NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
382219 |
1je3   |
5059 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1je3
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 571
_Distance_constraint_stats_list.Viol_count 1118
_Distance_constraint_stats_list.Viol_total 1987.162
_Distance_constraint_stats_list.Viol_max 0.993
_Distance_constraint_stats_list.Viol_rms 0.0531
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0889
_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 25 VAL 0.371 0.094 17 0 "[ . 1 . 2]"
1 27 ASP 6.418 0.990 12 5 "[ -.* 1 + . **]"
1 28 TYR 0.115 0.089 9 0 "[ . 1 . 2]"
1 29 ARG 0.503 0.077 19 0 "[ . 1 . 2]"
1 30 LEU 4.524 0.534 14 1 "[ . 1 +. 2]"
1 31 ASP 0.044 0.027 12 0 "[ . 1 . 2]"
1 32 MET 2.309 0.534 6 1 "[ .+ 1 . 2]"
1 33 VAL 3.565 0.335 18 0 "[ . 1 . 2]"
1 34 GLY 1.366 0.321 16 0 "[ . 1 . 2]"
1 35 GLU 3.348 0.849 17 2 "[ - . 1 . + 2]"
1 36 PRO 2.232 0.849 17 2 "[ - . 1 . + 2]"
1 37 CYS 0.041 0.021 9 0 "[ . 1 . 2]"
1 41 ALA 4.980 0.497 20 0 "[ . 1 . 2]"
1 42 VAL 5.886 0.723 6 7 "[ ** .+ *1 -*. * 2]"
1 43 ALA 1.633 0.099 13 0 "[ . 1 . 2]"
1 44 THR 2.805 0.197 16 0 "[ . 1 . 2]"
1 45 LEU 0.289 0.043 16 0 "[ . 1 . 2]"
1 46 GLU 2.195 0.976 4 2 "[ +. - 1 . 2]"
1 47 ALA 2.410 0.976 4 2 "[ +. - 1 . 2]"
1 48 MET 0.752 0.166 19 0 "[ . 1 . 2]"
1 50 GLN 0.295 0.112 17 0 "[ . 1 . 2]"
1 51 LEU 4.593 0.641 4 2 "[ +.- 1 . 2]"
1 52 LYS 5.421 0.993 6 3 "[ *.+- 1 . 2]"
1 54 GLY 4.267 0.549 7 1 "[ . + 1 . 2]"
1 55 GLU 8.906 0.993 6 6 "[ *-+* 1 * . *]"
1 56 ILE 4.968 0.325 20 0 "[ . 1 . 2]"
1 57 LEU 13.578 0.815 10 5 "[ . + - *. **]"
1 58 GLU 12.507 0.815 10 5 "[ . + * *. -*]"
1 59 VAL 1.720 0.368 9 0 "[ . 1 . 2]"
1 60 VAL 0.199 0.045 16 0 "[ . 1 . 2]"
1 61 SER 0.060 0.031 15 0 "[ . 1 . 2]"
1 62 ASP 1.802 0.321 16 0 "[ . 1 . 2]"
1 63 CYS 1.373 0.502 15 1 "[ . 1 + 2]"
1 64 PRO 0.502 0.502 15 1 "[ . 1 + 2]"
1 66 SER 0.250 0.192 15 0 "[ . 1 . 2]"
1 67 ILE 0.297 0.095 12 0 "[ . 1 . 2]"
1 68 ASN 1.020 0.443 1 0 "[ . 1 . 2]"
1 69 ASN 0.384 0.130 20 0 "[ . 1 . 2]"
1 70 ILE 3.611 0.534 14 1 "[ . 1 +. 2]"
1 72 LEU 3.176 0.497 20 0 "[ . 1 . 2]"
1 73 ASP 0.679 0.202 20 0 "[ . 1 . 2]"
1 74 ALA 0.552 0.056 15 0 "[ . 1 . 2]"
1 75 ARG 1.967 0.883 18 1 "[ . 1 . + 2]"
1 76 ASN 0.139 0.031 13 0 "[ . 1 . 2]"
1 77 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 GLY 1.519 0.883 18 1 "[ . 1 . + 2]"
1 79 TYR 2.009 0.398 5 0 "[ . 1 . 2]"
1 80 THR 1.491 0.398 5 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 3.263 0.161 18 0 "[ . 1 . 2]"
1 83 ASP 3.481 0.501 14 1 "[ . 1 +. 2]"
1 84 ILE 4.827 0.501 14 1 "[ . 1 +. 2]"
1 85 GLN 0.283 0.221 10 0 "[ . 1 . 2]"
1 86 GLN 2.252 0.522 12 1 "[ . 1 + . 2]"
1 87 ASP 0.935 0.058 17 0 "[ . 1 . 2]"
1 90 THR 1.405 0.058 17 0 "[ . 1 . 2]"
1 91 ILE 4.739 0.522 12 1 "[ . 1 + . 2]"
1 92 ARG 4.323 0.600 2 4 "[ + . * 1 - .* 2]"
1 93 TYR 1.457 0.086 20 0 "[ . 1 . 2]"
1 94 LEU 2.108 0.101 18 0 "[ . 1 . 2]"
1 95 ILE 7.680 0.733 20 2 "[ . 1 - . +]"
1 96 GLN 7.666 0.247 5 0 "[ . 1 . 2]"
1 97 LYS 9.662 0.549 7 2 "[ - + 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 25 VAL HA 1 27 ASP H 3.000 . 5.500 4.988 2.790 5.594 0.094 17 0 "[ . 1 . 2]" 1
2 1 25 VAL HA 1 55 GLU HB2 2.500 . 5.500 5.355 4.623 5.543 0.043 11 0 "[ . 1 . 2]" 1
3 1 25 VAL HB 1 27 ASP H 2.800 . 5.500 4.810 2.917 5.561 0.061 9 0 "[ . 1 . 2]" 1
4 1 27 ASP H 1 27 ASP HA 2.600 . 3.400 2.580 2.253 2.917 . 0 0 "[ . 1 . 2]" 1
5 1 27 ASP H 1 27 ASP QB 2.900 . 4.000 2.544 2.084 3.159 . 0 0 "[ . 1 . 2]" 1
6 1 27 ASP H 1 28 TYR H 2.500 . 3.300 3.118 2.885 3.389 0.089 9 0 "[ . 1 . 2]" 1
7 1 27 ASP H 1 55 GLU HB2 2.800 . 5.500 4.707 3.229 6.490 0.990 12 4 "[ -.* 1 + . *]" 1
8 1 27 ASP H 1 55 GLU QG 3.000 . 5.500 4.380 3.038 5.195 . 0 0 "[ . 1 . 2]" 1
9 1 27 ASP H 1 56 ILE H 3.200 . 4.000 2.238 1.803 2.730 . 0 0 "[ . 1 . 2]" 1
10 1 27 ASP H 1 56 ILE HB 3.200 . 4.000 3.203 2.916 3.705 . 0 0 "[ . 1 . 2]" 1
11 1 27 ASP H 1 56 ILE MG 3.100 . 4.300 3.416 2.970 4.338 0.038 9 0 "[ . 1 . 2]" 1
12 1 27 ASP H 1 57 LEU QB 4.000 . 5.000 4.658 3.821 5.102 0.102 11 0 "[ . 1 . 2]" 1
13 1 27 ASP H 1 57 LEU MD1 3.000 . 4.100 4.055 3.799 4.194 0.094 10 0 "[ . 1 . 2]" 1
14 1 27 ASP H 1 58 GLU HG3 2.900 . 5.500 5.598 5.351 6.300 0.800 19 1 "[ . 1 . +2]" 1
15 1 27 ASP HA 1 57 LEU MD1 5.500 . 5.500 4.308 3.174 4.850 . 0 0 "[ . 1 . 2]" 1
16 1 27 ASP QB 1 28 TYR H 3.100 . 5.500 2.820 1.707 4.050 . 0 0 "[ . 1 . 2]" 1
17 1 27 ASP QB 1 55 GLU HA 5.500 . 5.500 4.317 3.192 5.377 . 0 0 "[ . 1 . 2]" 1
18 1 27 ASP QB 1 56 ILE H 4.000 . 4.500 3.082 1.896 4.323 0.004 13 0 "[ . 1 . 2]" 1
19 1 28 TYR H 1 28 TYR HB3 3.000 . 4.100 3.315 2.656 3.835 . 0 0 "[ . 1 . 2]" 1
20 1 28 TYR H 1 57 LEU HA 3.200 . 4.000 2.466 1.832 2.896 . 0 0 "[ . 1 . 2]" 1
21 1 28 TYR H 1 57 LEU HB2 4.000 . 5.000 3.787 2.619 4.139 . 0 0 "[ . 1 . 2]" 1
22 1 28 TYR H 1 58 GLU HG3 3.100 . 5.500 4.593 3.564 5.509 0.009 12 0 "[ . 1 . 2]" 1
23 1 28 TYR HA 1 29 ARG H 2.900 . 4.000 2.366 2.165 2.494 . 0 0 "[ . 1 . 2]" 1
24 1 28 TYR HB3 1 29 ARG H 3.300 . 4.700 2.943 2.444 3.817 . 0 0 "[ . 1 . 2]" 1
25 1 28 TYR HB3 1 57 LEU HG 2.700 . 5.500 3.966 3.323 4.707 . 0 0 "[ . 1 . 2]" 1
26 1 28 TYR HB3 1 70 ILE MG 2.600 . 5.500 4.949 4.337 5.517 0.017 13 0 "[ . 1 . 2]" 1
27 1 29 ARG H 1 29 ARG HB2 3.300 . 4.700 3.403 2.312 3.888 . 0 0 "[ . 1 . 2]" 1
28 1 29 ARG HA 1 29 ARG HB2 2.400 . 3.100 2.671 2.382 3.020 . 0 0 "[ . 1 . 2]" 1
29 1 29 ARG HA 1 29 ARG HB3 2.300 . 3.000 2.449 2.231 2.995 . 0 0 "[ . 1 . 2]" 1
30 1 29 ARG HA 1 29 ARG HG2 3.200 . 4.000 3.463 2.261 4.005 0.005 2 0 "[ . 1 . 2]" 1
31 1 29 ARG HA 1 30 LEU H 2.400 . 3.100 2.164 2.111 2.226 . 0 0 "[ . 1 . 2]" 1
32 1 29 ARG HA 1 57 LEU MD1 3.200 . 4.000 3.978 3.424 4.077 0.077 19 0 "[ . 1 . 2]" 1
33 1 29 ARG HA 1 58 GLU H 3.200 . 4.000 2.813 2.314 3.302 . 0 0 "[ . 1 . 2]" 1
34 1 29 ARG HA 1 58 GLU HG3 5.500 . 5.500 3.899 2.336 4.310 . 0 0 "[ . 1 . 2]" 1
35 1 30 LEU H 1 30 LEU HA 2.800 . 3.800 2.940 2.931 2.947 . 0 0 "[ . 1 . 2]" 1
36 1 30 LEU H 1 30 LEU HB2 2.700 . 3.600 2.795 2.477 3.082 . 0 0 "[ . 1 . 2]" 1
37 1 30 LEU H 1 30 LEU MD1 4.000 . 5.000 4.290 4.142 4.592 . 0 0 "[ . 1 . 2]" 1
38 1 30 LEU H 1 30 LEU HG 2.800 . 5.500 4.907 4.726 5.045 . 0 0 "[ . 1 . 2]" 1
39 1 30 LEU H 1 31 ASP HA 3.100 . 5.500 4.579 4.398 4.897 . 0 0 "[ . 1 . 2]" 1
40 1 30 LEU H 1 57 LEU MD1 2.800 . 5.500 4.831 3.844 5.377 . 0 0 "[ . 1 . 2]" 1
41 1 30 LEU H 1 58 GLU H 4.000 . 5.000 4.078 3.423 4.888 . 0 0 "[ . 1 . 2]" 1
42 1 30 LEU H 1 58 GLU HA 3.300 . 5.500 5.098 4.856 5.497 . 0 0 "[ . 1 . 2]" 1
43 1 30 LEU H 1 59 VAL HA 3.200 . 4.000 2.282 2.065 2.509 . 0 0 "[ . 1 . 2]" 1
44 1 30 LEU H 1 70 ILE QG 4.000 . 5.000 4.746 4.182 5.009 0.009 8 0 "[ . 1 . 2]" 1
45 1 30 LEU HA 1 30 LEU MD1 2.700 . 3.600 2.971 2.555 3.614 0.014 16 0 "[ . 1 . 2]" 1
46 1 30 LEU HA 1 30 LEU HG 2.900 . 4.000 3.614 3.248 3.658 . 0 0 "[ . 1 . 2]" 1
47 1 30 LEU HA 1 60 VAL H 2.700 . 5.500 4.730 4.580 4.822 . 0 0 "[ . 1 . 2]" 1
48 1 30 LEU HB2 1 30 LEU MD1 2.600 . 3.400 3.148 2.863 3.187 . 0 0 "[ . 1 . 2]" 1
49 1 30 LEU HB2 1 70 ILE HG13 2.600 . 3.400 3.060 2.320 3.407 0.007 17 0 "[ . 1 . 2]" 1
50 1 30 LEU MD1 1 32 MET H 2.900 . 4.000 2.478 2.137 3.173 . 0 0 "[ . 1 . 2]" 1
51 1 30 LEU MD1 1 32 MET HG3 2.500 . 5.500 3.838 1.972 4.924 . 0 0 "[ . 1 . 2]" 1
52 1 30 LEU MD1 1 33 VAL H 2.400 . 5.500 3.306 3.047 3.545 . 0 0 "[ . 1 . 2]" 1
53 1 30 LEU MD1 1 34 GLY H 4.000 . 5.000 5.035 4.947 5.078 0.078 18 0 "[ . 1 . 2]" 1
54 1 30 LEU MD1 1 34 GLY HA2 2.400 . 5.500 3.840 3.387 3.945 . 0 0 "[ . 1 . 2]" 1
55 1 30 LEU MD1 1 61 SER HB2 2.500 . 5.500 4.108 3.542 4.398 . 0 0 "[ . 1 . 2]" 1
56 1 30 LEU HG 1 41 ALA H 2.600 . 3.400 3.492 3.253 3.567 0.167 14 0 "[ . 1 . 2]" 1
57 1 30 LEU HG 1 42 VAL H 2.600 . 5.500 5.464 5.235 5.748 0.248 16 0 "[ . 1 . 2]" 1
58 1 30 LEU HG 1 70 ILE HG13 2.100 . 2.700 2.766 2.706 3.234 0.534 14 1 "[ . 1 +. 2]" 1
59 1 31 ASP HA 1 32 MET H 2.300 . 3.000 2.462 2.403 2.557 . 0 0 "[ . 1 . 2]" 1
60 1 31 ASP HA 1 60 VAL H 2.800 . 3.800 2.197 1.773 3.169 0.027 12 0 "[ . 1 . 2]" 1
61 1 32 MET H 1 32 MET HA 3.000 . 4.100 2.922 2.916 2.927 . 0 0 "[ . 1 . 2]" 1
62 1 32 MET H 1 32 MET HB2 2.900 . 4.000 2.776 2.647 3.649 . 0 0 "[ . 1 . 2]" 1
63 1 32 MET H 1 32 MET HG3 3.000 . 4.100 3.626 2.848 4.634 0.534 6 1 "[ .+ 1 . 2]" 1
64 1 32 MET H 1 33 VAL H 2.600 . 3.400 3.431 3.350 3.486 0.086 14 0 "[ . 1 . 2]" 1
65 1 32 MET H 1 60 VAL H 3.200 . 4.000 3.785 3.586 4.045 0.045 16 0 "[ . 1 . 2]" 1
66 1 32 MET HA 1 32 MET HB2 2.400 . 3.100 2.983 2.719 3.024 . 0 0 "[ . 1 . 2]" 1
67 1 32 MET HA 1 32 MET HG2 2.700 . 3.600 2.571 2.163 3.419 . 0 0 "[ . 1 . 2]" 1
68 1 32 MET HA 1 33 VAL H 3.000 . 4.100 3.384 3.355 3.419 . 0 0 "[ . 1 . 2]" 1
69 1 32 MET HA 1 33 VAL MG2 2.600 . 5.500 4.207 3.190 5.688 0.188 20 0 "[ . 1 . 2]" 1
70 1 33 VAL H 1 33 VAL HB 2.400 . 3.100 2.956 2.759 3.160 0.060 18 0 "[ . 1 . 2]" 1
71 1 33 VAL H 1 33 VAL MG2 2.200 . 5.500 3.208 2.569 3.960 . 0 0 "[ . 1 . 2]" 1
72 1 33 VAL H 1 34 GLY HA2 2.800 . 5.500 4.855 4.661 5.002 . 0 0 "[ . 1 . 2]" 1
73 1 33 VAL H 1 35 GLU HB3 2.700 . 5.500 5.366 4.959 5.835 0.335 18 0 "[ . 1 . 2]" 1
74 1 33 VAL H 1 61 SER HA 3.100 . 5.500 4.453 4.184 4.842 . 0 0 "[ . 1 . 2]" 1
75 1 33 VAL HA 1 33 VAL MG2 2.900 . 4.000 2.404 2.198 2.623 . 0 0 "[ . 1 . 2]" 1
76 1 33 VAL HA 1 62 ASP H 2.400 . 3.100 1.875 1.602 2.102 0.098 15 0 "[ . 1 . 2]" 1
77 1 33 VAL HA 1 91 ILE MG 2.900 . 5.500 5.548 5.446 5.602 0.102 12 0 "[ . 1 . 2]" 1
78 1 33 VAL HB 1 33 VAL MG2 2.200 . 2.800 2.111 2.085 2.127 . 0 0 "[ . 1 . 2]" 1
79 1 33 VAL HB 1 34 GLY H 3.500 . 5.000 3.918 3.440 4.264 . 0 0 "[ . 1 . 2]" 1
80 1 33 VAL MG2 1 34 GLY H 3.200 . 5.500 3.330 1.783 4.076 . 0 0 "[ . 1 . 2]" 1
81 1 33 VAL MG2 1 62 ASP H 3.000 . 5.500 3.097 2.821 3.602 . 0 0 "[ . 1 . 2]" 1
82 1 34 GLY H 1 34 GLY HA2 2.700 . 3.600 2.849 2.790 2.928 . 0 0 "[ . 1 . 2]" 1
83 1 34 GLY H 1 34 GLY HA3 2.900 . 4.000 2.311 2.297 2.363 . 0 0 "[ . 1 . 2]" 1
84 1 34 GLY H 1 35 GLU H 3.200 . 4.500 3.544 2.665 4.411 . 0 0 "[ . 1 . 2]" 1
85 1 34 GLY H 1 62 ASP H 3.200 . 4.000 2.923 2.560 3.570 . 0 0 "[ . 1 . 2]" 1
86 1 34 GLY HA2 1 35 GLU H 3.100 . 4.300 2.698 2.159 3.438 . 0 0 "[ . 1 . 2]" 1
87 1 34 GLY HA2 1 62 ASP H 3.000 . 5.500 5.355 4.874 5.821 0.321 16 0 "[ . 1 . 2]" 1
88 1 34 GLY HA2 1 70 ILE H 2.900 . 5.500 4.567 4.160 5.485 . 0 0 "[ . 1 . 2]" 1
89 1 34 GLY HA3 1 35 GLU H 3.100 . 4.300 3.390 3.068 3.572 . 0 0 "[ . 1 . 2]" 1
90 1 34 GLY HA3 1 70 ILE H 3.000 . 5.500 5.395 4.866 5.582 0.082 15 0 "[ . 1 . 2]" 1
91 1 35 GLU H 1 35 GLU HA 3.000 . 4.100 2.884 2.798 2.946 . 0 0 "[ . 1 . 2]" 1
92 1 35 GLU H 1 35 GLU HB3 2.700 . 3.600 2.353 2.086 2.671 . 0 0 "[ . 1 . 2]" 1
93 1 35 GLU H 1 35 GLU HG2 3.000 . 4.100 3.402 2.166 4.428 0.328 18 0 "[ . 1 . 2]" 1
94 1 35 GLU HA 1 35 GLU HB2 2.400 . 3.100 2.320 2.244 2.415 . 0 0 "[ . 1 . 2]" 1
95 1 35 GLU HA 1 35 GLU HG2 3.300 . 4.700 3.643 3.422 3.777 . 0 0 "[ . 1 . 2]" 1
96 1 35 GLU HA 1 35 GLU HG3 4.000 . 5.000 3.226 2.598 3.876 . 0 0 "[ . 1 . 2]" 1
97 1 35 GLU HA 1 36 PRO HD3 2.100 . 2.700 2.242 1.796 2.583 . 0 0 "[ . 1 . 2]" 1
98 1 35 GLU HA 1 36 PRO HG3 5.500 . 5.500 4.342 3.935 4.712 . 0 0 "[ . 1 . 2]" 1
99 1 35 GLU HG2 1 37 CYS H 3.000 . 4.100 3.147 1.983 4.121 0.021 9 0 "[ . 1 . 2]" 1
100 1 35 GLU HG2 1 37 CYS HA 2.300 . 5.500 4.482 3.683 5.506 0.006 17 0 "[ . 1 . 2]" 1
101 1 35 GLU HG3 1 36 PRO HD3 2.900 . 4.000 3.843 3.116 4.849 0.849 17 2 "[ - . 1 . + 2]" 1
102 1 36 PRO HD3 1 36 PRO HG3 2.200 . 2.800 2.308 2.261 2.325 . 0 0 "[ . 1 . 2]" 1
103 1 41 ALA H 1 42 VAL H 3.000 . 4.100 2.884 2.509 3.039 . 0 0 "[ . 1 . 2]" 1
104 1 41 ALA H 1 42 VAL HB 3.300 . 5.500 5.155 4.763 5.485 . 0 0 "[ . 1 . 2]" 1
105 1 41 ALA HA 1 41 ALA MB 2.000 . 2.500 2.100 2.077 2.124 . 0 0 "[ . 1 . 2]" 1
106 1 41 ALA HA 1 42 VAL H 2.900 . 4.000 3.294 3.162 3.364 . 0 0 "[ . 1 . 2]" 1
107 1 41 ALA HA 1 44 THR H 3.200 . 4.000 2.886 2.748 2.958 . 0 0 "[ . 1 . 2]" 1
108 1 41 ALA HA 1 44 THR HA 4.000 . 5.000 5.020 4.558 5.145 0.145 18 0 "[ . 1 . 2]" 1
109 1 41 ALA HA 1 44 THR MG 4.000 . 5.000 4.182 3.947 4.600 . 0 0 "[ . 1 . 2]" 1
110 1 41 ALA HA 1 57 LEU MD1 5.500 . 5.500 4.956 4.206 5.525 0.025 2 0 "[ . 1 . 2]" 1
111 1 41 ALA HA 1 70 ILE MD 2.800 . 3.800 2.536 1.716 3.003 0.084 14 0 "[ . 1 . 2]" 1
112 1 41 ALA MB 1 44 THR HA 4.000 . 5.000 5.008 4.718 5.197 0.197 16 0 "[ . 1 . 2]" 1
113 1 41 ALA MB 1 44 THR MG 5.500 . 5.500 3.366 2.461 3.597 . 0 0 "[ . 1 . 2]" 1
114 1 41 ALA MB 1 70 ILE MD 3.000 . 4.100 1.949 1.865 2.367 0.035 2 0 "[ . 1 . 2]" 1
115 1 41 ALA MB 1 70 ILE QG 4.000 . 5.000 3.357 1.807 3.601 . 0 0 "[ . 1 . 2]" 1
116 1 41 ALA MB 1 72 LEU HB3 5.500 . 5.500 5.386 4.953 5.997 0.497 20 0 "[ . 1 . 2]" 1
117 1 41 ALA MB 1 73 ASP HB2 2.800 . 3.800 2.490 2.174 3.133 . 0 0 "[ . 1 . 2]" 1
118 1 42 VAL H 1 42 VAL HA 2.800 . 3.800 2.763 2.733 2.831 . 0 0 "[ . 1 . 2]" 1
119 1 42 VAL H 1 42 VAL HB 2.400 . 3.100 2.455 2.267 2.723 . 0 0 "[ . 1 . 2]" 1
120 1 42 VAL H 1 42 VAL MG2 2.300 . 3.000 2.745 1.976 3.723 0.723 6 7 "[ ** .+ *1 -*. * 2]" 1
121 1 42 VAL H 1 43 ALA H 2.700 . 3.600 2.731 2.517 2.840 . 0 0 "[ . 1 . 2]" 1
122 1 42 VAL H 1 70 ILE MG 4.000 . 5.000 4.910 4.708 5.074 0.074 14 0 "[ . 1 . 2]" 1
123 1 42 VAL HA 1 45 LEU H 3.200 . 4.000 3.812 3.446 4.027 0.027 16 0 "[ . 1 . 2]" 1
124 1 42 VAL HB 1 43 ALA H 2.800 . 3.800 3.229 2.768 3.871 0.071 2 0 "[ . 1 . 2]" 1
125 1 42 VAL HB 1 43 ALA MB 5.500 . 5.500 4.473 3.905 5.210 . 0 0 "[ . 1 . 2]" 1
126 1 42 VAL MG2 1 43 ALA H 3.100 . 4.300 3.985 3.800 4.139 . 0 0 "[ . 1 . 2]" 1
127 1 43 ALA H 1 43 ALA HA 2.800 . 3.800 2.865 2.854 2.873 . 0 0 "[ . 1 . 2]" 1
128 1 43 ALA H 1 44 THR H 3.000 . 4.100 2.472 2.378 2.535 . 0 0 "[ . 1 . 2]" 1
129 1 43 ALA H 1 70 ILE MG 3.400 . 4.800 4.864 4.799 4.899 0.099 13 0 "[ . 1 . 2]" 1
130 1 43 ALA HA 1 43 ALA MB 2.100 . 2.700 2.097 2.082 2.128 . 0 0 "[ . 1 . 2]" 1
131 1 43 ALA HA 1 46 GLU H 3.200 . 4.000 3.672 3.249 3.991 . 0 0 "[ . 1 . 2]" 1
132 1 43 ALA HA 1 46 GLU HB3 5.500 . 5.500 3.817 2.389 4.860 . 0 0 "[ . 1 . 2]" 1
133 1 43 ALA HA 1 47 ALA MB 5.500 . 5.500 4.367 4.103 4.645 . 0 0 "[ . 1 . 2]" 1
134 1 43 ALA MB 1 44 THR HA 5.500 . 5.500 3.743 3.676 3.845 . 0 0 "[ . 1 . 2]" 1
135 1 44 THR H 1 44 THR HA 2.800 . 3.800 2.775 2.730 2.814 . 0 0 "[ . 1 . 2]" 1
136 1 44 THR H 1 44 THR HB 3.200 . 4.500 2.796 2.075 3.031 . 0 0 "[ . 1 . 2]" 1
137 1 44 THR H 1 70 ILE MG 2.800 . 3.800 3.741 3.512 3.822 0.022 7 0 "[ . 1 . 2]" 1
138 1 44 THR HA 1 44 THR MG 2.400 . 3.100 2.287 2.065 2.888 . 0 0 "[ . 1 . 2]" 1
139 1 44 THR HA 1 45 LEU H 3.100 . 4.300 3.560 3.542 3.572 . 0 0 "[ . 1 . 2]" 1
140 1 44 THR HA 1 47 ALA H 3.200 . 4.000 3.674 3.420 3.901 . 0 0 "[ . 1 . 2]" 1
141 1 44 THR HA 1 95 ILE QG 4.000 . 5.000 5.040 4.874 5.084 0.084 12 0 "[ . 1 . 2]" 1
142 1 44 THR HB 1 47 ALA H 3.200 . 5.500 5.245 5.026 5.542 0.042 18 0 "[ . 1 . 2]" 1
143 1 44 THR MG 1 45 LEU HA 3.100 . 4.300 3.960 2.943 4.337 0.037 20 0 "[ . 1 . 2]" 1
144 1 44 THR MG 1 47 ALA MB 5.500 . 5.500 3.641 3.304 3.923 . 0 0 "[ . 1 . 2]" 1
145 1 44 THR MG 1 70 ILE MD 4.000 . 5.000 4.746 4.204 4.998 . 0 0 "[ . 1 . 2]" 1
146 1 45 LEU H 1 45 LEU QB 3.100 . 4.300 2.214 2.031 2.443 . 0 0 "[ . 1 . 2]" 1
147 1 45 LEU H 1 45 LEU QD 3.400 . 4.800 3.184 2.979 3.362 . 0 0 "[ . 1 . 2]" 1
148 1 45 LEU H 1 46 GLU H 3.100 . 4.300 2.796 2.592 2.946 . 0 0 "[ . 1 . 2]" 1
149 1 45 LEU HA 1 45 LEU QB 2.600 . 3.400 2.466 2.373 2.535 . 0 0 "[ . 1 . 2]" 1
150 1 45 LEU HA 1 45 LEU HG 2.500 . 3.300 2.812 2.424 3.047 . 0 0 "[ . 1 . 2]" 1
151 1 45 LEU HA 1 46 GLU H 3.200 . 4.500 3.559 3.502 3.584 . 0 0 "[ . 1 . 2]" 1
152 1 45 LEU HA 1 48 MET H 3.200 . 4.000 3.594 3.386 3.843 . 0 0 "[ . 1 . 2]" 1
153 1 45 LEU HA 1 73 ASP QB 3.200 . 4.000 3.862 3.334 4.017 0.017 15 0 "[ . 1 . 2]" 1
154 1 45 LEU HA 1 74 ALA HA 3.200 . 4.000 3.879 3.674 4.043 0.043 16 0 "[ . 1 . 2]" 1
155 1 45 LEU QB 1 46 GLU H 2.800 . 3.800 2.443 2.129 2.834 . 0 0 "[ . 1 . 2]" 1
156 1 45 LEU QB 1 46 GLU HB3 2.700 . 5.500 4.209 3.824 5.118 . 0 0 "[ . 1 . 2]" 1
157 1 45 LEU QB 1 47 ALA H 4.000 . 5.000 4.286 4.092 4.584 . 0 0 "[ . 1 . 2]" 1
158 1 45 LEU QB 1 48 MET H 2.600 . 5.500 4.892 4.641 5.122 . 0 0 "[ . 1 . 2]" 1
159 1 45 LEU QD 1 48 MET HB2 2.800 . 5.500 4.515 3.846 5.194 . 0 0 "[ . 1 . 2]" 1
160 1 45 LEU QD 1 73 ASP QB 3.200 . 4.000 2.236 1.817 2.865 . 0 0 "[ . 1 . 2]" 1
161 1 45 LEU QD 1 74 ALA HA 3.200 . 4.000 3.009 2.739 3.233 . 0 0 "[ . 1 . 2]" 1
162 1 45 LEU QD 1 74 ALA MB 3.200 . 4.000 3.955 3.871 3.992 . 0 0 "[ . 1 . 2]" 1
163 1 46 GLU H 1 46 GLU HA 2.700 . 3.600 2.817 2.743 2.855 . 0 0 "[ . 1 . 2]" 1
164 1 46 GLU H 1 46 GLU HB3 3.100 . 4.300 2.594 2.102 3.594 . 0 0 "[ . 1 . 2]" 1
165 1 46 GLU H 1 46 GLU HG2 2.900 . 4.000 2.819 1.794 4.022 0.022 16 0 "[ . 1 . 2]" 1
166 1 46 GLU H 1 47 ALA H 2.600 . 3.400 2.612 2.472 2.814 . 0 0 "[ . 1 . 2]" 1
167 1 46 GLU H 1 48 MET H 3.300 . 4.700 4.389 4.033 4.727 0.027 18 0 "[ . 1 . 2]" 1
168 1 46 GLU HA 1 46 GLU HB2 2.400 . 3.100 2.482 2.233 3.025 . 0 0 "[ . 1 . 2]" 1
169 1 46 GLU HA 1 46 GLU HG3 2.800 . 3.800 3.501 2.948 3.850 0.050 11 0 "[ . 1 . 2]" 1
170 1 46 GLU HA 1 47 ALA H 2.800 . 3.800 3.411 3.331 3.530 . 0 0 "[ . 1 . 2]" 1
171 1 46 GLU HA 1 47 ALA MB 5.500 . 5.500 4.939 4.892 4.986 . 0 0 "[ . 1 . 2]" 1
172 1 46 GLU HG2 1 47 ALA H 3.000 . 4.100 3.603 2.417 5.076 0.976 4 2 "[ +. - 1 . 2]" 1
173 1 47 ALA H 1 47 ALA HA 2.500 . 3.300 2.842 2.728 2.879 . 0 0 "[ . 1 . 2]" 1
174 1 47 ALA H 1 48 MET H 2.700 . 3.600 2.560 2.378 3.051 . 0 0 "[ . 1 . 2]" 1
175 1 47 ALA H 1 48 MET QG 2.900 . 5.500 4.602 3.511 5.267 . 0 0 "[ . 1 . 2]" 1
176 1 47 ALA HA 1 48 MET H 3.000 . 4.100 3.516 3.466 3.561 . 0 0 "[ . 1 . 2]" 1
177 1 47 ALA HA 1 50 GLN H 3.200 . 4.000 3.617 3.261 4.112 0.112 17 0 "[ . 1 . 2]" 1
178 1 47 ALA MB 1 95 ILE MD 5.500 . 5.500 4.471 4.199 4.714 . 0 0 "[ . 1 . 2]" 1
179 1 48 MET H 1 48 MET HA 2.800 . 3.800 2.769 2.723 2.908 . 0 0 "[ . 1 . 2]" 1
180 1 48 MET H 1 48 MET HB2 2.900 . 4.000 2.614 2.098 3.260 . 0 0 "[ . 1 . 2]" 1
181 1 48 MET H 1 48 MET QG 2.800 . 3.800 2.657 1.634 3.489 0.166 19 0 "[ . 1 . 2]" 1
182 1 48 MET HA 1 48 MET HB2 2.700 . 3.600 2.818 2.220 3.026 . 0 0 "[ . 1 . 2]" 1
183 1 48 MET HA 1 51 LEU H 3.200 . 4.000 3.853 2.723 4.089 0.089 16 0 "[ . 1 . 2]" 1
184 1 51 LEU H 1 51 LEU HA 2.700 . 3.600 2.740 2.661 2.850 . 0 0 "[ . 1 . 2]" 1
185 1 51 LEU H 1 51 LEU HB2 2.600 . 3.400 3.354 2.074 3.597 0.197 18 0 "[ . 1 . 2]" 1
186 1 51 LEU H 1 51 LEU HG 2.600 . 3.400 3.337 2.806 3.580 0.180 6 0 "[ . 1 . 2]" 1
187 1 51 LEU H 1 52 LYS H 3.300 . 4.700 4.591 4.370 4.646 . 0 0 "[ . 1 . 2]" 1
188 1 51 LEU HA 1 52 LYS H 2.400 . 3.100 2.407 2.204 2.852 . 0 0 "[ . 1 . 2]" 1
189 1 51 LEU HA 1 52 LYS QG 5.500 . 5.500 4.126 3.214 5.264 . 0 0 "[ . 1 . 2]" 1
190 1 51 LEU HB2 1 52 LYS H 2.700 . 3.600 2.705 1.579 4.241 0.641 4 2 "[ +.- 1 . 2]" 1
191 1 51 LEU HG 1 52 LYS H 3.100 . 5.500 3.506 3.055 3.744 . 0 0 "[ . 1 . 2]" 1
192 1 51 LEU HG 1 52 LYS HA 2.400 . 5.500 4.001 3.327 5.643 0.143 4 0 "[ . 1 . 2]" 1
193 1 52 LYS H 1 52 LYS HA 2.800 . 3.800 2.922 2.851 2.948 . 0 0 "[ . 1 . 2]" 1
194 1 52 LYS H 1 52 LYS HB2 2.500 . 3.300 2.770 2.456 3.883 0.583 7 1 "[ . + 1 . 2]" 1
195 1 52 LYS H 1 55 GLU QG 3.200 . 5.500 4.432 3.428 5.074 . 0 0 "[ . 1 . 2]" 1
196 1 52 LYS HA 1 52 LYS HB3 2.300 . 3.000 2.622 2.380 2.909 . 0 0 "[ . 1 . 2]" 1
197 1 52 LYS HA 1 52 LYS QG 2.600 . 3.400 2.415 2.049 3.048 . 0 0 "[ . 1 . 2]" 1
198 1 52 LYS HB2 1 54 GLY H 2.700 . 3.600 3.376 2.634 4.075 0.475 7 0 "[ . 1 . 2]" 1
199 1 52 LYS HB2 1 55 GLU H 3.000 . 5.500 5.142 3.734 6.493 0.993 6 2 "[ .+- 1 . 2]" 1
200 1 54 GLY H 1 54 GLY HA2 2.500 . 3.300 2.699 2.511 2.898 . 0 0 "[ . 1 . 2]" 1
201 1 54 GLY H 1 54 GLY HA3 2.400 . 3.100 2.871 2.695 2.956 . 0 0 "[ . 1 . 2]" 1
202 1 54 GLY H 1 55 GLU H 2.700 . 3.600 2.992 1.971 3.606 0.006 12 0 "[ . 1 . 2]" 1
203 1 54 GLY H 1 55 GLU HA 2.700 . 5.500 4.426 4.123 4.847 . 0 0 "[ . 1 . 2]" 1
204 1 54 GLY H 1 97 LYS HB2 4.000 . 5.000 4.853 3.441 5.549 0.549 7 1 "[ . + 1 . 2]" 1
205 1 54 GLY H 1 97 LYS QG 3.100 . 4.300 3.355 2.158 4.182 . 0 0 "[ . 1 . 2]" 1
206 1 54 GLY HA2 1 55 GLU H 3.000 . 4.100 2.360 2.138 2.782 . 0 0 "[ . 1 . 2]" 1
207 1 54 GLY HA2 1 97 LYS H 4.000 . 5.000 3.988 3.137 5.022 0.022 20 0 "[ . 1 . 2]" 1
208 1 54 GLY HA3 1 55 GLU H 2.900 . 4.000 3.485 3.306 3.569 . 0 0 "[ . 1 . 2]" 1
209 1 55 GLU H 1 55 GLU HA 2.500 . 3.300 2.910 2.826 2.946 . 0 0 "[ . 1 . 2]" 1
210 1 55 GLU H 1 55 GLU HB2 2.600 . 5.500 3.263 2.310 3.855 . 0 0 "[ . 1 . 2]" 1
211 1 55 GLU H 1 55 GLU QG 2.700 . 5.500 3.086 1.579 4.246 . 0 0 "[ . 1 . 2]" 1
212 1 55 GLU H 1 97 LYS QG 3.300 . 4.700 2.871 1.880 3.773 0.020 20 0 "[ . 1 . 2]" 1
213 1 55 GLU HA 1 56 ILE H 2.600 . 3.400 2.441 2.245 2.688 . 0 0 "[ . 1 . 2]" 1
214 1 55 GLU HA 1 97 LYS HB3 5.500 . 5.500 4.164 3.720 5.015 . 0 0 "[ . 1 . 2]" 1
215 1 55 GLU HB2 1 56 ILE H 2.800 . 3.800 2.983 1.924 4.125 0.325 20 0 "[ . 1 . 2]" 1
216 1 55 GLU HB2 1 97 LYS H 4.000 . 5.000 5.053 4.354 5.504 0.504 5 1 "[ + 1 . 2]" 1
217 1 55 GLU QG 1 56 ILE H 3.300 . 4.700 2.714 1.625 3.637 0.275 1 0 "[ . 1 . 2]" 1
218 1 55 GLU QG 1 95 ILE HG13 4.000 . 5.000 4.177 3.338 4.991 . 0 0 "[ . 1 . 2]" 1
219 1 56 ILE H 1 56 ILE HA 2.800 . 3.800 2.871 2.849 2.891 . 0 0 "[ . 1 . 2]" 1
220 1 56 ILE H 1 56 ILE HB 2.800 . 3.800 2.944 2.846 3.619 . 0 0 "[ . 1 . 2]" 1
221 1 56 ILE H 1 56 ILE MG 3.000 . 4.100 3.750 3.614 3.917 . 0 0 "[ . 1 . 2]" 1
222 1 56 ILE H 1 57 LEU MD1 4.000 . 5.000 4.623 4.128 5.130 0.130 20 0 "[ . 1 . 2]" 1
223 1 56 ILE H 1 95 ILE MD 2.900 . 4.000 4.076 4.031 4.142 0.142 11 0 "[ . 1 . 2]" 1
224 1 56 ILE HA 1 56 ILE MG 2.500 . 3.300 2.649 2.113 2.811 . 0 0 "[ . 1 . 2]" 1
225 1 56 ILE HA 1 57 LEU H 2.500 . 3.300 2.374 2.290 2.611 . 0 0 "[ . 1 . 2]" 1
226 1 56 ILE HA 1 57 LEU HB3 5.500 . 5.500 4.787 4.282 5.104 . 0 0 "[ . 1 . 2]" 1
227 1 56 ILE HA 1 95 ILE MD 2.700 . 3.600 3.313 2.899 3.634 0.034 12 0 "[ . 1 . 2]" 1
228 1 56 ILE HA 1 95 ILE MG 3.700 . 5.400 5.205 4.981 5.430 0.030 12 0 "[ . 1 . 2]" 1
229 1 56 ILE HA 1 96 GLN H 2.400 . 5.500 4.352 4.150 4.674 . 0 0 "[ . 1 . 2]" 1
230 1 56 ILE HA 1 96 GLN HA 2.400 . 3.000 1.992 1.832 2.178 . 0 0 "[ . 1 . 2]" 1
231 1 56 ILE HA 1 97 LYS H 3.200 . 4.000 3.826 3.463 4.065 0.065 20 0 "[ . 1 . 2]" 1
232 1 56 ILE HB 1 56 ILE MG 2.200 . 2.800 2.125 2.113 2.127 . 0 0 "[ . 1 . 2]" 1
233 1 56 ILE HB 1 57 LEU H 3.300 . 4.700 3.903 2.219 4.103 . 0 0 "[ . 1 . 2]" 1
234 1 56 ILE HB 1 97 LYS H 2.900 . 5.500 5.397 5.021 5.574 0.074 9 0 "[ . 1 . 2]" 1
235 1 56 ILE MG 1 57 LEU H 3.000 . 4.100 1.989 1.877 2.292 0.023 19 0 "[ . 1 . 2]" 1
236 1 56 ILE MG 1 94 LEU HA 5.500 . 5.500 5.098 4.735 5.538 0.038 20 0 "[ . 1 . 2]" 1
237 1 56 ILE MG 1 96 GLN HA 3.200 . 4.000 3.913 1.962 4.053 0.053 11 0 "[ . 1 . 2]" 1
238 1 56 ILE MG 1 97 LYS H 2.700 . 5.500 5.314 2.948 5.529 0.029 1 0 "[ . 1 . 2]" 1
239 1 57 LEU H 1 57 LEU HA 3.000 . 4.100 2.903 2.847 2.943 . 0 0 "[ . 1 . 2]" 1
240 1 57 LEU H 1 57 LEU HB2 2.800 . 3.800 3.068 2.713 3.495 . 0 0 "[ . 1 . 2]" 1
241 1 57 LEU H 1 57 LEU MD1 2.600 . 5.500 4.259 3.974 4.682 . 0 0 "[ . 1 . 2]" 1
242 1 57 LEU H 1 57 LEU HG 2.800 . 5.500 4.659 4.489 4.907 . 0 0 "[ . 1 . 2]" 1
243 1 57 LEU H 1 95 ILE H 3.200 . 4.000 2.673 2.373 2.975 . 0 0 "[ . 1 . 2]" 1
244 1 57 LEU H 1 96 GLN HA 3.200 . 4.000 3.812 3.616 3.917 . 0 0 "[ . 1 . 2]" 1
245 1 57 LEU HA 1 57 LEU HB3 2.700 . 3.600 2.974 2.934 3.007 . 0 0 "[ . 1 . 2]" 1
246 1 57 LEU HA 1 57 LEU MD1 3.100 . 5.500 2.434 1.944 2.792 . 0 0 "[ . 1 . 2]" 1
247 1 57 LEU HA 1 57 LEU HG 2.300 . 3.000 2.645 2.385 3.008 0.008 16 0 "[ . 1 . 2]" 1
248 1 57 LEU HB2 1 58 GLU HA 4.000 . 5.000 5.467 5.336 5.815 0.815 10 5 "[ . + * *. -*]" 1
249 1 57 LEU HB2 1 95 ILE MD 2.500 . 5.500 3.583 3.342 4.219 . 0 0 "[ . 1 . 2]" 1
250 1 57 LEU HB2 1 95 ILE HG13 2.000 . 2.500 2.308 1.844 3.233 0.733 20 2 "[ . 1 - . +]" 1
251 1 57 LEU HB3 1 57 LEU HG 2.200 . 2.800 2.611 2.382 2.787 . 0 0 "[ . 1 . 2]" 1
252 1 57 LEU MD1 1 57 LEU HG 2.300 . 3.000 2.085 2.076 2.113 . 0 0 "[ . 1 . 2]" 1
253 1 57 LEU MD1 1 70 ILE MG 2.200 . 5.500 3.457 2.682 3.996 . 0 0 "[ . 1 . 2]" 1
254 1 57 LEU MD1 1 94 LEU HA 3.300 . 5.500 5.494 5.304 5.601 0.101 18 0 "[ . 1 . 2]" 1
255 1 57 LEU HG 1 59 VAL H 3.200 . 5.500 4.812 3.989 5.507 0.007 6 0 "[ . 1 . 2]" 1
256 1 57 LEU HG 1 94 LEU HA 3.700 . 5.400 4.629 4.101 5.114 . 0 0 "[ . 1 . 2]" 1
257 1 58 GLU HA 1 58 GLU HB2 2.500 . 3.300 2.952 2.740 3.009 . 0 0 "[ . 1 . 2]" 1
258 1 58 GLU HA 1 58 GLU HB3 2.400 . 3.100 2.291 2.242 2.353 . 0 0 "[ . 1 . 2]" 1
259 1 58 GLU HA 1 58 GLU HG2 2.500 . 3.300 3.168 2.818 3.452 0.152 19 0 "[ . 1 . 2]" 1
260 1 58 GLU HA 1 58 GLU HG3 2.600 . 3.400 3.295 3.185 3.577 0.177 19 0 "[ . 1 . 2]" 1
261 1 58 GLU HA 1 59 VAL H 2.600 . 3.400 2.177 2.132 2.250 . 0 0 "[ . 1 . 2]" 1
262 1 58 GLU HA 1 59 VAL HB 3.300 . 4.700 4.682 4.623 4.835 0.135 9 0 "[ . 1 . 2]" 1
263 1 58 GLU HA 1 94 LEU HA 2.400 . 3.000 2.836 2.558 3.026 0.026 2 0 "[ . 1 . 2]" 1
264 1 58 GLU HA 1 94 LEU MD2 3.200 . 4.000 3.873 3.659 4.011 0.011 20 0 "[ . 1 . 2]" 1
265 1 58 GLU HB2 1 59 VAL H 3.000 . 4.100 3.842 3.382 4.223 0.123 11 0 "[ . 1 . 2]" 1
266 1 58 GLU HB3 1 59 VAL HA 5.500 . 5.500 5.119 4.884 5.509 0.009 19 0 "[ . 1 . 2]" 1
267 1 59 VAL H 1 59 VAL HA 2.900 . 4.000 2.942 2.929 2.951 . 0 0 "[ . 1 . 2]" 1
268 1 59 VAL H 1 59 VAL HB 2.700 . 3.600 2.819 2.598 3.511 . 0 0 "[ . 1 . 2]" 1
269 1 59 VAL H 1 92 ARG QG 3.300 . 5.500 3.838 3.059 4.678 . 0 0 "[ . 1 . 2]" 1
270 1 59 VAL H 1 93 TYR H 2.800 . 3.800 3.203 2.518 3.730 . 0 0 "[ . 1 . 2]" 1
271 1 59 VAL H 1 93 TYR QD 4.000 . 5.000 4.466 4.005 4.835 . 0 0 "[ . 1 . 2]" 1
272 1 59 VAL H 1 94 LEU HA 3.200 . 4.000 3.414 3.059 3.796 . 0 0 "[ . 1 . 2]" 1
273 1 59 VAL H 1 94 LEU MD2 2.800 . 3.800 3.802 3.598 3.844 0.044 7 0 "[ . 1 . 2]" 1
274 1 59 VAL HA 1 59 VAL HB 2.600 . 3.400 2.943 2.272 3.019 . 0 0 "[ . 1 . 2]" 1
275 1 59 VAL HA 1 59 VAL MG1 2.200 . 2.800 2.442 2.260 3.168 0.368 9 0 "[ . 1 . 2]" 1
276 1 59 VAL HA 1 60 VAL H 2.300 . 3.000 2.152 2.119 2.221 . 0 0 "[ . 1 . 2]" 1
277 1 59 VAL HA 1 70 ILE QG 4.000 . 5.000 4.174 4.114 4.249 . 0 0 "[ . 1 . 2]" 1
278 1 59 VAL HB 1 70 ILE MD 5.500 . 5.500 5.210 4.025 5.524 0.024 17 0 "[ . 1 . 2]" 1
279 1 59 VAL HB 1 93 TYR H 3.300 . 5.500 2.659 1.858 5.025 . 0 0 "[ . 1 . 2]" 1
280 1 59 VAL HB 1 94 LEU HA 3.900 . 5.500 4.684 4.205 5.455 . 0 0 "[ . 1 . 2]" 1
281 1 59 VAL MG1 1 70 ILE MD 5.500 . 5.500 3.225 2.983 4.283 . 0 0 "[ . 1 . 2]" 1
282 1 60 VAL H 1 60 VAL HA 2.700 . 3.600 2.933 2.879 2.948 . 0 0 "[ . 1 . 2]" 1
283 1 60 VAL HA 1 60 VAL HB 2.600 . 3.400 2.956 2.681 3.024 . 0 0 "[ . 1 . 2]" 1
284 1 60 VAL HA 1 60 VAL QG 2.100 . 2.700 2.035 1.912 2.128 . 0 0 "[ . 1 . 2]" 1
285 1 60 VAL HA 1 90 THR HB 3.200 . 5.500 5.245 4.440 5.526 0.026 15 0 "[ . 1 . 2]" 1
286 1 60 VAL HA 1 91 ILE H 3.300 . 5.500 4.828 4.414 5.446 . 0 0 "[ . 1 . 2]" 1
287 1 60 VAL HA 1 92 ARG H 3.200 . 5.500 5.044 4.783 5.400 . 0 0 "[ . 1 . 2]" 1
288 1 60 VAL HA 1 92 ARG HA 2.400 . 3.000 2.545 2.206 2.896 . 0 0 "[ . 1 . 2]" 1
289 1 60 VAL HA 1 93 TYR H 3.200 . 4.000 3.818 3.356 4.014 0.014 16 0 "[ . 1 . 2]" 1
290 1 60 VAL QG 1 92 ARG HA 2.600 . 3.400 3.185 2.843 3.311 . 0 0 "[ . 1 . 2]" 1
291 1 61 SER H 1 91 ILE H 3.200 . 4.000 3.824 3.363 4.031 0.031 15 0 "[ . 1 . 2]" 1
292 1 61 SER H 1 92 ARG HA 3.200 . 4.000 3.309 2.813 3.959 . 0 0 "[ . 1 . 2]" 1
293 1 61 SER HA 1 62 ASP H 2.700 . 3.600 2.481 2.370 2.628 . 0 0 "[ . 1 . 2]" 1
294 1 62 ASP H 1 62 ASP HA 3.000 . 4.100 2.950 2.938 2.955 . 0 0 "[ . 1 . 2]" 1
295 1 62 ASP H 1 62 ASP HB2 2.800 . 3.800 3.000 2.423 3.768 . 0 0 "[ . 1 . 2]" 1
296 1 62 ASP H 1 63 CYS H 2.900 . 5.500 4.366 4.166 4.447 . 0 0 "[ . 1 . 2]" 1
297 1 62 ASP H 1 90 THR HB 2.900 . 5.500 5.396 4.775 5.539 0.039 17 0 "[ . 1 . 2]" 1
298 1 62 ASP HA 1 62 ASP HB2 2.200 . 2.800 2.753 2.445 2.854 0.054 14 0 "[ . 1 . 2]" 1
299 1 62 ASP HA 1 62 ASP HB3 2.200 . 2.800 2.583 2.237 2.895 0.095 13 0 "[ . 1 . 2]" 1
300 1 62 ASP HA 1 63 CYS H 3.200 . 4.500 2.163 2.122 2.201 . 0 0 "[ . 1 . 2]" 1
301 1 62 ASP HA 1 90 THR HA 2.400 . 3.000 2.938 2.633 3.044 0.044 2 0 "[ . 1 . 2]" 1
302 1 62 ASP HA 1 91 ILE H 3.200 . 4.000 3.230 2.868 3.632 . 0 0 "[ . 1 . 2]" 1
303 1 62 ASP HA 1 91 ILE MG 3.000 . 4.100 2.780 2.533 3.434 . 0 0 "[ . 1 . 2]" 1
304 1 62 ASP HB2 1 90 THR HA 5.500 . 5.500 4.464 3.549 5.183 . 0 0 "[ . 1 . 2]" 1
305 1 63 CYS HA 1 63 CYS HB2 2.900 . 4.000 2.613 2.336 3.027 . 0 0 "[ . 1 . 2]" 1
306 1 63 CYS HA 1 63 CYS HB3 2.700 . 3.600 2.765 2.256 3.026 . 0 0 "[ . 1 . 2]" 1
307 1 63 CYS HA 1 64 PRO HD3 2.200 . 2.800 2.188 1.819 3.302 0.502 15 1 "[ . 1 + 2]" 1
308 1 63 CYS HB3 1 68 ASN HA 5.500 . 5.500 5.146 4.099 5.943 0.443 1 0 "[ . 1 . 2]" 1
309 1 64 PRO HB3 1 64 PRO HD3 3.000 . 4.100 3.426 2.938 4.054 . 0 0 "[ . 1 . 2]" 1
310 1 64 PRO HD3 1 64 PRO HG3 2.300 . 3.000 2.307 2.286 2.325 . 0 0 "[ . 1 . 2]" 1
311 1 66 SER H 1 66 SER HA 2.700 . 3.600 2.925 2.819 2.948 . 0 0 "[ . 1 . 2]" 1
312 1 66 SER H 1 66 SER QB 3.000 . 4.100 2.545 2.189 2.969 . 0 0 "[ . 1 . 2]" 1
313 1 66 SER HA 1 67 ILE H 2.600 . 5.500 3.389 2.190 3.579 . 0 0 "[ . 1 . 2]" 1
314 1 66 SER HA 1 91 ILE MG 2.400 . 5.500 5.207 4.595 5.692 0.192 15 0 "[ . 1 . 2]" 1
315 1 66 SER QB 1 67 ILE HB 2.200 . 5.500 4.856 3.583 5.276 . 0 0 "[ . 1 . 2]" 1
316 1 67 ILE H 1 67 ILE HA 2.700 . 3.600 2.857 2.777 2.948 . 0 0 "[ . 1 . 2]" 1
317 1 67 ILE H 1 67 ILE HB 2.400 . 3.100 2.689 2.529 3.076 . 0 0 "[ . 1 . 2]" 1
318 1 67 ILE H 1 67 ILE MG 2.500 . 5.500 3.545 2.163 3.870 . 0 0 "[ . 1 . 2]" 1
319 1 67 ILE H 1 68 ASN H 3.100 . 5.500 4.313 1.959 4.603 . 0 0 "[ . 1 . 2]" 1
320 1 67 ILE HA 1 68 ASN H 3.100 . 4.300 2.275 2.135 3.461 . 0 0 "[ . 1 . 2]" 1
321 1 67 ILE HB 1 68 ASN H 3.200 . 4.500 4.038 2.945 4.395 . 0 0 "[ . 1 . 2]" 1
322 1 67 ILE MG 1 68 ASN H 2.700 . 3.600 2.795 2.037 3.687 0.087 15 0 "[ . 1 . 2]" 1
323 1 67 ILE MG 1 72 LEU H 2.800 . 5.500 4.802 2.815 5.595 0.095 12 0 "[ . 1 . 2]" 1
324 1 67 ILE MG 1 72 LEU HG 4.000 . 5.000 4.535 3.560 5.017 0.017 6 0 "[ . 1 . 2]" 1
325 1 68 ASN H 1 68 ASN HA 2.800 . 3.800 2.911 2.751 2.946 . 0 0 "[ . 1 . 2]" 1
326 1 68 ASN H 1 68 ASN HB2 2.900 . 4.000 2.921 2.232 3.675 . 0 0 "[ . 1 . 2]" 1
327 1 68 ASN HA 1 68 ASN HB2 2.800 . 3.800 2.864 2.647 3.027 . 0 0 "[ . 1 . 2]" 1
328 1 69 ASN HA 1 72 LEU H 3.200 . 4.000 3.897 3.494 4.130 0.130 20 0 "[ . 1 . 2]" 1
329 1 70 ILE H 1 70 ILE HA 2.700 . 3.600 2.760 2.689 2.837 . 0 0 "[ . 1 . 2]" 1
330 1 70 ILE H 1 70 ILE HB 2.900 . 4.000 2.902 2.536 3.090 . 0 0 "[ . 1 . 2]" 1
331 1 70 ILE H 1 70 ILE MD 3.000 . 4.100 2.498 1.962 3.751 . 0 0 "[ . 1 . 2]" 1
332 1 70 ILE H 1 70 ILE HG13 3.200 . 4.500 3.359 2.767 3.590 . 0 0 "[ . 1 . 2]" 1
333 1 70 ILE H 1 70 ILE MG 2.800 . 5.500 3.715 3.650 3.786 . 0 0 "[ . 1 . 2]" 1
334 1 70 ILE HA 1 73 ASP H 3.200 . 4.000 3.677 3.546 3.789 . 0 0 "[ . 1 . 2]" 1
335 1 70 ILE MD 1 70 ILE MG 2.500 . 3.300 2.011 1.658 2.270 0.042 14 0 "[ . 1 . 2]" 1
336 1 70 ILE HG13 1 70 ILE MG 2.300 . 3.000 2.373 2.206 2.947 . 0 0 "[ . 1 . 2]" 1
337 1 70 ILE MG 1 74 ALA H 4.000 . 5.000 4.426 3.833 4.985 . 0 0 "[ . 1 . 2]" 1
338 1 72 LEU H 1 72 LEU HA 2.500 . 3.300 2.817 2.788 2.843 . 0 0 "[ . 1 . 2]" 1
339 1 72 LEU H 1 72 LEU HB3 2.300 . 3.000 2.735 2.530 3.390 0.390 20 0 "[ . 1 . 2]" 1
340 1 72 LEU H 1 72 LEU HG 2.500 . 5.500 4.392 3.785 4.494 . 0 0 "[ . 1 . 2]" 1
341 1 72 LEU H 1 73 ASP H 2.600 . 3.400 2.613 2.511 2.695 . 0 0 "[ . 1 . 2]" 1
342 1 72 LEU H 1 74 ALA H 3.400 . 4.800 4.573 4.133 4.822 0.022 16 0 "[ . 1 . 2]" 1
343 1 72 LEU H 1 75 ARG H 3.300 . 5.500 4.737 4.452 4.976 . 0 0 "[ . 1 . 2]" 1
344 1 72 LEU H 1 75 ARG QB 3.000 . 5.500 4.428 4.282 4.605 . 0 0 "[ . 1 . 2]" 1
345 1 72 LEU HA 1 72 LEU HB2 2.100 . 2.700 2.569 2.469 2.909 0.209 20 0 "[ . 1 . 2]" 1
346 1 72 LEU HA 1 73 ASP H 2.900 . 4.000 3.482 3.430 3.527 . 0 0 "[ . 1 . 2]" 1
347 1 72 LEU HA 1 75 ARG H 3.200 . 4.000 3.526 3.077 3.812 . 0 0 "[ . 1 . 2]" 1
348 1 72 LEU HA 1 82 LEU MD1 2.700 . 5.500 4.909 4.352 5.256 . 0 0 "[ . 1 . 2]" 1
349 1 72 LEU HB3 1 73 ASP H 2.400 . 3.100 2.887 2.574 3.302 0.202 20 0 "[ . 1 . 2]" 1
350 1 72 LEU HB3 1 76 ASN HB2 2.500 . 5.500 5.245 3.912 5.507 0.007 12 0 "[ . 1 . 2]" 1
351 1 72 LEU HG 1 73 ASP H 2.600 . 5.500 4.534 3.994 5.145 . 0 0 "[ . 1 . 2]" 1
352 1 72 LEU HG 1 75 ARG H 2.900 . 5.500 5.268 4.758 5.530 0.030 20 0 "[ . 1 . 2]" 1
353 1 72 LEU HG 1 76 ASN H 3.300 . 4.700 4.509 4.150 4.731 0.031 13 0 "[ . 1 . 2]" 1
354 1 73 ASP H 1 73 ASP HA 2.600 . 3.400 2.829 2.808 2.849 . 0 0 "[ . 1 . 2]" 1
355 1 73 ASP H 1 73 ASP HB2 2.400 . 3.100 2.180 2.077 2.425 . 0 0 "[ . 1 . 2]" 1
356 1 73 ASP H 1 74 ALA H 2.500 . 3.300 2.762 2.585 2.875 . 0 0 "[ . 1 . 2]" 1
357 1 73 ASP H 1 75 ARG QB 3.300 . 4.700 4.481 4.313 4.599 . 0 0 "[ . 1 . 2]" 1
358 1 73 ASP H 1 82 LEU MD1 3.000 . 5.500 5.117 4.724 5.516 0.016 12 0 "[ . 1 . 2]" 1
359 1 73 ASP HA 1 73 ASP HB2 2.700 . 3.600 2.957 2.861 3.027 . 0 0 "[ . 1 . 2]" 1
360 1 73 ASP HA 1 73 ASP HB3 2.800 . 3.800 2.698 2.525 2.843 . 0 0 "[ . 1 . 2]" 1
361 1 73 ASP HA 1 75 ARG H 3.200 . 4.500 4.370 3.971 4.540 0.040 13 0 "[ . 1 . 2]" 1
362 1 73 ASP HA 1 76 ASN H 3.200 . 4.000 3.604 3.382 4.004 0.004 13 0 "[ . 1 . 2]" 1
363 1 73 ASP HA 1 76 ASN HB3 2.800 . 3.800 3.610 3.277 3.815 0.015 6 0 "[ . 1 . 2]" 1
364 1 73 ASP HB2 1 74 ALA H 2.800 . 3.800 2.622 2.336 2.892 . 0 0 "[ . 1 . 2]" 1
365 1 74 ALA H 1 74 ALA HA 2.700 . 3.600 2.820 2.794 2.864 . 0 0 "[ . 1 . 2]" 1
366 1 74 ALA H 1 82 LEU MD1 2.900 . 5.500 4.041 3.629 4.354 . 0 0 "[ . 1 . 2]" 1
367 1 74 ALA HA 1 74 ALA MB 2.100 . 2.700 2.106 2.081 2.127 . 0 0 "[ . 1 . 2]" 1
368 1 74 ALA HA 1 75 ARG H 3.200 . 4.000 3.506 3.440 3.536 . 0 0 "[ . 1 . 2]" 1
369 1 74 ALA HA 1 77 HIS H 3.200 . 4.000 3.803 3.421 3.976 . 0 0 "[ . 1 . 2]" 1
370 1 74 ALA HA 1 78 GLY HA2 2.500 . 5.500 5.472 5.176 5.556 0.056 15 0 "[ . 1 . 2]" 1
371 1 74 ALA HA 1 79 TYR QB 2.800 . 3.800 3.569 3.294 3.752 . 0 0 "[ . 1 . 2]" 1
372 1 74 ALA HA 1 79 TYR QD 4.000 . 5.000 3.724 2.761 4.930 . 0 0 "[ . 1 . 2]" 1
373 1 74 ALA MB 1 79 TYR QD 5.500 . 5.500 2.397 1.756 4.077 . 0 0 "[ . 1 . 2]" 1
374 1 74 ALA MB 1 95 ILE MD 5.500 . 5.500 3.619 3.331 3.862 . 0 0 "[ . 1 . 2]" 1
375 1 75 ARG H 1 75 ARG HA 2.500 . 3.300 2.827 2.786 2.865 . 0 0 "[ . 1 . 2]" 1
376 1 75 ARG H 1 75 ARG QB 2.300 . 3.000 2.201 2.047 2.250 . 0 0 "[ . 1 . 2]" 1
377 1 75 ARG H 1 76 ASN H 2.400 . 3.100 2.596 2.467 2.837 . 0 0 "[ . 1 . 2]" 1
378 1 75 ARG H 1 82 LEU MD1 3.000 . 5.500 3.689 3.323 3.986 . 0 0 "[ . 1 . 2]" 1
379 1 75 ARG H 1 82 LEU HG 2.500 . 3.300 3.306 2.770 3.379 0.079 13 0 "[ . 1 . 2]" 1
380 1 75 ARG HA 1 75 ARG QB 2.400 . 3.100 2.376 2.312 2.540 . 0 0 "[ . 1 . 2]" 1
381 1 75 ARG HA 1 76 ASN H 2.900 . 4.000 3.508 3.472 3.566 . 0 0 "[ . 1 . 2]" 1
382 1 75 ARG HA 1 78 GLY HA3 5.500 . 5.500 5.183 4.665 6.383 0.883 18 1 "[ . 1 . + 2]" 1
383 1 75 ARG HA 1 79 TYR H 2.800 . 3.800 3.424 2.999 3.802 0.002 16 0 "[ . 1 . 2]" 1
384 1 75 ARG QB 1 76 ASN H 2.600 . 3.400 2.730 2.297 2.958 . 0 0 "[ . 1 . 2]" 1
385 1 76 ASN H 1 76 ASN HA 2.600 . 3.400 2.803 2.735 2.853 . 0 0 "[ . 1 . 2]" 1
386 1 76 ASN H 1 76 ASN HB2 2.600 . 3.400 2.263 2.102 2.487 . 0 0 "[ . 1 . 2]" 1
387 1 76 ASN H 1 77 HIS H 2.700 . 3.600 2.906 2.649 3.029 . 0 0 "[ . 1 . 2]" 1
388 1 76 ASN HA 1 76 ASN HB3 2.800 . 3.800 2.993 2.933 3.027 . 0 0 "[ . 1 . 2]" 1
389 1 77 HIS HA 1 78 GLY H 2.900 . 4.000 3.519 3.388 3.577 . 0 0 "[ . 1 . 2]" 1
390 1 77 HIS HA 1 78 GLY HA2 5.500 . 5.500 5.090 4.835 5.210 . 0 0 "[ . 1 . 2]" 1
391 1 77 HIS HB2 1 78 GLY H 2.800 . 3.800 3.125 2.305 3.756 . 0 0 "[ . 1 . 2]" 1
392 1 78 GLY H 1 78 GLY HA2 2.700 . 3.600 2.478 2.301 2.790 . 0 0 "[ . 1 . 2]" 1
393 1 78 GLY H 1 78 GLY HA3 2.700 . 3.600 2.913 2.822 2.955 . 0 0 "[ . 1 . 2]" 1
394 1 78 GLY H 1 79 TYR H 2.600 . 3.400 3.234 2.842 3.419 0.019 9 0 "[ . 1 . 2]" 1
395 1 78 GLY HA2 1 79 TYR H 3.100 . 4.300 2.225 2.152 2.361 . 0 0 "[ . 1 . 2]" 1
396 1 78 GLY HA3 1 79 TYR H 3.100 . 4.300 3.446 3.368 3.536 . 0 0 "[ . 1 . 2]" 1
397 1 79 TYR H 1 79 TYR HA 3.000 . 4.100 2.917 2.889 2.943 . 0 0 "[ . 1 . 2]" 1
398 1 79 TYR H 1 79 TYR QB 3.000 . 4.100 2.373 2.160 2.677 . 0 0 "[ . 1 . 2]" 1
399 1 79 TYR H 1 82 LEU HG 4.000 . 5.000 4.655 4.097 5.069 0.069 11 0 "[ . 1 . 2]" 1
400 1 79 TYR HA 1 79 TYR QB 2.500 . 3.300 2.437 2.193 2.539 . 0 0 "[ . 1 . 2]" 1
401 1 79 TYR HA 1 80 THR H 2.600 . 3.400 2.931 2.657 3.455 0.055 16 0 "[ . 1 . 2]" 1
402 1 79 TYR HA 1 80 THR HG1 3.500 . 5.000 4.145 3.432 5.020 0.020 19 0 "[ . 1 . 2]" 1
403 1 79 TYR HA 1 82 LEU MD2 3.400 . 5.500 4.381 3.941 4.969 . 0 0 "[ . 1 . 2]" 1
404 1 79 TYR QB 1 79 TYR QD 2.700 . 3.600 2.177 2.136 2.319 . 0 0 "[ . 1 . 2]" 1
405 1 79 TYR QB 1 80 THR H 2.900 . 4.000 1.854 1.402 2.204 0.398 5 0 "[ . 1 . 2]" 1
406 1 79 TYR QB 1 95 ILE MD . . 3.000 2.944 2.911 2.999 . 0 0 "[ . 1 . 2]" 1
407 1 79 TYR QD 1 95 ILE MD 3.000 . 4.100 3.224 2.225 4.149 0.049 13 0 "[ . 1 . 2]" 1
408 1 80 THR H 1 80 THR HB 2.700 . 3.600 2.769 2.454 3.001 . 0 0 "[ . 1 . 2]" 1
409 1 80 THR H 1 80 THR HG1 3.100 . 4.300 2.731 1.901 3.750 . 0 0 "[ . 1 . 2]" 1
410 1 80 THR H 1 95 ILE MD 3.200 . 5.500 3.351 3.049 3.638 . 0 0 "[ . 1 . 2]" 1
411 1 80 THR HA 1 80 THR HB 2.600 . 3.400 3.005 2.964 3.028 . 0 0 "[ . 1 . 2]" 1
412 1 80 THR HA 1 80 THR HG1 2.100 . 5.500 2.960 2.197 3.692 . 0 0 "[ . 1 . 2]" 1
413 1 80 THR HA 1 81 VAL H 3.000 . 4.100 3.554 3.518 3.575 . 0 0 "[ . 1 . 2]" 1
414 1 80 THR HG1 1 81 VAL H 3.300 . 4.700 3.932 3.353 4.451 . 0 0 "[ . 1 . 2]" 1
415 1 80 THR MG 1 95 ILE MD 5.500 . 5.500 4.675 4.269 5.095 . 0 0 "[ . 1 . 2]" 1
416 1 81 VAL H 1 82 LEU HA 2.800 . 5.500 4.883 4.648 5.044 . 0 0 "[ . 1 . 2]" 1
417 1 81 VAL H 1 82 LEU MD2 3.200 . 4.500 3.480 3.080 3.885 . 0 0 "[ . 1 . 2]" 1
418 1 81 VAL H 1 96 GLN QG 3.000 . 4.100 3.981 3.762 4.055 . 0 0 "[ . 1 . 2]" 1
419 1 81 VAL HA 1 82 LEU H 2.700 . 3.600 2.140 2.120 2.222 . 0 0 "[ . 1 . 2]" 1
420 1 81 VAL HA 1 95 ILE HB 3.400 . 5.500 5.247 5.138 5.299 . 0 0 "[ . 1 . 2]" 1
421 1 82 LEU H 1 82 LEU HA 2.700 . 3.600 2.943 2.935 2.947 . 0 0 "[ . 1 . 2]" 1
422 1 82 LEU H 1 82 LEU HB2 2.400 . 3.100 2.492 2.416 2.633 . 0 0 "[ . 1 . 2]" 1
423 1 82 LEU H 1 82 LEU MD1 2.600 . 5.500 4.248 3.538 4.493 . 0 0 "[ . 1 . 2]" 1
424 1 82 LEU H 1 82 LEU MD2 2.700 . 5.500 3.160 2.303 3.520 . 0 0 "[ . 1 . 2]" 1
425 1 82 LEU H 1 82 LEU HG 3.000 . 5.500 4.644 4.376 4.875 . 0 0 "[ . 1 . 2]" 1
426 1 82 LEU H 1 83 ASP H 2.600 . 5.500 4.036 3.889 4.214 . 0 0 "[ . 1 . 2]" 1
427 1 82 LEU H 1 83 ASP HA 2.800 . 5.500 4.875 4.732 5.055 . 0 0 "[ . 1 . 2]" 1
428 1 82 LEU H 1 95 ILE HB 3.300 . 4.700 4.803 4.775 4.861 0.161 18 0 "[ . 1 . 2]" 1
429 1 82 LEU H 1 95 ILE MD 5.500 . 5.500 5.414 5.138 5.556 0.056 7 0 "[ . 1 . 2]" 1
430 1 82 LEU H 1 95 ILE MG 2.900 . 5.500 5.236 5.048 5.502 0.002 20 0 "[ . 1 . 2]" 1
431 1 82 LEU HA 1 82 LEU HB2 2.500 . 3.300 2.918 2.857 3.024 . 0 0 "[ . 1 . 2]" 1
432 1 82 LEU HA 1 82 LEU HB3 2.600 . 3.400 2.750 2.472 2.847 . 0 0 "[ . 1 . 2]" 1
433 1 82 LEU HA 1 82 LEU MD1 2.000 . 2.500 2.133 1.757 2.509 0.009 18 0 "[ . 1 . 2]" 1
434 1 82 LEU HA 1 83 ASP H 2.600 . 3.400 2.186 2.141 2.231 . 0 0 "[ . 1 . 2]" 1
435 1 82 LEU HA 1 95 ILE HA 2.300 . 3.000 2.930 2.818 3.023 0.023 5 0 "[ . 1 . 2]" 1
436 1 82 LEU HA 1 95 ILE MD 4.000 . 5.000 4.382 4.169 4.506 . 0 0 "[ . 1 . 2]" 1
437 1 82 LEU HA 1 96 GLN H 3.100 . 4.300 4.241 4.131 4.318 0.018 6 0 "[ . 1 . 2]" 1
438 1 82 LEU HB2 1 83 ASP H 2.500 . 5.500 4.582 4.392 4.646 . 0 0 "[ . 1 . 2]" 1
439 1 82 LEU HB3 1 83 ASP HA 5.500 . 5.500 4.351 4.189 4.621 . 0 0 "[ . 1 . 2]" 1
440 1 82 LEU MD1 1 83 ASP H 2.500 . 5.500 3.221 2.703 3.830 . 0 0 "[ . 1 . 2]" 1
441 1 82 LEU MD1 1 94 LEU H 3.100 . 5.500 4.633 4.151 5.509 0.009 20 0 "[ . 1 . 2]" 1
442 1 82 LEU MD2 1 83 ASP H 2.600 . 5.500 4.141 3.654 4.888 . 0 0 "[ . 1 . 2]" 1
443 1 83 ASP H 1 83 ASP HA 2.500 . 3.300 2.943 2.913 2.949 . 0 0 "[ . 1 . 2]" 1
444 1 83 ASP H 1 83 ASP HB2 2.800 . 3.800 2.809 2.471 3.763 . 0 0 "[ . 1 . 2]" 1
445 1 83 ASP H 1 84 ILE H 3.300 . 4.700 4.459 4.389 4.491 . 0 0 "[ . 1 . 2]" 1
446 1 83 ASP H 1 94 LEU H 2.800 . 3.800 3.761 3.579 3.843 0.043 14 0 "[ . 1 . 2]" 1
447 1 83 ASP H 1 94 LEU HA 3.300 . 5.500 5.265 5.107 5.389 . 0 0 "[ . 1 . 2]" 1
448 1 83 ASP H 1 94 LEU HG 3.100 . 4.300 4.226 4.027 4.331 0.031 15 0 "[ . 1 . 2]" 1
449 1 83 ASP H 1 95 ILE HB 2.800 . 5.500 4.186 3.898 4.356 . 0 0 "[ . 1 . 2]" 1
450 1 83 ASP H 1 95 ILE MG 2.900 . 5.500 3.409 3.152 3.892 . 0 0 "[ . 1 . 2]" 1
451 1 83 ASP HA 1 84 ILE H 1.900 . 5.500 2.349 2.205 2.455 . 0 0 "[ . 1 . 2]" 1
452 1 83 ASP HA 1 84 ILE HA 2.800 . 5.500 4.459 4.409 4.484 . 0 0 "[ . 1 . 2]" 1
453 1 83 ASP HA 1 84 ILE MG 2.900 . 4.000 3.280 3.124 3.506 . 0 0 "[ . 1 . 2]" 1
454 1 83 ASP HA 1 94 LEU H 3.000 . 5.500 5.112 4.961 5.258 . 0 0 "[ . 1 . 2]" 1
455 1 83 ASP HA 1 94 LEU HG 3.200 . 5.500 5.426 5.185 5.531 0.031 19 0 "[ . 1 . 2]" 1
456 1 83 ASP HB2 1 84 ILE H 2.800 . 3.800 3.759 2.601 4.301 0.501 14 1 "[ . 1 +. 2]" 1
457 1 84 ILE H 1 84 ILE HA 2.600 . 3.400 2.931 2.921 2.945 . 0 0 "[ . 1 . 2]" 1
458 1 84 ILE H 1 84 ILE HB 2.300 . 5.500 3.911 3.859 3.937 . 0 0 "[ . 1 . 2]" 1
459 1 84 ILE H 1 84 ILE QG 2.500 . 3.300 2.723 2.401 3.177 . 0 0 "[ . 1 . 2]" 1
460 1 84 ILE H 1 84 ILE MG 3.100 . 4.300 2.848 2.588 3.029 . 0 0 "[ . 1 . 2]" 1
461 1 84 ILE H 1 85 GLN H 3.200 . 4.500 4.418 4.378 4.469 . 0 0 "[ . 1 . 2]" 1
462 1 84 ILE H 1 94 LEU HG 3.100 . 5.500 5.008 4.600 5.490 . 0 0 "[ . 1 . 2]" 1
463 1 84 ILE HA 1 84 ILE HB 2.700 . 3.600 2.385 2.349 2.421 . 0 0 "[ . 1 . 2]" 1
464 1 84 ILE HA 1 84 ILE QG 3.200 . 4.000 3.358 3.296 3.464 . 0 0 "[ . 1 . 2]" 1
465 1 84 ILE HA 1 84 ILE MG 2.800 . 3.800 2.432 2.325 2.534 . 0 0 "[ . 1 . 2]" 1
466 1 84 ILE HA 1 85 GLN H 2.100 . 2.700 2.482 2.375 2.611 . 0 0 "[ . 1 . 2]" 1
467 1 84 ILE HA 1 93 TYR HA 2.200 . 2.800 2.038 1.759 2.372 . 0 0 "[ . 1 . 2]" 1
468 1 84 ILE HA 1 94 LEU H 3.200 . 4.000 2.810 2.583 3.076 . 0 0 "[ . 1 . 2]" 1
469 1 84 ILE HB 1 84 ILE QG 2.000 . 2.500 2.315 2.183 2.421 . 0 0 "[ . 1 . 2]" 1
470 1 84 ILE HB 1 84 ILE MG 2.300 . 3.000 2.116 2.094 2.126 . 0 0 "[ . 1 . 2]" 1
471 1 84 ILE HB 1 85 GLN H 2.600 . 3.400 2.210 1.988 2.469 . 0 0 "[ . 1 . 2]" 1
472 1 84 ILE HB 1 91 ILE MD 3.200 . 4.000 3.423 3.128 3.560 . 0 0 "[ . 1 . 2]" 1
473 1 84 ILE HB 1 94 LEU H 3.300 . 4.700 4.694 4.456 4.774 0.074 13 0 "[ . 1 . 2]" 1
474 1 84 ILE QG 1 84 ILE MG 1.900 . 2.400 2.297 2.198 2.381 . 0 0 "[ . 1 . 2]" 1
475 1 84 ILE QG 1 85 GLN H 2.800 . 3.800 3.096 2.831 3.318 . 0 0 "[ . 1 . 2]" 1
476 1 84 ILE QG 1 91 ILE MD 3.200 . 4.000 3.690 2.914 4.035 0.035 4 0 "[ . 1 . 2]" 1
477 1 84 ILE MG 1 91 ILE MD 3.200 . 4.000 4.021 3.994 4.052 0.052 1 0 "[ . 1 . 2]" 1
478 1 84 ILE MG 1 93 TYR H 3.300 . 4.700 4.741 4.707 4.786 0.086 20 0 "[ . 1 . 2]" 1
479 1 84 ILE MG 1 93 TYR HA 2.800 . 3.800 2.763 2.297 3.393 . 0 0 "[ . 1 . 2]" 1
480 1 85 GLN H 1 85 GLN QB 2.800 . 3.800 2.762 2.722 2.810 . 0 0 "[ . 1 . 2]" 1
481 1 85 GLN H 1 85 GLN HG2 2.900 . 5.500 4.648 4.163 5.137 . 0 0 "[ . 1 . 2]" 1
482 1 85 GLN H 1 91 ILE MD 3.000 . 5.500 4.003 3.834 4.154 . 0 0 "[ . 1 . 2]" 1
483 1 85 GLN H 1 92 ARG H 3.200 . 4.000 3.568 3.235 3.863 . 0 0 "[ . 1 . 2]" 1
484 1 85 GLN H 1 93 TYR HA 3.100 . 4.300 3.083 2.645 3.593 . 0 0 "[ . 1 . 2]" 1
485 1 85 GLN HA 1 85 GLN QB 2.400 . 3.100 2.495 2.445 2.536 . 0 0 "[ . 1 . 2]" 1
486 1 85 GLN HA 1 85 GLN HG3 2.500 . 3.300 2.737 2.118 3.521 0.221 10 0 "[ . 1 . 2]" 1
487 1 85 GLN HA 1 92 ARG H 2.600 . 5.500 5.154 4.976 5.341 . 0 0 "[ . 1 . 2]" 1
488 1 85 GLN QB 1 92 ARG H 3.100 . 4.300 3.856 3.546 4.106 . 0 0 "[ . 1 . 2]" 1
489 1 86 GLN HA 1 86 GLN HG3 2.800 . 3.800 2.997 2.119 4.078 0.278 5 0 "[ . 1 . 2]" 1
490 1 86 GLN HA 1 91 ILE HA 2.400 . 3.000 2.504 2.321 2.989 . 0 0 "[ . 1 . 2]" 1
491 1 86 GLN HA 1 91 ILE MD 2.800 . 3.800 3.596 3.079 3.821 0.021 19 0 "[ . 1 . 2]" 1
492 1 86 GLN HA 1 91 ILE MG 4.000 . 5.000 4.860 4.668 5.001 0.001 7 0 "[ . 1 . 2]" 1
493 1 86 GLN QB 1 91 ILE MD 2.900 . 4.000 3.054 2.064 3.862 . 0 0 "[ . 1 . 2]" 1
494 1 86 GLN QG 1 91 ILE MD 3.200 . 4.000 2.814 1.886 3.830 . 0 0 "[ . 1 . 2]" 1
495 1 86 GLN HG3 1 91 ILE MD 3.000 . 4.100 3.237 1.904 4.622 0.522 12 1 "[ . 1 + . 2]" 1
496 1 87 ASP H 1 90 THR H 3.200 . 4.000 4.037 4.009 4.058 0.058 17 0 "[ . 1 . 2]" 1
497 1 87 ASP H 1 91 ILE HA 2.500 . 3.300 2.948 2.101 3.216 . 0 0 "[ . 1 . 2]" 1
498 1 87 ASP H 1 91 ILE MG 2.900 . 5.500 5.383 4.831 5.537 0.037 13 0 "[ . 1 . 2]" 1
499 1 90 THR HA 1 90 THR HB 2.800 . 3.800 2.464 2.328 2.623 . 0 0 "[ . 1 . 2]" 1
500 1 90 THR HA 1 90 THR MG 2.700 . 3.600 2.397 2.124 2.663 . 0 0 "[ . 1 . 2]" 1
501 1 90 THR HA 1 91 ILE H 2.400 . 3.100 2.574 2.477 2.691 . 0 0 "[ . 1 . 2]" 1
502 1 90 THR HA 1 91 ILE HB 5.500 . 5.500 4.321 4.205 4.452 . 0 0 "[ . 1 . 2]" 1
503 1 90 THR HA 1 91 ILE MG 2.700 . 3.600 3.525 3.182 3.642 0.042 19 0 "[ . 1 . 2]" 1
504 1 90 THR HB 1 91 ILE H 3.000 . 4.100 2.109 1.892 2.306 0.008 8 0 "[ . 1 . 2]" 1
505 1 90 THR MG 1 91 ILE H 2.700 . 5.500 3.590 3.248 3.844 . 0 0 "[ . 1 . 2]" 1
506 1 91 ILE H 1 91 ILE HA 3.000 . 4.100 2.915 2.902 2.933 . 0 0 "[ . 1 . 2]" 1
507 1 91 ILE H 1 91 ILE HB 2.600 . 3.400 3.346 3.251 3.453 0.053 14 0 "[ . 1 . 2]" 1
508 1 91 ILE H 1 91 ILE MG 2.800 . 3.800 2.292 2.068 2.501 . 0 0 "[ . 1 . 2]" 1
509 1 91 ILE H 1 92 ARG H 3.200 . 4.500 4.333 4.236 4.423 . 0 0 "[ . 1 . 2]" 1
510 1 91 ILE HA 1 91 ILE HB 2.700 . 3.600 2.430 2.364 2.474 . 0 0 "[ . 1 . 2]" 1
511 1 91 ILE HA 1 91 ILE MG 2.500 . 3.300 3.197 3.177 3.211 . 0 0 "[ . 1 . 2]" 1
512 1 91 ILE HA 1 92 ARG H 2.400 . 3.100 2.247 2.168 2.315 . 0 0 "[ . 1 . 2]" 1
513 1 91 ILE HA 1 93 TYR QE 4.000 . 5.000 5.007 4.704 5.074 0.074 3 0 "[ . 1 . 2]" 1
514 1 91 ILE HB 1 91 ILE MD 2.100 . 2.700 2.291 2.158 2.403 . 0 0 "[ . 1 . 2]" 1
515 1 91 ILE HB 1 91 ILE MG 2.400 . 3.100 2.121 2.092 2.128 . 0 0 "[ . 1 . 2]" 1
516 1 91 ILE MD 1 91 ILE MG 2.000 . 2.500 2.227 1.972 2.507 0.007 7 0 "[ . 1 . 2]" 1
517 1 91 ILE MD 1 92 ARG H 2.600 . 5.500 3.872 3.514 4.180 . 0 0 "[ . 1 . 2]" 1
518 1 91 ILE MD 1 93 TYR QE 3.200 . 4.000 2.383 1.854 3.042 . 0 0 "[ . 1 . 2]" 1
519 1 91 ILE MG 1 92 ARG H 3.300 . 5.500 3.802 3.593 4.077 . 0 0 "[ . 1 . 2]" 1
520 1 92 ARG H 1 92 ARG HB2 2.500 . 3.300 3.509 3.210 3.900 0.600 2 4 "[ + . * 1 - .* 2]" 1
521 1 92 ARG H 1 92 ARG QD 3.200 . 4.500 4.180 3.480 4.430 . 0 0 "[ . 1 . 2]" 1
522 1 92 ARG H 1 92 ARG QG 2.900 . 4.000 3.618 2.598 3.863 . 0 0 "[ . 1 . 2]" 1
523 1 92 ARG HA 1 92 ARG HB2 2.300 . 3.000 2.294 2.241 2.356 . 0 0 "[ . 1 . 2]" 1
524 1 92 ARG HA 1 92 ARG HB3 2.500 . 3.300 2.916 2.639 3.010 . 0 0 "[ . 1 . 2]" 1
525 1 92 ARG HA 1 93 TYR H 2.400 . 3.100 2.184 2.155 2.235 . 0 0 "[ . 1 . 2]" 1
526 1 92 ARG HB2 1 93 TYR H 4.000 . 5.000 3.710 2.951 4.041 . 0 0 "[ . 1 . 2]" 1
527 1 92 ARG QG 1 93 TYR HA 3.200 . 4.500 3.326 3.221 3.526 . 0 0 "[ . 1 . 2]" 1
528 1 92 ARG QG 1 94 LEU HA 5.500 . 5.500 5.067 4.734 5.372 . 0 0 "[ . 1 . 2]" 1
529 1 92 ARG QG 1 94 LEU HG 5.500 . 5.500 4.409 3.902 4.895 . 0 0 "[ . 1 . 2]" 1
530 1 93 TYR H 1 93 TYR HA 3.000 . 4.100 2.943 2.932 2.950 . 0 0 "[ . 1 . 2]" 1
531 1 93 TYR H 1 93 TYR HB2 3.200 . 4.500 3.052 2.809 3.319 . 0 0 "[ . 1 . 2]" 1
532 1 93 TYR HA 1 93 TYR HB2 2.600 . 3.400 2.955 2.853 3.022 . 0 0 "[ . 1 . 2]" 1
533 1 93 TYR HA 1 93 TYR HB3 2.800 . 3.800 2.300 2.229 2.388 . 0 0 "[ . 1 . 2]" 1
534 1 93 TYR HA 1 93 TYR QD 3.000 . 4.100 3.211 2.793 3.409 . 0 0 "[ . 1 . 2]" 1
535 1 93 TYR HA 1 94 LEU H 2.600 . 3.400 2.320 2.181 2.456 . 0 0 "[ . 1 . 2]" 1
536 1 93 TYR HA 1 94 LEU HG 3.300 . 4.700 3.714 3.345 4.406 . 0 0 "[ . 1 . 2]" 1
537 1 93 TYR HB2 1 94 LEU H 3.100 . 4.300 3.402 2.767 4.192 . 0 0 "[ . 1 . 2]" 1
538 1 94 LEU H 1 94 LEU HA 2.900 . 4.000 2.908 2.884 2.945 . 0 0 "[ . 1 . 2]" 1
539 1 94 LEU H 1 94 LEU HB2 2.900 . 4.000 3.786 3.654 3.897 . 0 0 "[ . 1 . 2]" 1
540 1 94 LEU H 1 94 LEU MD2 2.900 . 4.000 2.903 2.372 3.283 . 0 0 "[ . 1 . 2]" 1
541 1 94 LEU H 1 94 LEU HG 3.000 . 4.100 2.282 1.997 2.548 . 0 0 "[ . 1 . 2]" 1
542 1 94 LEU H 1 95 ILE MG 3.100 . 5.500 3.823 3.624 4.119 . 0 0 "[ . 1 . 2]" 1
543 1 94 LEU HA 1 94 LEU HB2 2.800 . 3.800 2.615 2.518 2.682 . 0 0 "[ . 1 . 2]" 1
544 1 94 LEU HA 1 94 LEU HB3 2.500 . 3.300 2.294 2.260 2.361 . 0 0 "[ . 1 . 2]" 1
545 1 94 LEU HA 1 94 LEU HG 2.900 . 4.000 3.616 3.558 3.675 . 0 0 "[ . 1 . 2]" 1
546 1 94 LEU HA 1 95 ILE MG 3.200 . 4.500 3.068 2.871 3.201 . 0 0 "[ . 1 . 2]" 1
547 1 94 LEU HB2 1 95 ILE MG 2.800 . 5.500 4.460 4.256 4.556 . 0 0 "[ . 1 . 2]" 1
548 1 94 LEU MD2 1 94 LEU HG 2.400 . 3.100 2.100 2.082 2.126 . 0 0 "[ . 1 . 2]" 1
549 1 95 ILE HA 1 95 ILE HB 2.900 . 4.000 2.255 2.229 2.276 . 0 0 "[ . 1 . 2]" 1
550 1 95 ILE HA 1 95 ILE MD 2.500 . 3.300 3.341 3.315 3.367 0.067 1 0 "[ . 1 . 2]" 1
551 1 95 ILE HA 1 95 ILE QG 2.800 . 3.800 3.372 3.327 3.396 . 0 0 "[ . 1 . 2]" 1
552 1 95 ILE HB 1 95 ILE MD 2.000 . 2.500 2.229 2.171 2.270 . 0 0 "[ . 1 . 2]" 1
553 1 95 ILE HB 1 95 ILE MG 2.100 . 2.700 2.117 2.080 2.126 . 0 0 "[ . 1 . 2]" 1
554 1 95 ILE MD 1 95 ILE QG 2.100 . 2.700 1.872 1.857 1.884 . 0 0 "[ . 1 . 2]" 1
555 1 95 ILE MD 1 95 ILE MG 2.800 . 5.500 3.085 3.062 3.123 . 0 0 "[ . 1 . 2]" 1
556 1 95 ILE MD 1 96 GLN H 2.700 . 3.600 2.140 1.966 2.323 . 0 0 "[ . 1 . 2]" 1
557 1 95 ILE MD 1 96 GLN HA 2.600 . 3.400 2.831 2.747 3.023 . 0 0 "[ . 1 . 2]" 1
558 1 95 ILE MD 1 96 GLN HB3 5.500 . 5.500 4.439 4.343 4.562 . 0 0 "[ . 1 . 2]" 1
559 1 95 ILE MG 1 96 GLN H 3.400 . 4.800 4.114 4.056 4.188 . 0 0 "[ . 1 . 2]" 1
560 1 96 GLN H 1 96 GLN HB2 2.800 . 3.800 3.941 3.829 3.994 0.194 18 0 "[ . 1 . 2]" 1
561 1 96 GLN H 1 96 GLN QG 3.000 . 4.100 2.502 2.252 2.920 . 0 0 "[ . 1 . 2]" 1
562 1 96 GLN H 1 97 LYS HA 3.300 . 4.700 4.689 4.664 4.749 0.049 12 0 "[ . 1 . 2]" 1
563 1 96 GLN HA 1 96 GLN HB3 2.500 . 3.300 2.463 2.335 2.676 . 0 0 "[ . 1 . 2]" 1
564 1 96 GLN HA 1 97 LYS H 2.600 . 3.400 2.407 2.248 2.678 . 0 0 "[ . 1 . 2]" 1
565 1 96 GLN HA 1 97 LYS HA 5.500 . 5.500 4.442 4.416 4.507 . 0 0 "[ . 1 . 2]" 1
566 1 96 GLN HB3 1 97 LYS HA 5.500 . 5.500 5.706 5.611 5.747 0.247 5 0 "[ . 1 . 2]" 1
567 1 97 LYS H 1 97 LYS HA 3.000 . 4.100 2.945 2.928 2.951 . 0 0 "[ . 1 . 2]" 1
568 1 97 LYS H 1 97 LYS HB2 2.800 . 3.800 3.203 2.507 3.796 . 0 0 "[ . 1 . 2]" 1
569 1 97 LYS H 1 97 LYS QG 3.200 . 4.500 3.860 2.276 4.168 . 0 0 "[ . 1 . 2]" 1
570 1 97 LYS HA 1 97 LYS HB2 2.700 . 3.600 2.435 2.292 2.820 . 0 0 "[ . 1 . 2]" 1
571 1 97 LYS HA 1 97 LYS HB3 2.700 . 3.600 2.969 2.522 3.024 . 0 0 "[ . 1 . 2]" 1
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