 . 0 0 "[ . 1 . 2]" 1
138 1 16 GLU H 1 16 GLU HB3 2.250 . 2.700 2.703 2.633 2.732 0.032 4 0 "[ . 1 . 2]" 1
139 1 16 GLU H 1 17 ASP H 2.700 . 3.600 2.534 2.470 2.622 . 0 0 "[ . 1 . 2]" 1
140 1 16 GLU HA 1 17 ASP H 2.700 . 3.600 3.470 3.456 3.488 . 0 0 "[ . 1 . 2]" 1
141 1 16 GLU HA 1 18 ARG H 3.900 . 6.000 3.951 3.412 4.639 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLU HA 1 19 VAL H 3.900 . 6.000 3.403 3.095 3.988 . 0 0 "[ . 1 . 2]" 1
143 1 16 GLU HB2 1 17 ASP H 2.700 . 3.600 3.669 3.637 3.708 0.108 15 0 "[ . 1 . 2]" 1
144 1 16 GLU HB3 1 17 ASP H 2.250 . 2.700 2.788 2.749 2.846 0.146 10 0 "[ . 1 . 2]" 1
145 1 16 GLU HB3 1 18 ARG H 3.900 . 6.000 4.983 4.690 5.378 . 0 0 "[ . 1 . 2]" 1
146 1 16 GLU HB3 1 19 VAL H 3.900 . 6.000 5.192 4.995 5.430 . 0 0 "[ . 1 . 2]" 1
147 1 17 ASP H 1 17 ASP HA 2.250 . 2.700 2.834 2.822 2.865 0.165 20 0 "[ . 1 . 2]" 1
148 1 17 ASP H 1 17 ASP HB2 2.700 . 3.600 2.324 2.178 2.766 . 0 0 "[ . 1 . 2]" 1
149 1 17 ASP H 1 17 ASP HB3 2.250 . 2.700 2.551 2.143 2.708 0.008 3 0 "[ . 1 . 2]" 1
150 1 17 ASP H 1 18 ARG H 2.250 . 2.700 2.744 2.658 2.834 0.134 7 0 "[ . 1 . 2]" 1
151 1 17 ASP H 1 18 ARG HG3 3.900 . 6.000 4.437 3.864 6.070 0.070 7 0 "[ . 1 . 2]" 1
152 1 17 ASP H 1 19 VAL H 3.900 . 6.000 4.069 3.791 4.460 . 0 0 "[ . 1 . 2]" 1
153 1 17 ASP HA 1 18 ARG H 2.700 . 3.600 3.507 3.425 3.578 . 0 0 "[ . 1 . 2]" 1
154 1 17 ASP HA 1 19 VAL H 3.900 . 6.000 4.086 3.440 4.753 . 0 0 "[ . 1 . 2]" 1
155 1 17 ASP HB2 1 18 ARG H 3.900 . 6.000 3.883 3.580 4.257 . 0 0 "[ . 1 . 2]" 1
156 1 17 ASP HB3 1 18 ARG H 3.900 . 6.000 2.753 2.340 3.174 . 0 0 "[ . 1 . 2]" 1
157 1 18 ARG H 1 18 ARG HB2 2.700 . 3.600 3.255 2.724 3.591 . 0 0 "[ . 1 . 2]" 1
158 1 18 ARG H 1 18 ARG HB3 2.700 . 3.600 2.855 2.151 3.584 . 0 0 "[ . 1 . 2]" 1
159 1 18 ARG H 1 18 ARG HG2 2.700 . 3.600 2.733 2.360 3.570 . 0 0 "[ . 1 . 2]" 1
160 1 18 ARG H 1 19 VAL H 2.250 . 2.700 2.399 2.258 2.640 . 0 0 "[ . 1 . 2]" 1
161 1 18 ARG H 1 19 VAL HA 3.900 . 6.000 4.948 4.842 5.157 . 0 0 "[ . 1 . 2]" 1
162 1 18 ARG H 1 19 VAL QG 2.700 . 3.600 3.610 3.330 3.770 0.170 20 0 "[ . 1 . 2]" 1
163 1 18 ARG H 1 21 ASP H 3.900 . 6.000 5.354 5.023 5.638 . 0 0 "[ . 1 . 2]" 1
164 1 18 ARG HA 1 19 VAL H 3.900 . 6.000 3.440 3.385 3.536 . 0 0 "[ . 1 . 2]" 1
165 1 18 ARG HA 1 20 ASN H 3.900 . 6.000 3.961 3.653 4.479 . 0 0 "[ . 1 . 2]" 1
166 1 18 ARG HA 1 21 ASP H 2.700 . 3.600 3.295 2.980 3.610 0.010 7 0 "[ . 1 . 2]" 1
167 1 18 ARG HB2 1 19 VAL H 3.900 . 6.000 3.757 2.738 4.425 . 0 0 "[ . 1 . 2]" 1
168 1 18 ARG HG3 1 19 VAL H 2.700 . 3.600 2.875 2.033 3.758 0.158 11 0 "[ . 1 . 2]" 1
169 1 19 VAL H 1 19 VAL HB 2.250 . 2.700 2.378 2.219 2.588 . 0 0 "[ . 1 . 2]" 1
170 1 19 VAL H 1 19 VAL QG 2.250 . 2.700 2.060 1.832 2.246 . 0 0 "[ . 1 . 2]" 1
171 1 19 VAL H 1 20 ASN H 2.700 . 3.600 2.896 2.727 2.987 . 0 0 "[ . 1 . 2]" 1
172 1 19 VAL H 1 75 TYR QD 3.900 . 6.000 6.008 5.399 6.139 0.139 19 0 "[ . 1 . 2]" 1
173 1 19 VAL HA 1 20 ASN H 3.900 . 6.000 3.562 3.534 3.587 . 0 0 "[ . 1 . 2]" 1
174 1 19 VAL HA 1 21 ASP H 3.900 . 6.000 3.972 3.731 4.261 . 0 0 "[ . 1 . 2]" 1
175 1 19 VAL HA 1 22 LEU H 2.700 . 3.600 3.504 3.170 3.670 0.070 16 0 "[ . 1 . 2]" 1
176 1 19 VAL HA 1 23 ALA H 3.900 . 6.000 4.785 3.579 5.636 . 0 0 "[ . 1 . 2]" 1
177 1 19 VAL HB 1 20 ASN H 2.700 . 3.600 2.715 2.337 3.766 0.166 10 0 "[ . 1 . 2]" 1
178 1 19 VAL MG1 1 20 ASN H 2.700 . 3.600 3.028 1.755 3.432 0.045 10 0 "[ . 1 . 2]" 1
179 1 19 VAL MG1 1 22 LEU H 3.900 . 6.000 4.480 3.948 5.123 . 0 0 "[ . 1 . 2]" 1
180 1 19 VAL MG1 1 23 ALA H 3.900 . 6.000 4.314 3.678 5.447 . 0 0 "[ . 1 . 2]" 1
181 1 20 ASN H 1 20 ASN HB2 2.250 . 2.700 2.157 1.931 2.670 . 0 0 "[ . 1 . 2]" 1
182 1 20 ASN H 1 20 ASN HB3 2.700 . 3.600 3.124 2.221 3.520 . 0 0 "[ . 1 . 2]" 1
183 1 20 ASN H 1 21 ASP H 2.250 . 2.700 2.703 2.580 2.765 0.065 20 0 "[ . 1 . 2]" 1
184 1 20 ASN H 1 75 TYR QE 3.900 . 6.000 4.171 2.910 5.289 . 0 0 "[ . 1 . 2]" 1
185 1 20 ASN HA 1 23 ALA H 2.700 . 3.600 3.450 3.271 3.640 0.040 9 0 "[ . 1 . 2]" 1
186 1 21 ASP H 1 21 ASP HA 2.250 . 2.700 2.834 2.815 2.865 0.165 9 0 "[ . 1 . 2]" 1
187 1 21 ASP H 1 21 ASP HB2 2.250 . 2.700 2.205 2.090 2.345 . 0 0 "[ . 1 . 2]" 1
188 1 21 ASP H 1 21 ASP HB3 2.250 . 2.700 2.647 2.490 2.783 0.083 9 0 "[ . 1 . 2]" 1
189 1 21 ASP H 1 22 LEU H 2.250 . 2.700 2.751 2.684 2.795 0.095 12 0 "[ . 1 . 2]" 1
190 1 21 ASP HA 1 22 LEU H 3.900 . 6.000 3.564 3.526 3.585 . 0 0 "[ . 1 . 2]" 1
191 1 21 ASP HA 1 24 ARG H 2.700 . 3.600 3.568 3.322 3.720 0.120 9 0 "[ . 1 . 2]" 1
192 1 21 ASP HA 1 25 GLU H 3.900 . 6.000 3.823 3.505 4.175 . 0 0 "[ . 1 . 2]" 1
193 1 21 ASP HB2 1 22 LEU H 2.700 . 3.600 3.572 3.288 3.732 0.132 15 0 "[ . 1 . 2]" 1
194 1 21 ASP HB3 1 22 LEU H 2.700 . 3.600 2.347 2.138 2.660 . 0 0 "[ . 1 . 2]" 1
195 1 22 LEU H 1 22 LEU HB2 2.250 . 2.700 2.194 2.118 2.434 . 0 0 "[ . 1 . 2]" 1
196 1 22 LEU H 1 22 LEU HB3 2.700 . 3.600 3.493 3.465 3.531 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU H 1 22 LEU QD 2.700 . 3.600 1.822 1.760 2.131 0.040 9 0 "[ . 1 . 2]" 1
198 1 22 LEU H 1 23 ALA HA 3.900 . 6.000 5.360 5.267 5.422 . 0 0 "[ . 1 . 2]" 1
199 1 22 LEU H 1 23 ALA MB 3.900 . 6.000 4.219 4.126 4.329 . 0 0 "[ . 1 . 2]" 1
200 1 22 LEU H 1 75 TYR QD 3.900 . 6.000 5.571 4.901 5.941 . 0 0 "[ . 1 . 2]" 1
201 1 22 LEU HA 1 23 ALA H 3.900 . 6.000 3.553 3.530 3.573 . 0 0 "[ . 1 . 2]" 1
202 1 22 LEU HA 1 25 GLU H 3.900 . 6.000 3.506 3.366 3.719 . 0 0 "[ . 1 . 2]" 1
203 1 22 LEU HB2 1 23 ALA H 2.250 . 2.700 2.648 2.499 2.717 0.017 16 0 "[ . 1 . 2]" 1
204 1 22 LEU HB3 1 23 ALA H 2.700 . 3.600 3.400 3.244 3.608 0.008 7 0 "[ . 1 . 2]" 1
205 1 22 LEU QD 1 23 ALA H 2.700 . 3.600 3.663 3.548 3.744 0.144 15 0 "[ . 1 . 2]" 1
206 1 22 LEU QD 1 77 ALA H 3.900 . 6.000 5.945 5.435 6.088 0.088 9 0 "[ . 1 . 2]" 1
207 1 23 ALA H 1 23 ALA HA 2.250 . 2.700 2.825 2.810 2.841 0.141 2 0 "[ . 1 . 2]" 1
208 1 23 ALA H 1 23 ALA MB 2.250 . 2.700 2.038 1.907 2.153 . 0 0 "[ . 1 . 2]" 1
209 1 23 ALA H 1 24 ARG H 2.700 . 3.600 2.836 2.769 2.917 . 0 0 "[ . 1 . 2]" 1
210 1 23 ALA H 1 24 ARG QB 3.900 . 6.000 4.423 4.289 4.684 . 0 0 "[ . 1 . 2]" 1
211 1 23 ALA H 1 25 GLU H 3.900 . 6.000 4.120 3.999 4.244 . 0 0 "[ . 1 . 2]" 1
212 1 23 ALA H 1 27 ARG H 3.900 . 6.000 6.017 5.806 6.083 0.083 17 0 "[ . 1 . 2]" 1
213 1 23 ALA H 1 37 VAL QG 3.900 . 6.000 5.460 4.833 5.987 . 0 0 "[ . 1 . 2]" 1
214 1 23 ALA HA 1 24 ARG H 3.900 . 6.000 3.584 3.572 3.600 . 0 0 "[ . 1 . 2]" 1
215 1 23 ALA HA 1 26 LEU H 3.900 . 6.000 3.843 3.531 4.083 . 0 0 "[ . 1 . 2]" 1
216 1 23 ALA HA 1 27 ARG H 3.900 . 6.000 4.274 4.094 4.391 . 0 0 "[ . 1 . 2]" 1
217 1 23 ALA MB 1 24 ARG H 2.250 . 2.700 2.265 2.168 2.392 . 0 0 "[ . 1 . 2]" 1
218 1 24 ARG H 1 24 ARG HA 2.250 . 2.700 2.855 2.825 2.871 0.171 9 0 "[ . 1 . 2]" 1
219 1 24 ARG H 1 24 ARG QB 2.250 . 2.700 2.016 1.914 2.288 . 0 0 "[ . 1 . 2]" 1
220 1 24 ARG H 1 24 ARG QD 3.900 . 6.000 4.316 3.412 4.771 . 0 0 "[ . 1 . 2]" 1
221 1 24 ARG H 1 24 ARG QG 2.700 . 3.600 3.193 2.365 3.744 0.144 12 0 "[ . 1 . 2]" 1
222 1 24 ARG H 1 25 GLU H 2.250 . 2.700 2.659 2.573 2.769 0.069 2 0 "[ . 1 . 2]" 1
223 1 24 ARG H 1 26 LEU H 3.900 . 6.000 4.230 3.921 4.408 . 0 0 "[ . 1 . 2]" 1
224 1 24 ARG HA 1 25 GLU H 3.900 . 6.000 3.564 3.550 3.575 . 0 0 "[ . 1 . 2]" 1
225 1 24 ARG HA 1 27 ARG H 3.900 . 6.000 3.506 3.302 3.722 . 0 0 "[ . 1 . 2]" 1
226 1 24 ARG HA 1 28 ILE H 3.900 . 6.000 4.329 3.789 4.988 . 0 0 "[ . 1 . 2]" 1
227 1 25 GLU H 1 25 GLU HA 2.250 . 2.700 2.821 2.807 2.866 0.166 2 0 "[ . 1 . 2]" 1
228 1 25 GLU H 1 25 GLU HB3 2.250 . 2.700 2.564 2.310 2.803 0.103 15 0 "[ . 1 . 2]" 1
229 1 25 GLU H 1 26 LEU H 2.700 . 3.600 2.791 2.589 2.880 . 0 0 "[ . 1 . 2]" 1
230 1 25 GLU H 1 27 ARG H 3.900 . 6.000 4.142 4.068 4.272 . 0 0 "[ . 1 . 2]" 1
231 1 25 GLU H 1 27 ARG HB3 3.900 . 6.000 5.248 4.739 5.806 . 0 0 "[ . 1 . 2]" 1
232 1 25 GLU H 1 75 TYR QD 3.900 . 6.000 5.980 5.851 6.067 0.067 19 0 "[ . 1 . 2]" 1
233 1 25 GLU HB2 1 26 LEU H 2.700 . 3.600 3.633 3.508 3.714 0.114 7 0 "[ . 1 . 2]" 1
234 1 25 GLU HB3 1 26 LEU H 2.250 . 2.700 2.335 2.258 2.715 0.015 15 0 "[ . 1 . 2]" 1
235 1 26 LEU H 1 26 LEU HB2 2.700 . 3.600 2.738 2.148 3.498 . 0 0 "[ . 1 . 2]" 1
236 1 26 LEU H 1 26 LEU HB3 2.700 . 3.600 2.961 2.126 3.524 . 0 0 "[ . 1 . 2]" 1
237 1 26 LEU H 1 26 LEU QD 2.700 . 3.600 3.061 2.752 3.194 . 0 0 "[ . 1 . 2]" 1
238 1 26 LEU H 1 26 LEU HG 2.250 . 2.700 2.476 2.093 2.732 0.032 20 0 "[ . 1 . 2]" 1
239 1 26 LEU H 1 27 ARG H 2.700 . 3.600 2.710 2.614 2.815 . 0 0 "[ . 1 . 2]" 1
240 1 26 LEU HA 1 27 ARG H 2.700 . 3.600 3.560 3.546 3.582 . 0 0 "[ . 1 . 2]" 1
241 1 26 LEU HB3 1 27 ARG H 3.900 . 6.000 3.547 3.360 3.708 . 0 0 "[ . 1 . 2]" 1
242 1 26 LEU QD 1 27 ARG H 3.900 . 6.000 3.471 2.548 4.127 . 0 0 "[ . 1 . 2]" 1
243 1 26 LEU QD 1 28 ILE H 3.900 . 6.000 4.989 4.290 5.533 . 0 0 "[ . 1 . 2]" 1
244 1 27 ARG H 1 27 ARG HB2 2.700 . 3.600 2.642 2.012 3.499 . 0 0 "[ . 1 . 2]" 1
245 1 27 ARG H 1 27 ARG HB3 2.250 . 2.700 2.378 1.950 2.834 0.134 16 0 "[ . 1 . 2]" 1
246 1 27 ARG H 1 27 ARG QD 3.900 . 6.000 4.206 3.107 4.486 . 0 0 "[ . 1 . 2]" 1
247 1 27 ARG H 1 27 ARG QG 2.700 . 3.600 3.473 2.627 3.729 0.129 12 0 "[ . 1 . 2]" 1
248 1 27 ARG H 1 28 ILE H 2.700 . 3.600 2.714 2.562 2.824 . 0 0 "[ . 1 . 2]" 1
249 1 27 ARG H 1 28 ILE MD 3.900 . 6.000 5.269 4.616 6.105 0.105 18 0 "[ . 1 . 2]" 1
250 1 27 ARG HB2 1 28 ILE H 3.900 . 6.000 3.841 3.399 4.157 . 0 0 "[ . 1 . 2]" 1
251 1 27 ARG QD 1 29 ARG H 3.900 . 6.000 5.475 4.835 6.082 0.082 7 0 "[ . 1 . 2]" 1
252 1 27 ARG HE 1 27 ARG QG 2.250 . 2.700 2.218 1.919 2.537 . 0 0 "[ . 1 . 2]" 1
253 1 28 ILE H 1 28 ILE HA 2.250 . 2.700 2.828 2.795 2.855 0.155 3 0 "[ . 1 . 2]" 1
254 1 28 ILE H 1 28 ILE HB 2.250 . 2.700 2.318 1.925 2.643 . 0 0 "[ . 1 . 2]" 1
255 1 28 ILE H 1 28 ILE MD 2.700 . 3.600 3.509 3.090 3.950 0.350 18 0 "[ . 1 . 2]" 1
256 1 28 ILE H 1 28 ILE QG 2.700 . 3.600 2.431 1.791 3.939 0.339 15 0 "[ . 1 . 2]" 1
257 1 28 ILE H 1 28 ILE MG 2.700 . 3.600 3.407 1.800 3.694 0.094 14 0 "[ . 1 . 2]" 1
258 1 28 ILE H 1 29 ARG H 2.700 . 3.600 2.756 2.612 2.881 . 0 0 "[ . 1 . 2]" 1
259 1 28 ILE H 1 29 ARG HB3 3.900 . 6.000 5.430 4.666 6.153 0.153 12 0 "[ . 1 . 2]" 1
260 1 28 ILE H 1 67 ILE MG 3.900 . 6.000 4.448 3.663 5.599 . 0 0 "[ . 1 . 2]" 1
261 1 28 ILE HA 1 29 ARG H 2.700 . 3.600 3.569 3.528 3.592 . 0 0 "[ . 1 . 2]" 1
262 1 28 ILE MD 1 29 ARG H 3.900 . 6.000 4.305 2.441 4.667 . 0 0 "[ . 1 . 2]" 1
263 1 28 ILE MD 1 67 ILE H 3.900 . 6.000 5.961 5.491 6.082 0.082 12 0 "[ . 1 . 2]" 1
264 1 28 ILE QG 1 29 ARG H 3.900 . 6.000 4.014 3.625 4.447 . 0 0 "[ . 1 . 2]" 1
265 1 28 ILE MG 1 29 ARG H 3.900 . 6.000 2.941 1.795 3.658 0.005 13 0 "[ . 1 . 2]" 1
266 1 29 ARG H 1 29 ARG HB2 2.700 . 3.600 3.224 2.094 3.580 . 0 0 "[ . 1 . 2]" 1
267 1 29 ARG H 1 29 ARG HB3 2.700 . 3.600 2.795 2.157 3.509 . 0 0 "[ . 1 . 2]" 1
268 1 29 ARG H 1 29 ARG HG2 2.700 . 3.600 2.449 1.802 3.621 0.021 11 0 "[ . 1 . 2]" 1
269 1 29 ARG H 1 30 ASP QB 3.900 . 6.000 5.359 4.854 5.897 . 0 0 "[ . 1 . 2]" 1
270 1 29 ARG H 1 32 VAL HB 3.900 . 6.000 5.538 4.555 6.003 0.003 2 0 "[ . 1 . 2]" 1
271 1 29 ARG H 1 32 VAL MG1 3.900 . 6.000 4.763 4.268 5.753 . 0 0 "[ . 1 . 2]" 1
272 1 29 ARG H 1 68 ILE HA 3.900 . 6.000 6.024 5.789 6.114 0.114 1 0 "[ . 1 . 2]" 1
273 1 29 ARG HA 1 30 ASP H 2.700 . 3.600 2.586 2.221 2.829 . 0 0 "[ . 1 . 2]" 1
274 1 29 ARG HA 1 31 ASN H 3.900 . 6.000 3.362 3.143 3.714 . 0 0 "[ . 1 . 2]" 1
275 1 29 ARG HB2 1 30 ASP H 3.900 . 6.000 4.366 3.814 4.611 . 0 0 "[ . 1 . 2]" 1
276 1 29 ARG HB2 1 31 ASN H 3.900 . 6.000 4.542 3.548 5.903 . 0 0 "[ . 1 . 2]" 1
277 1 29 ARG HB2 1 32 VAL H 3.900 . 6.000 3.802 3.187 5.009 . 0 0 "[ . 1 . 2]" 1
278 1 29 ARG HB3 1 30 ASP H 3.900 . 6.000 4.586 4.324 4.690 . 0 0 "[ . 1 . 2]" 1
279 1 29 ARG HB3 1 31 ASN H 3.900 . 6.000 5.151 4.389 5.901 . 0 0 "[ . 1 . 2]" 1
280 1 29 ARG HB3 1 32 VAL H 3.900 . 6.000 4.721 3.338 5.403 . 0 0 "[ . 1 . 2]" 1
281 1 30 ASP H 1 30 ASP QB 2.250 . 2.700 2.167 1.932 2.534 . 0 0 "[ . 1 . 2]" 1
282 1 30 ASP H 1 31 ASN H 2.700 . 3.600 2.620 2.475 2.793 . 0 0 "[ . 1 . 2]" 1
283 1 30 ASP HA 1 31 ASN H 3.900 . 6.000 3.517 3.487 3.567 . 0 0 "[ . 1 . 2]" 1
284 1 30 ASP HA 1 32 VAL H 3.900 . 6.000 3.624 3.413 4.104 . 0 0 "[ . 1 . 2]" 1
285 1 31 ASN H 1 31 ASN HB2 2.700 . 3.600 2.887 2.246 3.527 . 0 0 "[ . 1 . 2]" 1
286 1 31 ASN H 1 31 ASN HB3 2.250 . 2.700 2.404 2.222 2.623 . 0 0 "[ . 1 . 2]" 1
287 1 31 ASN H 1 31 ASN HD22 3.900 . 6.000 4.890 3.277 5.799 . 0 0 "[ . 1 . 2]" 1
288 1 31 ASN H 1 32 VAL H 2.700 . 3.600 2.706 2.611 2.840 . 0 0 "[ . 1 . 2]" 1
289 1 31 ASN H 1 32 VAL HB 3.900 . 6.000 4.504 4.265 4.721 . 0 0 "[ . 1 . 2]" 1
290 1 31 ASN H 1 32 VAL MG1 3.900 . 6.000 4.562 4.030 5.307 . 0 0 "[ . 1 . 2]" 1
291 1 31 ASN HA 1 32 VAL H 3.900 . 6.000 3.455 3.407 3.542 . 0 0 "[ . 1 . 2]" 1
292 1 31 ASN HB3 1 31 ASN HD22 2.700 . 3.600 3.560 3.509 3.735 0.135 14 0 "[ . 1 . 2]" 1
293 1 31 ASN HB3 1 32 VAL H 3.900 . 6.000 3.502 2.829 4.184 . 0 0 "[ . 1 . 2]" 1
294 1 31 ASN HD21 1 32 VAL MG2 3.900 . 6.000 5.145 3.263 6.041 0.041 14 0 "[ . 1 . 2]" 1
295 1 31 ASN HD22 1 32 VAL MG2 3.900 . 6.000 5.324 4.468 6.003 0.003 17 0 "[ . 1 . 2]" 1
296 1 32 VAL H 1 32 VAL HB 2.250 . 2.700 2.186 1.986 2.396 . 0 0 "[ . 1 . 2]" 1
297 1 32 VAL H 1 32 VAL MG1 2.700 . 3.600 2.513 1.969 3.089 . 0 0 "[ . 1 . 2]" 1
298 1 32 VAL H 1 32 VAL MG2 2.700 . 3.600 3.604 3.400 3.701 0.101 16 0 "[ . 1 . 2]" 1
299 1 32 VAL H 1 33 ARG H 3.900 . 6.000 4.615 4.530 4.669 . 0 0 "[ . 1 . 2]" 1
300 1 32 VAL H 1 53 ASN HD22 3.900 . 6.000 5.800 4.926 6.069 0.069 12 0 "[ . 1 . 2]" 1
301 1 32 VAL H 1 63 LEU QD 3.900 . 6.000 6.004 5.654 6.087 0.087 2 0 "[ . 1 . 2]" 1
302 1 32 VAL HA 1 33 ARG H 2.250 . 2.700 2.273 2.194 2.427 . 0 0 "[ . 1 . 2]" 1
303 1 32 VAL HA 1 34 ARG H 3.900 . 6.000 4.361 4.097 4.641 . 0 0 "[ . 1 . 2]" 1
304 1 32 VAL MG1 1 33 ARG H 2.700 . 3.600 3.358 2.550 3.696 0.096 3 0 "[ . 1 . 2]" 1
305 1 32 VAL MG2 1 33 ARG H 2.700 . 3.600 2.670 1.982 3.204 . 0 0 "[ . 1 . 2]" 1
306 1 32 VAL MG2 1 34 ARG H 2.700 . 3.600 3.038 2.458 3.678 0.078 13 0 "[ . 1 . 2]" 1
307 1 32 VAL MG2 1 53 ASN H 3.900 . 6.000 4.837 3.397 5.967 . 0 0 "[ . 1 . 2]" 1
308 1 32 VAL MG2 1 53 ASN HD22 3.900 . 6.000 5.752 4.967 6.034 0.034 19 0 "[ . 1 . 2]" 1
309 1 33 ARG H 1 33 ARG HB3 2.700 . 3.600 2.935 2.022 3.514 . 0 0 "[ . 1 . 2]" 1
310 1 33 ARG H 1 33 ARG QG 2.700 . 3.600 3.372 2.466 3.704 0.104 7 0 "[ . 1 . 2]" 1
311 1 33 ARG H 1 34 ARG H 2.250 . 2.700 2.613 2.524 2.683 . 0 0 "[ . 1 . 2]" 1
312 1 33 ARG H 1 34 ARG HA 3.900 . 6.000 5.149 5.092 5.203 . 0 0 "[ . 1 . 2]" 1
313 1 33 ARG H 1 52 LEU HA 2.700 . 3.600 2.909 1.912 3.632 0.032 18 0 "[ . 1 . 2]" 1
314 1 33 ARG H 1 53 ASN H 3.900 . 6.000 4.376 3.615 5.165 . 0 0 "[ . 1 . 2]" 1
315 1 33 ARG HB3 1 34 ARG H 2.700 . 3.600 2.820 2.560 3.376 . 0 0 "[ . 1 . 2]" 1
316 1 34 ARG H 1 34 ARG QB 2.700 . 3.600 2.657 2.545 3.109 . 0 0 "[ . 1 . 2]" 1
317 1 34 ARG H 1 35 VAL QG 3.900 . 6.000 4.263 3.380 4.987 . 0 0 "[ . 1 . 2]" 1
318 1 34 ARG H 1 51 VAL H 2.700 . 3.600 3.600 3.411 3.737 0.137 12 0 "[ . 1 . 2]" 1
319 1 34 ARG H 1 51 VAL MG1 3.900 . 6.000 2.619 1.882 3.598 . 0 0 "[ . 1 . 2]" 1
320 1 34 ARG H 1 51 VAL MG2 3.900 . 6.000 4.769 3.873 5.551 . 0 0 "[ . 1 . 2]" 1
321 1 34 ARG H 1 52 LEU HA 3.900 . 6.000 4.376 3.041 5.077 . 0 0 "[ . 1 . 2]" 1
322 1 34 ARG HA 1 35 VAL H 2.250 . 2.700 2.235 2.180 2.343 . 0 0 "[ . 1 . 2]" 1
323 1 35 VAL H 1 35 VAL HB 2.700 . 3.600 3.085 2.558 3.672 0.072 9 0 "[ . 1 . 2]" 1
324 1 35 VAL H 1 35 VAL QG 2.700 . 3.600 2.055 1.817 2.528 . 0 0 "[ . 1 . 2]" 1
325 1 35 VAL H 1 50 ILE QG 2.700 . 3.600 3.698 3.614 3.915 0.315 10 0 "[ . 1 . 2]" 1
326 1 36 MET H 1 36 MET HA 2.250 . 2.700 2.960 2.949 2.966 0.266 11 0 "[ . 1 . 2]" 1
327 1 36 MET H 1 36 MET HB3 2.700 . 3.600 3.123 2.391 3.646 0.046 6 0 "[ . 1 . 2]" 1
328 1 36 MET H 1 37 VAL QG 2.700 . 3.600 3.560 3.403 3.647 0.047 12 0 "[ . 1 . 2]" 1
329 1 36 MET H 1 49 ASN HB2 3.900 . 6.000 4.461 3.615 5.163 . 0 0 "[ . 1 . 2]" 1
330 1 36 MET H 1 49 ASN HB3 3.900 . 6.000 5.502 4.818 6.009 0.009 4 0 "[ . 1 . 2]" 1
331 1 36 MET HA 1 37 VAL H 2.250 . 2.700 2.215 2.202 2.230 . 0 0 "[ . 1 . 2]" 1
332 1 36 MET QG 1 37 VAL H 3.900 . 6.000 3.438 2.927 4.188 . 0 0 "[ . 1 . 2]" 1
333 1 37 VAL H 1 37 VAL HB 2.250 . 2.700 2.527 2.340 2.646 . 0 0 "[ . 1 . 2]" 1
334 1 37 VAL H 1 37 VAL QG 2.700 . 3.600 2.453 2.207 2.730 . 0 0 "[ . 1 . 2]" 1
335 1 37 VAL HA 1 38 VAL H 2.250 . 2.700 2.228 2.209 2.250 . 0 0 "[ . 1 . 2]" 1
336 1 37 VAL HA 1 49 ASN H 2.700 . 3.600 3.503 3.218 3.632 0.032 14 0 "[ . 1 . 2]" 1
337 1 37 VAL QG 1 38 VAL H 2.700 . 3.600 2.570 2.405 2.756 . 0 0 "[ . 1 . 2]" 1
338 1 37 VAL QG 1 48 VAL H 3.900 . 6.000 3.861 3.200 4.377 . 0 0 "[ . 1 . 2]" 1
339 1 37 VAL QG 1 49 ASN H 3.900 . 6.000 3.422 2.542 3.955 . 0 0 "[ . 1 . 2]" 1
340 1 38 VAL H 1 38 VAL HB 2.700 . 3.600 3.409 2.524 3.681 0.081 14 0 "[ . 1 . 2]" 1
341 1 38 VAL H 1 38 VAL QG 2.700 . 3.600 1.901 1.776 2.406 0.024 10 0 "[ . 1 . 2]" 1
342 1 38 VAL H 1 39 ALA H 3.900 . 6.000 4.498 4.364 4.581 . 0 0 "[ . 1 . 2]" 1
343 1 38 VAL H 1 47 GLU H 2.700 . 3.600 2.907 2.585 3.408 . 0 0 "[ . 1 . 2]" 1
344 1 38 VAL H 1 47 GLU HB2 3.900 . 6.000 4.003 2.916 5.502 . 0 0 "[ . 1 . 2]" 1
345 1 38 VAL H 1 48 VAL HA 3.900 . 6.000 4.088 3.085 4.974 . 0 0 "[ . 1 . 2]" 1
346 1 38 VAL H 1 48 VAL QG 3.900 . 6.000 4.260 3.049 5.097 . 0 0 "[ . 1 . 2]" 1
347 1 38 VAL H 1 49 ASN HD21 3.900 . 6.000 4.500 3.856 4.888 . 0 0 "[ . 1 . 2]" 1
348 1 38 VAL H 1 49 ASN HD22 3.900 . 6.000 4.682 3.419 5.902 . 0 0 "[ . 1 . 2]" 1
349 1 38 VAL HA 1 39 ALA H 2.250 . 2.700 2.276 2.198 2.381 . 0 0 "[ . 1 . 2]" 1
350 1 38 VAL HB 1 39 ALA H 2.700 . 3.600 3.335 2.721 3.735 0.135 17 0 "[ . 1 . 2]" 1
351 1 38 VAL QG 1 39 ALA H 2.700 . 3.600 3.115 1.828 3.608 0.008 5 0 "[ . 1 . 2]" 1
352 1 38 VAL QG 1 47 GLU H 3.900 . 6.000 2.481 1.822 3.945 . 0 0 "[ . 1 . 2]" 1
353 1 39 ALA H 1 39 ALA MB 2.250 . 2.700 2.138 1.999 2.199 . 0 0 "[ . 1 . 2]" 1
354 1 39 ALA H 1 46 TYR HA 3.900 . 6.000 5.089 4.840 5.512 . 0 0 "[ . 1 . 2]" 1
355 1 39 ALA HA 1 40 SER H 2.250 . 2.700 2.334 2.307 2.357 . 0 0 "[ . 1 . 2]" 1
356 1 39 ALA HA 1 47 GLU H 3.900 . 6.000 4.511 4.213 4.798 . 0 0 "[ . 1 . 2]" 1
357 1 39 ALA MB 1 40 SER H 2.250 . 2.700 2.758 2.735 2.799 0.099 18 0 "[ . 1 . 2]" 1
358 1 40 SER H 1 40 SER HB2 2.700 . 3.600 3.071 1.977 3.537 . 0 0 "[ . 1 . 2]" 1
359 1 40 SER H 1 40 SER HB3 2.700 . 3.600 3.015 2.480 3.416 . 0 0 "[ . 1 . 2]" 1
360 1 40 SER H 1 44 GLY H 3.900 . 6.000 6.040 6.005 6.098 0.098 3 0 "[ . 1 . 2]" 1
361 1 40 SER H 1 46 TYR H 3.900 . 6.000 5.267 5.107 5.441 . 0 0 "[ . 1 . 2]" 1
362 1 40 SER H 1 46 TYR HA 2.700 . 3.600 3.569 3.393 3.656 0.056 3 0 "[ . 1 . 2]" 1
363 1 40 SER H 1 47 GLU H 3.900 . 6.000 5.442 5.252 5.569 . 0 0 "[ . 1 . 2]" 1
364 1 40 SER HA 1 41 THR H 2.250 . 2.700 2.609 2.311 2.754 0.054 8 0 "[ . 1 . 2]" 1
365 1 40 SER HB2 1 41 THR H 3.900 . 6.000 2.665 2.012 4.218 . 0 0 "[ . 1 . 2]" 1
366 1 40 SER HB2 1 42 THR H 2.700 . 3.600 2.740 2.190 3.613 0.013 3 0 "[ . 1 . 2]" 1
367 1 40 SER HB2 1 45 ARG H 3.900 . 6.000 3.421 2.402 4.295 . 0 0 "[ . 1 . 2]" 1
368 1 40 SER HB3 1 41 THR H 2.700 . 3.600 3.210 2.053 3.606 0.006 8 0 "[ . 1 . 2]" 1
369 1 40 SER HB3 1 42 THR H 3.900 . 6.000 3.656 2.134 4.726 . 0 0 "[ . 1 . 2]" 1
370 1 40 SER HB3 1 45 ARG H 3.900 . 6.000 3.359 2.654 3.981 . 0 0 "[ . 1 . 2]" 1
371 1 41 THR H 1 41 THR HB 2.700 . 3.600 2.990 2.391 3.628 0.028 7 0 "[ . 1 . 2]" 1
372 1 41 THR H 1 41 THR MG 2.250 . 2.700 2.115 1.848 2.454 . 0 0 "[ . 1 . 2]" 1
373 1 41 THR H 1 42 THR H 2.250 . 2.700 2.415 2.092 2.699 . 0 0 "[ . 1 . 2]" 1
374 1 41 THR H 1 42 THR HB 3.900 . 6.000 4.101 3.858 4.449 . 0 0 "[ . 1 . 2]" 1
375 1 41 THR HA 1 42 THR H 2.700 . 3.600 3.341 3.203 3.589 . 0 0 "[ . 1 . 2]" 1
376 1 41 THR MG 1 42 THR H 3.900 . 6.000 3.110 2.022 4.193 . 0 0 "[ . 1 . 2]" 1
377 1 42 THR H 1 42 THR HB 2.250 . 2.700 2.628 2.183 2.747 0.047 3 0 "[ . 1 . 2]" 1
378 1 42 THR H 1 42 THR MG 2.700 . 3.600 3.677 3.571 3.731 0.131 8 0 "[ . 1 . 2]" 1
379 1 42 THR H 1 43 PRO HB2 3.900 . 6.000 5.314 5.211 5.649 . 0 0 "[ . 1 . 2]" 1
380 1 42 THR MG 1 45 ARG H 3.900 . 6.000 5.849 5.775 6.017 0.017 8 0 "[ . 1 . 2]" 1
381 1 43 PRO HB2 1 44 GLY H 2.700 . 3.600 2.084 1.855 2.395 . 0 0 "[ . 1 . 2]" 1
382 1 43 PRO HB2 1 45 ARG H 3.900 . 6.000 2.633 2.328 2.896 . 0 0 "[ . 1 . 2]" 1
383 1 43 PRO HB3 1 44 GLY H 3.900 . 6.000 3.280 3.187 3.414 . 0 0 "[ . 1 . 2]" 1
384 1 44 GLY H 1 44 GLY HA2 2.250 . 2.700 2.948 2.939 2.958 0.258 15 0 "[ . 1 . 2]" 1
385 1 44 GLY H 1 44 GLY HA3 2.250 . 2.700 2.450 2.415 2.505 . 0 0 "[ . 1 . 2]" 1
386 1 44 GLY H 1 45 ARG H 2.250 . 2.700 2.721 2.479 2.823 0.123 1 0 "[ . 1 . 2]" 1
387 1 44 GLY HA2 1 45 ARG H 2.700 . 3.600 2.923 2.819 3.044 . 0 0 "[ . 1 . 2]" 1
388 1 44 GLY HA3 1 45 ARG H 2.700 . 3.600 3.513 3.452 3.538 . 0 0 "[ . 1 . 2]" 1
389 1 45 ARG H 1 45 ARG HB2 2.700 . 3.600 2.459 2.046 3.631 0.031 8 0 "[ . 1 . 2]" 1
390 1 45 ARG H 1 45 ARG HB3 2.700 . 3.600 3.237 2.739 3.454 . 0 0 "[ . 1 . 2]" 1
391 1 45 ARG H 1 45 ARG QD 2.700 . 3.600 3.421 2.885 3.814 0.214 16 0 "[ . 1 . 2]" 1
392 1 45 ARG H 1 45 ARG QG 2.700 . 3.600 2.881 1.768 3.377 0.032 16 0 "[ . 1 . 2]" 1
393 1 45 ARG HA 1 46 TYR H 2.250 . 2.700 2.273 2.224 2.339 . 0 0 "[ . 1 . 2]" 1
394 1 45 ARG HB2 1 46 TYR H 3.900 . 6.000 3.946 2.567 4.467 . 0 0 "[ . 1 . 2]" 1
395 1 45 ARG HB3 1 46 TYR H 2.700 . 3.600 3.472 3.100 3.855 0.255 20 0 "[ . 1 . 2]" 1
396 1 45 ARG HE 1 45 ARG QG 2.700 . 3.600 2.219 1.927 2.564 . 0 0 "[ . 1 . 2]" 1
397 1 45 ARG QG 1 46 TYR H 2.700 . 3.600 3.653 3.609 3.721 0.121 16 0 "[ . 1 . 2]" 1
398 1 46 TYR H 1 46 TYR HB3 2.700 . 3.600 3.686 3.416 3.761 0.161 4 0 "[ . 1 . 2]" 1
399 1 46 TYR H 1 46 TYR QE 3.900 . 6.000 4.461 3.971 4.757 . 0 0 "[ . 1 . 2]" 1
400 1 46 TYR HA 1 47 GLU H 2.250 . 2.700 2.268 2.215 2.297 . 0 0 "[ . 1 . 2]" 1
401 1 46 TYR HB2 1 47 GLU H 2.700 . 3.600 3.718 2.726 3.883 0.283 11 0 "[ . 1 . 2]" 1
402 1 46 TYR HB3 1 47 GLU H 2.700 . 3.600 2.863 2.726 3.707 0.107 15 0 "[ . 1 . 2]" 1
403 1 46 TYR HB3 1 48 VAL H 3.900 . 6.000 4.890 4.376 6.096 0.096 15 0 "[ . 1 . 2]" 1
404 1 46 TYR QE 1 47 GLU H 3.900 . 6.000 6.082 6.025 6.244 0.244 16 0 "[ . 1 . 2]" 1
405 1 47 GLU H 1 47 GLU HB2 2.700 . 3.600 2.776 2.166 3.656 0.056 13 0 "[ . 1 . 2]" 1
406 1 47 GLU H 1 47 GLU HB3 2.700 . 3.600 3.309 2.109 3.665 0.065 12 0 "[ . 1 . 2]" 1
407 1 47 GLU H 1 47 GLU QG 2.700 . 3.600 2.566 1.857 3.676 0.076 16 0 "[ . 1 . 2]" 1
408 1 47 GLU HA 1 48 VAL H 2.250 . 2.700 2.289 2.218 2.353 . 0 0 "[ . 1 . 2]" 1
409 1 47 GLU QG 1 48 VAL H 3.900 . 6.000 4.285 3.426 4.860 . 0 0 "[ . 1 . 2]" 1
410 1 48 VAL H 1 48 VAL HB 2.700 . 3.600 2.470 2.135 3.591 . 0 0 "[ . 1 . 2]" 1
411 1 48 VAL H 1 48 VAL QG 2.250 . 2.700 2.283 1.771 2.621 0.029 12 0 "[ . 1 . 2]" 1
412 1 48 VAL H 1 49 ASN H 3.900 . 6.000 4.481 4.368 4.541 . 0 0 "[ . 1 . 2]" 1
413 1 48 VAL HA 1 49 ASN H 2.250 . 2.700 2.192 2.168 2.219 . 0 0 "[ . 1 . 2]" 1
414 1 48 VAL HB 1 49 ASN H 3.900 . 6.000 4.262 3.490 4.503 . 0 0 "[ . 1 . 2]" 1
415 1 48 VAL QG 1 49 ASN H 2.700 . 3.600 2.951 2.574 3.618 0.018 12 0 "[ . 1 . 2]" 1
416 1 49 ASN H 1 49 ASN HB2 2.700 . 3.600 2.939 2.494 3.682 0.082 12 0 "[ . 1 . 2]" 1
417 1 49 ASN H 1 49 ASN HD21 2.700 . 3.600 2.974 2.100 3.603 0.003 20 0 "[ . 1 . 2]" 1
418 1 49 ASN H 1 49 ASN HD22 3.900 . 6.000 3.798 2.976 4.603 . 0 0 "[ . 1 . 2]" 1
419 1 49 ASN H 1 50 ILE H 2.700 . 3.600 3.867 3.842 3.915 0.315 11 0 "[ . 1 . 2]" 1
420 1 49 ASN HA 1 50 ILE H 2.250 . 2.700 2.227 2.194 2.257 . 0 0 "[ . 1 . 2]" 1
421 1 49 ASN HB3 1 50 ILE H 3.900 . 6.000 4.116 3.940 4.477 . 0 0 "[ . 1 . 2]" 1
422 1 50 ILE H 1 50 ILE HB 2.700 . 3.600 2.761 2.225 3.207 . 0 0 "[ . 1 . 2]" 1
423 1 50 ILE H 1 50 ILE MD 3.900 . 6.000 3.826 2.554 4.426 . 0 0 "[ . 1 . 2]" 1
424 1 50 ILE H 1 51 VAL H 3.900 . 6.000 4.511 4.446 4.580 . 0 0 "[ . 1 . 2]" 1
425 1 50 ILE MD 1 51 VAL H 2.700 . 3.600 2.964 1.946 3.830 0.230 16 0 "[ . 1 . 2]" 1
426 1 51 VAL H 1 51 VAL HB 2.700 . 3.600 2.779 2.137 3.026 . 0 0 "[ . 1 . 2]" 1
427 1 51 VAL H 1 51 VAL MG1 2.700 . 3.600 1.985 1.799 3.344 0.001 3 0 "[ . 1 . 2]" 1
428 1 51 VAL HA 1 52 LEU H 2.250 . 2.700 2.308 2.192 2.391 . 0 0 "[ . 1 . 2]" 1
429 1 51 VAL MG1 1 52 LEU H 3.900 . 6.000 3.715 2.421 4.130 . 0 0 "[ . 1 . 2]" 1
430 1 51 VAL MG2 1 52 LEU H 2.700 . 3.600 2.331 1.940 3.309 . 0 0 "[ . 1 . 2]" 1
431 1 52 LEU H 1 52 LEU HB2 2.700 . 3.600 2.334 2.005 2.788 . 0 0 "[ . 1 . 2]" 1
432 1 52 LEU H 1 52 LEU HG 2.700 . 3.600 3.320 2.311 3.667 0.067 3 0 "[ . 1 . 2]" 1
433 1 52 LEU HA 1 53 ASN H 2.250 . 2.700 2.664 2.438 2.826 0.126 16 0 "[ . 1 . 2]" 1
434 1 52 LEU HB2 1 53 ASN H 3.900 . 6.000 3.333 2.626 3.869 . 0 0 "[ . 1 . 2]" 1
435 1 52 LEU HB3 1 53 ASN H 2.700 . 3.600 2.106 1.817 2.536 . 0 0 "[ . 1 . 2]" 1
436 1 52 LEU QD 1 53 ASN H 2.700 . 3.600 2.952 1.846 3.644 0.044 6 0 "[ . 1 . 2]" 1
437 1 53 ASN H 1 53 ASN QB 2.250 . 2.700 2.347 1.899 2.643 . 0 0 "[ . 1 . 2]" 1
438 1 53 ASN QB 1 53 ASN HD22 2.700 . 3.600 3.395 3.270 3.537 . 0 0 "[ . 1 . 2]" 1
439 1 53 ASN QB 1 56 LEU H 3.900 . 6.000 4.227 3.894 4.618 . 0 0 "[ . 1 . 2]" 1
440 1 53 ASN HD21 1 60 GLN HE22 3.900 . 6.000 4.042 2.143 5.936 . 0 0 "[ . 1 . 2]" 1
441 1 55 ASN H 1 55 ASN HB2 2.700 . 3.600 3.164 2.729 3.547 . 0 0 "[ . 1 . 2]" 1
442 1 55 ASN H 1 55 ASN HB3 2.250 . 2.700 2.671 2.451 2.782 0.082 10 0 "[ . 1 . 2]" 1
443 1 55 ASN H 1 56 LEU H 2.700 . 3.600 3.468 3.183 3.635 0.035 9 0 "[ . 1 . 2]" 1
444 1 55 ASN HB2 1 56 LEU H 3.900 . 6.000 4.670 4.613 4.713 . 0 0 "[ . 1 . 2]" 1
445 1 55 ASN HB3 1 56 LEU H 3.900 . 6.000 4.486 4.382 4.592 . 0 0 "[ . 1 . 2]" 1
446 1 56 LEU H 1 56 LEU HB2 2.700 . 3.600 2.730 2.027 3.568 . 0 0 "[ . 1 . 2]" 1
447 1 56 LEU H 1 56 LEU HB3 2.700 . 3.600 3.174 2.371 3.528 . 0 0 "[ . 1 . 2]" 1
448 1 56 LEU H 1 56 LEU MD1 2.700 . 3.600 3.228 1.847 3.834 0.234 14 0 "[ . 1 . 2]" 1
449 1 56 LEU H 1 56 LEU MD2 2.700 . 3.600 3.377 2.659 3.677 0.077 3 0 "[ . 1 . 2]" 1
450 1 56 LEU H 1 56 LEU HG 2.250 . 2.700 2.245 1.786 2.758 0.058 3 0 "[ . 1 . 2]" 1
451 1 56 LEU H 1 88 ARG H 3.900 . 6.000 5.392 4.334 6.012 0.012 14 0 "[ . 1 . 2]" 1
452 1 56 LEU HA 1 57 ASP H 2.250 . 2.700 2.642 2.440 2.792 0.092 10 0 "[ . 1 . 2]" 1
453 1 56 LEU HB2 1 57 ASP H 2.700 . 3.600 2.888 2.084 3.567 . 0 0 "[ . 1 . 2]" 1
454 1 56 LEU HB3 1 57 ASP H 2.700 . 3.600 2.603 1.849 3.729 0.129 19 0 "[ . 1 . 2]" 1
455 1 56 LEU MD1 1 57 ASP H 2.700 . 3.600 3.385 1.963 3.745 0.145 6 0 "[ . 1 . 2]" 1
456 1 56 LEU MD1 1 60 GLN H 3.900 . 6.000 5.814 4.931 6.070 0.070 8 0 "[ . 1 . 2]" 1
457 1 56 LEU MD1 1 61 LEU H 3.900 . 6.000 5.176 4.317 6.014 0.014 7 0 "[ . 1 . 2]" 1
458 1 56 LEU MD2 1 57 ASP H 3.900 . 6.000 3.353 2.256 4.370 . 0 0 "[ . 1 . 2]" 1
459 1 56 LEU MD2 1 61 LEU H 3.900 . 6.000 5.160 3.809 6.064 0.064 11 0 "[ . 1 . 2]" 1
460 1 56 LEU HG 1 57 ASP H 3.900 . 6.000 4.605 3.866 4.987 . 0 0 "[ . 1 . 2]" 1
461 1 57 ASP H 1 57 ASP HB2 2.700 . 3.600 3.391 2.777 3.815 0.215 19 0 "[ . 1 . 2]" 1
462 1 57 ASP H 1 57 ASP HB3 2.700 . 3.600 3.315 2.824 3.747 0.147 11 0 "[ . 1 . 2]" 1
463 1 57 ASP H 1 58 GLN HA 3.900 . 6.000 4.923 4.794 5.082 . 0 0 "[ . 1 . 2]" 1
464 1 57 ASP H 1 58 GLN QG 3.900 . 6.000 5.605 5.347 5.942 . 0 0 "[ . 1 . 2]" 1
465 1 57 ASP H 1 60 GLN HA 3.900 . 6.000 5.048 4.852 5.230 . 0 0 "[ . 1 . 2]" 1
466 1 57 ASP H 1 60 GLN HB2 2.700 . 3.600 2.084 1.958 2.231 . 0 0 "[ . 1 . 2]" 1
467 1 57 ASP H 1 60 GLN HB3 2.700 . 3.600 3.435 2.877 3.619 0.019 4 0 "[ . 1 . 2]" 1
468 1 57 ASP H 1 60 GLN HG3 3.900 . 6.000 3.105 2.327 3.597 . 0 0 "[ . 1 . 2]" 1
469 1 57 ASP HA 1 58 GLN H 2.700 . 3.600 2.559 2.467 2.790 . 0 0 "[ . 1 . 2]" 1
470 1 57 ASP HA 1 59 SER H 3.900 . 6.000 4.494 4.308 4.819 . 0 0 "[ . 1 . 2]" 1
471 1 57 ASP HB2 1 58 GLN H 2.700 . 3.600 3.577 2.501 3.759 0.159 6 0 "[ . 1 . 2]" 1
472 1 57 ASP HB2 1 59 SER H 3.900 . 6.000 4.115 2.607 4.909 . 0 0 "[ . 1 . 2]" 1
473 1 57 ASP HB3 1 58 GLN H 2.700 . 3.600 3.133 2.279 3.681 0.081 7 0 "[ . 1 . 2]" 1
474 1 58 GLN H 1 58 GLN HA 2.250 . 2.700 2.834 2.803 2.852 0.152 6 0 "[ . 1 . 2]" 1
475 1 58 GLN H 1 58 GLN QB 2.250 . 2.700 2.285 1.995 2.655 . 0 0 "[ . 1 . 2]" 1
476 1 58 GLN H 1 58 GLN QG 2.700 . 3.600 2.279 1.783 2.930 0.017 17 0 "[ . 1 . 2]" 1
477 1 58 GLN H 1 59 SER H 2.700 . 3.600 2.725 2.612 2.977 . 0 0 "[ . 1 . 2]" 1
478 1 58 GLN H 1 60 GLN H 3.900 . 6.000 4.204 3.999 4.427 . 0 0 "[ . 1 . 2]" 1
479 1 58 GLN HA 1 61 LEU H 2.700 . 3.600 3.607 3.465 3.706 0.106 15 0 "[ . 1 . 2]" 1
480 1 58 GLN QB 1 59 SER H 2.250 . 2.700 2.635 2.441 2.889 0.189 17 0 "[ . 1 . 2]" 1
481 1 58 GLN QB 1 60 GLN H 3.900 . 6.000 4.679 4.455 4.889 . 0 0 "[ . 1 . 2]" 1
482 1 59 SER H 1 59 SER HA 2.250 . 2.700 2.856 2.827 2.874 0.174 6 0 "[ . 1 . 2]" 1
483 1 59 SER H 1 59 SER QB 2.250 . 2.700 2.091 1.926 2.704 0.004 6 0 "[ . 1 . 2]" 1
484 1 59 SER H 1 60 GLN H 2.250 . 2.700 2.611 2.530 2.707 0.007 7 0 "[ . 1 . 2]" 1
485 1 59 SER H 1 60 GLN HB3 3.900 . 6.000 6.051 6.016 6.088 0.088 20 0 "[ . 1 . 2]" 1
486 1 59 SER H 1 60 GLN HG2 3.900 . 6.000 4.463 3.860 5.107 . 0 0 "[ . 1 . 2]" 1
487 1 59 SER H 1 61 LEU H 3.900 . 6.000 4.263 4.022 4.421 . 0 0 "[ . 1 . 2]" 1
488 1 59 SER H 1 61 LEU QB 3.900 . 6.000 5.216 4.642 6.054 0.054 6 0 "[ . 1 . 2]" 1
489 1 59 SER H 1 62 ALA H 3.900 . 6.000 4.768 4.409 5.192 . 0 0 "[ . 1 . 2]" 1
490 1 59 SER H 1 62 ALA MB 3.900 . 6.000 4.586 4.270 5.189 . 0 0 "[ . 1 . 2]" 1
491 1 59 SER HA 1 60 GLN H 3.900 . 6.000 3.537 3.500 3.573 . 0 0 "[ . 1 . 2]" 1
492 1 59 SER HA 1 62 ALA H 2.700 . 3.600 3.580 3.470 3.674 0.074 18 0 "[ . 1 . 2]" 1
493 1 59 SER QB 1 60 GLN H 2.700 . 3.600 2.727 2.469 3.426 . 0 0 "[ . 1 . 2]" 1
494 1 60 GLN H 1 60 GLN HB2 2.250 . 2.700 2.244 2.082 2.440 . 0 0 "[ . 1 . 2]" 1
495 1 60 GLN H 1 60 GLN HB3 2.700 . 3.600 3.494 3.439 3.528 . 0 0 "[ . 1 . 2]" 1
496 1 60 GLN H 1 60 GLN HG2 2.250 . 2.700 2.373 1.934 2.712 0.012 7 0 "[ . 1 . 2]" 1
497 1 60 GLN H 1 60 GLN HG3 2.700 . 3.600 3.328 2.904 3.620 0.020 8 0 "[ . 1 . 2]" 1
498 1 60 GLN H 1 61 LEU H 2.250 . 2.700 2.651 2.577 2.718 0.018 7 0 "[ . 1 . 2]" 1
499 1 60 GLN H 1 61 LEU QB 3.900 . 6.000 4.563 4.355 4.907 . 0 0 "[ . 1 . 2]" 1
500 1 60 GLN H 1 62 ALA H 3.900 . 6.000 3.981 3.847 4.183 . 0 0 "[ . 1 . 2]" 1
501 1 60 GLN HA 1 61 LEU H 3.900 . 6.000 3.580 3.562 3.602 . 0 0 "[ . 1 . 2]" 1
502 1 60 GLN HA 1 63 LEU H 2.700 . 3.600 3.665 3.634 3.706 0.106 12 0 "[ . 1 . 2]" 1
503 1 60 GLN HA 1 64 GLU H 3.900 . 6.000 4.756 4.337 5.157 . 0 0 "[ . 1 . 2]" 1
504 1 60 GLN HB2 1 61 LEU H 2.700 . 3.600 2.524 2.409 2.700 . 0 0 "[ . 1 . 2]" 1
505 1 60 GLN HB3 1 61 LEU H 3.900 . 6.000 3.431 3.186 3.604 . 0 0 "[ . 1 . 2]" 1
506 1 60 GLN HE22 1 60 GLN HG3 2.700 . 3.600 3.564 3.504 3.659 0.059 3 0 "[ . 1 . 2]" 1
507 1 60 GLN HG2 1 61 LEU H 3.900 . 6.000 4.412 4.107 4.639 . 0 0 "[ . 1 . 2]" 1
508 1 60 GLN HG3 1 61 LEU H 3.900 . 6.000 4.771 4.515 4.983 . 0 0 "[ . 1 . 2]" 1
509 1 61 LEU H 1 61 LEU QB 2.250 . 2.700 2.337 2.166 2.553 . 0 0 "[ . 1 . 2]" 1
510 1 61 LEU H 1 61 LEU HG 2.700 . 3.600 2.398 1.841 3.601 0.001 12 0 "[ . 1 . 2]" 1
511 1 61 LEU H 1 62 ALA H 2.250 . 2.700 2.634 2.565 2.706 0.006 14 0 "[ . 1 . 2]" 1
512 1 61 LEU H 1 62 ALA MB 3.900 . 6.000 4.141 4.053 4.267 . 0 0 "[ . 1 . 2]" 1
513 1 61 LEU H 1 63 LEU HG 3.900 . 6.000 5.974 5.210 6.092 0.092 7 0 "[ . 1 . 2]" 1
514 1 61 LEU HA 1 62 ALA H 2.700 . 3.600 3.548 3.534 3.577 . 0 0 "[ . 1 . 2]" 1
515 1 61 LEU HA 1 63 LEU H 3.900 . 6.000 3.942 3.774 4.199 . 0 0 "[ . 1 . 2]" 1
516 1 61 LEU HA 1 64 GLU H 2.700 . 3.600 2.975 2.843 3.153 . 0 0 "[ . 1 . 2]" 1
517 1 61 LEU HA 1 65 LYS H 3.900 . 6.000 3.419 3.264 3.580 . 0 0 "[ . 1 . 2]" 1
518 1 61 LEU QB 1 62 ALA H 2.700 . 3.600 2.706 2.551 3.415 . 0 0 "[ . 1 . 2]" 1
519 1 61 LEU QB 1 63 LEU H 3.900 . 6.000 4.568 4.458 4.858 . 0 0 "[ . 1 . 2]" 1
520 1 61 LEU QB 1 65 LYS H 2.700 . 3.600 3.808 3.751 3.872 0.272 5 0 "[ . 1 . 2]" 1
521 1 61 LEU QD 1 62 ALA H 3.900 . 6.000 3.798 2.156 4.123 . 0 0 "[ . 1 . 2]" 1
522 1 61 LEU HG 1 62 ALA H 3.900 . 6.000 4.221 1.991 5.073 . 0 0 "[ . 1 . 2]" 1
523 1 62 ALA H 1 62 ALA HA 2.250 . 2.700 2.799 2.793 2.808 0.108 8 0 "[ . 1 . 2]" 1
524 1 62 ALA H 1 62 ALA MB 2.250 . 2.700 2.041 1.931 2.161 . 0 0 "[ . 1 . 2]" 1
525 1 62 ALA H 1 63 LEU H 2.250 . 2.700 2.716 2.664 2.747 0.047 19 0 "[ . 1 . 2]" 1
526 1 62 ALA H 1 63 LEU HB3 3.900 . 6.000 5.913 4.250 6.123 0.123 18 0 "[ . 1 . 2]" 1
527 1 62 ALA H 1 64 GLU H 3.900 . 6.000 4.329 4.162 4.472 . 0 0 "[ . 1 . 2]" 1
528 1 62 ALA H 1 64 GLU QB 3.900 . 6.000 5.196 4.765 5.997 . 0 0 "[ . 1 . 2]" 1
529 1 62 ALA H 1 65 LYS QD 3.900 . 6.000 4.816 2.741 5.853 . 0 0 "[ . 1 . 2]" 1
530 1 62 ALA HA 1 65 LYS H 2.700 . 3.600 3.589 3.419 3.643 0.043 3 0 "[ . 1 . 2]" 1
531 1 62 ALA MB 1 63 LEU H 2.250 . 2.700 2.585 2.325 2.709 0.009 1 0 "[ . 1 . 2]" 1
532 1 62 ALA MB 1 64 GLU H 3.900 . 6.000 4.659 4.486 4.741 . 0 0 "[ . 1 . 2]" 1
533 1 62 ALA MB 1 65 LYS H 3.900 . 6.000 4.669 4.553 4.727 . 0 0 "[ . 1 . 2]" 1
534 1 63 LEU H 1 63 LEU HA 2.250 . 2.700 2.865 2.845 2.878 0.178 5 0 "[ . 1 . 2]" 1
535 1 63 LEU H 1 63 LEU HB2 2.250 . 2.700 2.213 2.068 2.912 0.212 7 0 "[ . 1 . 2]" 1
536 1 63 LEU H 1 63 LEU HB3 2.700 . 3.600 3.286 1.840 3.494 . 0 0 "[ . 1 . 2]" 1
537 1 63 LEU H 1 63 LEU QD 2.700 . 3.600 3.229 2.990 3.562 . 0 0 "[ . 1 . 2]" 1
538 1 63 LEU H 1 63 LEU HG 2.700 . 3.600 2.610 2.033 3.689 0.089 8 0 "[ . 1 . 2]" 1
539 1 63 LEU H 1 64 GLU H 2.250 . 2.700 2.644 2.575 2.730 0.030 16 0 "[ . 1 . 2]" 1
540 1 63 LEU H 1 64 GLU HG2 3.900 . 6.000 5.083 3.945 6.031 0.031 20 0 "[ . 1 . 2]" 1
541 1 63 LEU H 1 65 LYS H 3.900 . 6.000 3.900 3.765 4.181 . 0 0 "[ . 1 . 2]" 1
542 1 63 LEU H 1 65 LYS QB 3.900 . 6.000 4.628 4.382 5.962 . 0 0 "[ . 1 . 2]" 1
543 1 63 LEU H 1 66 GLU QB 3.900 . 6.000 4.749 4.488 5.456 . 0 0 "[ . 1 . 2]" 1
544 1 63 LEU H 1 67 ILE HG13 3.900 . 6.000 6.050 5.931 6.103 0.103 10 0 "[ . 1 . 2]" 1
545 1 63 LEU HA 1 64 GLU H 3.900 . 6.000 3.577 3.547 3.597 . 0 0 "[ . 1 . 2]" 1
546 1 63 LEU HA 1 66 GLU H 2.700 . 3.600 3.707 3.601 3.812 0.212 16 0 "[ . 1 . 2]" 1
547 1 63 LEU HA 1 67 ILE H 3.900 . 6.000 3.847 3.297 4.538 . 0 0 "[ . 1 . 2]" 1
548 1 63 LEU HB2 1 64 GLU H 2.700 . 3.600 2.548 2.317 3.831 0.231 7 0 "[ . 1 . 2]" 1
549 1 63 LEU HB3 1 64 GLU H 2.700 . 3.600 3.110 2.569 3.429 . 0 0 "[ . 1 . 2]" 1
550 1 63 LEU QD 1 64 GLU H 3.900 . 6.000 3.848 3.121 3.974 . 0 0 "[ . 1 . 2]" 1
551 1 63 LEU HG 1 64 GLU H 3.900 . 6.000 4.213 2.205 4.543 . 0 0 "[ . 1 . 2]" 1
552 1 63 LEU HG 1 66 GLU H 3.900 . 6.000 5.935 5.531 6.072 0.072 1 0 "[ . 1 . 2]" 1
553 1 64 GLU H 1 64 GLU QB 2.700 . 3.600 2.257 1.997 2.562 . 0 0 "[ . 1 . 2]" 1
554 1 64 GLU H 1 64 GLU HG2 2.700 . 3.600 2.809 1.855 3.602 0.002 15 0 "[ . 1 . 2]" 1
555 1 64 GLU H 1 65 LYS H 2.700 . 3.600 2.649 2.527 2.801 . 0 0 "[ . 1 . 2]" 1
556 1 64 GLU H 1 65 LYS QB 3.900 . 6.000 4.310 4.099 5.089 . 0 0 "[ . 1 . 2]" 1
557 1 64 GLU H 1 67 ILE MD 3.900 . 6.000 5.694 5.123 6.040 0.040 17 0 "[ . 1 . 2]" 1
558 1 64 GLU H 1 68 ILE H 3.900 . 6.000 5.554 5.271 6.032 0.032 8 0 "[ . 1 . 2]" 1
559 1 64 GLU HA 1 65 LYS H 3.900 . 6.000 3.567 3.521 3.619 . 0 0 "[ . 1 . 2]" 1
560 1 64 GLU HA 1 67 ILE H 2.700 . 3.600 3.684 3.377 3.785 0.185 16 0 "[ . 1 . 2]" 1
561 1 64 GLU HA 1 68 ILE H 3.900 . 6.000 3.455 3.120 3.968 . 0 0 "[ . 1 . 2]" 1
562 1 64 GLU HG2 1 65 LYS H 3.900 . 6.000 4.181 1.938 5.120 . 0 0 "[ . 1 . 2]" 1
563 1 65 LYS H 1 65 LYS QB 2.250 . 2.700 2.022 1.943 2.588 . 0 0 "[ . 1 . 2]" 1
564 1 65 LYS H 1 65 LYS QD 2.250 . 2.700 2.581 1.919 2.784 0.084 1 0 "[ . 1 . 2]" 1
565 1 65 LYS H 1 66 GLU H 2.700 . 3.600 2.681 2.577 2.844 . 0 0 "[ . 1 . 2]" 1
566 1 65 LYS H 1 66 GLU QB 3.900 . 6.000 4.492 4.303 4.803 . 0 0 "[ . 1 . 2]" 1
567 1 65 LYS H 1 67 ILE MD 3.900 . 6.000 6.174 6.078 6.297 0.297 15 0 "[ . 1 . 2]" 1
568 1 65 LYS H 1 69 GLN H 3.900 . 6.000 5.620 5.464 5.784 . 0 0 "[ . 1 . 2]" 1
569 1 65 LYS HA 1 67 ILE H 3.900 . 6.000 4.539 4.076 4.734 . 0 0 "[ . 1 . 2]" 1
570 1 65 LYS HA 1 68 ILE H 2.700 . 3.600 3.682 3.373 3.795 0.195 20 0 "[ . 1 . 2]" 1
571 1 65 LYS HA 1 69 GLN H 3.900 . 6.000 3.467 3.194 3.684 . 0 0 "[ . 1 . 2]" 1
572 1 65 LYS QB 1 66 GLU H 2.700 . 3.600 2.692 2.503 3.466 . 0 0 "[ . 1 . 2]" 1
573 1 65 LYS QD 1 67 ILE H 3.900 . 6.000 5.859 5.459 6.060 0.060 8 0 "[ . 1 . 2]" 1
574 1 66 GLU H 1 66 GLU HA 2.250 . 2.700 2.867 2.833 2.893 0.193 19 0 "[ . 1 . 2]" 1
575 1 66 GLU H 1 66 GLU QB 2.250 . 2.700 2.179 1.939 2.340 . 0 0 "[ . 1 . 2]" 1
576 1 66 GLU H 1 66 GLU HG2 2.700 . 3.600 2.805 2.114 3.593 . 0 0 "[ . 1 . 2]" 1
577 1 66 GLU H 1 67 ILE H 2.250 . 2.700 2.609 2.501 2.734 0.034 1 0 "[ . 1 . 2]" 1
578 1 66 GLU H 1 67 ILE HB 3.900 . 6.000 4.783 4.499 5.096 . 0 0 "[ . 1 . 2]" 1
579 1 66 GLU H 1 67 ILE HG12 3.900 . 6.000 4.259 3.728 5.179 . 0 0 "[ . 1 . 2]" 1
580 1 66 GLU H 1 67 ILE HG13 3.900 . 6.000 5.072 3.895 5.851 . 0 0 "[ . 1 . 2]" 1
581 1 66 GLU H 1 68 ILE H 3.900 . 6.000 4.149 3.958 4.558 . 0 0 "[ . 1 . 2]" 1
582 1 66 GLU HA 1 69 GLN H 3.900 . 6.000 4.110 3.862 4.324 . 0 0 "[ . 1 . 2]" 1
583 1 66 GLU QB 1 67 ILE H 2.700 . 3.600 2.760 2.417 3.520 . 0 0 "[ . 1 . 2]" 1
584 1 66 GLU HG2 1 67 ILE H 3.900 . 6.000 4.064 1.911 5.050 . 0 0 "[ . 1 . 2]" 1
585 1 67 ILE H 1 67 ILE HB 2.250 . 2.700 2.428 2.257 2.640 . 0 0 "[ . 1 . 2]" 1
586 1 67 ILE H 1 67 ILE MD 2.700 . 3.600 3.217 2.818 3.586 . 0 0 "[ . 1 . 2]" 1
587 1 67 ILE H 1 67 ILE HG12 2.250 . 2.700 2.235 1.810 2.824 0.124 2 0 "[ . 1 . 2]" 1
588 1 67 ILE H 1 67 ILE HG13 2.700 . 3.600 3.002 1.774 3.671 0.071 3 0 "[ . 1 . 2]" 1
589 1 67 ILE H 1 67 ILE MG 2.700 . 3.600 3.682 3.664 3.698 0.098 16 0 "[ . 1 . 2]" 1
590 1 67 ILE H 1 68 ILE H 2.700 . 3.600 2.591 2.531 2.658 . 0 0 "[ . 1 . 2]" 1
591 1 67 ILE HA 1 68 ILE H 3.900 . 6.000 3.590 3.572 3.616 . 0 0 "[ . 1 . 2]" 1
592 1 67 ILE HA 1 70 ARG H 2.700 . 3.600 3.650 3.528 3.725 0.125 14 0 "[ . 1 . 2]" 1
593 1 67 ILE HA 1 71 ALA H 3.900 . 6.000 4.111 3.493 4.757 . 0 0 "[ . 1 . 2]" 1
594 1 67 ILE HB 1 68 ILE H 2.700 . 3.600 2.516 2.107 2.725 . 0 0 "[ . 1 . 2]" 1
595 1 67 ILE MD 1 68 ILE H 3.900 . 6.000 4.505 4.387 4.704 . 0 0 "[ . 1 . 2]" 1
596 1 67 ILE MD 1 71 ALA H 3.900 . 6.000 5.646 5.006 6.148 0.148 1 0 "[ . 1 . 2]" 1
597 1 67 ILE HG12 1 68 ILE H 3.900 . 6.000 4.305 3.997 4.674 . 0 0 "[ . 1 . 2]" 1
598 1 67 ILE MG 1 71 ALA H 3.900 . 6.000 4.173 3.546 4.644 . 0 0 "[ . 1 . 2]" 1
599 1 68 ILE H 1 68 ILE HB 2.250 . 2.700 2.303 2.215 2.479 . 0 0 "[ . 1 . 2]" 1
600 1 68 ILE H 1 68 ILE HG13 2.250 . 2.700 2.245 1.901 2.373 . 0 0 "[ . 1 . 2]" 1
601 1 68 ILE H 1 71 ALA MB 3.900 . 6.000 4.888 4.366 5.429 . 0 0 "[ . 1 . 2]" 1
602 1 68 ILE HA 1 69 GLN H 2.700 . 3.600 3.576 3.560 3.595 . 0 0 "[ . 1 . 2]" 1
603 1 68 ILE HA 1 71 ALA H 2.700 . 3.600 3.657 3.564 3.712 0.112 1 0 "[ . 1 . 2]" 1
604 1 68 ILE HA 1 72 LEU H 3.900 . 6.000 3.910 3.351 4.239 . 0 0 "[ . 1 . 2]" 1
605 1 68 ILE HG13 1 69 GLN H 3.900 . 6.000 4.345 4.163 4.501 . 0 0 "[ . 1 . 2]" 1
606 1 68 ILE MG 1 69 GLN H 2.700 . 3.600 3.134 2.848 3.472 . 0 0 "[ . 1 . 2]" 1
607 1 69 GLN H 1 69 GLN HB2 2.700 . 3.600 2.655 2.085 3.540 . 0 0 "[ . 1 . 2]" 1
608 1 69 GLN H 1 69 GLN HB3 2.700 . 3.600 3.073 2.180 3.524 . 0 0 "[ . 1 . 2]" 1
609 1 69 GLN H 1 69 GLN QG 2.250 . 2.700 2.366 1.869 2.709 0.009 2 0 "[ . 1 . 2]" 1
610 1 69 GLN HA 1 70 ARG H 2.700 . 3.600 3.570 3.549 3.590 . 0 0 "[ . 1 . 2]" 1
611 1 69 GLN HA 1 71 ALA H 3.900 . 6.000 4.642 4.475 4.842 . 0 0 "[ . 1 . 2]" 1
612 1 69 GLN HB2 1 70 ARG H 3.900 . 6.000 3.041 2.408 4.024 . 0 0 "[ . 1 . 2]" 1
613 1 69 GLN HB3 1 70 ARG H 3.900 . 6.000 3.506 3.088 3.951 . 0 0 "[ . 1 . 2]" 1
614 1 69 GLN QG 1 70 ARG H 3.900 . 6.000 3.370 1.764 4.387 0.036 16 0 "[ . 1 . 2]" 1
615 1 70 ARG H 1 70 ARG HA 2.250 . 2.700 2.831 2.806 2.859 0.159 11 0 "[ . 1 . 2]" 1
616 1 70 ARG H 1 70 ARG QB 2.250 . 2.700 1.977 1.914 2.157 . 0 0 "[ . 1 . 2]" 1
617 1 70 ARG H 1 70 ARG QD 3.900 . 6.000 4.178 3.329 4.804 . 0 0 "[ . 1 . 2]" 1
618 1 70 ARG H 1 70 ARG QG 2.700 . 3.600 3.222 2.357 3.753 0.153 4 0 "[ . 1 . 2]" 1
619 1 70 ARG H 1 72 LEU H 3.900 . 6.000 4.369 4.230 4.476 . 0 0 "[ . 1 . 2]" 1
620 1 70 ARG H 1 73 GLU HB3 3.900 . 6.000 5.865 4.500 6.111 0.111 14 0 "[ . 1 . 2]" 1
621 1 70 ARG HA 1 71 ALA H 2.700 . 3.600 3.592 3.566 3.611 0.011 1 0 "[ . 1 . 2]" 1
622 1 70 ARG QB 1 71 ALA H 2.700 . 3.600 2.557 2.420 2.678 . 0 0 "[ . 1 . 2]" 1
623 1 70 ARG QG 1 71 ALA H 3.900 . 6.000 4.084 2.624 4.438 . 0 0 "[ . 1 . 2]" 1
624 1 70 ARG QG 1 74 ASN H 3.900 . 6.000 5.024 4.084 5.590 . 0 0 "[ . 1 . 2]" 1
625 1 71 ALA H 1 71 ALA HA 2.250 . 2.700 2.859 2.838 2.876 0.176 6 0 "[ . 1 . 2]" 1
626 1 71 ALA H 1 71 ALA MB 2.250 . 2.700 2.024 1.909 2.137 . 0 0 "[ . 1 . 2]" 1
627 1 71 ALA H 1 72 LEU H 2.250 . 2.700 2.722 2.657 2.768 0.068 16 0 "[ . 1 . 2]" 1
628 1 71 ALA H 1 72 LEU HG 3.900 . 6.000 4.404 4.133 4.808 . 0 0 "[ . 1 . 2]" 1
629 1 71 ALA H 1 73 GLU H 3.900 . 6.000 4.053 3.930 4.244 . 0 0 "[ . 1 . 2]" 1
630 1 71 ALA H 1 74 ASN H 3.900 . 6.000 4.657 4.498 4.802 . 0 0 "[ . 1 . 2]" 1
631 1 71 ALA H 1 75 TYR H 3.900 . 6.000 5.891 5.691 6.049 0.049 2 0 "[ . 1 . 2]" 1
632 1 71 ALA HA 1 72 LEU H 3.900 . 6.000 3.571 3.560 3.580 . 0 0 "[ . 1 . 2]" 1
633 1 71 ALA HA 1 74 ASN H 2.700 . 3.600 3.628 3.581 3.681 0.081 1 0 "[ . 1 . 2]" 1
634 1 71 ALA HA 1 74 ASN HD22 3.900 . 6.000 5.501 4.540 5.979 . 0 0 "[ . 1 . 2]" 1
635 1 71 ALA MB 1 72 LEU H 2.700 . 3.600 2.377 2.255 2.489 . 0 0 "[ . 1 . 2]" 1
636 1 71 ALA MB 1 73 GLU H 3.900 . 6.000 4.375 4.300 4.537 . 0 0 "[ . 1 . 2]" 1
637 1 71 ALA MB 1 74 ASN H 3.900 . 6.000 4.699 4.652 4.739 . 0 0 "[ . 1 . 2]" 1
638 1 72 LEU H 1 72 LEU HA 2.250 . 2.700 2.835 2.810 2.854 0.154 15 0 "[ . 1 . 2]" 1
639 1 72 LEU H 1 72 LEU HB2 2.250 . 2.700 2.310 2.186 2.397 . 0 0 "[ . 1 . 2]" 1
640 1 72 LEU H 1 72 LEU HB3 2.700 . 3.600 3.503 3.484 3.516 . 0 0 "[ . 1 . 2]" 1
641 1 72 LEU H 1 72 LEU MD1 2.700 . 3.600 3.416 3.017 3.611 0.011 13 0 "[ . 1 . 2]" 1
642 1 72 LEU H 1 72 LEU MD2 2.700 . 3.600 3.325 2.826 3.633 0.033 18 0 "[ . 1 . 2]" 1
643 1 72 LEU H 1 72 LEU HG 2.250 . 2.700 2.122 1.932 2.409 . 0 0 "[ . 1 . 2]" 1
644 1 72 LEU H 1 73 GLU H 2.700 . 3.600 2.701 2.620 2.857 . 0 0 "[ . 1 . 2]" 1
645 1 72 LEU H 1 73 GLU HB2 3.900 . 6.000 4.625 4.339 5.499 . 0 0 "[ . 1 . 2]" 1
646 1 72 LEU H 1 79 VAL QG 3.900 . 6.000 5.826 5.260 6.020 0.020 11 0 "[ . 1 . 2]" 1
647 1 72 LEU HA 1 75 TYR H 3.900 . 6.000 3.532 3.368 3.640 . 0 0 "[ . 1 . 2]" 1
648 1 72 LEU HB2 1 73 GLU H 2.700 . 3.600 2.611 2.473 2.709 . 0 0 "[ . 1 . 2]" 1
649 1 72 LEU HB2 1 74 ASN H 3.900 . 6.000 5.052 4.934 5.143 . 0 0 "[ . 1 . 2]" 1
650 1 72 LEU HB3 1 73 GLU H 2.700 . 3.600 3.582 3.452 3.672 0.072 3 0 "[ . 1 . 2]" 1
651 1 72 LEU HB3 1 77 ALA H 3.900 . 6.000 3.722 3.337 4.080 . 0 0 "[ . 1 . 2]" 1
652 1 72 LEU HB3 1 79 VAL H 3.900 . 6.000 4.928 4.316 5.427 . 0 0 "[ . 1 . 2]" 1
653 1 72 LEU MD1 1 73 GLU H 3.900 . 6.000 4.533 4.210 4.665 . 0 0 "[ . 1 . 2]" 1
654 1 72 LEU HG 1 73 GLU H 3.900 . 6.000 4.330 4.168 4.515 . 0 0 "[ . 1 . 2]" 1
655 1 73 GLU H 1 73 GLU HA 2.250 . 2.700 2.862 2.846 2.868 0.168 20 0 "[ . 1 . 2]" 1
656 1 73 GLU H 1 73 GLU HB2 2.250 . 2.700 2.179 1.958 2.826 0.126 17 0 "[ . 1 . 2]" 1
657 1 73 GLU H 1 73 GLU HB3 2.700 . 3.600 3.130 1.895 3.487 . 0 0 "[ . 1 . 2]" 1
658 1 73 GLU H 1 73 GLU HG2 2.700 . 3.600 3.288 2.518 3.842 0.242 5 0 "[ . 1 . 2]" 1
659 1 73 GLU H 1 74 ASN H 2.250 . 2.700 2.584 2.525 2.633 . 0 0 "[ . 1 . 2]" 1
660 1 73 GLU H 1 74 ASN HA 3.900 . 6.000 5.239 5.193 5.279 . 0 0 "[ . 1 . 2]" 1
661 1 73 GLU H 1 75 TYR H 2.700 . 3.600 3.850 3.817 3.893 0.293 20 0 "[ . 1 . 2]" 1
662 1 73 GLU HA 1 74 ASN H 2.700 . 3.600 3.554 3.522 3.568 . 0 0 "[ . 1 . 2]" 1
663 1 73 GLU HA 1 76 GLY H 3.900 . 6.000 3.236 3.028 3.426 . 0 0 "[ . 1 . 2]" 1
664 1 73 GLU HA 1 77 ALA H 2.700 . 3.600 3.638 3.590 3.679 0.079 5 0 "[ . 1 . 2]" 1
665 1 73 GLU HB2 1 74 ASN H 2.700 . 3.600 2.890 2.461 3.844 0.244 2 0 "[ . 1 . 2]" 1
666 1 73 GLU HB3 1 74 ASN H 2.700 . 3.600 2.977 2.498 3.341 . 0 0 "[ . 1 . 2]" 1
667 1 73 GLU HG2 1 74 ASN H 3.900 . 6.000 4.412 2.507 4.973 . 0 0 "[ . 1 . 2]" 1
668 1 73 GLU HG3 1 74 ASN H 3.900 . 6.000 4.700 3.597 5.053 . 0 0 "[ . 1 . 2]" 1
669 1 74 ASN H 1 74 ASN HA 2.250 . 2.700 2.836 2.826 2.850 0.150 14 0 "[ . 1 . 2]" 1
670 1 74 ASN H 1 74 ASN HB2 2.250 . 2.700 2.072 1.935 2.209 . 0 0 "[ . 1 . 2]" 1
671 1 74 ASN H 1 74 ASN HB3 2.700 . 3.600 3.071 2.653 3.478 . 0 0 "[ . 1 . 2]" 1
672 1 74 ASN H 1 74 ASN HD22 3.900 . 6.000 4.944 4.028 5.678 . 0 0 "[ . 1 . 2]" 1
673 1 74 ASN H 1 75 TYR H 2.250 . 2.700 2.622 2.581 2.678 . 0 0 "[ . 1 . 2]" 1
674 1 74 ASN H 1 75 TYR QD 3.900 . 6.000 5.772 5.631 5.918 . 0 0 "[ . 1 . 2]" 1
675 1 74 ASN H 1 76 GLY H 3.900 . 6.000 3.992 3.772 4.147 . 0 0 "[ . 1 . 2]" 1
676 1 74 ASN HA 1 75 TYR H 2.700 . 3.600 3.550 3.538 3.563 . 0 0 "[ . 1 . 2]" 1
677 1 74 ASN HA 1 76 GLY H 3.900 . 6.000 4.394 3.968 4.781 . 0 0 "[ . 1 . 2]" 1
678 1 74 ASN HB2 1 74 ASN HD22 2.700 . 3.600 3.565 3.511 3.627 0.027 11 0 "[ . 1 . 2]" 1
679 1 74 ASN HB2 1 75 TYR H 2.700 . 3.600 3.212 2.666 3.668 0.068 19 0 "[ . 1 . 2]" 1
680 1 75 TYR H 1 75 TYR HB2 2.700 . 3.600 2.091 1.973 2.881 . 0 0 "[ . 1 . 2]" 1
681 1 75 TYR H 1 75 TYR HB3 2.250 . 2.700 2.820 2.120 2.938 0.238 14 0 "[ . 1 . 2]" 1
682 1 75 TYR H 1 75 TYR QD 2.700 . 3.600 3.704 3.636 3.854 0.254 19 0 "[ . 1 . 2]" 1
683 1 75 TYR H 1 75 TYR QE 3.900 . 6.000 5.848 5.788 5.980 . 0 0 "[ . 1 . 2]" 1
684 1 75 TYR H 1 76 GLY H 2.700 . 3.600 2.503 2.450 2.558 . 0 0 "[ . 1 . 2]" 1
685 1 75 TYR H 1 77 ALA H 3.900 . 6.000 3.846 3.651 4.094 . 0 0 "[ . 1 . 2]" 1
686 1 75 TYR HA 1 76 GLY H 2.700 . 3.600 3.530 3.447 3.572 . 0 0 "[ . 1 . 2]" 1
687 1 75 TYR HB2 1 76 GLY H 3.900 . 6.000 3.522 3.272 4.098 . 0 0 "[ . 1 . 2]" 1
688 1 75 TYR HB2 1 77 ALA H 3.900 . 6.000 4.097 3.865 4.831 . 0 0 "[ . 1 . 2]" 1
689 1 75 TYR HB3 1 76 GLY H 3.900 . 6.000 2.835 2.588 3.227 . 0 0 "[ . 1 . 2]" 1
690 1 75 TYR HB3 1 77 ALA H 3.900 . 6.000 2.844 2.552 3.212 . 0 0 "[ . 1 . 2]" 1
691 1 76 GLY H 1 76 GLY HA3 2.250 . 2.700 2.951 2.918 2.957 0.257 11 0 "[ . 1 . 2]" 1
692 1 76 GLY H 1 77 ALA H 2.250 . 2.700 2.035 1.930 2.297 . 0 0 "[ . 1 . 2]" 1
693 1 76 GLY H 1 77 ALA MB 3.900 . 6.000 3.753 3.536 3.962 . 0 0 "[ . 1 . 2]" 1
694 1 76 GLY HA2 1 77 ALA H 2.700 . 3.600 3.138 2.927 3.310 . 0 0 "[ . 1 . 2]" 1
695 1 76 GLY HA3 1 77 ALA H 2.700 . 3.600 3.411 3.281 3.516 . 0 0 "[ . 1 . 2]" 1
696 1 77 ALA H 1 78 ARG H 3.900 . 6.000 4.472 4.339 4.567 . 0 0 "[ . 1 . 2]" 1
697 1 77 ALA H 1 78 ARG HB2 3.900 . 6.000 5.507 5.129 6.006 0.006 17 0 "[ . 1 . 2]" 1
698 1 77 ALA HA 1 78 ARG H 2.700 . 3.600 2.220 2.203 2.245 . 0 0 "[ . 1 . 2]" 1
699 1 77 ALA MB 1 78 ARG H 2.700 . 3.600 3.260 3.055 3.458 . 0 0 "[ . 1 . 2]" 1
700 1 78 ARG H 1 78 ARG QB 2.700 . 3.600 2.327 2.215 2.422 . 0 0 "[ . 1 . 2]" 1
701 1 78 ARG H 1 79 VAL H 3.900 . 6.000 4.461 4.320 4.545 . 0 0 "[ . 1 . 2]" 1
702 1 78 ARG HA 1 79 VAL H 2.250 . 2.700 2.268 2.218 2.431 . 0 0 "[ . 1 . 2]" 1
703 1 78 ARG QB 1 79 VAL H 3.900 . 6.000 3.504 2.735 3.898 . 0 0 "[ . 1 . 2]" 1
704 1 79 VAL H 1 79 VAL HB 2.250 . 2.700 2.664 2.581 2.750 0.050 2 0 "[ . 1 . 2]" 1
705 1 79 VAL H 1 79 VAL QG 2.250 . 2.700 1.936 1.825 2.113 . 0 0 "[ . 1 . 2]" 1
706 1 79 VAL H 1 81 LYS QG 3.900 . 6.000 6.120 6.046 6.191 0.191 5 0 "[ . 1 . 2]" 1
707 1 79 VAL HA 1 80 GLU H 2.250 . 2.700 2.202 2.178 2.219 . 0 0 "[ . 1 . 2]" 1
708 1 79 VAL HA 1 81 LYS H 2.700 . 3.600 3.459 3.381 3.544 . 0 0 "[ . 1 . 2]" 1
709 1 79 VAL HB 1 81 LYS H 2.700 . 3.600 3.641 3.616 3.676 0.076 2 0 "[ . 1 . 2]" 1
710 1 79 VAL QG 1 80 GLU H 2.700 . 3.600 2.795 2.627 2.978 . 0 0 "[ . 1 . 2]" 1
711 1 79 VAL QG 1 81 LYS H 2.250 . 2.700 2.025 1.851 2.251 . 0 0 "[ . 1 . 2]" 1
712 1 79 VAL QG 1 82 VAL H 3.900 . 6.000 4.588 4.385 4.749 . 0 0 "[ . 1 . 2]" 1
713 1 80 GLU H 1 80 GLU HB2 2.700 . 3.600 3.143 1.952 3.553 . 0 0 "[ . 1 . 2]" 1
714 1 80 GLU H 1 80 GLU HB3 2.700 . 3.600 2.172 1.938 3.098 . 0 0 "[ . 1 . 2]" 1
715 1 80 GLU H 1 80 GLU HG2 2.700 . 3.600 3.375 2.315 3.677 0.077 17 0 "[ . 1 . 2]" 1
716 1 80 GLU H 1 81 LYS H 2.250 . 2.700 2.421 2.322 2.489 . 0 0 "[ . 1 . 2]" 1
717 1 80 GLU HA 1 81 LYS H 3.900 . 6.000 3.394 3.366 3.432 . 0 0 "[ . 1 . 2]" 1
718 1 81 LYS H 1 81 LYS HB2 2.700 . 3.600 3.713 3.686 3.733 0.133 11 0 "[ . 1 . 2]" 1
719 1 81 LYS H 1 81 LYS HB3 2.250 . 2.700 2.841 2.779 2.898 0.198 2 0 "[ . 1 . 2]" 1
720 1 81 LYS H 1 81 LYS QG 2.700 . 3.600 1.957 1.863 2.102 . 0 0 "[ . 1 . 2]" 1
721 1 81 LYS HA 1 82 VAL H 2.250 . 2.700 2.295 2.238 2.369 . 0 0 "[ . 1 . 2]" 1
722 1 81 LYS HB2 1 82 VAL H 2.700 . 3.600 3.158 2.789 3.531 . 0 0 "[ . 1 . 2]" 1
723 1 81 LYS QD 1 82 VAL H 2.700 . 3.600 3.325 2.834 3.633 0.033 2 0 "[ . 1 . 2]" 1
724 1 82 VAL H 1 82 VAL HB 2.700 . 3.600 3.015 2.568 3.710 0.110 4 0 "[ . 1 . 2]" 1
725 1 82 VAL H 1 82 VAL QG 2.700 . 3.600 2.433 1.849 3.085 . 0 0 "[ . 1 . 2]" 1
726 1 82 VAL HA 1 83 GLU H 2.250 . 2.700 2.255 2.232 2.269 . 0 0 "[ . 1 . 2]" 1
727 1 82 VAL QG 1 83 GLU H 2.700 . 3.600 3.186 3.005 3.677 0.077 16 0 "[ . 1 . 2]" 1
728 1 83 GLU H 1 83 GLU QB 2.700 . 3.600 2.427 2.333 2.606 . 0 0 "[ . 1 . 2]" 1
729 1 83 GLU HA 1 84 GLU H 2.250 . 2.700 2.237 2.205 2.259 . 0 0 "[ . 1 . 2]" 1
730 1 84 GLU H 1 84 GLU HA 2.250 . 2.700 2.945 2.908 2.956 0.256 4 0 "[ . 1 . 2]" 1
731 1 84 GLU H 1 84 GLU QB 2.700 . 3.600 2.376 2.067 2.793 . 0 0 "[ . 1 . 2]" 1
732 1 84 GLU H 1 85 LEU H 3.900 . 6.000 4.233 3.995 4.505 . 0 0 "[ . 1 . 2]" 1
733 1 84 GLU QB 1 85 LEU H 3.900 . 6.000 3.731 3.435 4.050 . 0 0 "[ . 1 . 2]" 1
734 1 85 LEU H 1 85 LEU HB2 2.700 . 3.600 2.681 1.951 3.756 0.156 20 0 "[ . 1 . 2]" 1
735 1 85 LEU H 1 85 LEU MD1 3.900 . 6.000 3.073 1.869 3.984 . 0 0 "[ . 1 . 2]" 1
736 1 85 LEU H 1 85 LEU MD2 3.900 . 6.000 3.374 1.882 4.455 . 0 0 "[ . 1 . 2]" 1
737 1 85 LEU H 1 85 LEU HG 2.700 . 3.600 2.823 1.857 3.657 0.057 8 0 "[ . 1 . 2]" 1
738 1 85 LEU HA 1 86 GLY H 3.900 . 6.000 3.073 2.169 3.580 . 0 0 "[ . 1 . 2]" 1
739 1 85 LEU HB2 1 86 GLY H 3.900 . 6.000 3.060 1.869 4.228 . 0 0 "[ . 1 . 2]" 1
740 1 85 LEU HB3 1 86 GLY H 3.900 . 6.000 3.496 2.314 4.384 . 0 0 "[ . 1 . 2]" 1
741 1 86 GLY H 1 87 LEU H 3.900 . 6.000 3.895 2.304 4.686 . 0 0 "[ . 1 . 2]" 1
742 1 86 GLY HA2 1 87 LEU H 2.250 . 2.700 2.436 2.180 2.762 0.062 11 0 "[ . 1 . 2]" 1
743 1 86 GLY HA3 1 87 LEU H 2.700 . 3.600 3.106 2.458 3.585 . 0 0 "[ . 1 . 2]" 1
744 1 87 LEU H 1 87 LEU HA 2.250 . 2.700 2.831 2.747 2.955 0.255 17 0 "[ . 1 . 2]" 1
745 1 87 LEU H 1 87 LEU HB3 2.700 . 3.600 3.035 2.280 3.622 0.022 6 0 "[ . 1 . 2]" 1
746 1 87 LEU H 1 87 LEU QD 2.700 . 3.600 3.236 1.963 3.647 0.047 11 0 "[ . 1 . 2]" 1
747 1 87 LEU H 1 88 ARG H 3.900 . 6.000 3.696 2.037 4.712 . 0 0 "[ . 1 . 2]" 1
748 1 87 LEU HA 1 88 ARG H 2.250 . 2.700 2.509 2.215 2.805 0.105 6 0 "[ . 1 . 2]" 1
749 1 87 LEU HB2 1 88 ARG H 3.900 . 6.000 4.003 2.742 4.689 . 0 0 "[ . 1 . 2]" 1
750 1 87 LEU HB3 1 88 ARG H 3.900 . 6.000 4.123 1.851 4.657 . 0 0 "[ . 1 . 2]" 1
751 1 87 LEU QD 1 88 ARG H 2.700 . 3.600 3.288 1.842 3.621 0.021 1 0 "[ . 1 . 2]" 1
752 1 88 ARG H 1 88 ARG HA 2.250 . 2.700 2.929 2.869 2.969 0.269 18 0 "[ . 1 . 2]" 1
753 1 88 ARG H 1 89 ARG H 3.900 . 6.000 4.536 4.296 4.644 . 0 0 "[ . 1 . 2]" 1
754 1 88 ARG HA 1 89 ARG H 2.250 . 2.700 2.363 2.213 2.614 . 0 0 "[ . 1 . 2]" 1
755 1 88 ARG QB 1 89 ARG H 3.900 . 6.000 3.111 2.232 3.827 . 0 0 "[ . 1 . 2]" 1
756 1 89 ARG H 1 89 ARG QB 2.250 . 2.700 2.529 2.043 2.785 0.085 8 0 "[ . 1 . 2]" 1
757 1 89 ARG H 1 89 ARG QD 3.900 . 6.000 3.997 2.049 4.988 . 0 0 "[ . 1 . 2]" 1
758 1 89 ARG H 1 89 ARG QG 2.700 . 3.600 2.913 1.866 3.624 0.024 14 0 "[ . 1 . 2]" 1
759 1 89 ARG H 1 90 LEU HB3 3.900 . 6.000 5.541 3.806 6.087 0.087 8 0 "[ . 1 . 2]" 1
760 1 89 ARG HA 1 90 LEU H 2.250 . 2.700 2.418 2.205 2.964 0.264 19 0 "[ . 1 . 2]" 1
761 1 89 ARG QB 1 90 LEU H 2.700 . 3.600 3.623 3.242 3.771 0.171 1 0 "[ . 1 . 2]" 1
762 1 89 ARG QB 1 91 ALA H 3.900 . 6.000 5.003 3.995 5.916 . 0 0 "[ . 1 . 2]" 1
763 1 90 LEU H 1 90 LEU HB2 2.700 . 3.600 2.770 1.959 3.568 . 0 0 "[ . 1 . 2]" 1
764 1 90 LEU H 1 90 LEU HB3 2.700 . 3.600 2.809 2.053 3.449 . 0 0 "[ . 1 . 2]" 1
765 1 90 LEU H 1 91 ALA H 3.900 . 6.000 4.078 3.072 4.650 . 0 0 "[ . 1 . 2]" 1
766 1 90 LEU HA 1 91 ALA H 2.250 . 2.700 2.323 2.204 2.749 0.049 19 0 "[ . 1 . 2]" 1
767 1 90 LEU QB 1 91 ALA H 3.900 . 6.000 3.786 2.933 4.069 . 0 0 "[ . 1 . 2]" 1
768 1 90 LEU QD 1 91 ALA H 3.900 . 6.000 3.282 1.954 4.203 . 0 0 "[ . 1 . 2]" 1
769 1 90 LEU HG 1 91 ALA H 3.900 . 6.000 4.039 2.363 5.947 . 0 0 "[ . 1 . 2]" 1
770 1 91 ALA H 1 91 ALA MB 2.250 . 2.700 2.385 1.990 2.733 0.033 8 0 "[ . 1 . 2]" 1
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