NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401294 |
1vg5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1vg5
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 968
_Distance_constraint_stats_list.Viol_count 1301
_Distance_constraint_stats_list.Viol_total 2106.091
_Distance_constraint_stats_list.Viol_max 0.926
_Distance_constraint_stats_list.Viol_rms 0.0412
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0809
_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 9 ARG 0.132 0.099 7 0 "[ . 1 . 2]"
1 10 GLN 0.132 0.099 7 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ILE 0.266 0.129 3 0 "[ . 1 . 2]"
1 14 ALA 0.165 0.156 6 0 "[ . 1 . 2]"
1 15 ASN 0.156 0.156 6 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 VAL 1.463 0.286 10 0 "[ . 1 . 2]"
1 19 LEU 7.562 0.543 8 4 "[ . *+ 1 * .- 2]"
1 20 PRO 4.585 0.543 8 4 "[ . *+ 1 * .- 2]"
1 21 GLN 1.725 0.290 11 0 "[ . 1 . 2]"
1 22 SER 0.125 0.102 10 0 "[ . 1 . 2]"
1 23 GLN 0.220 0.071 20 0 "[ . 1 . 2]"
1 24 GLY 0.198 0.071 20 0 "[ . 1 . 2]"
1 25 ARG 5.725 0.551 15 1 "[ . 1 + 2]"
1 26 VAL 1.439 0.224 14 0 "[ . 1 . 2]"
1 27 ALA 0.542 0.126 14 0 "[ . 1 . 2]"
1 28 ALA 0.701 0.087 19 0 "[ . 1 . 2]"
1 29 SER 10.335 0.926 3 9 "[ + * * * * * ***]"
1 30 GLU 3.194 0.843 10 2 "[ - . + . 2]"
1 31 GLU 9.459 0.804 5 3 "[ - + 1 * 2]"
1 32 GLN 23.020 0.926 3 10 "[ + . - *** * ****]"
1 33 ILE 6.515 0.846 11 1 "[ . 1+ . 2]"
1 34 GLN 3.684 0.843 10 1 "[ . + . 2]"
1 35 LYS 0.394 0.061 11 0 "[ . 1 . 2]"
1 36 LEU 5.964 0.518 10 3 "[ . + - . *]"
1 37 VAL 1.294 0.199 3 0 "[ . 1 . 2]"
1 38 ALA 0.600 0.075 18 0 "[ . 1 . 2]"
1 39 MET 0.067 0.012 7 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PHE 0.958 0.091 15 0 "[ . 1 . 2]"
1 42 ASP 2.036 0.739 3 2 "[ + . 1 . - 2]"
1 43 ARG 1.130 0.095 17 0 "[ . 1 . 2]"
1 44 THR 0.979 0.077 10 0 "[ . 1 . 2]"
1 45 GLN 7.635 0.739 3 5 "[ + . 1 * . ** -]"
1 46 VAL 4.417 0.124 11 0 "[ . 1 . 2]"
1 47 GLU 1.917 0.077 10 0 "[ . 1 . 2]"
1 48 VAL 10.614 0.604 17 8 "[ . 1 -**.*+***]"
1 49 ALA 11.264 0.578 16 4 "[ . 1 - *.+ *2]"
1 50 LEU 5.608 0.267 15 0 "[ . 1 . 2]"
1 51 ALA 0.111 0.034 10 0 "[ . 1 . 2]"
1 52 ALA 0.199 0.045 15 0 "[ . 1 . 2]"
1 53 ALA 1.134 0.743 5 1 "[ + 1 . 2]"
1 54 ASP 1.094 0.743 5 1 "[ + 1 . 2]"
1 55 ASP 0.188 0.021 18 0 "[ . 1 . 2]"
1 56 ASP 0.213 0.036 18 0 "[ . 1 . 2]"
1 57 LEU 0.507 0.349 19 0 "[ . 1 . 2]"
1 58 THR 1.073 0.506 15 1 "[ . 1 + 2]"
1 59 VAL 1.711 0.709 15 1 "[ . 1 + 2]"
1 60 ALA 1.025 0.126 15 0 "[ . 1 . 2]"
1 61 VAL 1.726 0.091 20 0 "[ . 1 . 2]"
1 62 GLU 6.161 0.709 15 1 "[ . 1 + 2]"
1 63 ILE 3.062 0.666 15 1 "[ . 1 + 2]"
1 64 LEU 9.208 0.814 11 2 "[ . 1+ - . 2]"
1 65 MET 2.978 0.129 10 0 "[ . 1 . 2]"
1 66 SER 0.090 0.040 10 0 "[ . 1 . 2]"
1 67 GLN 6.014 0.814 11 2 "[ . 1+ - . 2]"
1 68 SER 0.594 0.190 7 0 "[ . 1 . 2]"
1 69 GLY 0.093 0.043 18 0 "[ . 1 . 2]"
1 70 PRO 0.093 0.043 18 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 9 ARG HA 1 9 ARG QG . . 3.970 2.336 1.992 3.379 . 0 0 "[ . 1 . 2]" 1
2 1 9 ARG HA 1 10 GLN H . . 3.520 2.513 2.226 3.619 0.099 7 0 "[ . 1 . 2]" 1
3 1 9 ARG HB3 1 9 ARG QG . . 2.630 2.366 2.179 2.566 . 0 0 "[ . 1 . 2]" 1
4 1 10 GLN H 1 10 GLN HB3 . . 4.200 3.404 2.489 4.089 . 0 0 "[ . 1 . 2]" 1
5 1 10 GLN HA 1 11 ALA H . . 3.240 2.406 2.202 3.006 . 0 0 "[ . 1 . 2]" 1
6 1 11 ALA HA 1 12 PRO QG . . 5.170 3.883 3.816 3.956 . 0 0 "[ . 1 . 2]" 1
7 1 11 ALA MB 1 12 PRO HD2 . . 3.910 2.980 2.368 3.738 . 0 0 "[ . 1 . 2]" 1
8 1 11 ALA MB 1 12 PRO HD3 . . 4.420 3.481 3.129 3.914 . 0 0 "[ . 1 . 2]" 1
9 1 12 PRO HA 1 13 ILE H . . 2.910 2.352 2.159 2.571 . 0 0 "[ . 1 . 2]" 1
10 1 12 PRO HB2 1 13 ILE H . . 4.580 3.652 2.391 4.448 . 0 0 "[ . 1 . 2]" 1
11 1 13 ILE H 1 13 ILE HB . . 3.980 3.073 2.289 3.780 . 0 0 "[ . 1 . 2]" 1
12 1 13 ILE H 1 13 ILE HG12 . . 4.170 3.451 2.216 4.167 . 0 0 "[ . 1 . 2]" 1
13 1 13 ILE H 1 13 ILE HG13 . . 4.130 2.704 1.956 4.259 0.129 3 0 "[ . 1 . 2]" 1
14 1 13 ILE H 1 13 ILE MG . . 4.320 3.156 1.882 3.764 . 0 0 "[ . 1 . 2]" 1
15 1 13 ILE H 1 14 ALA MB . . 4.690 4.356 3.675 4.632 . 0 0 "[ . 1 . 2]" 1
16 1 13 ILE HA 1 14 ALA H . . 3.130 2.222 2.177 2.342 . 0 0 "[ . 1 . 2]" 1
17 1 13 ILE HA 1 14 ALA MB . . 4.890 3.981 3.728 4.194 . 0 0 "[ . 1 . 2]" 1
18 1 13 ILE HB 1 14 ALA H . . 5.060 3.844 2.779 4.553 . 0 0 "[ . 1 . 2]" 1
19 1 13 ILE MG 1 14 ALA H . . 4.440 3.444 1.981 4.448 0.008 7 0 "[ . 1 . 2]" 1
20 1 14 ALA H 1 14 ALA MB . . 3.620 2.773 2.508 2.926 . 0 0 "[ . 1 . 2]" 1
21 1 14 ALA HA 1 15 ASN H . . 3.460 2.392 2.187 3.616 0.156 6 0 "[ . 1 . 2]" 1
22 1 14 ALA MB 1 15 ASN HA . . 5.080 4.191 3.985 4.409 . 0 0 "[ . 1 . 2]" 1
23 1 15 ASN HA 1 16 ALA H . . 3.460 2.357 2.252 2.494 . 0 0 "[ . 1 . 2]" 1
24 1 16 ALA H 1 16 ALA MB . . 3.610 2.211 2.011 2.430 . 0 0 "[ . 1 . 2]" 1
25 1 16 ALA HA 1 17 ALA H . . 3.240 2.253 2.186 2.379 . 0 0 "[ . 1 . 2]" 1
26 1 17 ALA H 1 17 ALA MB . . 3.270 2.213 1.981 2.353 . 0 0 "[ . 1 . 2]" 1
27 1 17 ALA MB 1 18 VAL H . . 4.080 2.900 2.671 3.457 . 0 0 "[ . 1 . 2]" 1
28 1 17 ALA MB 1 19 LEU H . . 4.760 4.385 2.840 4.758 . 0 0 "[ . 1 . 2]" 1
29 1 18 VAL H 1 18 VAL HB . . 3.790 3.054 2.381 3.778 . 0 0 "[ . 1 . 2]" 1
30 1 18 VAL H 1 18 VAL MG1 . . 4.700 2.670 1.939 3.902 . 0 0 "[ . 1 . 2]" 1
31 1 18 VAL H 1 18 VAL MG2 . . 3.740 3.330 2.028 4.026 0.286 10 0 "[ . 1 . 2]" 1
32 1 18 VAL HA 1 18 VAL MG1 . . 3.750 2.873 2.253 3.217 . 0 0 "[ . 1 . 2]" 1
33 1 18 VAL HA 1 19 LEU H . . 2.860 2.253 2.182 2.619 . 0 0 "[ . 1 . 2]" 1
34 1 18 VAL HB 1 19 LEU H . . 4.480 4.364 3.601 4.484 0.004 11 0 "[ . 1 . 2]" 1
35 1 18 VAL MG1 1 19 LEU H . . 4.440 3.974 2.815 4.333 . 0 0 "[ . 1 . 2]" 1
36 1 19 LEU H 1 19 LEU HB2 . . 3.520 3.103 2.199 3.819 0.299 2 0 "[ . 1 . 2]" 1
37 1 19 LEU H 1 19 LEU HB3 . . 4.020 3.076 2.252 3.604 . 0 0 "[ . 1 . 2]" 1
38 1 19 LEU H 1 19 LEU MD2 . . 5.240 3.320 1.907 4.462 . 0 0 "[ . 1 . 2]" 1
39 1 19 LEU H 1 19 LEU HG . . 4.190 3.166 1.952 4.205 0.015 4 0 "[ . 1 . 2]" 1
40 1 19 LEU HA 1 19 LEU MD2 . . 3.710 3.355 2.238 4.075 0.365 12 0 "[ . 1 . 2]" 1
41 1 19 LEU HA 1 20 PRO HD2 . . 3.230 2.519 2.177 2.607 . 0 0 "[ . 1 . 2]" 1
42 1 19 LEU HA 1 20 PRO HD3 . . 3.260 1.971 1.926 2.175 . 0 0 "[ . 1 . 2]" 1
43 1 19 LEU HB2 1 20 PRO HD2 . . 4.370 3.369 2.308 4.141 . 0 0 "[ . 1 . 2]" 1
44 1 19 LEU HB3 1 20 PRO HD2 . . 3.840 3.420 2.323 4.383 0.543 8 4 "[ . *+ 1 * .- 2]" 1
45 1 19 LEU HB3 1 20 PRO HD3 . . 4.640 3.982 3.308 4.625 . 0 0 "[ . 1 . 2]" 1
46 1 19 LEU MD2 1 20 PRO HD2 . . 5.500 3.878 1.823 5.680 0.180 8 0 "[ . 1 . 2]" 1
47 1 19 LEU MD2 1 20 PRO HD3 . . 5.500 4.341 2.270 5.704 0.204 12 0 "[ . 1 . 2]" 1
48 1 20 PRO HA 1 21 GLN H . . 3.140 2.386 2.149 2.638 . 0 0 "[ . 1 . 2]" 1
49 1 20 PRO HB3 1 21 GLN H . . 4.400 3.841 3.196 4.690 0.290 11 0 "[ . 1 . 2]" 1
50 1 21 GLN H 1 21 GLN HB3 . . 3.780 3.266 2.312 4.054 0.274 2 0 "[ . 1 . 2]" 1
51 1 21 GLN H 1 21 GLN QG . . 4.330 3.655 1.950 4.187 . 0 0 "[ . 1 . 2]" 1
52 1 21 GLN HA 1 22 SER H . . 3.420 2.500 2.202 3.522 0.102 10 0 "[ . 1 . 2]" 1
53 1 22 SER H 1 23 GLN H . . 4.570 3.825 1.994 4.556 . 0 0 "[ . 1 . 2]" 1
54 1 22 SER HA 1 23 GLN H . . 3.590 2.481 2.220 3.613 0.023 12 0 "[ . 1 . 2]" 1
55 1 22 SER HB2 1 23 GLN H . . 5.190 4.071 1.958 4.739 . 0 0 "[ . 1 . 2]" 1
56 1 22 SER HB3 1 23 GLN H . . 5.260 3.858 2.318 4.686 . 0 0 "[ . 1 . 2]" 1
57 1 23 GLN H 1 23 GLN HB3 . . 4.130 3.460 2.880 4.065 . 0 0 "[ . 1 . 2]" 1
58 1 23 GLN HA 1 24 GLY H . . 3.570 2.647 2.204 3.641 0.071 20 0 "[ . 1 . 2]" 1
59 1 23 GLN HB2 1 24 GLY H . . 4.910 4.016 2.631 4.748 . 0 0 "[ . 1 . 2]" 1
60 1 24 GLY QA 1 25 ARG H . . 3.150 2.351 2.170 2.561 . 0 0 "[ . 1 . 2]" 1
61 1 24 GLY QA 1 25 ARG HA . . 4.400 3.976 3.900 4.332 . 0 0 "[ . 1 . 2]" 1
62 1 25 ARG H 1 25 ARG HB2 . . 3.970 2.658 2.042 3.970 0.000 8 0 "[ . 1 . 2]" 1
63 1 25 ARG H 1 25 ARG HB3 . . 3.480 3.418 2.416 4.031 0.551 15 1 "[ . 1 + 2]" 1
64 1 25 ARG H 1 25 ARG HG2 . . 4.780 4.116 2.681 4.756 . 0 0 "[ . 1 . 2]" 1
65 1 25 ARG H 1 25 ARG HG3 . . 4.200 3.615 2.452 4.631 0.431 19 0 "[ . 1 . 2]" 1
66 1 25 ARG HA 1 25 ARG QD . . 4.190 3.722 2.073 4.140 . 0 0 "[ . 1 . 2]" 1
67 1 25 ARG HA 1 25 ARG HG2 . . 3.660 2.734 2.000 4.118 0.458 8 0 "[ . 1 . 2]" 1
68 1 25 ARG HA 1 25 ARG HG3 . . 4.130 2.781 2.055 4.137 0.007 7 0 "[ . 1 . 2]" 1
69 1 25 ARG HA 1 26 VAL H . . 2.820 2.505 2.274 2.757 . 0 0 "[ . 1 . 2]" 1
70 1 25 ARG HA 1 26 VAL QG . . 4.240 3.528 3.219 3.925 . 0 0 "[ . 1 . 2]" 1
71 1 25 ARG HB2 1 25 ARG QD . . 3.590 2.521 1.979 3.427 . 0 0 "[ . 1 . 2]" 1
72 1 25 ARG HB2 1 25 ARG HG2 . . 2.890 2.934 2.457 3.056 0.166 14 0 "[ . 1 . 2]" 1
73 1 25 ARG HB2 1 26 VAL H . . 4.090 3.817 2.469 4.314 0.224 14 0 "[ . 1 . 2]" 1
74 1 25 ARG HB3 1 25 ARG QD . . 3.660 2.575 1.966 3.347 . 0 0 "[ . 1 . 2]" 1
75 1 25 ARG HB3 1 26 VAL H . . 4.310 2.894 1.945 3.997 . 0 0 "[ . 1 . 2]" 1
76 1 25 ARG HG2 1 26 VAL H . . 4.870 3.401 1.956 4.871 0.001 8 0 "[ . 1 . 2]" 1
77 1 25 ARG HG3 1 26 VAL H . . 4.890 4.014 2.367 4.772 . 0 0 "[ . 1 . 2]" 1
78 1 26 VAL H 1 26 VAL HB . . 3.370 2.763 2.359 3.511 0.141 4 0 "[ . 1 . 2]" 1
79 1 26 VAL H 1 26 VAL QG . . 3.320 2.049 1.839 2.627 . 0 0 "[ . 1 . 2]" 1
80 1 26 VAL HA 1 26 VAL QG . . 3.000 2.311 2.063 2.494 . 0 0 "[ . 1 . 2]" 1
81 1 26 VAL HA 1 27 ALA H . . 2.740 2.375 2.336 2.393 . 0 0 "[ . 1 . 2]" 1
82 1 26 VAL HA 1 27 ALA MB . . 4.330 3.894 3.697 4.174 . 0 0 "[ . 1 . 2]" 1
83 1 26 VAL HB 1 27 ALA H . . 3.800 3.714 2.755 3.926 0.126 14 0 "[ . 1 . 2]" 1
84 1 26 VAL HB 1 27 ALA MB . . 5.500 5.129 3.615 5.561 0.061 14 0 "[ . 1 . 2]" 1
85 1 26 VAL QG 1 27 ALA H . . 3.610 2.148 1.925 3.262 . 0 0 "[ . 1 . 2]" 1
86 1 26 VAL QG 1 27 ALA HA . . 4.180 3.563 2.918 4.010 . 0 0 "[ . 1 . 2]" 1
87 1 26 VAL QG 1 28 ALA H . . 4.540 3.950 2.447 4.502 . 0 0 "[ . 1 . 2]" 1
88 1 27 ALA H 1 27 ALA MB . . 3.020 2.347 2.104 2.947 . 0 0 "[ . 1 . 2]" 1
89 1 27 ALA HA 1 55 ASP QB . . 4.860 3.546 2.398 4.682 . 0 0 "[ . 1 . 2]" 1
90 1 27 ALA MB 1 28 ALA H . . 2.860 2.374 1.893 2.880 0.020 14 0 "[ . 1 . 2]" 1
91 1 27 ALA MB 1 55 ASP QB . . 5.190 2.890 1.937 5.010 . 0 0 "[ . 1 . 2]" 1
92 1 28 ALA H 1 28 ALA HA . . 2.610 2.449 2.211 2.697 0.087 19 0 "[ . 1 . 2]" 1
93 1 28 ALA HA 1 29 SER H . . 2.900 2.267 2.187 2.415 . 0 0 "[ . 1 . 2]" 1
94 1 28 ALA HA 1 32 GLN HB2 . . 4.540 3.977 3.548 4.446 . 0 0 "[ . 1 . 2]" 1
95 1 29 SER H 1 29 SER HB2 . . 3.440 2.691 2.487 3.719 0.279 3 0 "[ . 1 . 2]" 1
96 1 29 SER H 1 29 SER HB3 . . 3.720 3.540 2.634 3.734 0.014 19 0 "[ . 1 . 2]" 1
97 1 29 SER H 1 32 GLN H . . 4.310 3.759 3.454 4.276 . 0 0 "[ . 1 . 2]" 1
98 1 29 SER H 1 32 GLN HB2 . . 4.200 2.876 2.661 3.276 . 0 0 "[ . 1 . 2]" 1
99 1 29 SER H 1 32 GLN HG2 . . 4.630 3.596 2.533 4.627 . 0 0 "[ . 1 . 2]" 1
100 1 29 SER H 1 32 GLN HG3 . . 3.680 3.378 2.422 3.941 0.261 10 0 "[ . 1 . 2]" 1
101 1 29 SER HA 1 30 GLU H . . 2.960 2.284 2.229 2.388 . 0 0 "[ . 1 . 2]" 1
102 1 29 SER HA 1 30 GLU HA . . 4.490 4.288 4.268 4.316 . 0 0 "[ . 1 . 2]" 1
103 1 29 SER HA 1 30 GLU HB2 . . 4.840 4.424 4.299 4.835 . 0 0 "[ . 1 . 2]" 1
104 1 29 SER HA 1 31 GLU H . . 4.640 4.329 4.134 4.573 . 0 0 "[ . 1 . 2]" 1
105 1 29 SER HA 1 32 GLN H . . 4.660 4.635 4.486 4.682 0.022 19 0 "[ . 1 . 2]" 1
106 1 29 SER HA 1 32 GLN HB2 . . 5.140 5.108 4.821 5.172 0.032 19 0 "[ . 1 . 2]" 1
107 1 29 SER HB2 1 30 GLU H . . 4.190 4.017 2.952 4.198 0.008 15 0 "[ . 1 . 2]" 1
108 1 29 SER HB2 1 31 GLU HB3 . . 5.080 4.211 3.504 5.884 0.804 5 2 "[ + 1 - 2]" 1
109 1 29 SER HB2 1 32 GLN H . . 4.670 3.002 2.611 4.348 . 0 0 "[ . 1 . 2]" 1
110 1 29 SER HB2 1 32 GLN HG2 . . 4.980 3.058 1.996 5.906 0.926 3 1 "[ + . 1 . 2]" 1
111 1 29 SER HB2 1 32 GLN HG3 . . 4.280 3.213 2.065 4.460 0.180 15 0 "[ . 1 . 2]" 1
112 1 29 SER HB2 1 33 ILE MD . . 5.100 4.593 4.115 5.035 . 0 0 "[ . 1 . 2]" 1
113 1 29 SER HB3 1 30 GLU H . . 3.690 3.289 2.869 4.198 0.508 3 1 "[ + . 1 . 2]" 1
114 1 29 SER HB3 1 31 GLU H . . 4.010 3.295 2.916 4.776 0.766 3 1 "[ + . 1 . 2]" 1
115 1 29 SER HB3 1 31 GLU HB2 . . 5.260 3.484 2.980 4.760 . 0 0 "[ . 1 . 2]" 1
116 1 29 SER HB3 1 31 GLU HB3 . . 4.960 4.529 3.906 5.642 0.682 3 1 "[ + . 1 . 2]" 1
117 1 29 SER HB3 1 32 GLN H . . 4.590 3.737 2.722 4.288 . 0 0 "[ . 1 . 2]" 1
118 1 29 SER HB3 1 32 GLN HG3 . . 4.690 4.516 3.571 5.271 0.581 10 6 "[ . * + * . *-*]" 1
119 1 30 GLU H 1 30 GLU HB2 . . 3.280 2.197 2.091 2.733 . 0 0 "[ . 1 . 2]" 1
120 1 30 GLU H 1 30 GLU HB3 . . 3.450 2.941 2.240 3.454 0.004 7 0 "[ . 1 . 2]" 1
121 1 30 GLU H 1 30 GLU HG2 . . 4.270 4.261 4.134 4.288 0.018 1 0 "[ . 1 . 2]" 1
122 1 30 GLU H 1 30 GLU HG3 . . 4.270 4.080 2.967 4.341 0.071 1 0 "[ . 1 . 2]" 1
123 1 30 GLU H 1 31 GLU H . . 3.730 3.032 2.767 3.197 . 0 0 "[ . 1 . 2]" 1
124 1 30 GLU HA 1 30 GLU HG2 . . 4.020 2.482 2.217 3.768 . 0 0 "[ . 1 . 2]" 1
125 1 30 GLU HA 1 30 GLU HG3 . . 4.110 2.863 1.999 3.115 . 0 0 "[ . 1 . 2]" 1
126 1 30 GLU HA 1 33 ILE H . . 3.710 3.342 2.849 3.513 . 0 0 "[ . 1 . 2]" 1
127 1 30 GLU HA 1 33 ILE HA . . 5.210 5.091 4.855 5.226 0.016 9 0 "[ . 1 . 2]" 1
128 1 30 GLU HA 1 33 ILE HB . . 2.930 2.263 2.076 2.608 . 0 0 "[ . 1 . 2]" 1
129 1 30 GLU HA 1 33 ILE MD . . 3.220 2.074 1.762 3.078 . 0 0 "[ . 1 . 2]" 1
130 1 30 GLU HA 1 33 ILE HG12 . . 4.620 4.395 3.166 4.625 0.005 1 0 "[ . 1 . 2]" 1
131 1 30 GLU HA 1 33 ILE HG13 . . 4.510 4.261 3.952 4.572 0.062 11 0 "[ . 1 . 2]" 1
132 1 30 GLU HA 1 33 ILE MG . . 4.100 3.607 3.387 3.970 . 0 0 "[ . 1 . 2]" 1
133 1 30 GLU HA 1 34 GLN H . . 4.070 3.856 3.527 4.148 0.078 9 0 "[ . 1 . 2]" 1
134 1 30 GLU HB2 1 30 GLU HG3 . . 2.960 2.395 2.267 3.023 0.063 11 0 "[ . 1 . 2]" 1
135 1 30 GLU HG2 1 31 GLU H . . 5.140 4.446 3.432 5.168 0.028 11 0 "[ . 1 . 2]" 1
136 1 30 GLU HG2 1 34 GLN HE21 . . 4.660 2.821 2.184 4.018 . 0 0 "[ . 1 . 2]" 1
137 1 30 GLU HG3 1 31 GLU H . . 5.140 5.017 3.828 5.160 0.020 8 0 "[ . 1 . 2]" 1
138 1 30 GLU HG3 1 33 ILE MD . . 4.790 4.025 2.903 4.655 . 0 0 "[ . 1 . 2]" 1
139 1 30 GLU HG3 1 34 GLN HE21 . . 4.700 3.541 2.665 4.534 . 0 0 "[ . 1 . 2]" 1
140 1 30 GLU HG3 1 34 GLN HE22 . . 5.230 4.966 3.204 6.073 0.843 10 1 "[ . + . 2]" 1
141 1 31 GLU H 1 31 GLU HB2 . . 3.420 2.082 2.030 2.157 . 0 0 "[ . 1 . 2]" 1
142 1 31 GLU H 1 31 GLU HB3 . . 3.200 3.284 3.011 3.452 0.252 17 0 "[ . 1 . 2]" 1
143 1 31 GLU H 1 31 GLU HG2 . . 4.300 3.897 3.064 4.302 0.002 3 0 "[ . 1 . 2]" 1
144 1 31 GLU H 1 31 GLU HG3 . . 3.970 3.734 3.103 4.301 0.331 1 0 "[ . 1 . 2]" 1
145 1 31 GLU H 1 32 GLN H . . 3.310 2.991 2.815 3.103 . 0 0 "[ . 1 . 2]" 1
146 1 31 GLU HA 1 31 GLU HG2 . . 3.840 2.463 2.017 3.485 . 0 0 "[ . 1 . 2]" 1
147 1 31 GLU HA 1 31 GLU HG3 . . 3.650 2.866 2.050 3.489 . 0 0 "[ . 1 . 2]" 1
148 1 31 GLU HA 1 33 ILE H . . 5.100 5.009 4.663 5.123 0.023 15 0 "[ . 1 . 2]" 1
149 1 31 GLU HA 1 34 GLN H . . 3.960 3.801 3.519 3.965 0.005 8 0 "[ . 1 . 2]" 1
150 1 31 GLU HA 1 34 GLN QB . . 3.190 3.052 2.804 3.222 0.032 11 0 "[ . 1 . 2]" 1
151 1 31 GLU HA 1 34 GLN HG2 . . 4.800 4.198 3.812 4.594 . 0 0 "[ . 1 . 2]" 1
152 1 31 GLU HA 1 34 GLN HG3 . . 4.670 3.916 3.252 4.990 0.320 9 0 "[ . 1 . 2]" 1
153 1 31 GLU HA 1 35 LYS H . . 4.780 4.105 3.595 4.639 . 0 0 "[ . 1 . 2]" 1
154 1 31 GLU HB2 1 31 GLU HG2 . . 3.000 2.818 2.631 3.030 0.030 13 0 "[ . 1 . 2]" 1
155 1 31 GLU HB2 1 31 GLU HG3 . . 2.770 2.497 2.277 3.037 0.267 8 0 "[ . 1 . 2]" 1
156 1 31 GLU HB2 1 32 GLN H . . 3.920 3.156 2.874 3.565 . 0 0 "[ . 1 . 2]" 1
157 1 31 GLU HB3 1 32 GLN H . . 3.480 2.855 2.579 3.641 0.161 11 0 "[ . 1 . 2]" 1
158 1 31 GLU HG2 1 32 GLN H . . 5.230 4.903 4.664 5.237 0.007 3 0 "[ . 1 . 2]" 1
159 1 31 GLU HG3 1 32 GLN H . . 5.060 5.079 4.905 5.255 0.195 2 0 "[ . 1 . 2]" 1
160 1 32 GLN H 1 32 GLN HB2 . . 3.490 2.598 2.485 2.695 . 0 0 "[ . 1 . 2]" 1
161 1 32 GLN H 1 32 GLN HB3 . . 3.830 3.559 3.536 3.640 . 0 0 "[ . 1 . 2]" 1
162 1 32 GLN H 1 32 GLN HG2 . . 3.550 2.513 1.922 3.504 . 0 0 "[ . 1 . 2]" 1
163 1 32 GLN H 1 32 GLN HG3 . . 3.020 2.920 1.929 3.611 0.591 10 7 "[ . - + * * * **]" 1
164 1 32 GLN H 1 33 ILE H . . 3.150 2.735 2.268 2.878 . 0 0 "[ . 1 . 2]" 1
165 1 32 GLN H 1 33 ILE HB . . 4.840 4.588 4.151 4.815 . 0 0 "[ . 1 . 2]" 1
166 1 32 GLN H 1 33 ILE HG13 . . 5.110 5.016 4.757 5.956 0.846 11 1 "[ . 1+ . 2]" 1
167 1 32 GLN H 1 34 GLN H . . 4.410 4.025 3.773 4.284 . 0 0 "[ . 1 . 2]" 1
168 1 32 GLN H 1 57 LEU QD . . 5.210 4.094 3.766 4.382 . 0 0 "[ . 1 . 2]" 1
169 1 32 GLN HA 1 32 GLN HB3 . . 3.030 2.449 2.391 2.526 . 0 0 "[ . 1 . 2]" 1
170 1 32 GLN HA 1 32 GLN HG2 . . 3.720 3.073 2.304 3.431 . 0 0 "[ . 1 . 2]" 1
171 1 32 GLN HA 1 32 GLN HG3 . . 3.560 3.443 2.777 3.898 0.338 11 0 "[ . 1 . 2]" 1
172 1 32 GLN HA 1 33 ILE HA . . 4.910 4.892 4.838 4.927 0.017 10 0 "[ . 1 . 2]" 1
173 1 32 GLN HA 1 35 LYS HB2 . . 3.240 2.108 1.995 2.303 . 0 0 "[ . 1 . 2]" 1
174 1 32 GLN HA 1 35 LYS QD . . 3.710 3.317 2.727 3.720 0.010 6 0 "[ . 1 . 2]" 1
175 1 32 GLN HA 1 35 LYS QE . . 5.080 4.067 2.536 5.079 . 0 0 "[ . 1 . 2]" 1
176 1 32 GLN HA 1 36 LEU QD . . 4.940 4.137 3.854 4.445 . 0 0 "[ . 1 . 2]" 1
177 1 32 GLN HA 1 36 LEU HG . . 5.300 3.816 3.548 4.194 . 0 0 "[ . 1 . 2]" 1
178 1 32 GLN HA 1 57 LEU QD . . 4.020 2.223 1.899 3.015 . 0 0 "[ . 1 . 2]" 1
179 1 32 GLN HB2 1 32 GLN HE21 . . 4.820 4.157 2.030 4.430 . 0 0 "[ . 1 . 2]" 1
180 1 32 GLN HB2 1 33 ILE H . . 3.630 2.331 2.230 2.603 . 0 0 "[ . 1 . 2]" 1
181 1 32 GLN HB2 1 33 ILE HG13 . . 4.700 3.557 3.325 5.018 0.318 11 0 "[ . 1 . 2]" 1
182 1 32 GLN HB2 1 36 LEU QD . . 4.320 3.998 3.644 4.225 . 0 0 "[ . 1 . 2]" 1
183 1 32 GLN HB2 1 50 LEU QD . . 4.090 2.123 1.804 2.704 . 0 0 "[ . 1 . 2]" 1
184 1 32 GLN HB2 1 57 LEU QD . . 4.180 3.479 2.861 3.758 . 0 0 "[ . 1 . 2]" 1
185 1 32 GLN HB3 1 33 ILE H . . 4.220 3.574 3.423 3.898 . 0 0 "[ . 1 . 2]" 1
186 1 32 GLN HB3 1 50 LEU QD . . 3.950 2.193 1.901 2.873 . 0 0 "[ . 1 . 2]" 1
187 1 32 GLN HB3 1 57 LEU QD . . 3.550 2.237 1.723 2.588 . 0 0 "[ . 1 . 2]" 1
188 1 32 GLN HE21 1 50 LEU QD . . 4.630 3.318 1.928 4.505 . 0 0 "[ . 1 . 2]" 1
189 1 32 GLN HE21 1 57 LEU QB . . 4.940 2.922 1.994 4.900 . 0 0 "[ . 1 . 2]" 1
190 1 32 GLN HE21 1 57 LEU QD . . 4.280 2.753 1.924 3.882 . 0 0 "[ . 1 . 2]" 1
191 1 32 GLN HE22 1 57 LEU QB . . 4.980 3.424 2.109 4.600 . 0 0 "[ . 1 . 2]" 1
192 1 32 GLN HE22 1 57 LEU QD . . 4.820 2.848 1.874 4.579 . 0 0 "[ . 1 . 2]" 1
193 1 32 GLN HG2 1 33 ILE H . . 5.140 4.293 3.810 4.980 . 0 0 "[ . 1 . 2]" 1
194 1 32 GLN HG2 1 36 LEU QD . . 5.090 5.241 4.678 5.608 0.518 10 3 "[ . + - . *]" 1
195 1 32 GLN HG2 1 50 LEU QD . . 4.730 3.323 2.771 3.969 . 0 0 "[ . 1 . 2]" 1
196 1 32 GLN HG2 1 57 LEU QB . . 5.290 4.279 2.956 5.639 0.349 19 0 "[ . 1 . 2]" 1
197 1 32 GLN HG2 1 57 LEU QD . . 4.520 2.991 1.764 3.790 . 0 0 "[ . 1 . 2]" 1
198 1 32 GLN HG3 1 33 ILE H . . 4.710 4.489 4.007 4.885 0.175 10 0 "[ . 1 . 2]" 1
199 1 32 GLN HG3 1 50 LEU QD . . 5.000 2.863 1.947 3.811 . 0 0 "[ . 1 . 2]" 1
200 1 32 GLN HG3 1 57 LEU QD . . 3.880 3.192 2.628 3.812 . 0 0 "[ . 1 . 2]" 1
201 1 33 ILE H 1 33 ILE HB . . 3.090 2.367 2.257 2.406 . 0 0 "[ . 1 . 2]" 1
202 1 33 ILE H 1 33 ILE MD . . 3.860 2.508 1.761 2.808 . 0 0 "[ . 1 . 2]" 1
203 1 33 ILE H 1 33 ILE HG12 . . 3.730 3.755 3.385 3.824 0.094 7 0 "[ . 1 . 2]" 1
204 1 33 ILE H 1 33 ILE HG13 . . 3.160 2.488 2.317 3.806 0.646 11 1 "[ . 1+ . 2]" 1
205 1 33 ILE H 1 33 ILE MG . . 3.930 3.699 3.660 3.709 . 0 0 "[ . 1 . 2]" 1
206 1 33 ILE H 1 34 GLN H . . 3.340 2.917 2.772 3.002 . 0 0 "[ . 1 . 2]" 1
207 1 33 ILE H 1 46 VAL MG1 . . 4.540 3.247 3.098 3.656 . 0 0 "[ . 1 . 2]" 1
208 1 33 ILE H 1 50 LEU QD . . 4.710 3.399 2.790 3.964 . 0 0 "[ . 1 . 2]" 1
209 1 33 ILE HA 1 33 ILE MD . . 3.910 3.601 1.923 3.771 . 0 0 "[ . 1 . 2]" 1
210 1 33 ILE HA 1 33 ILE HG12 . . 3.110 3.041 2.860 3.655 0.545 11 1 "[ . 1+ . 2]" 1
211 1 33 ILE HA 1 33 ILE HG13 . . 3.420 2.336 2.221 2.722 . 0 0 "[ . 1 . 2]" 1
212 1 33 ILE HA 1 33 ILE MG . . 3.140 2.551 2.504 2.599 . 0 0 "[ . 1 . 2]" 1
213 1 33 ILE HA 1 36 LEU H . . 4.130 3.620 3.511 3.771 . 0 0 "[ . 1 . 2]" 1
214 1 33 ILE HA 1 36 LEU HB2 . . 4.120 2.973 2.875 3.048 . 0 0 "[ . 1 . 2]" 1
215 1 33 ILE HA 1 36 LEU HB3 . . 4.690 4.633 4.537 4.723 0.033 7 0 "[ . 1 . 2]" 1
216 1 33 ILE HA 1 36 LEU QD . . 3.850 3.526 3.261 3.666 . 0 0 "[ . 1 . 2]" 1
217 1 33 ILE HA 1 37 VAL H . . 4.730 3.574 3.507 3.721 . 0 0 "[ . 1 . 2]" 1
218 1 33 ILE HA 1 37 VAL MG2 . . 4.690 3.258 3.140 3.325 . 0 0 "[ . 1 . 2]" 1
219 1 33 ILE HA 1 46 VAL HB . . 4.670 3.006 2.761 3.364 . 0 0 "[ . 1 . 2]" 1
220 1 33 ILE HA 1 46 VAL MG1 . . 2.920 1.829 1.786 1.912 . 0 0 "[ . 1 . 2]" 1
221 1 33 ILE HA 1 46 VAL MG2 . . 4.320 2.820 2.616 3.174 . 0 0 "[ . 1 . 2]" 1
222 1 33 ILE HA 1 50 LEU QD . . 3.890 3.521 2.972 3.909 0.019 15 0 "[ . 1 . 2]" 1
223 1 33 ILE HB 1 33 ILE MD . . 3.120 2.097 1.945 2.629 . 0 0 "[ . 1 . 2]" 1
224 1 33 ILE HB 1 34 GLN H . . 3.310 2.784 2.614 2.874 . 0 0 "[ . 1 . 2]" 1
225 1 33 ILE HB 1 34 GLN HA . . 5.010 4.556 4.472 4.591 . 0 0 "[ . 1 . 2]" 1
226 1 33 ILE HB 1 34 GLN HG2 . . 5.110 3.448 3.157 5.237 0.127 9 0 "[ . 1 . 2]" 1
227 1 33 ILE HB 1 34 GLN HG3 . . 5.060 4.938 4.023 5.114 0.054 4 0 "[ . 1 . 2]" 1
228 1 33 ILE HB 1 46 VAL MG1 . . 4.520 4.019 3.932 4.132 . 0 0 "[ . 1 . 2]" 1
229 1 33 ILE MD 1 34 GLN H . . 4.420 4.214 3.941 4.406 . 0 0 "[ . 1 . 2]" 1
230 1 33 ILE MD 1 43 ARG HE . . 4.870 3.341 2.068 4.861 . 0 0 "[ . 1 . 2]" 1
231 1 33 ILE MD 1 46 VAL MG1 . . 3.510 3.460 1.813 3.584 0.074 9 0 "[ . 1 . 2]" 1
232 1 33 ILE MD 1 47 GLU H . . 4.760 4.625 4.117 4.779 0.019 12 0 "[ . 1 . 2]" 1
233 1 33 ILE MD 1 47 GLU HA . . 4.260 4.061 3.153 4.269 0.009 3 0 "[ . 1 . 2]" 1
234 1 33 ILE MD 1 47 GLU HB3 . . 5.500 4.819 4.447 5.005 . 0 0 "[ . 1 . 2]" 1
235 1 33 ILE MD 1 47 GLU HG2 . . 3.550 2.594 2.327 3.300 . 0 0 "[ . 1 . 2]" 1
236 1 33 ILE MD 1 47 GLU HG3 . . 4.030 3.410 3.060 4.042 0.012 11 0 "[ . 1 . 2]" 1
237 1 33 ILE HG12 1 43 ARG HG3 . . 4.300 2.424 2.275 4.034 . 0 0 "[ . 1 . 2]" 1
238 1 33 ILE HG12 1 46 VAL MG1 . . 3.760 2.961 2.582 3.778 0.018 11 0 "[ . 1 . 2]" 1
239 1 33 ILE HG12 1 47 GLU HA . . 5.190 4.300 3.779 4.608 . 0 0 "[ . 1 . 2]" 1
240 1 33 ILE HG12 1 47 GLU HG2 . . 4.950 2.784 2.029 3.250 . 0 0 "[ . 1 . 2]" 1
241 1 33 ILE HG13 1 33 ILE MG . . 3.490 3.032 2.290 3.142 . 0 0 "[ . 1 . 2]" 1
242 1 33 ILE HG13 1 34 GLN H . . 4.820 4.704 4.607 5.247 0.427 11 0 "[ . 1 . 2]" 1
243 1 33 ILE HG13 1 43 ARG HG3 . . 3.980 3.962 3.103 4.062 0.082 9 0 "[ . 1 . 2]" 1
244 1 33 ILE HG13 1 46 VAL MG1 . . 3.750 2.004 1.958 2.525 . 0 0 "[ . 1 . 2]" 1
245 1 33 ILE MG 1 34 GLN H . . 3.760 3.254 3.103 3.366 . 0 0 "[ . 1 . 2]" 1
246 1 33 ILE MG 1 34 GLN HA . . 3.990 3.238 3.154 3.430 . 0 0 "[ . 1 . 2]" 1
247 1 33 ILE MG 1 34 GLN HE21 . . 5.140 3.487 2.486 4.035 . 0 0 "[ . 1 . 2]" 1
248 1 33 ILE MG 1 34 GLN HG2 . . 4.830 3.317 2.920 4.748 . 0 0 "[ . 1 . 2]" 1
249 1 33 ILE MG 1 34 GLN HG3 . . 5.020 4.639 3.251 4.818 . 0 0 "[ . 1 . 2]" 1
250 1 33 ILE MG 1 36 LEU HB2 . . 4.490 4.379 4.289 4.463 . 0 0 "[ . 1 . 2]" 1
251 1 33 ILE MG 1 37 VAL H . . 4.430 3.670 3.553 3.732 . 0 0 "[ . 1 . 2]" 1
252 1 33 ILE MG 1 37 VAL HA . . 5.140 4.741 4.656 4.832 . 0 0 "[ . 1 . 2]" 1
253 1 33 ILE MG 1 37 VAL HB . . 4.140 3.183 3.040 3.297 . 0 0 "[ . 1 . 2]" 1
254 1 33 ILE MG 1 37 VAL MG2 . . 2.670 1.827 1.741 2.010 . 0 0 "[ . 1 . 2]" 1
255 1 33 ILE MG 1 43 ARG HA . . 4.090 2.104 1.958 2.754 . 0 0 "[ . 1 . 2]" 1
256 1 33 ILE MG 1 43 ARG QD . . 3.820 2.079 1.928 2.852 . 0 0 "[ . 1 . 2]" 1
257 1 33 ILE MG 1 43 ARG HE . . 4.330 3.011 1.852 4.267 . 0 0 "[ . 1 . 2]" 1
258 1 33 ILE MG 1 43 ARG HG2 . . 3.810 3.276 3.117 3.589 . 0 0 "[ . 1 . 2]" 1
259 1 33 ILE MG 1 43 ARG HG3 . . 3.270 1.888 1.778 2.188 . 0 0 "[ . 1 . 2]" 1
260 1 33 ILE MG 1 46 VAL HB . . 3.900 3.135 2.911 3.409 . 0 0 "[ . 1 . 2]" 1
261 1 33 ILE MG 1 47 GLU H . . 4.610 4.500 3.962 4.674 0.064 14 0 "[ . 1 . 2]" 1
262 1 33 ILE MG 1 47 GLU HG3 . . 4.190 3.913 3.546 4.105 . 0 0 "[ . 1 . 2]" 1
263 1 34 GLN H 1 34 GLN QB . . 2.950 2.392 2.281 2.515 . 0 0 "[ . 1 . 2]" 1
264 1 34 GLN H 1 34 GLN HG2 . . 3.690 2.324 1.982 3.773 0.083 9 0 "[ . 1 . 2]" 1
265 1 34 GLN H 1 34 GLN HG3 . . 3.690 3.461 2.942 3.620 . 0 0 "[ . 1 . 2]" 1
266 1 34 GLN H 1 35 LYS H . . 3.280 2.564 2.461 2.709 . 0 0 "[ . 1 . 2]" 1
267 1 34 GLN H 1 35 LYS HB2 . . 4.960 4.307 4.231 4.417 . 0 0 "[ . 1 . 2]" 1
268 1 34 GLN HA 1 34 GLN HG2 . . 3.730 2.905 2.595 3.524 . 0 0 "[ . 1 . 2]" 1
269 1 34 GLN HA 1 34 GLN HG3 . . 3.910 3.678 2.345 3.838 . 0 0 "[ . 1 . 2]" 1
270 1 34 GLN HA 1 36 LEU H . . 4.900 3.816 3.677 4.213 . 0 0 "[ . 1 . 2]" 1
271 1 34 GLN HA 1 37 VAL H . . 3.690 3.155 3.000 3.286 . 0 0 "[ . 1 . 2]" 1
272 1 34 GLN HA 1 37 VAL HA . . 5.040 4.920 4.784 5.039 . 0 0 "[ . 1 . 2]" 1
273 1 34 GLN HA 1 37 VAL HB . . 2.680 2.082 1.968 2.237 . 0 0 "[ . 1 . 2]" 1
274 1 34 GLN HA 1 37 VAL MG1 . . 4.050 3.383 3.215 3.535 . 0 0 "[ . 1 . 2]" 1
275 1 34 GLN HA 1 37 VAL MG2 . . 3.460 3.309 3.089 3.485 0.025 12 0 "[ . 1 . 2]" 1
276 1 34 GLN HA 1 38 ALA H . . 4.290 3.316 3.147 3.492 . 0 0 "[ . 1 . 2]" 1
277 1 34 GLN QB 1 35 LYS H . . 3.330 2.553 2.371 2.767 . 0 0 "[ . 1 . 2]" 1
278 1 34 GLN QB 1 35 LYS HA . . 4.050 3.850 3.798 3.914 . 0 0 "[ . 1 . 2]" 1
279 1 34 GLN QB 1 35 LYS HG3 . . 5.030 4.189 3.863 4.633 . 0 0 "[ . 1 . 2]" 1
280 1 34 GLN QB 1 37 VAL H . . 5.040 4.819 4.672 4.942 . 0 0 "[ . 1 . 2]" 1
281 1 34 GLN HE21 1 37 VAL MG1 . . 5.290 5.032 4.450 5.489 0.199 3 0 "[ . 1 . 2]" 1
282 1 35 LYS H 1 35 LYS HB2 . . 3.130 2.038 2.003 2.125 . 0 0 "[ . 1 . 2]" 1
283 1 35 LYS H 1 35 LYS HB3 . . 3.370 3.310 3.173 3.431 0.061 11 0 "[ . 1 . 2]" 1
284 1 35 LYS H 1 35 LYS QD . . 4.510 4.055 3.025 4.528 0.018 6 0 "[ . 1 . 2]" 1
285 1 35 LYS H 1 35 LYS HG2 . . 4.460 4.169 3.864 4.356 . 0 0 "[ . 1 . 2]" 1
286 1 35 LYS H 1 35 LYS HG3 . . 3.620 3.276 2.909 3.584 . 0 0 "[ . 1 . 2]" 1
287 1 35 LYS H 1 36 LEU H . . 3.270 2.685 2.541 2.815 . 0 0 "[ . 1 . 2]" 1
288 1 35 LYS H 1 36 LEU HG . . 5.200 4.495 4.308 4.781 . 0 0 "[ . 1 . 2]" 1
289 1 35 LYS H 1 38 ALA MB . . 4.940 4.473 4.389 4.596 . 0 0 "[ . 1 . 2]" 1
290 1 35 LYS H 1 57 LEU QD . . 5.240 4.062 3.792 4.462 . 0 0 "[ . 1 . 2]" 1
291 1 35 LYS HA 1 35 LYS QE . . 4.580 4.187 3.599 4.529 . 0 0 "[ . 1 . 2]" 1
292 1 35 LYS HA 1 35 LYS HG2 . . 3.690 2.400 2.051 2.952 . 0 0 "[ . 1 . 2]" 1
293 1 35 LYS HA 1 35 LYS HG3 . . 3.700 2.444 2.011 2.813 . 0 0 "[ . 1 . 2]" 1
294 1 35 LYS HA 1 36 LEU HA . . 5.090 4.599 4.590 4.661 . 0 0 "[ . 1 . 2]" 1
295 1 35 LYS HA 1 36 LEU QD . . 4.810 4.713 4.681 4.777 . 0 0 "[ . 1 . 2]" 1
296 1 35 LYS HA 1 37 VAL H . . 5.060 5.055 4.947 5.114 0.054 15 0 "[ . 1 . 2]" 1
297 1 35 LYS HA 1 38 ALA H . . 4.000 3.937 3.762 4.007 0.007 5 0 "[ . 1 . 2]" 1
298 1 35 LYS HA 1 38 ALA MB . . 3.210 2.921 2.791 3.057 . 0 0 "[ . 1 . 2]" 1
299 1 35 LYS HB2 1 35 LYS QD . . 3.400 2.427 2.058 2.775 . 0 0 "[ . 1 . 2]" 1
300 1 35 LYS HB2 1 36 LEU H . . 3.900 3.420 3.321 3.530 . 0 0 "[ . 1 . 2]" 1
301 1 35 LYS HB2 1 57 LEU QD . . 4.170 2.669 2.334 3.487 . 0 0 "[ . 1 . 2]" 1
302 1 35 LYS HB3 1 35 LYS QD . . 3.350 2.598 2.098 3.172 . 0 0 "[ . 1 . 2]" 1
303 1 35 LYS HB3 1 36 LEU H . . 3.730 3.523 3.058 3.688 . 0 0 "[ . 1 . 2]" 1
304 1 35 LYS HB3 1 36 LEU QD . . 4.600 3.302 3.045 3.475 . 0 0 "[ . 1 . 2]" 1
305 1 35 LYS QD 1 57 LEU QD . . 4.310 2.370 1.841 3.034 . 0 0 "[ . 1 . 2]" 1
306 1 35 LYS QE 1 57 LEU QD . . 4.620 2.373 1.896 2.905 . 0 0 "[ . 1 . 2]" 1
307 1 36 LEU H 1 36 LEU HB2 . . 3.130 2.408 2.362 2.443 . 0 0 "[ . 1 . 2]" 1
308 1 36 LEU H 1 36 LEU HB3 . . 3.760 3.602 3.573 3.619 . 0 0 "[ . 1 . 2]" 1
309 1 36 LEU H 1 36 LEU QD . . 3.850 3.287 3.089 3.334 . 0 0 "[ . 1 . 2]" 1
310 1 36 LEU H 1 36 LEU HG . . 3.240 2.722 2.422 2.866 . 0 0 "[ . 1 . 2]" 1
311 1 36 LEU H 1 37 VAL H . . 3.160 2.298 2.230 2.464 . 0 0 "[ . 1 . 2]" 1
312 1 36 LEU H 1 37 VAL HB . . 4.440 4.118 4.024 4.326 . 0 0 "[ . 1 . 2]" 1
313 1 36 LEU H 1 37 VAL MG2 . . 4.450 4.093 3.963 4.219 . 0 0 "[ . 1 . 2]" 1
314 1 36 LEU H 1 38 ALA H . . 4.690 3.486 3.386 3.663 . 0 0 "[ . 1 . 2]" 1
315 1 36 LEU H 1 46 VAL MG1 . . 4.090 3.555 3.384 3.720 . 0 0 "[ . 1 . 2]" 1
316 1 36 LEU HA 1 36 LEU QD . . 2.890 2.053 1.925 2.129 . 0 0 "[ . 1 . 2]" 1
317 1 36 LEU HA 1 36 LEU HG . . 3.640 3.131 3.079 3.198 . 0 0 "[ . 1 . 2]" 1
318 1 36 LEU HA 1 38 ALA H . . 4.840 4.050 3.819 4.279 . 0 0 "[ . 1 . 2]" 1
319 1 36 LEU HA 1 39 MET H . . 3.670 3.110 2.971 3.239 . 0 0 "[ . 1 . 2]" 1
320 1 36 LEU HA 1 39 MET HB2 . . 3.840 2.749 2.384 2.987 . 0 0 "[ . 1 . 2]" 1
321 1 36 LEU HA 1 39 MET HB3 . . 4.540 4.240 3.953 4.436 . 0 0 "[ . 1 . 2]" 1
322 1 36 LEU HA 1 39 MET ME . . 4.410 3.474 3.055 3.739 . 0 0 "[ . 1 . 2]" 1
323 1 36 LEU HA 1 39 MET HG2 . . 4.400 3.702 3.418 4.412 0.012 7 0 "[ . 1 . 2]" 1
324 1 36 LEU HA 1 39 MET HG3 . . 3.790 2.399 2.057 3.366 . 0 0 "[ . 1 . 2]" 1
325 1 36 LEU HA 1 41 PHE QD . . 4.350 2.498 2.041 2.863 . 0 0 "[ . 1 . 2]" 1
326 1 36 LEU HA 1 41 PHE QE . . 5.260 3.849 3.286 4.393 . 0 0 "[ . 1 . 2]" 1
327 1 36 LEU HA 1 46 VAL MG1 . . 4.590 4.580 4.556 4.635 0.045 11 0 "[ . 1 . 2]" 1
328 1 36 LEU HA 1 46 VAL MG2 . . 4.520 4.124 3.991 4.236 . 0 0 "[ . 1 . 2]" 1
329 1 36 LEU HB2 1 37 VAL H . . 3.790 2.518 2.489 2.594 . 0 0 "[ . 1 . 2]" 1
330 1 36 LEU HB2 1 41 PHE HB2 . . 4.640 3.544 3.365 3.824 . 0 0 "[ . 1 . 2]" 1
331 1 36 LEU HB2 1 41 PHE QD . . 5.060 3.627 3.384 4.034 . 0 0 "[ . 1 . 2]" 1
332 1 36 LEU HB2 1 46 VAL MG1 . . 3.250 1.966 1.944 1.982 . 0 0 "[ . 1 . 2]" 1
333 1 36 LEU HB2 1 46 VAL MG2 . . 3.650 1.973 1.905 2.092 . 0 0 "[ . 1 . 2]" 1
334 1 36 LEU HB2 1 64 LEU HG . . 4.510 4.416 4.262 4.532 0.022 8 0 "[ . 1 . 2]" 1
335 1 36 LEU HB3 1 36 LEU QD . . 3.170 2.087 2.073 2.110 . 0 0 "[ . 1 . 2]" 1
336 1 36 LEU HB3 1 37 VAL H . . 4.380 3.528 3.448 3.618 . 0 0 "[ . 1 . 2]" 1
337 1 36 LEU HB3 1 37 VAL HA . . 5.090 4.379 4.302 4.454 . 0 0 "[ . 1 . 2]" 1
338 1 36 LEU HB3 1 41 PHE HB2 . . 4.560 2.611 2.402 2.857 . 0 0 "[ . 1 . 2]" 1
339 1 36 LEU HB3 1 41 PHE HB3 . . 5.000 3.313 2.992 3.435 . 0 0 "[ . 1 . 2]" 1
340 1 36 LEU HB3 1 41 PHE QD . . 4.410 2.069 1.957 2.451 . 0 0 "[ . 1 . 2]" 1
341 1 36 LEU HB3 1 46 VAL MG1 . . 3.270 3.095 3.036 3.165 . 0 0 "[ . 1 . 2]" 1
342 1 36 LEU HB3 1 46 VAL MG2 . . 3.280 2.064 1.955 2.322 . 0 0 "[ . 1 . 2]" 1
343 1 36 LEU HB3 1 64 LEU HG . . 4.270 3.234 3.108 3.403 . 0 0 "[ . 1 . 2]" 1
344 1 36 LEU QD 1 39 MET HB2 . . 4.800 3.633 3.369 3.797 . 0 0 "[ . 1 . 2]" 1
345 1 36 LEU QD 1 39 MET HB3 . . 4.750 4.491 4.199 4.659 . 0 0 "[ . 1 . 2]" 1
346 1 36 LEU QD 1 39 MET ME . . 3.380 2.732 2.387 3.093 . 0 0 "[ . 1 . 2]" 1
347 1 36 LEU QD 1 39 MET HG2 . . 4.960 4.366 4.100 4.539 . 0 0 "[ . 1 . 2]" 1
348 1 36 LEU QD 1 39 MET HG3 . . 4.580 3.007 2.617 4.058 . 0 0 "[ . 1 . 2]" 1
349 1 36 LEU QD 1 41 PHE QD . . 4.700 2.563 2.279 2.775 . 0 0 "[ . 1 . 2]" 1
350 1 36 LEU QD 1 41 PHE QE . . 4.110 2.741 2.458 3.183 . 0 0 "[ . 1 . 2]" 1
351 1 36 LEU QD 1 46 VAL HA . . 4.510 2.517 2.375 2.752 . 0 0 "[ . 1 . 2]" 1
352 1 36 LEU QD 1 46 VAL MG1 . . 2.960 1.648 1.601 1.670 . 0 0 "[ . 1 . 2]" 1
353 1 36 LEU QD 1 57 LEU HA . . 4.030 3.432 3.243 3.649 . 0 0 "[ . 1 . 2]" 1
354 1 36 LEU QD 1 57 LEU HG . . 4.590 3.249 2.352 3.559 . 0 0 "[ . 1 . 2]" 1
355 1 36 LEU QD 1 60 ALA H . . 5.190 4.559 4.357 4.818 . 0 0 "[ . 1 . 2]" 1
356 1 36 LEU QD 1 60 ALA MB . . 3.310 2.260 1.931 2.540 . 0 0 "[ . 1 . 2]" 1
357 1 36 LEU QD 1 61 VAL H . . 4.570 3.006 2.809 3.217 . 0 0 "[ . 1 . 2]" 1
358 1 36 LEU QD 1 61 VAL HA . . 4.260 2.579 2.433 2.736 . 0 0 "[ . 1 . 2]" 1
359 1 36 LEU QD 1 61 VAL HB . . 4.830 3.409 2.185 4.024 . 0 0 "[ . 1 . 2]" 1
360 1 36 LEU QD 1 64 LEU HG . . 3.300 2.230 1.989 2.391 . 0 0 "[ . 1 . 2]" 1
361 1 36 LEU HG 1 37 VAL H . . 5.090 4.366 4.277 4.457 . 0 0 "[ . 1 . 2]" 1
362 1 36 LEU HG 1 46 VAL MG1 . . 4.110 2.832 2.661 3.145 . 0 0 "[ . 1 . 2]" 1
363 1 36 LEU HG 1 46 VAL MG2 . . 4.270 3.757 3.659 4.029 . 0 0 "[ . 1 . 2]" 1
364 1 36 LEU HG 1 57 LEU QD . . 3.630 1.975 1.881 2.062 . 0 0 "[ . 1 . 2]" 1
365 1 36 LEU HG 1 64 LEU HG . . 4.870 4.837 4.647 4.938 0.068 10 0 "[ . 1 . 2]" 1
366 1 37 VAL H 1 37 VAL HB . . 3.120 2.282 2.191 2.336 . 0 0 "[ . 1 . 2]" 1
367 1 37 VAL H 1 37 VAL MG1 . . 3.880 3.672 3.634 3.687 . 0 0 "[ . 1 . 2]" 1
368 1 37 VAL H 1 37 VAL MG2 . . 2.990 2.307 2.164 2.447 . 0 0 "[ . 1 . 2]" 1
369 1 37 VAL H 1 38 ALA H . . 3.240 2.746 2.704 2.785 . 0 0 "[ . 1 . 2]" 1
370 1 37 VAL H 1 38 ALA MB . . 4.720 4.337 4.270 4.379 . 0 0 "[ . 1 . 2]" 1
371 1 37 VAL H 1 39 MET H . . 4.790 4.115 3.957 4.191 . 0 0 "[ . 1 . 2]" 1
372 1 37 VAL H 1 46 VAL MG1 . . 4.410 3.785 3.708 3.864 . 0 0 "[ . 1 . 2]" 1
373 1 37 VAL H 1 46 VAL MG2 . . 4.290 3.012 2.878 3.179 . 0 0 "[ . 1 . 2]" 1
374 1 37 VAL HA 1 37 VAL MG1 . . 3.140 2.498 2.452 2.584 . 0 0 "[ . 1 . 2]" 1
375 1 37 VAL HA 1 37 VAL MG2 . . 2.890 2.268 2.137 2.354 . 0 0 "[ . 1 . 2]" 1
376 1 37 VAL HA 1 39 MET H . . 4.500 4.117 3.952 4.257 . 0 0 "[ . 1 . 2]" 1
377 1 37 VAL HA 1 40 GLY H . . 4.360 3.282 3.070 3.818 . 0 0 "[ . 1 . 2]" 1
378 1 37 VAL HA 1 40 GLY HA2 . . 5.070 4.482 4.267 4.881 . 0 0 "[ . 1 . 2]" 1
379 1 37 VAL HA 1 41 PHE H . . 3.440 2.140 1.949 2.470 . 0 0 "[ . 1 . 2]" 1
380 1 37 VAL HA 1 41 PHE HB2 . . 3.910 2.638 2.427 2.853 . 0 0 "[ . 1 . 2]" 1
381 1 37 VAL HA 1 41 PHE HB3 . . 4.720 3.888 3.686 4.084 . 0 0 "[ . 1 . 2]" 1
382 1 37 VAL HA 1 43 ARG HA . . 5.250 4.933 4.690 5.141 . 0 0 "[ . 1 . 2]" 1
383 1 37 VAL HA 1 46 VAL MG2 . . 3.730 3.511 3.368 3.655 . 0 0 "[ . 1 . 2]" 1
384 1 37 VAL HB 1 38 ALA H . . 3.350 2.920 2.787 3.057 . 0 0 "[ . 1 . 2]" 1
385 1 37 VAL HB 1 38 ALA HA . . 5.080 4.550 4.503 4.633 . 0 0 "[ . 1 . 2]" 1
386 1 37 VAL HB 1 38 ALA MB . . 4.750 4.175 4.085 4.266 . 0 0 "[ . 1 . 2]" 1
387 1 37 VAL MG1 1 38 ALA H . . 3.900 3.477 3.204 3.693 . 0 0 "[ . 1 . 2]" 1
388 1 37 VAL MG1 1 38 ALA HA . . 4.010 3.487 3.293 3.657 . 0 0 "[ . 1 . 2]" 1
389 1 37 VAL MG1 1 39 MET H . . 5.200 4.872 4.718 5.030 . 0 0 "[ . 1 . 2]" 1
390 1 37 VAL MG1 1 41 PHE H . . 4.670 3.731 3.470 4.099 . 0 0 "[ . 1 . 2]" 1
391 1 37 VAL MG1 1 42 ASP HA . . 4.580 4.194 3.930 4.561 . 0 0 "[ . 1 . 2]" 1
392 1 37 VAL MG1 1 43 ARG H . . 4.480 3.914 3.601 4.186 . 0 0 "[ . 1 . 2]" 1
393 1 37 VAL MG1 1 43 ARG HA . . 4.530 4.458 4.324 4.570 0.040 5 0 "[ . 1 . 2]" 1
394 1 37 VAL MG1 1 43 ARG QD . . 4.950 4.726 4.180 4.957 0.007 18 0 "[ . 1 . 2]" 1
395 1 37 VAL MG2 1 38 ALA H . . 4.080 4.109 4.070 4.155 0.075 18 0 "[ . 1 . 2]" 1
396 1 37 VAL MG2 1 41 PHE HB2 . . 4.370 3.455 3.187 3.751 . 0 0 "[ . 1 . 2]" 1
397 1 37 VAL MG2 1 41 PHE HB3 . . 4.450 3.963 3.632 4.155 . 0 0 "[ . 1 . 2]" 1
398 1 37 VAL MG2 1 42 ASP HA . . 4.240 3.336 3.072 4.040 . 0 0 "[ . 1 . 2]" 1
399 1 37 VAL MG2 1 43 ARG H . . 3.890 2.567 2.239 2.993 . 0 0 "[ . 1 . 2]" 1
400 1 37 VAL MG2 1 43 ARG HA . . 3.120 2.305 2.181 2.395 . 0 0 "[ . 1 . 2]" 1
401 1 37 VAL MG2 1 43 ARG HB2 . . 4.050 2.788 2.493 2.938 . 0 0 "[ . 1 . 2]" 1
402 1 37 VAL MG2 1 43 ARG HB3 . . 4.060 3.976 3.632 4.097 0.037 7 0 "[ . 1 . 2]" 1
403 1 37 VAL MG2 1 43 ARG QD . . 3.870 3.628 3.177 3.878 0.008 16 0 "[ . 1 . 2]" 1
404 1 37 VAL MG2 1 43 ARG HG2 . . 4.990 4.689 4.506 4.969 . 0 0 "[ . 1 . 2]" 1
405 1 37 VAL MG2 1 43 ARG HG3 . . 4.140 3.594 3.275 4.051 . 0 0 "[ . 1 . 2]" 1
406 1 37 VAL MG2 1 46 VAL HB . . 3.880 3.660 3.410 3.833 . 0 0 "[ . 1 . 2]" 1
407 1 38 ALA H 1 38 ALA MB . . 2.750 2.129 2.021 2.187 . 0 0 "[ . 1 . 2]" 1
408 1 38 ALA H 1 39 MET H . . 3.240 2.551 2.390 2.673 . 0 0 "[ . 1 . 2]" 1
409 1 38 ALA HA 1 40 GLY H . . 4.080 3.873 3.348 4.080 . 0 0 "[ . 1 . 2]" 1
410 1 38 ALA MB 1 39 MET H . . 3.540 2.761 2.634 2.931 . 0 0 "[ . 1 . 2]" 1
411 1 38 ALA MB 1 39 MET HA . . 4.660 3.856 3.766 3.912 . 0 0 "[ . 1 . 2]" 1
412 1 38 ALA MB 1 39 MET HG3 . . 4.820 4.195 3.448 4.419 . 0 0 "[ . 1 . 2]" 1
413 1 39 MET H 1 39 MET HB2 . . 3.280 2.354 2.223 2.449 . 0 0 "[ . 1 . 2]" 1
414 1 39 MET H 1 39 MET HB3 . . 3.740 3.515 3.479 3.530 . 0 0 "[ . 1 . 2]" 1
415 1 39 MET H 1 39 MET ME . . 4.630 4.539 4.281 4.639 0.009 10 0 "[ . 1 . 2]" 1
416 1 39 MET H 1 39 MET HG2 . . 3.820 2.577 2.283 3.830 0.010 7 0 "[ . 1 . 2]" 1
417 1 39 MET H 1 39 MET HG3 . . 3.370 2.910 2.535 3.126 . 0 0 "[ . 1 . 2]" 1
418 1 39 MET H 1 40 GLY H . . 3.120 2.561 2.452 2.678 . 0 0 "[ . 1 . 2]" 1
419 1 39 MET H 1 40 GLY HA2 . . 5.250 4.918 4.811 5.010 . 0 0 "[ . 1 . 2]" 1
420 1 39 MET HA 1 39 MET HG2 . . 3.330 2.455 2.320 2.635 . 0 0 "[ . 1 . 2]" 1
421 1 39 MET HA 1 39 MET HG3 . . 3.730 3.632 2.637 3.741 0.011 5 0 "[ . 1 . 2]" 1
422 1 39 MET HB2 1 40 GLY H . . 5.210 3.097 2.958 3.716 . 0 0 "[ . 1 . 2]" 1
423 1 39 MET HB2 1 41 PHE H . . 4.610 3.913 3.492 4.220 . 0 0 "[ . 1 . 2]" 1
424 1 39 MET HB2 1 41 PHE QD . . 4.150 2.522 2.127 2.679 . 0 0 "[ . 1 . 2]" 1
425 1 39 MET HB2 1 41 PHE QE . . 4.510 3.122 2.491 3.650 . 0 0 "[ . 1 . 2]" 1
426 1 39 MET HB3 1 41 PHE QD . . 4.560 3.866 3.528 4.078 . 0 0 "[ . 1 . 2]" 1
427 1 39 MET HB3 1 41 PHE QE . . 4.540 3.365 2.639 3.755 . 0 0 "[ . 1 . 2]" 1
428 1 39 MET HB3 1 41 PHE HZ . . 5.500 4.703 3.828 5.344 . 0 0 "[ . 1 . 2]" 1
429 1 40 GLY H 1 41 PHE H . . 3.090 2.003 1.882 2.232 . 0 0 "[ . 1 . 2]" 1
430 1 40 GLY H 1 41 PHE QD . . 5.190 4.140 3.811 4.653 . 0 0 "[ . 1 . 2]" 1
431 1 41 PHE H 1 41 PHE HB2 . . 3.310 2.348 2.189 2.455 . 0 0 "[ . 1 . 2]" 1
432 1 41 PHE H 1 41 PHE HB3 . . 3.880 3.570 3.445 3.643 . 0 0 "[ . 1 . 2]" 1
433 1 41 PHE H 1 41 PHE QD . . 3.820 3.581 3.394 3.767 . 0 0 "[ . 1 . 2]" 1
434 1 41 PHE H 1 42 ASP H . . 4.780 4.502 4.441 4.548 . 0 0 "[ . 1 . 2]" 1
435 1 41 PHE H 1 46 VAL MG2 . . 4.390 4.397 4.315 4.470 0.080 10 0 "[ . 1 . 2]" 1
436 1 41 PHE HA 1 42 ASP H . . 3.510 2.436 2.306 2.538 . 0 0 "[ . 1 . 2]" 1
437 1 41 PHE HB2 1 42 ASP H . . 4.130 3.888 3.657 4.136 0.006 18 0 "[ . 1 . 2]" 1
438 1 41 PHE HB2 1 46 VAL MG2 . . 3.260 2.737 2.567 2.878 . 0 0 "[ . 1 . 2]" 1
439 1 41 PHE HB2 1 64 LEU QD . . 3.830 2.978 2.786 3.219 . 0 0 "[ . 1 . 2]" 1
440 1 41 PHE HB2 1 64 LEU HG . . 4.570 4.592 4.558 4.661 0.091 15 0 "[ . 1 . 2]" 1
441 1 41 PHE HB3 1 42 ASP H . . 3.610 2.637 2.382 2.990 . 0 0 "[ . 1 . 2]" 1
442 1 41 PHE HB3 1 45 GLN HB2 . . 4.710 3.296 2.973 3.640 . 0 0 "[ . 1 . 2]" 1
443 1 41 PHE HB3 1 45 GLN HB3 . . 4.900 4.329 3.878 4.811 . 0 0 "[ . 1 . 2]" 1
444 1 41 PHE HB3 1 46 VAL H . . 5.230 4.143 3.963 4.309 . 0 0 "[ . 1 . 2]" 1
445 1 41 PHE HB3 1 46 VAL MG1 . . 4.720 4.696 4.527 4.739 0.019 19 0 "[ . 1 . 2]" 1
446 1 41 PHE HB3 1 46 VAL MG2 . . 3.210 2.358 2.301 2.440 . 0 0 "[ . 1 . 2]" 1
447 1 41 PHE HB3 1 64 LEU QD . . 3.790 1.892 1.793 1.968 . 0 0 "[ . 1 . 2]" 1
448 1 41 PHE HB3 1 64 LEU HG . . 4.330 3.947 3.725 4.126 . 0 0 "[ . 1 . 2]" 1
449 1 41 PHE QD 1 42 ASP H . . 4.870 3.430 3.097 3.672 . 0 0 "[ . 1 . 2]" 1
450 1 41 PHE QD 1 46 VAL MG2 . . 4.200 3.446 3.348 3.567 . 0 0 "[ . 1 . 2]" 1
451 1 41 PHE QD 1 64 LEU HB3 . . 4.310 2.912 2.650 3.213 . 0 0 "[ . 1 . 2]" 1
452 1 41 PHE QD 1 64 LEU QD . . 3.940 2.593 2.479 2.731 . 0 0 "[ . 1 . 2]" 1
453 1 41 PHE QD 1 64 LEU HG . . 4.050 3.769 3.450 3.951 . 0 0 "[ . 1 . 2]" 1
454 1 41 PHE QE 1 61 VAL HA . . 5.150 3.629 3.173 3.917 . 0 0 "[ . 1 . 2]" 1
455 1 41 PHE QE 1 61 VAL QG . . 4.230 2.760 2.398 3.102 . 0 0 "[ . 1 . 2]" 1
456 1 41 PHE QE 1 64 LEU HB2 . . 4.810 3.346 3.085 3.505 . 0 0 "[ . 1 . 2]" 1
457 1 41 PHE QE 1 64 LEU HB3 . . 4.480 2.789 2.644 2.930 . 0 0 "[ . 1 . 2]" 1
458 1 41 PHE QE 1 64 LEU QD . . 4.610 3.579 3.370 3.766 . 0 0 "[ . 1 . 2]" 1
459 1 41 PHE QE 1 64 LEU HG . . 4.470 4.264 3.796 4.455 . 0 0 "[ . 1 . 2]" 1
460 1 41 PHE QE 1 65 MET HA . . 4.010 2.874 2.440 3.535 . 0 0 "[ . 1 . 2]" 1
461 1 41 PHE QE 1 65 MET ME . . 4.720 3.850 3.006 4.526 . 0 0 "[ . 1 . 2]" 1
462 1 41 PHE QE 1 65 MET HG2 . . 5.280 3.455 2.856 3.901 . 0 0 "[ . 1 . 2]" 1
463 1 41 PHE HZ 1 61 VAL QG . . 5.140 3.512 3.061 3.969 . 0 0 "[ . 1 . 2]" 1
464 1 41 PHE HZ 1 64 LEU HB2 . . 5.500 3.508 3.241 3.715 . 0 0 "[ . 1 . 2]" 1
465 1 41 PHE HZ 1 64 LEU HB3 . . 4.710 3.301 2.863 3.637 . 0 0 "[ . 1 . 2]" 1
466 1 41 PHE HZ 1 65 MET HA . . 4.700 2.947 2.351 3.434 . 0 0 "[ . 1 . 2]" 1
467 1 41 PHE HZ 1 65 MET ME . . 4.780 3.244 2.155 4.013 . 0 0 "[ . 1 . 2]" 1
468 1 41 PHE HZ 1 65 MET HG2 . . 4.500 2.246 1.989 2.852 . 0 0 "[ . 1 . 2]" 1
469 1 41 PHE HZ 1 65 MET HG3 . . 4.490 3.642 2.767 4.448 . 0 0 "[ . 1 . 2]" 1
470 1 42 ASP H 1 42 ASP HB2 . . 3.280 2.263 2.121 2.431 . 0 0 "[ . 1 . 2]" 1
471 1 42 ASP H 1 42 ASP HB3 . . 3.250 2.873 2.759 3.279 0.029 3 0 "[ . 1 . 2]" 1
472 1 42 ASP H 1 45 GLN HB2 . . 4.540 2.583 2.392 2.883 . 0 0 "[ . 1 . 2]" 1
473 1 42 ASP H 1 45 GLN HB3 . . 4.620 3.995 3.797 4.317 . 0 0 "[ . 1 . 2]" 1
474 1 42 ASP H 1 45 GLN HG3 . . 5.170 2.962 2.577 3.294 . 0 0 "[ . 1 . 2]" 1
475 1 42 ASP HA 1 43 ARG H . . 2.770 2.288 2.265 2.323 . 0 0 "[ . 1 . 2]" 1
476 1 42 ASP HA 1 43 ARG HA . . 4.580 4.324 4.308 4.342 . 0 0 "[ . 1 . 2]" 1
477 1 42 ASP HA 1 43 ARG HB2 . . 4.940 4.651 4.532 4.817 . 0 0 "[ . 1 . 2]" 1
478 1 42 ASP HA 1 43 ARG HB3 . . 4.950 4.770 4.631 4.958 0.008 7 0 "[ . 1 . 2]" 1
479 1 42 ASP HA 1 44 THR H . . 4.680 4.255 4.128 4.407 . 0 0 "[ . 1 . 2]" 1
480 1 42 ASP HB2 1 44 THR H . . 4.840 4.727 4.296 4.865 0.025 10 0 "[ . 1 . 2]" 1
481 1 42 ASP HB2 1 45 GLN H . . 4.300 3.679 3.093 3.845 . 0 0 "[ . 1 . 2]" 1
482 1 42 ASP HB2 1 45 GLN HB2 . . 4.390 3.542 2.912 3.787 . 0 0 "[ . 1 . 2]" 1
483 1 42 ASP HB2 1 45 GLN HB3 . . 5.000 4.814 4.293 5.025 0.025 9 0 "[ . 1 . 2]" 1
484 1 42 ASP HB2 1 45 GLN HG2 . . 4.960 3.834 3.377 4.170 . 0 0 "[ . 1 . 2]" 1
485 1 42 ASP HB3 1 43 ARG H . . 4.380 3.798 3.285 3.921 . 0 0 "[ . 1 . 2]" 1
486 1 42 ASP HB3 1 44 THR H . . 4.290 3.195 2.611 3.385 . 0 0 "[ . 1 . 2]" 1
487 1 42 ASP HB3 1 45 GLN H . . 3.890 2.123 2.015 2.404 . 0 0 "[ . 1 . 2]" 1
488 1 42 ASP HB3 1 45 GLN HB2 . . 3.860 2.977 2.840 3.536 . 0 0 "[ . 1 . 2]" 1
489 1 42 ASP HB3 1 45 GLN HB3 . . 4.270 4.362 4.246 5.009 0.739 3 2 "[ + . 1 . - 2]" 1
490 1 42 ASP HB3 1 45 GLN HG2 . . 4.470 3.022 2.341 3.789 . 0 0 "[ . 1 . 2]" 1
491 1 43 ARG H 1 43 ARG HB2 . . 3.130 2.404 2.280 2.566 . 0 0 "[ . 1 . 2]" 1
492 1 43 ARG H 1 43 ARG HB3 . . 3.510 2.616 2.452 2.781 . 0 0 "[ . 1 . 2]" 1
493 1 43 ARG H 1 43 ARG QD . . 4.900 4.327 4.170 4.714 . 0 0 "[ . 1 . 2]" 1
494 1 43 ARG H 1 44 THR H . . 3.680 3.024 2.906 3.086 . 0 0 "[ . 1 . 2]" 1
495 1 43 ARG HA 1 43 ARG QD . . 4.130 3.730 3.509 3.972 . 0 0 "[ . 1 . 2]" 1
496 1 43 ARG HA 1 43 ARG HG2 . . 3.860 3.450 3.358 3.708 . 0 0 "[ . 1 . 2]" 1
497 1 43 ARG HA 1 43 ARG HG3 . . 3.420 2.443 2.303 2.614 . 0 0 "[ . 1 . 2]" 1
498 1 43 ARG HA 1 45 GLN H . . 5.060 4.880 4.491 5.155 0.095 17 0 "[ . 1 . 2]" 1
499 1 43 ARG HA 1 46 VAL H . . 3.960 3.546 3.308 3.748 . 0 0 "[ . 1 . 2]" 1
500 1 43 ARG HA 1 46 VAL HB . . 3.160 2.837 2.565 3.123 . 0 0 "[ . 1 . 2]" 1
501 1 43 ARG HA 1 46 VAL MG1 . . 4.400 4.054 3.821 4.285 . 0 0 "[ . 1 . 2]" 1
502 1 43 ARG HA 1 46 VAL MG2 . . 3.640 2.630 2.315 2.803 . 0 0 "[ . 1 . 2]" 1
503 1 43 ARG HA 1 47 GLU HG2 . . 5.500 5.416 5.004 5.525 0.025 12 0 "[ . 1 . 2]" 1
504 1 43 ARG HA 1 47 GLU HG3 . . 5.200 4.249 3.807 4.538 . 0 0 "[ . 1 . 2]" 1
505 1 43 ARG HB2 1 43 ARG QD . . 3.220 2.230 2.094 2.680 . 0 0 "[ . 1 . 2]" 1
506 1 43 ARG HB2 1 44 THR H . . 4.160 3.831 3.682 3.996 . 0 0 "[ . 1 . 2]" 1
507 1 43 ARG HB3 1 43 ARG QD . . 3.710 2.713 2.518 3.006 . 0 0 "[ . 1 . 2]" 1
508 1 43 ARG HB3 1 44 THR H . . 3.560 2.474 2.366 2.636 . 0 0 "[ . 1 . 2]" 1
509 1 43 ARG QD 1 47 GLU HG3 . . 5.220 4.545 3.950 4.815 . 0 0 "[ . 1 . 2]" 1
510 1 43 ARG HE 1 47 GLU HG3 . . 5.060 4.033 3.009 5.102 0.042 7 0 "[ . 1 . 2]" 1
511 1 43 ARG HG2 1 44 THR H . . 4.510 3.672 3.414 3.925 . 0 0 "[ . 1 . 2]" 1
512 1 43 ARG HG2 1 44 THR HA . . 4.840 3.685 3.365 4.065 . 0 0 "[ . 1 . 2]" 1
513 1 43 ARG HG2 1 47 GLU H . . 5.180 4.471 4.086 4.853 . 0 0 "[ . 1 . 2]" 1
514 1 43 ARG HG2 1 47 GLU HG2 . . 4.800 4.327 3.864 4.808 0.008 18 0 "[ . 1 . 2]" 1
515 1 43 ARG HG2 1 47 GLU HG3 . . 4.190 2.834 2.295 3.273 . 0 0 "[ . 1 . 2]" 1
516 1 43 ARG HG3 1 44 THR HA . . 5.050 4.653 3.994 4.865 . 0 0 "[ . 1 . 2]" 1
517 1 43 ARG HG3 1 46 VAL HB . . 4.630 3.715 3.544 3.908 . 0 0 "[ . 1 . 2]" 1
518 1 43 ARG HG3 1 47 GLU H . . 4.870 4.181 3.709 4.456 . 0 0 "[ . 1 . 2]" 1
519 1 43 ARG HG3 1 47 GLU HG2 . . 4.920 4.012 3.518 4.233 . 0 0 "[ . 1 . 2]" 1
520 1 43 ARG HG3 1 47 GLU HG3 . . 4.490 2.907 2.472 3.208 . 0 0 "[ . 1 . 2]" 1
521 1 44 THR H 1 44 THR HB . . 3.120 2.442 2.256 2.753 . 0 0 "[ . 1 . 2]" 1
522 1 44 THR H 1 44 THR MG . . 3.740 3.655 3.557 3.678 . 0 0 "[ . 1 . 2]" 1
523 1 44 THR H 1 45 GLN H . . 3.090 2.921 2.781 3.026 . 0 0 "[ . 1 . 2]" 1
524 1 44 THR HA 1 44 THR MG . . 3.120 2.386 2.159 2.550 . 0 0 "[ . 1 . 2]" 1
525 1 44 THR HA 1 47 GLU H . . 3.980 3.379 3.108 3.715 . 0 0 "[ . 1 . 2]" 1
526 1 44 THR HA 1 47 GLU HB2 . . 4.080 2.651 2.612 2.694 . 0 0 "[ . 1 . 2]" 1
527 1 44 THR HA 1 47 GLU HB3 . . 4.280 4.316 4.286 4.357 0.077 10 0 "[ . 1 . 2]" 1
528 1 44 THR HA 1 47 GLU HG2 . . 4.960 4.876 4.570 4.998 0.038 11 0 "[ . 1 . 2]" 1
529 1 44 THR HA 1 47 GLU HG3 . . 4.320 3.349 2.989 3.595 . 0 0 "[ . 1 . 2]" 1
530 1 44 THR HA 1 48 VAL H . . 3.910 3.625 3.475 3.830 . 0 0 "[ . 1 . 2]" 1
531 1 44 THR HA 1 48 VAL QG . . 4.820 3.667 3.258 4.650 . 0 0 "[ . 1 . 2]" 1
532 1 44 THR HB 1 45 GLN H . . 3.340 2.382 2.196 2.601 . 0 0 "[ . 1 . 2]" 1
533 1 44 THR HB 1 45 GLN HB2 . . 4.880 4.865 4.735 4.897 0.017 14 0 "[ . 1 . 2]" 1
534 1 44 THR HB 1 45 GLN HG3 . . 4.910 4.164 3.990 4.769 . 0 0 "[ . 1 . 2]" 1
535 1 44 THR HB 1 48 VAL QG . . 4.910 4.182 3.575 4.762 . 0 0 "[ . 1 . 2]" 1
536 1 44 THR MG 1 45 GLN H . . 4.070 3.330 2.960 3.881 . 0 0 "[ . 1 . 2]" 1
537 1 44 THR MG 1 45 GLN HA . . 4.630 3.588 3.198 4.206 . 0 0 "[ . 1 . 2]" 1
538 1 45 GLN H 1 45 GLN HB2 . . 3.190 2.550 2.449 2.651 . 0 0 "[ . 1 . 2]" 1
539 1 45 GLN H 1 45 GLN HB3 . . 3.640 3.555 3.548 3.565 . 0 0 "[ . 1 . 2]" 1
540 1 45 GLN H 1 45 GLN HG2 . . 3.600 2.329 1.930 2.615 . 0 0 "[ . 1 . 2]" 1
541 1 45 GLN H 1 45 GLN HG3 . . 3.460 2.661 2.514 3.237 . 0 0 "[ . 1 . 2]" 1
542 1 45 GLN H 1 46 VAL H . . 3.190 2.859 2.650 3.013 . 0 0 "[ . 1 . 2]" 1
543 1 45 GLN H 1 46 VAL MG2 . . 4.500 4.043 3.829 4.213 . 0 0 "[ . 1 . 2]" 1
544 1 45 GLN H 1 48 VAL QG . . 4.880 3.933 3.164 4.360 . 0 0 "[ . 1 . 2]" 1
545 1 45 GLN HA 1 45 GLN HG2 . . 3.590 2.389 2.312 2.769 . 0 0 "[ . 1 . 2]" 1
546 1 45 GLN HA 1 45 GLN HG3 . . 3.750 3.606 3.549 3.756 0.006 11 0 "[ . 1 . 2]" 1
547 1 45 GLN HA 1 48 VAL H . . 3.930 3.807 3.409 3.967 0.037 9 0 "[ . 1 . 2]" 1
548 1 45 GLN HA 1 48 VAL HB . . 3.470 3.152 2.408 4.074 0.604 17 4 "[ . 1 * . +* -]" 1
549 1 45 GLN HA 1 48 VAL QG . . 3.450 2.537 1.694 3.218 . 0 0 "[ . 1 . 2]" 1
550 1 45 GLN HA 1 49 ALA H . . 4.630 3.827 3.495 4.220 . 0 0 "[ . 1 . 2]" 1
551 1 45 GLN HA 1 64 LEU QD . . 4.280 3.390 3.273 3.680 . 0 0 "[ . 1 . 2]" 1
552 1 45 GLN HB2 1 45 GLN HG2 . . 2.890 2.887 2.632 2.936 0.046 7 0 "[ . 1 . 2]" 1
553 1 45 GLN HB2 1 46 VAL H . . 3.880 2.774 2.447 2.982 . 0 0 "[ . 1 . 2]" 1
554 1 45 GLN HB2 1 46 VAL MG2 . . 4.630 3.035 2.910 3.161 . 0 0 "[ . 1 . 2]" 1
555 1 45 GLN HB2 1 64 LEU QD . . 3.790 2.228 1.962 2.397 . 0 0 "[ . 1 . 2]" 1
556 1 45 GLN HB3 1 46 VAL H . . 3.930 3.798 3.505 3.984 0.054 18 0 "[ . 1 . 2]" 1
557 1 45 GLN HB3 1 46 VAL HA . . 4.780 4.462 4.338 4.567 . 0 0 "[ . 1 . 2]" 1
558 1 45 GLN HB3 1 46 VAL MG2 . . 4.370 4.076 3.903 4.217 . 0 0 "[ . 1 . 2]" 1
559 1 45 GLN HB3 1 64 LEU QD . . 3.310 2.053 1.941 2.191 . 0 0 "[ . 1 . 2]" 1
560 1 45 GLN HB3 1 64 LEU HG . . 4.920 4.849 4.753 4.942 0.022 11 0 "[ . 1 . 2]" 1
561 1 45 GLN HE22 1 64 LEU QD . . 4.850 4.422 3.522 5.163 0.313 11 0 "[ . 1 . 2]" 1
562 1 45 GLN HG2 1 46 VAL H . . 4.560 4.596 4.320 4.660 0.100 7 0 "[ . 1 . 2]" 1
563 1 45 GLN HG2 1 64 LEU QD . . 4.260 4.175 4.035 4.245 . 0 0 "[ . 1 . 2]" 1
564 1 45 GLN HG3 1 46 VAL H . . 4.630 4.588 4.444 4.695 0.065 17 0 "[ . 1 . 2]" 1
565 1 45 GLN HG3 1 64 LEU QD . . 4.350 3.873 3.582 4.011 . 0 0 "[ . 1 . 2]" 1
566 1 46 VAL H 1 46 VAL HB . . 3.040 2.453 2.393 2.578 . 0 0 "[ . 1 . 2]" 1
567 1 46 VAL H 1 46 VAL MG1 . . 3.850 3.706 3.698 3.717 . 0 0 "[ . 1 . 2]" 1
568 1 46 VAL H 1 46 VAL MG2 . . 3.070 1.958 1.889 2.101 . 0 0 "[ . 1 . 2]" 1
569 1 46 VAL H 1 64 LEU QD . . 4.310 2.761 2.491 2.987 . 0 0 "[ . 1 . 2]" 1
570 1 46 VAL H 1 64 LEU HG . . 5.160 5.064 4.803 5.231 0.071 20 0 "[ . 1 . 2]" 1
571 1 46 VAL HA 1 46 VAL MG1 . . 3.150 2.300 2.193 2.374 . 0 0 "[ . 1 . 2]" 1
572 1 46 VAL HA 1 46 VAL MG2 . . 3.040 2.456 2.349 2.503 . 0 0 "[ . 1 . 2]" 1
573 1 46 VAL HA 1 47 GLU HA . . 5.250 4.775 4.724 4.847 . 0 0 "[ . 1 . 2]" 1
574 1 46 VAL HA 1 48 VAL H . . 5.150 4.873 4.378 5.242 0.092 14 0 "[ . 1 . 2]" 1
575 1 46 VAL HA 1 49 ALA H . . 4.020 3.734 3.316 3.973 . 0 0 "[ . 1 . 2]" 1
576 1 46 VAL HA 1 49 ALA MB . . 3.350 2.878 2.412 3.185 . 0 0 "[ . 1 . 2]" 1
577 1 46 VAL HA 1 50 LEU H . . 4.600 3.582 3.450 3.769 . 0 0 "[ . 1 . 2]" 1
578 1 46 VAL HA 1 50 LEU HG . . 4.990 4.198 3.490 5.114 0.124 11 0 "[ . 1 . 2]" 1
579 1 46 VAL HA 1 64 LEU QD . . 3.110 1.970 1.826 2.118 . 0 0 "[ . 1 . 2]" 1
580 1 46 VAL HA 1 64 LEU HG . . 3.360 3.082 2.945 3.364 0.004 11 0 "[ . 1 . 2]" 1
581 1 46 VAL HB 1 47 GLU H . . 3.420 2.358 2.041 2.691 . 0 0 "[ . 1 . 2]" 1
582 1 46 VAL MG1 1 47 GLU H . . 3.790 3.361 3.071 3.639 . 0 0 "[ . 1 . 2]" 1
583 1 46 VAL MG1 1 47 GLU HA . . 4.090 3.621 3.492 3.777 . 0 0 "[ . 1 . 2]" 1
584 1 46 VAL MG1 1 47 GLU HG2 . . 5.070 3.895 3.689 4.135 . 0 0 "[ . 1 . 2]" 1
585 1 46 VAL MG1 1 47 GLU HG3 . . 4.790 4.268 3.980 4.582 . 0 0 "[ . 1 . 2]" 1
586 1 46 VAL MG1 1 50 LEU HB2 . . 4.780 3.589 3.202 3.903 . 0 0 "[ . 1 . 2]" 1
587 1 46 VAL MG1 1 50 LEU HB3 . . 5.110 4.529 4.287 4.751 . 0 0 "[ . 1 . 2]" 1
588 1 46 VAL MG1 1 50 LEU QD . . 2.920 1.791 1.644 2.053 . 0 0 "[ . 1 . 2]" 1
589 1 46 VAL MG1 1 50 LEU HG . . 3.640 2.612 2.322 2.827 . 0 0 "[ . 1 . 2]" 1
590 1 46 VAL MG1 1 64 LEU QD . . 4.400 3.133 2.992 3.253 . 0 0 "[ . 1 . 2]" 1
591 1 46 VAL MG1 1 64 LEU HG . . 3.790 3.791 3.638 3.885 0.095 10 0 "[ . 1 . 2]" 1
592 1 46 VAL MG2 1 47 GLU H . . 4.220 3.731 3.506 3.848 . 0 0 "[ . 1 . 2]" 1
593 1 46 VAL MG2 1 47 GLU HA . . 5.380 5.366 5.297 5.405 0.025 14 0 "[ . 1 . 2]" 1
594 1 46 VAL MG2 1 47 GLU HG3 . . 5.000 4.966 4.736 5.061 0.061 14 0 "[ . 1 . 2]" 1
595 1 46 VAL MG2 1 64 LEU QD . . 3.660 1.804 1.725 1.905 . 0 0 "[ . 1 . 2]" 1
596 1 46 VAL MG2 1 64 LEU HG . . 3.240 3.068 2.736 3.255 0.015 8 0 "[ . 1 . 2]" 1
597 1 47 GLU H 1 47 GLU HB2 . . 3.250 2.434 2.314 2.559 . 0 0 "[ . 1 . 2]" 1
598 1 47 GLU H 1 47 GLU HB3 . . 3.770 3.546 3.526 3.574 . 0 0 "[ . 1 . 2]" 1
599 1 47 GLU H 1 47 GLU HG2 . . 3.710 2.993 2.645 3.293 . 0 0 "[ . 1 . 2]" 1
600 1 47 GLU H 1 47 GLU HG3 . . 3.240 2.397 2.078 2.561 . 0 0 "[ . 1 . 2]" 1
601 1 47 GLU H 1 48 VAL H . . 3.440 2.941 2.732 3.119 . 0 0 "[ . 1 . 2]" 1
602 1 47 GLU H 1 49 ALA H . . 4.690 4.400 4.103 4.688 . 0 0 "[ . 1 . 2]" 1
603 1 47 GLU HA 1 47 GLU HG2 . . 3.320 2.255 2.205 2.382 . 0 0 "[ . 1 . 2]" 1
604 1 47 GLU HA 1 47 GLU HG3 . . 3.750 3.274 3.059 3.397 . 0 0 "[ . 1 . 2]" 1
605 1 47 GLU HA 1 49 ALA H . . 5.030 4.668 4.307 5.038 0.008 10 0 "[ . 1 . 2]" 1
606 1 47 GLU HA 1 50 LEU H . . 4.180 3.689 3.574 3.893 . 0 0 "[ . 1 . 2]" 1
607 1 47 GLU HA 1 50 LEU HB2 . . 3.630 2.386 2.238 2.624 . 0 0 "[ . 1 . 2]" 1
608 1 47 GLU HA 1 50 LEU HB3 . . 4.270 3.777 3.526 4.196 . 0 0 "[ . 1 . 2]" 1
609 1 47 GLU HA 1 50 LEU QD . . 3.680 2.874 2.495 3.569 . 0 0 "[ . 1 . 2]" 1
610 1 47 GLU HA 1 50 LEU HG . . 4.560 4.211 3.350 4.563 0.003 7 0 "[ . 1 . 2]" 1
611 1 47 GLU HA 1 51 ALA H . . 4.810 4.134 3.887 4.443 . 0 0 "[ . 1 . 2]" 1
612 1 47 GLU HB2 1 48 VAL H . . 3.620 2.396 2.255 2.606 . 0 0 "[ . 1 . 2]" 1
613 1 47 GLU HB2 1 48 VAL QG . . 4.100 3.474 3.069 4.154 0.054 12 0 "[ . 1 . 2]" 1
614 1 47 GLU HB3 1 48 VAL H . . 4.070 3.320 3.026 3.565 . 0 0 "[ . 1 . 2]" 1
615 1 47 GLU HB3 1 48 VAL QG . . 4.950 4.125 3.744 4.695 . 0 0 "[ . 1 . 2]" 1
616 1 47 GLU HG2 1 48 VAL H . . 4.960 4.792 4.718 4.913 . 0 0 "[ . 1 . 2]" 1
617 1 47 GLU HG3 1 48 VAL H . . 5.140 4.376 4.263 4.480 . 0 0 "[ . 1 . 2]" 1
618 1 48 VAL H 1 48 VAL HB . . 3.030 2.564 2.147 3.493 0.463 20 0 "[ . 1 . 2]" 1
619 1 48 VAL H 1 48 VAL QG . . 2.940 2.146 1.795 2.482 . 0 0 "[ . 1 . 2]" 1
620 1 48 VAL H 1 49 ALA H . . 3.380 2.984 2.721 3.148 . 0 0 "[ . 1 . 2]" 1
621 1 48 VAL H 1 49 ALA MB . . 4.500 4.517 4.320 4.616 0.116 13 0 "[ . 1 . 2]" 1
622 1 48 VAL HA 1 48 VAL QG . . 2.900 2.114 2.053 2.203 . 0 0 "[ . 1 . 2]" 1
623 1 48 VAL HA 1 49 ALA MB . . 5.080 5.027 5.006 5.034 . 0 0 "[ . 1 . 2]" 1
624 1 48 VAL HA 1 51 ALA H . . 3.940 3.679 3.563 3.800 . 0 0 "[ . 1 . 2]" 1
625 1 48 VAL HA 1 51 ALA MB . . 3.260 2.611 2.509 2.702 . 0 0 "[ . 1 . 2]" 1
626 1 48 VAL HA 1 52 ALA H . . 4.670 4.606 4.459 4.715 0.045 15 0 "[ . 1 . 2]" 1
627 1 48 VAL HB 1 49 ALA H . . 3.390 2.811 2.262 3.655 0.265 16 0 "[ . 1 . 2]" 1
628 1 48 VAL HB 1 49 ALA HA . . 4.990 4.555 3.980 5.568 0.578 16 4 "[ . 1 - *.+ *2]" 1
629 1 48 VAL HB 1 49 ALA MB . . 4.840 4.151 3.747 5.069 0.229 16 0 "[ . 1 . 2]" 1
630 1 48 VAL QG 1 49 ALA H . . 3.950 2.577 1.754 3.341 . 0 0 "[ . 1 . 2]" 1
631 1 48 VAL QG 1 49 ALA HA . . 3.980 3.393 2.852 3.907 . 0 0 "[ . 1 . 2]" 1
632 1 48 VAL QG 1 51 ALA H . . 4.680 4.285 4.087 4.396 . 0 0 "[ . 1 . 2]" 1
633 1 49 ALA H 1 49 ALA MB . . 2.920 2.078 2.027 2.145 . 0 0 "[ . 1 . 2]" 1
634 1 49 ALA H 1 50 LEU H . . 3.290 2.923 2.804 3.060 . 0 0 "[ . 1 . 2]" 1
635 1 49 ALA H 1 51 ALA MB . . 4.520 4.448 4.375 4.554 0.034 10 0 "[ . 1 . 2]" 1
636 1 49 ALA H 1 63 ILE MG . . 5.060 3.795 3.525 3.939 . 0 0 "[ . 1 . 2]" 1
637 1 49 ALA H 1 64 LEU QD . . 4.270 3.078 2.986 3.295 . 0 0 "[ . 1 . 2]" 1
638 1 49 ALA HA 1 51 ALA H . . 4.480 3.833 3.778 4.081 . 0 0 "[ . 1 . 2]" 1
639 1 49 ALA HA 1 52 ALA H . . 3.800 3.163 3.086 3.296 . 0 0 "[ . 1 . 2]" 1
640 1 49 ALA HA 1 52 ALA MB . . 3.190 2.830 2.683 3.068 . 0 0 "[ . 1 . 2]" 1
641 1 49 ALA HA 1 53 ALA H . . 4.400 3.963 3.681 4.317 . 0 0 "[ . 1 . 2]" 1
642 1 49 ALA HA 1 53 ALA MB . . 4.240 3.930 3.796 4.082 . 0 0 "[ . 1 . 2]" 1
643 1 49 ALA HA 1 60 ALA MB . . 4.590 4.581 4.412 4.686 0.096 15 0 "[ . 1 . 2]" 1
644 1 49 ALA HA 1 63 ILE HB . . 4.570 3.871 3.615 4.008 . 0 0 "[ . 1 . 2]" 1
645 1 49 ALA HA 1 63 ILE MD . . 3.600 2.598 2.143 2.888 . 0 0 "[ . 1 . 2]" 1
646 1 49 ALA HA 1 63 ILE HG13 . . 5.500 5.389 5.007 5.548 0.048 17 0 "[ . 1 . 2]" 1
647 1 49 ALA HA 1 63 ILE MG . . 3.240 2.337 2.016 2.648 . 0 0 "[ . 1 . 2]" 1
648 1 49 ALA MB 1 50 LEU H . . 3.350 2.136 2.093 2.264 . 0 0 "[ . 1 . 2]" 1
649 1 49 ALA MB 1 50 LEU HA . . 3.460 3.667 3.637 3.727 0.267 15 0 "[ . 1 . 2]" 1
650 1 49 ALA MB 1 50 LEU HB2 . . 4.240 4.145 4.031 4.301 0.061 8 0 "[ . 1 . 2]" 1
651 1 49 ALA MB 1 51 ALA H . . 4.490 4.097 4.050 4.225 . 0 0 "[ . 1 . 2]" 1
652 1 49 ALA MB 1 52 ALA H . . 4.600 4.460 4.396 4.599 . 0 0 "[ . 1 . 2]" 1
653 1 49 ALA MB 1 53 ALA H . . 4.720 4.327 4.079 4.589 . 0 0 "[ . 1 . 2]" 1
654 1 49 ALA MB 1 63 ILE H . . 4.550 3.884 3.768 3.959 . 0 0 "[ . 1 . 2]" 1
655 1 49 ALA MB 1 63 ILE HB . . 3.690 1.983 1.944 2.274 . 0 0 "[ . 1 . 2]" 1
656 1 49 ALA MB 1 63 ILE MD . . 3.500 2.426 2.173 2.553 . 0 0 "[ . 1 . 2]" 1
657 1 49 ALA MB 1 63 ILE HG13 . . 4.610 4.078 3.990 4.199 . 0 0 "[ . 1 . 2]" 1
658 1 49 ALA MB 1 63 ILE MG . . 3.100 1.894 1.787 2.119 . 0 0 "[ . 1 . 2]" 1
659 1 49 ALA MB 1 64 LEU H . . 4.230 3.297 3.208 3.349 . 0 0 "[ . 1 . 2]" 1
660 1 49 ALA MB 1 64 LEU QD . . 3.330 1.628 1.611 1.643 . 0 0 "[ . 1 . 2]" 1
661 1 49 ALA MB 1 64 LEU HG . . 3.530 3.597 3.495 3.704 0.174 11 0 "[ . 1 . 2]" 1
662 1 50 LEU H 1 50 LEU HB2 . . 3.040 2.271 2.157 2.387 . 0 0 "[ . 1 . 2]" 1
663 1 50 LEU H 1 50 LEU HB3 . . 3.560 3.504 3.454 3.539 . 0 0 "[ . 1 . 2]" 1
664 1 50 LEU H 1 50 LEU QD . . 3.970 2.940 1.753 3.329 . 0 0 "[ . 1 . 2]" 1
665 1 50 LEU H 1 50 LEU HG . . 3.290 2.810 2.396 3.517 0.227 8 0 "[ . 1 . 2]" 1
666 1 50 LEU H 1 51 ALA H . . 3.230 2.916 2.887 2.961 . 0 0 "[ . 1 . 2]" 1
667 1 50 LEU H 1 53 ALA MB . . 4.980 3.717 3.589 3.872 . 0 0 "[ . 1 . 2]" 1
668 1 50 LEU H 1 60 ALA MB . . 4.290 3.019 2.746 3.300 . 0 0 "[ . 1 . 2]" 1
669 1 50 LEU HA 1 50 LEU QD . . 2.750 2.166 1.977 2.349 . 0 0 "[ . 1 . 2]" 1
670 1 50 LEU HA 1 50 LEU HG . . 3.830 2.853 2.532 3.723 . 0 0 "[ . 1 . 2]" 1
671 1 50 LEU HA 1 51 ALA HA . . 5.220 4.775 4.748 4.826 . 0 0 "[ . 1 . 2]" 1
672 1 50 LEU HA 1 53 ALA H . . 3.800 3.279 3.097 3.428 . 0 0 "[ . 1 . 2]" 1
673 1 50 LEU HA 1 53 ALA MB . . 2.850 2.046 1.871 2.170 . 0 0 "[ . 1 . 2]" 1
674 1 50 LEU HA 1 55 ASP H . . 4.330 3.438 3.223 3.724 . 0 0 "[ . 1 . 2]" 1
675 1 50 LEU HA 1 55 ASP HA . . 4.210 3.928 3.650 4.088 . 0 0 "[ . 1 . 2]" 1
676 1 50 LEU HA 1 56 ASP H . . 5.070 3.597 3.230 4.695 . 0 0 "[ . 1 . 2]" 1
677 1 50 LEU HA 1 60 ALA MB . . 2.970 2.385 2.046 2.856 . 0 0 "[ . 1 . 2]" 1
678 1 50 LEU HB2 1 51 ALA H . . 3.580 3.090 2.871 3.196 . 0 0 "[ . 1 . 2]" 1
679 1 50 LEU HB2 1 51 ALA HA . . 5.260 4.744 4.552 4.919 . 0 0 "[ . 1 . 2]" 1
680 1 50 LEU HB2 1 55 ASP HA . . 4.940 4.887 4.569 4.960 0.020 10 0 "[ . 1 . 2]" 1
681 1 50 LEU HB2 1 60 ALA MB . . 4.920 4.111 3.898 4.513 . 0 0 "[ . 1 . 2]" 1
682 1 50 LEU HB3 1 51 ALA H . . 3.950 3.656 3.534 3.805 . 0 0 "[ . 1 . 2]" 1
683 1 50 LEU HB3 1 55 ASP H . . 5.200 3.715 3.289 4.253 . 0 0 "[ . 1 . 2]" 1
684 1 50 LEU HB3 1 55 ASP HA . . 4.000 3.177 2.827 3.270 . 0 0 "[ . 1 . 2]" 1
685 1 50 LEU HB3 1 60 ALA MB . . 4.940 4.285 4.005 4.595 . 0 0 "[ . 1 . 2]" 1
686 1 50 LEU QD 1 51 ALA H . . 5.120 4.245 3.867 4.353 . 0 0 "[ . 1 . 2]" 1
687 1 50 LEU QD 1 55 ASP HA . . 3.210 2.349 1.979 2.882 . 0 0 "[ . 1 . 2]" 1
688 1 50 LEU QD 1 55 ASP QB . . 4.610 4.015 3.822 4.153 . 0 0 "[ . 1 . 2]" 1
689 1 50 LEU QD 1 56 ASP H . . 4.580 3.158 2.865 4.105 . 0 0 "[ . 1 . 2]" 1
690 1 50 LEU QD 1 60 ALA H . . 4.530 3.783 3.480 4.180 . 0 0 "[ . 1 . 2]" 1
691 1 50 LEU QD 1 60 ALA HA . . 4.820 4.188 3.299 4.655 . 0 0 "[ . 1 . 2]" 1
692 1 50 LEU QD 1 60 ALA MB . . 2.880 2.074 1.674 2.476 . 0 0 "[ . 1 . 2]" 1
693 1 50 LEU HG 1 51 ALA H . . 5.210 4.967 4.779 5.227 0.017 15 0 "[ . 1 . 2]" 1
694 1 50 LEU HG 1 55 ASP HA . . 5.380 5.076 4.751 5.399 0.019 14 0 "[ . 1 . 2]" 1
695 1 51 ALA H 1 51 ALA MB . . 2.790 1.984 1.939 2.053 . 0 0 "[ . 1 . 2]" 1
696 1 51 ALA H 1 52 ALA H . . 3.120 2.751 2.660 2.843 . 0 0 "[ . 1 . 2]" 1
697 1 51 ALA H 1 52 ALA MB . . 4.480 4.333 4.265 4.441 . 0 0 "[ . 1 . 2]" 1
698 1 51 ALA HA 1 53 ALA H . . 4.730 3.978 3.680 4.324 . 0 0 "[ . 1 . 2]" 1
699 1 51 ALA HA 1 54 ASP H . . 4.290 3.594 3.348 4.210 . 0 0 "[ . 1 . 2]" 1
700 1 51 ALA HA 1 55 ASP H . . 4.370 3.873 3.441 4.374 0.004 11 0 "[ . 1 . 2]" 1
701 1 51 ALA MB 1 52 ALA H . . 3.090 2.374 2.167 2.520 . 0 0 "[ . 1 . 2]" 1
702 1 51 ALA MB 1 53 ALA H . . 4.140 4.036 3.887 4.155 0.015 5 0 "[ . 1 . 2]" 1
703 1 52 ALA H 1 52 ALA MB . . 2.790 2.102 1.955 2.178 . 0 0 "[ . 1 . 2]" 1
704 1 52 ALA H 1 54 ASP H . . 4.330 4.068 3.840 4.260 . 0 0 "[ . 1 . 2]" 1
705 1 52 ALA H 1 63 ILE MD . . 4.740 3.962 3.542 4.215 . 0 0 "[ . 1 . 2]" 1
706 1 52 ALA HA 1 54 ASP H . . 4.400 3.751 3.231 4.123 . 0 0 "[ . 1 . 2]" 1
707 1 52 ALA HA 1 63 ILE MD . . 4.860 4.686 4.343 4.870 0.010 18 0 "[ . 1 . 2]" 1
708 1 52 ALA MB 1 53 ALA H . . 3.340 3.085 2.817 3.335 . 0 0 "[ . 1 . 2]" 1
709 1 52 ALA MB 1 63 ILE MG . . 3.590 3.549 3.257 3.612 0.022 10 0 "[ . 1 . 2]" 1
710 1 53 ALA H 1 53 ALA MB . . 2.880 2.156 2.064 2.269 . 0 0 "[ . 1 . 2]" 1
711 1 53 ALA H 1 54 ASP H . . 3.680 2.395 2.064 2.530 . 0 0 "[ . 1 . 2]" 1
712 1 53 ALA H 1 54 ASP HA . . 4.670 4.536 4.235 4.690 0.020 13 0 "[ . 1 . 2]" 1
713 1 53 ALA H 1 55 ASP H . . 4.460 3.788 3.202 4.093 . 0 0 "[ . 1 . 2]" 1
714 1 53 ALA H 1 59 VAL MG1 . . 4.700 4.641 4.414 4.712 0.012 19 0 "[ . 1 . 2]" 1
715 1 53 ALA H 1 60 ALA HA . . 5.190 4.753 4.390 5.039 . 0 0 "[ . 1 . 2]" 1
716 1 53 ALA H 1 60 ALA MB . . 4.670 4.356 4.054 4.683 0.013 15 0 "[ . 1 . 2]" 1
717 1 53 ALA H 1 63 ILE MD . . 3.910 3.417 3.182 3.734 . 0 0 "[ . 1 . 2]" 1
718 1 53 ALA HA 1 54 ASP HB3 . . 4.920 4.826 4.460 5.663 0.743 5 1 "[ + 1 . 2]" 1
719 1 53 ALA HA 1 56 ASP HB3 . . 5.180 3.890 3.270 4.538 . 0 0 "[ . 1 . 2]" 1
720 1 53 ALA HA 1 59 VAL HB . . 4.470 3.246 2.827 3.564 . 0 0 "[ . 1 . 2]" 1
721 1 53 ALA HA 1 59 VAL MG1 . . 3.200 2.388 2.189 2.655 . 0 0 "[ . 1 . 2]" 1
722 1 53 ALA HA 1 60 ALA HA . . 4.980 4.614 4.309 5.000 0.020 15 0 "[ . 1 . 2]" 1
723 1 53 ALA HA 1 63 ILE MD . . 3.960 3.043 2.706 3.320 . 0 0 "[ . 1 . 2]" 1
724 1 53 ALA MB 1 54 ASP H . . 3.680 3.063 2.804 3.543 . 0 0 "[ . 1 . 2]" 1
725 1 53 ALA MB 1 55 ASP H . . 3.780 2.916 2.595 3.281 . 0 0 "[ . 1 . 2]" 1
726 1 53 ALA MB 1 55 ASP HA . . 4.000 3.963 3.835 4.021 0.021 18 0 "[ . 1 . 2]" 1
727 1 53 ALA MB 1 56 ASP H . . 3.250 2.121 1.925 2.897 . 0 0 "[ . 1 . 2]" 1
728 1 53 ALA MB 1 56 ASP HA . . 5.140 4.121 3.973 4.345 . 0 0 "[ . 1 . 2]" 1
729 1 53 ALA MB 1 56 ASP HB2 . . 3.910 3.200 2.415 3.815 . 0 0 "[ . 1 . 2]" 1
730 1 53 ALA MB 1 56 ASP HB3 . . 3.550 2.541 1.963 3.183 . 0 0 "[ . 1 . 2]" 1
731 1 53 ALA MB 1 59 VAL H . . 4.330 3.799 3.333 4.061 . 0 0 "[ . 1 . 2]" 1
732 1 53 ALA MB 1 59 VAL HB . . 2.970 2.107 1.973 2.331 . 0 0 "[ . 1 . 2]" 1
733 1 53 ALA MB 1 59 VAL MG1 . . 2.870 2.614 2.353 2.913 0.043 15 0 "[ . 1 . 2]" 1
734 1 53 ALA MB 1 60 ALA H . . 3.410 2.365 2.080 2.708 . 0 0 "[ . 1 . 2]" 1
735 1 53 ALA MB 1 60 ALA HA . . 3.290 2.507 2.312 2.880 . 0 0 "[ . 1 . 2]" 1
736 1 53 ALA MB 1 60 ALA MB . . 3.110 2.276 2.049 2.555 . 0 0 "[ . 1 . 2]" 1
737 1 53 ALA MB 1 63 ILE HB . . 4.890 4.133 3.893 4.456 . 0 0 "[ . 1 . 2]" 1
738 1 53 ALA MB 1 63 ILE MD . . 2.780 2.429 2.249 2.622 . 0 0 "[ . 1 . 2]" 1
739 1 53 ALA MB 1 63 ILE HG13 . . 4.720 4.557 4.323 4.725 0.005 10 0 "[ . 1 . 2]" 1
740 1 54 ASP H 1 54 ASP HA . . 2.690 2.188 2.166 2.210 . 0 0 "[ . 1 . 2]" 1
741 1 54 ASP H 1 54 ASP HB3 . . 3.940 3.881 3.673 4.092 0.152 5 0 "[ . 1 . 2]" 1
742 1 54 ASP H 1 55 ASP H . . 3.930 2.470 2.290 2.861 . 0 0 "[ . 1 . 2]" 1
743 1 54 ASP HA 1 55 ASP H . . 3.260 2.908 2.778 3.027 . 0 0 "[ . 1 . 2]" 1
744 1 54 ASP HA 1 55 ASP QB . . 5.120 3.953 3.781 4.619 . 0 0 "[ . 1 . 2]" 1
745 1 54 ASP HA 1 56 ASP H . . 4.990 4.421 4.133 4.629 . 0 0 "[ . 1 . 2]" 1
746 1 54 ASP HB2 1 55 ASP H . . 4.660 4.526 4.382 4.602 . 0 0 "[ . 1 . 2]" 1
747 1 54 ASP HB2 1 56 ASP H . . 5.030 4.659 4.268 4.942 . 0 0 "[ . 1 . 2]" 1
748 1 54 ASP HB3 1 55 ASP H . . 4.950 4.190 4.050 4.403 . 0 0 "[ . 1 . 2]" 1
749 1 55 ASP H 1 55 ASP HA . . 2.900 2.188 2.167 2.213 . 0 0 "[ . 1 . 2]" 1
750 1 55 ASP H 1 56 ASP H . . 4.150 2.450 2.306 2.671 . 0 0 "[ . 1 . 2]" 1
751 1 55 ASP QB 1 56 ASP H . . 4.970 3.751 3.245 3.948 . 0 0 "[ . 1 . 2]" 1
752 1 56 ASP H 1 56 ASP HB2 . . 3.240 2.467 2.099 2.847 . 0 0 "[ . 1 . 2]" 1
753 1 56 ASP H 1 56 ASP HB3 . . 3.230 2.869 2.493 3.266 0.036 18 0 "[ . 1 . 2]" 1
754 1 56 ASP H 1 59 VAL HB . . 4.670 4.245 3.968 4.600 . 0 0 "[ . 1 . 2]" 1
755 1 56 ASP H 1 59 VAL MG2 . . 5.490 4.742 4.248 5.034 . 0 0 "[ . 1 . 2]" 1
756 1 56 ASP HA 1 57 LEU H . . 2.790 2.286 2.252 2.380 . 0 0 "[ . 1 . 2]" 1
757 1 56 ASP HA 1 57 LEU HA . . 4.790 4.423 4.394 4.481 . 0 0 "[ . 1 . 2]" 1
758 1 56 ASP HA 1 57 LEU QB . . 4.300 4.064 4.034 4.117 . 0 0 "[ . 1 . 2]" 1
759 1 56 ASP HA 1 58 THR H . . 4.540 4.378 3.976 4.558 0.018 11 0 "[ . 1 . 2]" 1
760 1 56 ASP HB2 1 57 LEU H . . 4.640 4.479 4.196 4.660 0.020 19 0 "[ . 1 . 2]" 1
761 1 56 ASP HB2 1 59 VAL H . . 4.570 4.285 4.027 4.509 . 0 0 "[ . 1 . 2]" 1
762 1 56 ASP HB2 1 59 VAL HB . . 3.600 3.344 2.820 3.620 0.020 8 0 "[ . 1 . 2]" 1
763 1 56 ASP HB2 1 59 VAL MG2 . . 3.950 3.094 2.674 3.434 . 0 0 "[ . 1 . 2]" 1
764 1 56 ASP HB3 1 57 LEU H . . 5.110 3.923 3.327 4.421 . 0 0 "[ . 1 . 2]" 1
765 1 56 ASP HB3 1 58 THR H . . 5.280 4.695 4.055 5.285 0.005 4 0 "[ . 1 . 2]" 1
766 1 56 ASP HB3 1 59 VAL H . . 4.070 2.815 2.284 3.409 . 0 0 "[ . 1 . 2]" 1
767 1 56 ASP HB3 1 59 VAL HB . . 3.270 2.050 1.986 2.507 . 0 0 "[ . 1 . 2]" 1
768 1 56 ASP HB3 1 59 VAL MG1 . . 4.100 3.546 3.327 4.007 . 0 0 "[ . 1 . 2]" 1
769 1 56 ASP HB3 1 59 VAL MG2 . . 3.540 2.399 1.931 2.924 . 0 0 "[ . 1 . 2]" 1
770 1 56 ASP HB3 1 60 ALA H . . 5.010 3.215 2.959 3.929 . 0 0 "[ . 1 . 2]" 1
771 1 57 LEU H 1 57 LEU QB . . 2.950 2.166 1.965 2.285 . 0 0 "[ . 1 . 2]" 1
772 1 57 LEU H 1 58 THR H . . 3.460 2.641 2.406 2.902 . 0 0 "[ . 1 . 2]" 1
773 1 57 LEU HA 1 57 LEU QD . . 3.480 1.972 1.845 2.551 . 0 0 "[ . 1 . 2]" 1
774 1 57 LEU HA 1 57 LEU HG . . 4.080 3.144 2.263 3.456 . 0 0 "[ . 1 . 2]" 1
775 1 57 LEU HA 1 59 VAL H . . 4.620 4.219 3.846 4.634 0.014 15 0 "[ . 1 . 2]" 1
776 1 57 LEU HA 1 60 ALA H . . 3.880 3.207 2.743 3.482 . 0 0 "[ . 1 . 2]" 1
777 1 57 LEU HA 1 60 ALA MB . . 2.630 2.078 1.953 2.283 . 0 0 "[ . 1 . 2]" 1
778 1 57 LEU HA 1 61 VAL QG . . 4.410 3.733 3.082 4.379 . 0 0 "[ . 1 . 2]" 1
779 1 57 LEU QB 1 58 THR H . . 3.470 2.326 2.177 2.679 . 0 0 "[ . 1 . 2]" 1
780 1 57 LEU QB 1 58 THR HA . . 4.510 3.944 3.706 4.108 . 0 0 "[ . 1 . 2]" 1
781 1 57 LEU QB 1 59 VAL H . . 5.230 4.583 4.336 4.887 . 0 0 "[ . 1 . 2]" 1
782 1 57 LEU QB 1 60 ALA MB . . 4.720 3.953 3.680 4.054 . 0 0 "[ . 1 . 2]" 1
783 1 57 LEU QB 1 61 VAL QG . . 4.490 3.842 2.897 4.397 . 0 0 "[ . 1 . 2]" 1
784 1 57 LEU QD 1 58 THR H . . 4.700 3.797 3.707 3.998 . 0 0 "[ . 1 . 2]" 1
785 1 57 LEU QD 1 58 THR HA . . 4.720 4.151 3.955 4.458 . 0 0 "[ . 1 . 2]" 1
786 1 57 LEU QD 1 60 ALA H . . 5.050 4.058 3.690 4.716 . 0 0 "[ . 1 . 2]" 1
787 1 57 LEU QD 1 61 VAL H . . 4.510 2.828 2.448 3.712 . 0 0 "[ . 1 . 2]" 1
788 1 57 LEU HG 1 58 THR H . . 5.090 4.099 3.653 5.078 . 0 0 "[ . 1 . 2]" 1
789 1 57 LEU HG 1 61 VAL QG . . 4.200 3.512 2.684 4.246 0.046 6 0 "[ . 1 . 2]" 1
790 1 58 THR H 1 58 THR HB . . 3.110 2.302 2.113 2.474 . 0 0 "[ . 1 . 2]" 1
791 1 58 THR H 1 58 THR MG . . 3.780 3.672 3.602 3.692 . 0 0 "[ . 1 . 2]" 1
792 1 58 THR H 1 59 VAL H . . 3.190 2.986 2.834 3.180 . 0 0 "[ . 1 . 2]" 1
793 1 58 THR H 1 59 VAL MG2 . . 4.420 4.165 3.822 4.424 0.004 20 0 "[ . 1 . 2]" 1
794 1 58 THR H 1 60 ALA H . . 4.660 4.431 3.974 4.622 . 0 0 "[ . 1 . 2]" 1
795 1 58 THR HA 1 58 THR MG . . 3.240 2.564 2.444 2.793 . 0 0 "[ . 1 . 2]" 1
796 1 58 THR HA 1 60 ALA H . . 4.960 4.869 4.215 5.003 0.043 15 0 "[ . 1 . 2]" 1
797 1 58 THR HA 1 61 VAL H . . 4.160 3.957 3.747 4.096 . 0 0 "[ . 1 . 2]" 1
798 1 58 THR HA 1 61 VAL HB . . 3.930 3.442 3.105 3.971 0.041 10 0 "[ . 1 . 2]" 1
799 1 58 THR HA 1 61 VAL QG . . 3.950 2.679 1.995 3.199 . 0 0 "[ . 1 . 2]" 1
800 1 58 THR HA 1 62 GLU H . . 4.970 4.620 4.518 4.726 . 0 0 "[ . 1 . 2]" 1
801 1 58 THR HB 1 59 VAL H . . 3.330 2.805 2.505 3.109 . 0 0 "[ . 1 . 2]" 1
802 1 58 THR HB 1 59 VAL HA . . 5.120 4.693 4.473 4.937 . 0 0 "[ . 1 . 2]" 1
803 1 58 THR HB 1 59 VAL MG2 . . 3.950 3.087 2.952 3.441 . 0 0 "[ . 1 . 2]" 1
804 1 58 THR MG 1 59 VAL H . . 4.150 3.335 2.340 3.636 . 0 0 "[ . 1 . 2]" 1
805 1 58 THR MG 1 59 VAL HA . . 4.360 3.460 2.810 3.647 . 0 0 "[ . 1 . 2]" 1
806 1 58 THR MG 1 62 GLU H . . 4.700 4.688 4.376 4.809 0.109 10 0 "[ . 1 . 2]" 1
807 1 58 THR MG 1 62 GLU HG2 . . 5.000 3.807 3.607 4.682 . 0 0 "[ . 1 . 2]" 1
808 1 58 THR MG 1 62 GLU HG3 . . 4.680 4.001 3.701 5.186 0.506 15 1 "[ . 1 + 2]" 1
809 1 59 VAL H 1 59 VAL HB . . 3.160 2.480 2.396 2.650 . 0 0 "[ . 1 . 2]" 1
810 1 59 VAL H 1 59 VAL MG1 . . 4.000 3.720 3.677 3.749 . 0 0 "[ . 1 . 2]" 1
811 1 59 VAL H 1 59 VAL MG2 . . 2.980 1.974 1.895 2.118 . 0 0 "[ . 1 . 2]" 1
812 1 59 VAL H 1 60 ALA H . . 3.320 2.561 2.248 2.879 . 0 0 "[ . 1 . 2]" 1
813 1 59 VAL H 1 60 ALA MB . . 4.630 4.065 3.847 4.322 . 0 0 "[ . 1 . 2]" 1
814 1 59 VAL H 1 61 VAL QG . . 4.910 4.413 3.558 4.786 . 0 0 "[ . 1 . 2]" 1
815 1 59 VAL HA 1 59 VAL MG1 . . 3.080 2.262 2.190 2.328 . 0 0 "[ . 1 . 2]" 1
816 1 59 VAL HA 1 59 VAL MG2 . . 2.760 2.476 2.421 2.542 . 0 0 "[ . 1 . 2]" 1
817 1 59 VAL HA 1 61 VAL H . . 4.650 4.637 4.264 4.715 0.065 11 0 "[ . 1 . 2]" 1
818 1 59 VAL HA 1 62 GLU H . . 3.770 3.434 3.147 3.535 . 0 0 "[ . 1 . 2]" 1
819 1 59 VAL HA 1 62 GLU HB2 . . 3.670 3.055 2.883 4.379 0.709 15 1 "[ . 1 + 2]" 1
820 1 59 VAL HA 1 62 GLU HG2 . . 3.430 3.305 2.714 3.431 0.001 18 0 "[ . 1 . 2]" 1
821 1 59 VAL HA 1 62 GLU HG3 . . 4.240 3.057 2.803 3.438 . 0 0 "[ . 1 . 2]" 1
822 1 59 VAL HA 1 63 ILE H . . 4.690 4.541 3.968 4.703 0.013 11 0 "[ . 1 . 2]" 1
823 1 59 VAL HA 1 63 ILE MD . . 4.980 4.628 3.583 4.877 . 0 0 "[ . 1 . 2]" 1
824 1 59 VAL HB 1 60 ALA H . . 3.560 2.464 2.261 3.039 . 0 0 "[ . 1 . 2]" 1
825 1 59 VAL HB 1 60 ALA HA . . 4.840 4.141 3.977 4.296 . 0 0 "[ . 1 . 2]" 1
826 1 59 VAL HB 1 60 ALA MB . . 4.810 3.967 3.895 4.090 . 0 0 "[ . 1 . 2]" 1
827 1 59 VAL MG1 1 60 ALA H . . 4.010 3.535 3.317 3.972 . 0 0 "[ . 1 . 2]" 1
828 1 59 VAL MG1 1 60 ALA HA . . 4.030 3.800 3.574 4.040 0.010 10 0 "[ . 1 . 2]" 1
829 1 59 VAL MG1 1 62 GLU H . . 4.640 4.475 4.228 4.617 . 0 0 "[ . 1 . 2]" 1
830 1 59 VAL MG1 1 62 GLU HB3 . . 4.480 4.471 3.892 4.545 0.065 10 0 "[ . 1 . 2]" 1
831 1 59 VAL MG1 1 62 GLU HG2 . . 4.740 4.599 2.348 4.757 0.017 10 0 "[ . 1 . 2]" 1
832 1 59 VAL MG1 1 62 GLU HG3 . . 4.670 4.023 2.370 4.319 . 0 0 "[ . 1 . 2]" 1
833 1 59 VAL MG1 1 63 ILE H . . 4.380 4.130 3.578 4.386 0.006 11 0 "[ . 1 . 2]" 1
834 1 59 VAL MG2 1 60 ALA H . . 3.900 3.699 3.504 3.852 . 0 0 "[ . 1 . 2]" 1
835 1 60 ALA H 1 60 ALA MB . . 3.040 2.120 1.948 2.179 . 0 0 "[ . 1 . 2]" 1
836 1 60 ALA H 1 61 VAL H . . 3.490 2.993 2.619 3.077 . 0 0 "[ . 1 . 2]" 1
837 1 60 ALA H 1 61 VAL QG . . 4.360 4.083 3.375 4.299 . 0 0 "[ . 1 . 2]" 1
838 1 60 ALA H 1 63 ILE MD . . 4.910 3.893 2.946 4.209 . 0 0 "[ . 1 . 2]" 1
839 1 60 ALA HA 1 62 GLU H . . 4.850 4.494 4.154 4.707 . 0 0 "[ . 1 . 2]" 1
840 1 60 ALA HA 1 63 ILE H . . 3.650 3.196 3.043 3.321 . 0 0 "[ . 1 . 2]" 1
841 1 60 ALA HA 1 63 ILE HB . . 3.240 2.479 2.305 2.780 . 0 0 "[ . 1 . 2]" 1
842 1 60 ALA HA 1 63 ILE MD . . 3.250 2.155 2.096 2.201 . 0 0 "[ . 1 . 2]" 1
843 1 60 ALA HA 1 63 ILE HG12 . . 4.850 4.730 4.563 4.873 0.023 10 0 "[ . 1 . 2]" 1
844 1 60 ALA HA 1 63 ILE HG13 . . 4.470 3.775 3.409 3.989 . 0 0 "[ . 1 . 2]" 1
845 1 60 ALA MB 1 61 VAL H . . 3.280 2.351 2.216 2.507 . 0 0 "[ . 1 . 2]" 1
846 1 60 ALA MB 1 61 VAL HA . . 4.550 3.742 3.608 3.798 . 0 0 "[ . 1 . 2]" 1
847 1 60 ALA MB 1 61 VAL HB . . 4.490 4.372 4.071 4.533 0.043 15 0 "[ . 1 . 2]" 1
848 1 60 ALA MB 1 62 GLU H . . 4.790 4.548 4.350 4.660 . 0 0 "[ . 1 . 2]" 1
849 1 60 ALA MB 1 63 ILE H . . 4.330 4.331 4.256 4.456 0.126 15 0 "[ . 1 . 2]" 1
850 1 60 ALA MB 1 63 ILE HB . . 4.680 3.819 3.754 3.901 . 0 0 "[ . 1 . 2]" 1
851 1 60 ALA MB 1 63 ILE MD . . 3.840 3.518 3.372 3.579 . 0 0 "[ . 1 . 2]" 1
852 1 60 ALA MB 1 64 LEU HG . . 3.970 3.637 3.443 3.834 . 0 0 "[ . 1 . 2]" 1
853 1 61 VAL H 1 61 VAL HB . . 2.990 2.454 2.372 2.539 . 0 0 "[ . 1 . 2]" 1
854 1 61 VAL H 1 61 VAL QG . . 2.960 1.944 1.891 2.054 . 0 0 "[ . 1 . 2]" 1
855 1 61 VAL H 1 62 GLU H . . 3.240 3.012 2.868 3.118 . 0 0 "[ . 1 . 2]" 1
856 1 61 VAL H 1 63 ILE MD . . 5.250 5.201 4.553 5.273 0.023 17 0 "[ . 1 . 2]" 1
857 1 61 VAL H 1 64 LEU HG . . 4.860 4.865 4.765 4.913 0.053 8 0 "[ . 1 . 2]" 1
858 1 61 VAL HA 1 61 VAL QG . . 3.210 2.232 2.125 2.414 . 0 0 "[ . 1 . 2]" 1
859 1 61 VAL HA 1 64 LEU H . . 3.700 3.307 3.198 3.450 . 0 0 "[ . 1 . 2]" 1
860 1 61 VAL HA 1 64 LEU HB2 . . 3.230 2.412 2.316 2.577 . 0 0 "[ . 1 . 2]" 1
861 1 61 VAL HA 1 64 LEU HB3 . . 4.260 4.028 3.937 4.178 . 0 0 "[ . 1 . 2]" 1
862 1 61 VAL HA 1 64 LEU QD . . 4.900 3.461 3.188 3.763 . 0 0 "[ . 1 . 2]" 1
863 1 61 VAL HA 1 64 LEU HG . . 3.230 3.259 3.233 3.321 0.091 20 0 "[ . 1 . 2]" 1
864 1 61 VAL HA 1 65 MET H . . 4.430 3.847 3.705 4.072 . 0 0 "[ . 1 . 2]" 1
865 1 61 VAL HA 1 65 MET HG3 . . 5.160 4.547 4.058 5.102 . 0 0 "[ . 1 . 2]" 1
866 1 61 VAL QG 1 62 GLU H . . 3.830 2.708 1.907 3.148 . 0 0 "[ . 1 . 2]" 1
867 1 61 VAL QG 1 62 GLU HA . . 4.150 3.203 3.010 3.407 . 0 0 "[ . 1 . 2]" 1
868 1 61 VAL QG 1 64 LEU H . . 4.850 4.270 4.203 4.380 . 0 0 "[ . 1 . 2]" 1
869 1 61 VAL QG 1 65 MET H . . 4.570 3.643 3.445 3.948 . 0 0 "[ . 1 . 2]" 1
870 1 61 VAL QG 1 65 MET HG2 . . 3.610 3.106 2.271 3.593 . 0 0 "[ . 1 . 2]" 1
871 1 61 VAL QG 1 65 MET HG3 . . 3.480 2.422 1.976 2.834 . 0 0 "[ . 1 . 2]" 1
872 1 62 GLU H 1 62 GLU HB2 . . 3.160 2.535 2.370 3.436 0.276 15 0 "[ . 1 . 2]" 1
873 1 62 GLU H 1 62 GLU HB3 . . 3.470 3.479 2.134 3.561 0.091 11 0 "[ . 1 . 2]" 1
874 1 62 GLU H 1 62 GLU HG2 . . 3.190 2.133 1.946 3.748 0.558 15 1 "[ . 1 + 2]" 1
875 1 62 GLU H 1 62 GLU HG3 . . 3.630 3.352 2.905 3.624 . 0 0 "[ . 1 . 2]" 1
876 1 62 GLU H 1 63 ILE H . . 3.350 2.799 2.626 2.922 . 0 0 "[ . 1 . 2]" 1
877 1 62 GLU H 1 63 ILE HB . . 5.340 4.823 4.631 5.102 . 0 0 "[ . 1 . 2]" 1
878 1 62 GLU H 1 63 ILE MD . . 5.160 5.047 4.506 5.169 0.009 18 0 "[ . 1 . 2]" 1
879 1 62 GLU HA 1 62 GLU HG2 . . 3.760 2.911 2.753 4.259 0.499 15 0 "[ . 1 . 2]" 1
880 1 62 GLU HA 1 62 GLU HG3 . . 3.970 3.736 3.678 3.759 . 0 0 "[ . 1 . 2]" 1
881 1 62 GLU HA 1 65 MET H . . 4.120 3.531 3.437 3.643 . 0 0 "[ . 1 . 2]" 1
882 1 62 GLU HA 1 65 MET HG2 . . 4.880 4.404 3.622 4.888 0.008 10 0 "[ . 1 . 2]" 1
883 1 62 GLU HA 1 65 MET HG3 . . 4.700 3.061 2.576 3.523 . 0 0 "[ . 1 . 2]" 1
884 1 62 GLU HA 1 66 SER H . . 4.670 4.324 4.014 4.688 0.018 7 0 "[ . 1 . 2]" 1
885 1 62 GLU HB2 1 62 GLU HG2 . . 2.990 2.583 2.498 2.645 . 0 0 "[ . 1 . 2]" 1
886 1 62 GLU HB2 1 63 ILE H . . 3.860 2.800 2.635 4.146 0.286 15 0 "[ . 1 . 2]" 1
887 1 62 GLU HB2 1 63 ILE MD . . 5.050 4.468 4.238 5.716 0.666 15 1 "[ . 1 + 2]" 1
888 1 62 GLU HB2 1 63 ILE HG13 . . 4.590 3.407 3.090 4.814 0.224 15 0 "[ . 1 . 2]" 1
889 1 62 GLU HB3 1 63 ILE H . . 3.780 3.729 3.549 3.783 0.003 6 0 "[ . 1 . 2]" 1
890 1 62 GLU HB3 1 63 ILE HG13 . . 4.750 4.251 4.054 4.601 . 0 0 "[ . 1 . 2]" 1
891 1 62 GLU HG2 1 63 ILE H . . 4.780 4.350 3.678 4.459 . 0 0 "[ . 1 . 2]" 1
892 1 62 GLU HG3 1 63 ILE H . . 4.970 4.814 1.947 5.015 0.045 10 0 "[ . 1 . 2]" 1
893 1 63 ILE H 1 63 ILE HB . . 3.010 2.252 2.218 2.377 . 0 0 "[ . 1 . 2]" 1
894 1 63 ILE H 1 63 ILE MD . . 3.670 3.279 2.993 3.334 . 0 0 "[ . 1 . 2]" 1
895 1 63 ILE H 1 63 ILE HG12 . . 3.810 3.795 3.557 3.831 0.021 4 0 "[ . 1 . 2]" 1
896 1 63 ILE H 1 63 ILE HG13 . . 3.120 2.451 2.173 2.502 . 0 0 "[ . 1 . 2]" 1
897 1 63 ILE HA 1 63 ILE HG12 . . 3.120 2.628 2.592 2.812 . 0 0 "[ . 1 . 2]" 1
898 1 63 ILE HA 1 63 ILE HG13 . . 3.320 2.625 2.529 2.837 . 0 0 "[ . 1 . 2]" 1
899 1 63 ILE HA 1 63 ILE MG . . 3.080 2.542 2.454 2.587 . 0 0 "[ . 1 . 2]" 1
900 1 63 ILE HA 1 65 MET H . . 5.160 4.417 4.274 4.492 . 0 0 "[ . 1 . 2]" 1
901 1 63 ILE HA 1 66 SER H . . 4.180 3.394 3.096 3.558 . 0 0 "[ . 1 . 2]" 1
902 1 63 ILE HA 1 66 SER QB . . 3.750 3.140 2.384 3.790 0.040 10 0 "[ . 1 . 2]" 1
903 1 63 ILE HB 1 63 ILE MD . . 3.010 2.226 2.117 2.301 . 0 0 "[ . 1 . 2]" 1
904 1 63 ILE HB 1 64 LEU H . . 3.350 2.643 2.486 2.707 . 0 0 "[ . 1 . 2]" 1
905 1 63 ILE HB 1 64 LEU HA . . 5.140 4.500 4.316 4.561 . 0 0 "[ . 1 . 2]" 1
906 1 63 ILE HB 1 64 LEU QD . . 4.920 2.598 2.454 2.696 . 0 0 "[ . 1 . 2]" 1
907 1 63 ILE HG12 1 63 ILE MG . . 2.990 2.323 2.229 2.382 . 0 0 "[ . 1 . 2]" 1
908 1 63 ILE MG 1 64 LEU H . . 3.520 3.110 3.024 3.343 . 0 0 "[ . 1 . 2]" 1
909 1 63 ILE MG 1 64 LEU HA . . 3.830 3.201 3.110 3.522 . 0 0 "[ . 1 . 2]" 1
910 1 63 ILE MG 1 65 MET H . . 4.870 4.885 4.787 4.932 0.062 11 0 "[ . 1 . 2]" 1
911 1 63 ILE MG 1 66 SER QB . . 5.140 4.216 3.315 5.094 . 0 0 "[ . 1 . 2]" 1
912 1 63 ILE MG 1 67 GLN H . . 4.690 4.181 3.416 4.732 0.042 7 0 "[ . 1 . 2]" 1
913 1 63 ILE MG 1 67 GLN HE21 . . 4.450 3.161 1.919 4.807 0.357 10 0 "[ . 1 . 2]" 1
914 1 63 ILE MG 1 67 GLN HG2 . . 5.000 3.459 1.948 4.777 . 0 0 "[ . 1 . 2]" 1
915 1 63 ILE MG 1 67 GLN HG3 . . 4.630 3.150 1.965 4.615 . 0 0 "[ . 1 . 2]" 1
916 1 64 LEU H 1 64 LEU HB2 . . 3.170 2.293 2.268 2.340 . 0 0 "[ . 1 . 2]" 1
917 1 64 LEU H 1 64 LEU HB3 . . 3.560 3.506 3.499 3.518 . 0 0 "[ . 1 . 2]" 1
918 1 64 LEU H 1 64 LEU QD . . 3.150 1.897 1.818 1.961 . 0 0 "[ . 1 . 2]" 1
919 1 64 LEU H 1 64 LEU HG . . 3.350 3.360 3.236 3.421 0.071 11 0 "[ . 1 . 2]" 1
920 1 64 LEU H 1 65 MET H . . 3.340 2.782 2.727 2.850 . 0 0 "[ . 1 . 2]" 1
921 1 64 LEU H 1 65 MET HA . . 5.200 5.272 5.228 5.323 0.123 7 0 "[ . 1 . 2]" 1
922 1 64 LEU H 1 66 SER H . . 4.530 4.323 3.829 4.535 0.005 3 0 "[ . 1 . 2]" 1
923 1 64 LEU HA 1 64 LEU QD . . 2.810 1.929 1.903 1.992 . 0 0 "[ . 1 . 2]" 1
924 1 64 LEU HA 1 64 LEU HG . . 3.750 3.710 3.658 3.737 . 0 0 "[ . 1 . 2]" 1
925 1 64 LEU HA 1 65 MET HA . . 5.160 4.793 4.694 4.842 . 0 0 "[ . 1 . 2]" 1
926 1 64 LEU HA 1 66 SER H . . 4.880 4.473 3.793 4.796 . 0 0 "[ . 1 . 2]" 1
927 1 64 LEU HA 1 67 GLN H . . 4.450 3.764 3.287 4.511 0.061 10 0 "[ . 1 . 2]" 1
928 1 64 LEU HA 1 67 GLN HB2 . . 5.140 3.019 2.184 4.500 . 0 0 "[ . 1 . 2]" 1
929 1 64 LEU HA 1 67 GLN HB3 . . 4.320 4.067 2.285 5.134 0.814 11 2 "[ . 1+ - . 2]" 1
930 1 64 LEU HA 1 67 GLN HE21 . . 5.030 3.503 2.205 5.038 0.008 8 0 "[ . 1 . 2]" 1
931 1 64 LEU HA 1 67 GLN HG2 . . 4.790 3.845 1.988 4.810 0.020 19 0 "[ . 1 . 2]" 1
932 1 64 LEU HA 1 67 GLN HG3 . . 4.820 3.334 2.012 4.802 . 0 0 "[ . 1 . 2]" 1
933 1 64 LEU HB2 1 65 MET H . . 3.620 2.729 2.699 2.796 . 0 0 "[ . 1 . 2]" 1
934 1 64 LEU HB2 1 65 MET HA . . 5.110 4.473 4.420 4.545 . 0 0 "[ . 1 . 2]" 1
935 1 64 LEU HB3 1 65 MET H . . 4.080 3.520 3.482 3.648 . 0 0 "[ . 1 . 2]" 1
936 1 64 LEU HB3 1 65 MET HA . . 4.910 4.240 4.204 4.334 . 0 0 "[ . 1 . 2]" 1
937 1 64 LEU QD 1 65 MET H . . 5.150 3.890 3.844 3.936 . 0 0 "[ . 1 . 2]" 1
938 1 64 LEU QD 1 67 GLN HE22 . . 5.170 3.268 1.908 4.744 . 0 0 "[ . 1 . 2]" 1
939 1 64 LEU HG 1 65 MET H . . 4.860 4.918 4.891 4.989 0.129 10 0 "[ . 1 . 2]" 1
940 1 65 MET H 1 65 MET QB . . 3.230 2.227 2.085 2.370 . 0 0 "[ . 1 . 2]" 1
941 1 65 MET H 1 65 MET HG2 . . 3.680 2.775 2.177 3.212 . 0 0 "[ . 1 . 2]" 1
942 1 65 MET H 1 65 MET HG3 . . 3.850 3.019 2.568 3.521 . 0 0 "[ . 1 . 2]" 1
943 1 65 MET H 1 66 SER H . . 3.260 2.839 2.557 2.982 . 0 0 "[ . 1 . 2]" 1
944 1 65 MET H 1 66 SER QB . . 5.060 4.666 4.415 5.064 0.004 4 0 "[ . 1 . 2]" 1
945 1 65 MET HA 1 65 MET HG2 . . 3.560 2.297 2.076 2.838 . 0 0 "[ . 1 . 2]" 1
946 1 65 MET HA 1 65 MET HG3 . . 3.950 3.525 3.256 3.744 . 0 0 "[ . 1 . 2]" 1
947 1 65 MET QB 1 66 SER H . . 3.800 2.531 2.270 3.135 . 0 0 "[ . 1 . 2]" 1
948 1 65 MET QB 1 66 SER HA . . 5.030 3.871 3.659 4.462 . 0 0 "[ . 1 . 2]" 1
949 1 65 MET QB 1 66 SER QB . . 4.850 3.803 3.278 4.229 . 0 0 "[ . 1 . 2]" 1
950 1 66 SER H 1 66 SER QB . . 3.170 2.279 2.000 2.937 . 0 0 "[ . 1 . 2]" 1
951 1 66 SER HA 1 66 SER QB . . 2.790 2.445 2.199 2.567 . 0 0 "[ . 1 . 2]" 1
952 1 66 SER QB 1 67 GLN H . . 4.140 3.052 1.935 4.093 . 0 0 "[ . 1 . 2]" 1
953 1 67 GLN H 1 67 GLN HB2 . . 3.930 2.617 2.035 3.757 . 0 0 "[ . 1 . 2]" 1
954 1 67 GLN H 1 67 GLN HB3 . . 3.490 3.442 2.776 3.956 0.466 11 0 "[ . 1 . 2]" 1
955 1 67 GLN H 1 67 GLN HG2 . . 4.180 3.232 1.919 4.249 0.069 11 0 "[ . 1 . 2]" 1
956 1 67 GLN H 1 67 GLN HG3 . . 3.970 3.026 2.022 4.322 0.352 7 0 "[ . 1 . 2]" 1
957 1 67 GLN H 1 68 SER H . . 3.830 2.883 1.888 3.898 0.068 7 0 "[ . 1 . 2]" 1
958 1 67 GLN HA 1 67 GLN HG2 . . 3.580 2.741 1.994 3.770 0.190 7 0 "[ . 1 . 2]" 1
959 1 67 GLN HA 1 67 GLN HG3 . . 3.900 3.121 2.169 3.877 . 0 0 "[ . 1 . 2]" 1
960 1 67 GLN HA 1 68 SER H . . 3.630 3.472 2.210 3.645 0.015 14 0 "[ . 1 . 2]" 1
961 1 67 GLN HB2 1 67 GLN HG2 . . 2.970 2.882 2.427 3.040 0.070 10 0 "[ . 1 . 2]" 1
962 1 67 GLN HB2 1 68 SER H . . 4.530 2.934 2.302 4.464 . 0 0 "[ . 1 . 2]" 1
963 1 67 GLN HB3 1 68 SER H . . 4.450 3.447 2.433 4.640 0.190 7 0 "[ . 1 . 2]" 1
964 1 67 GLN HB3 1 68 SER QB . . 5.150 4.267 3.146 5.310 0.160 14 0 "[ . 1 . 2]" 1
965 1 68 SER H 1 68 SER QB . . 3.640 2.741 2.048 3.236 . 0 0 "[ . 1 . 2]" 1
966 1 68 SER QB 1 69 GLY H . . 4.400 3.207 1.997 4.052 . 0 0 "[ . 1 . 2]" 1
967 1 69 GLY HA2 1 70 PRO QD . . 3.300 2.211 1.909 3.343 0.043 18 0 "[ . 1 . 2]" 1
968 1 69 GLY HA3 1 70 PRO QD . . 3.310 2.577 1.910 3.325 0.015 14 0 "[ . 1 . 2]" 1
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