NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
397893 |
1t2m   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1t2m
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 1258
_Distance_constraint_stats_list.Viol_count 1279
_Distance_constraint_stats_list.Viol_total 6635.151
_Distance_constraint_stats_list.Viol_max 4.026
_Distance_constraint_stats_list.Viol_rms 0.1302
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0132
_Distance_constraint_stats_list.Viol_average_violations_only 0.2594
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 0.008 0.008 13 0 "[ . 1 . 2]"
1 3 GLU 0.197 0.030 4 0 "[ . 1 . 2]"
1 4 PRO 0.079 0.028 5 0 "[ . 1 . 2]"
1 5 GLU 0.683 0.067 11 0 "[ . 1 . 2]"
1 6 ILE 9.729 0.865 7 9 "[ * *. +**1** *. - 2]"
1 7 ILE 15.961 0.865 7 9 "[ * *. +**1** *. - 2]"
1 8 THR 0.675 0.063 1 0 "[ . 1 . 2]"
1 9 VAL 0.179 0.036 1 0 "[ . 1 . 2]"
1 10 THR 2.668 0.475 7 0 "[ . 1 . 2]"
1 11 LEU 30.474 2.497 16 17 "[**-*. * *******+****]"
1 12 LYS 5.983 0.945 7 7 "[ -*. + *1 ** *]"
1 13 LYS 15.363 1.814 13 8 "[** . * * + .**- 2]"
1 14 GLN 2.227 0.458 3 0 "[ . 1 . 2]"
1 15 ASN 0.031 0.029 5 0 "[ . 1 . 2]"
1 16 GLY 4.481 0.508 20 1 "[ . 1 . +]"
1 17 MET 43.157 2.497 16 19 [***-.**********+****]
1 18 GLY 3.750 0.529 13 2 "[ . 1 + . -]"
1 19 LEU 0.597 0.597 13 1 "[ . 1 + . 2]"
1 20 SER 8.936 1.714 13 7 "[ .* * 1 -+ . ** *]"
1 21 ILE 4.667 1.026 10 5 "[ * + - . * *2]"
1 22 VAL 1.867 0.507 16 1 "[ . 1 .+ 2]"
1 23 ALA 8.499 0.440 15 0 "[ . 1 . 2]"
1 24 ALA 0.115 0.029 6 0 "[ . 1 . 2]"
1 25 LYS 8.534 0.440 15 0 "[ . 1 . 2]"
1 26 GLY 4.210 0.157 17 0 "[ . 1 . 2]"
1 27 ALA 5.974 0.171 4 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 7.121 0.227 9 0 "[ . 1 . 2]"
1 30 ASP 2.172 0.227 9 0 "[ . 1 . 2]"
1 31 LYS 1.401 0.131 14 0 "[ . 1 . 2]"
1 32 LEU 0.963 0.069 15 0 "[ . 1 . 2]"
1 33 GLY 0.370 0.039 14 0 "[ . 1 . 2]"
1 34 ILE 0.055 0.053 19 0 "[ . 1 . 2]"
1 35 TYR 1.859 0.069 10 0 "[ . 1 . 2]"
1 36 VAL 7.791 0.526 10 5 "[ *. + -.* *]"
1 37 LYS 8.662 1.714 13 7 "[ .* * 1 -+ . ** *]"
1 38 SER 6.164 0.986 8 2 "[ . + 1 - . 2]"
1 39 VAL 1.010 0.515 8 1 "[ . + 1 . 2]"
1 40 VAL 3.465 0.597 13 1 "[ . 1 + . 2]"
1 41 LYS 0.645 0.446 13 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 1.498 0.451 20 0 "[ . 1 . 2]"
1 44 ALA 4.136 0.926 17 2 "[ . -1 . + 2]"
1 45 ALA 7.994 1.016 20 7 "[ *-. 1* **. *+]"
1 46 ASP 0.285 0.179 8 0 "[ . 1 . 2]"
1 47 VAL 0.065 0.022 13 0 "[ . 1 . 2]"
1 48 ASP 0.012 0.012 19 0 "[ . 1 . 2]"
1 49 GLY 0.285 0.179 8 0 "[ . 1 . 2]"
1 50 ARG 7.401 0.520 4 1 "[ +. 1 . 2]"
1 51 LEU 0.859 0.474 16 0 "[ . 1 . 2]"
1 52 ALA 67.779 3.803 10 20 [*********+*-********]
1 53 ALA 12.575 0.986 8 7 "[ *. + * *-.* *]"
1 54 GLY 0.231 0.231 19 0 "[ . 1 . 2]"
1 55 ASP 21.219 1.047 8 17 "[ ***.**+***-*******2]"
1 56 GLN 12.802 0.977 10 12 "[*- **** +* * * * *2]"
1 57 LEU 0.261 0.041 3 0 "[ . 1 . 2]"
1 58 LEU 14.255 1.204 18 13 "[* **. ***** * *-*+ 2]"
1 59 SER 20.306 1.043 13 16 "[*-* * * ****+*** ***]"
1 60 VAL 1.259 0.521 7 1 "[ . + 1 . 2]"
1 61 ASP 0.768 0.279 19 0 "[ . 1 . 2]"
1 62 GLY 10.247 1.043 13 11 "[ * * * *1**+ * **-]"
1 63 ARG 8.874 0.529 14 5 "[*- . * * +. 2]"
1 64 SER 3.165 0.568 16 1 "[ . 1 .+ 2]"
1 65 LEU 52.066 4.026 15 20 [*-************+*****]
1 66 VAL 12.820 0.977 10 12 "[*- **** +* * * * *2]"
1 67 GLY 4.739 0.503 17 1 "[ . 1 . + 2]"
1 68 LEU 5.034 0.503 17 1 "[ . 1 . + 2]"
1 69 SER 0.013 0.006 7 0 "[ . 1 . 2]"
1 70 GLN 1.215 0.507 16 1 "[ . 1 .+ 2]"
1 71 GLU 0.244 0.044 15 0 "[ . 1 . 2]"
1 72 ARG 0.490 0.065 7 0 "[ . 1 . 2]"
1 73 ALA 0.123 0.030 2 0 "[ . 1 . 2]"
1 74 ALA 0.030 0.009 7 0 "[ . 1 . 2]"
1 75 GLU 0.806 0.434 20 0 "[ . 1 . 2]"
1 76 LEU 0.073 0.031 14 0 "[ . 1 . 2]"
1 77 MET 52.793 4.026 15 20 [************-*+*****]
1 78 THR 1.244 0.434 20 0 "[ . 1 . 2]"
1 79 ARG 0.810 0.236 20 0 "[ . 1 . 2]"
1 80 THR 1.175 0.583 12 1 "[ . 1 + . 2]"
1 81 SER 6.955 1.814 13 6 "[* . * 1 + .**- 2]"
1 82 SER 2.560 0.442 7 0 "[ . 1 . 2]"
1 83 VAL 4.130 0.532 4 1 "[ +. 1 . 2]"
1 84 VAL 13.327 0.928 10 11 "[ **-.* * + ***. * *2]"
1 85 THR 1.016 0.279 19 0 "[ . 1 . 2]"
1 86 LEU 0.404 0.051 14 0 "[ . 1 . 2]"
1 87 GLU 2.405 0.371 16 0 "[ . 1 . 2]"
1 88 VAL 12.766 1.204 18 13 "[* **. ***** * *-*+ 2]"
1 89 ALA 0.459 0.063 14 0 "[ . 1 . 2]"
1 90 LYS 0.093 0.035 16 0 "[ . 1 . 2]"
1 91 GLN 61.139 3.803 10 20 [*********+*******-**]
1 92 GLY 1.670 0.075 12 0 "[ . 1 . 2]"
1 93 ALA 1.797 0.075 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET HA 1 1 MET QG 0.000 . 4.000 2.603 2.109 3.357 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 2 LYS QD 0.000 . 4.000 3.420 2.466 4.008 0.008 13 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 2 LYS QG 0.000 . 3.000 2.228 2.029 2.433 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS HA 1 3 GLU H 0.000 . 3.000 2.430 2.147 2.962 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLU HA 1 3 GLU QG 0.000 . 3.000 2.509 2.258 2.891 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLU H 1 3 GLU HA 0.000 . 3.000 2.755 2.262 2.948 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU H 1 3 GLU HB3 0.000 . 4.000 3.793 3.543 4.030 0.030 4 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 3 GLU HB2 0.000 . 4.000 2.851 2.276 3.736 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU QG 0.000 . 3.000 2.771 2.486 3.005 0.005 9 0 "[ . 1 . 2]" 1
10 1 3 GLU HA 1 4 PRO HD3 0.000 . 3.000 2.316 1.928 2.798 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HA 1 4 PRO HD2 0.000 . 3.000 2.301 1.994 2.791 . 0 0 "[ . 1 . 2]" 1
12 1 3 GLU HA 1 4 PRO QG 0.000 . 4.000 3.910 3.791 4.022 0.022 9 0 "[ . 1 . 2]" 1
13 1 3 GLU QB 1 4 PRO QD 0.000 . 5.000 2.963 2.054 3.710 . 0 0 "[ . 1 . 2]" 1
14 1 3 GLU QG 1 4 PRO HD3 0.000 . 5.000 4.352 3.474 4.738 . 0 0 "[ . 1 . 2]" 1
15 1 3 GLU QG 1 4 PRO HD2 0.000 . 5.000 4.033 3.028 5.028 0.028 5 0 "[ . 1 . 2]" 1
16 1 3 GLU H 1 4 PRO QD 0.000 . 4.500 3.814 2.590 4.419 . 0 0 "[ . 1 . 2]" 1
17 1 4 PRO HA 1 5 GLU H 0.000 . 3.000 2.460 2.207 2.715 . 0 0 "[ . 1 . 2]" 1
18 1 4 PRO QB 1 5 GLU H 0.000 . 4.000 2.468 1.961 3.047 . 0 0 "[ . 1 . 2]" 1
19 1 4 PRO QB 1 6 ILE MD 0.000 . 5.000 3.015 2.094 4.420 . 0 0 "[ . 1 . 2]" 1
20 1 4 PRO QG 1 6 ILE MD 0.000 . 4.000 2.856 1.810 3.973 . 0 0 "[ . 1 . 2]" 1
21 1 4 PRO HA 1 89 ALA MB 0.000 . 6.000 4.932 4.082 5.338 . 0 0 "[ . 1 . 2]" 1
22 1 4 PRO QB 1 89 ALA MB 0.000 . 5.000 2.641 2.296 2.901 . 0 0 "[ . 1 . 2]" 1
23 1 4 PRO QG 1 89 ALA MB 0.000 . 4.000 3.480 2.327 4.014 0.014 14 0 "[ . 1 . 2]" 1
24 1 5 GLU HA 1 5 GLU HG3 0.000 . 4.000 2.572 2.309 3.072 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU HA 1 5 GLU HG2 0.000 . 4.000 3.237 2.524 3.700 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU H 1 5 GLU QB 0.000 . 3.000 2.373 2.260 2.553 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLU HA 1 6 ILE MD 0.000 . 5.000 4.105 3.283 5.013 0.013 20 0 "[ . 1 . 2]" 1
28 1 5 GLU HA 1 6 ILE H 0.000 . 3.000 2.212 2.138 2.279 . 0 0 "[ . 1 . 2]" 1
29 1 5 GLU QB 1 6 ILE H 0.000 . 4.000 3.989 3.904 4.026 0.026 7 0 "[ . 1 . 2]" 1
30 1 5 GLU HG3 1 6 ILE H 0.000 . 5.000 3.912 3.169 4.733 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU HG2 1 6 ILE H 0.000 . 5.000 4.192 3.261 4.830 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLU H 1 89 ALA HA 0.000 . 6.000 4.404 3.883 5.015 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLU H 1 6 ILE H 0.000 . 4.000 4.027 3.987 4.067 0.067 11 0 "[ . 1 . 2]" 1
34 1 5 GLU H 1 90 LYS H 0.000 . 5.000 3.295 2.516 4.344 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE HA 1 6 ILE MG 0.000 . 3.000 2.282 2.138 2.372 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE HA 1 6 ILE MD 0.000 . 4.000 3.093 1.994 3.943 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE H 1 6 ILE HB 0.000 . 3.000 2.675 2.598 2.998 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE H 1 6 ILE MD 0.000 . 4.000 2.800 2.029 3.600 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE H 1 6 ILE HG13 0.000 . 4.000 3.007 2.202 3.708 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE H 1 6 ILE HG12 0.000 . 4.000 3.157 2.069 4.015 0.015 13 0 "[ . 1 . 2]" 1
41 1 6 ILE HA 1 7 ILE MG 0.000 . 5.000 3.871 3.697 4.184 . 0 0 "[ . 1 . 2]" 1
42 1 6 ILE HA 1 7 ILE H 0.000 . 3.000 2.171 2.150 2.227 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE HB 1 7 ILE H 0.000 . 4.500 4.123 3.906 4.400 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE HG13 1 7 ILE H 0.000 . 5.000 5.094 4.557 5.865 0.865 7 7 "[ * . +**1** . - 2]" 1
45 1 6 ILE HG12 1 7 ILE H 0.000 . 5.000 5.137 4.577 5.605 0.605 14 2 "[ -. 1 +. 2]" 1
46 1 6 ILE MG 1 7 ILE HA 0.000 . 5.000 3.748 3.515 4.294 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE MG 1 7 ILE H 0.000 . 4.000 2.610 2.091 3.355 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE MG 1 87 GLU HG3 0.000 . 4.500 3.072 2.024 4.266 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE MG 1 87 GLU HG2 0.000 . 4.500 2.671 1.747 4.520 0.020 15 0 "[ . 1 . 2]" 1
50 1 6 ILE HA 1 89 ALA MB 0.000 . 4.000 3.037 2.618 3.443 . 0 0 "[ . 1 . 2]" 1
51 1 6 ILE MD 1 89 ALA MB 0.000 . 4.500 2.789 1.708 3.752 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE HG13 1 89 ALA HA 0.000 . 6.000 4.215 2.876 5.671 . 0 0 "[ . 1 . 2]" 1
53 1 6 ILE HG12 1 89 ALA HA 0.000 . 6.000 4.362 2.822 4.912 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE MG 1 89 ALA HA 0.000 . 4.000 3.621 2.963 4.005 0.005 12 0 "[ . 1 . 2]" 1
55 1 6 ILE H 1 7 ILE H 0.000 . 5.000 4.443 4.116 4.554 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE HA 1 7 ILE MG 0.000 . 3.000 2.299 2.224 2.406 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE H 1 7 ILE HG13 0.000 . 4.000 2.340 2.020 2.621 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE H 1 7 ILE HG12 0.000 . 4.000 3.129 2.472 3.644 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE H 1 7 ILE MG 0.000 . 4.000 3.077 2.708 3.247 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE HA 1 8 THR H 0.000 . 3.000 2.240 2.186 2.344 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE HB 1 8 THR H 0.000 . 3.000 2.854 2.505 3.017 0.017 13 0 "[ . 1 . 2]" 1
62 1 7 ILE MD 1 8 THR H 0.000 . 4.000 3.968 3.686 4.031 0.031 4 0 "[ . 1 . 2]" 1
63 1 7 ILE QG 1 8 THR H 0.000 . 5.000 4.104 3.883 4.361 . 0 0 "[ . 1 . 2]" 1
64 1 7 ILE MG 1 8 THR H 0.000 . 4.000 3.793 3.516 3.879 . 0 0 "[ . 1 . 2]" 1
65 1 7 ILE MD 1 9 VAL H 0.000 . 5.000 4.313 3.274 4.961 . 0 0 "[ . 1 . 2]" 1
66 1 7 ILE MD 1 50 ARG HA 0.000 . 4.500 4.812 4.150 5.020 0.520 4 1 "[ +. 1 . 2]" 1
67 1 7 ILE MD 1 50 ARG HD3 0.000 . 5.000 4.055 2.687 4.998 . 0 0 "[ . 1 . 2]" 1
68 1 7 ILE MD 1 50 ARG HD2 0.000 . 5.000 4.099 2.773 5.006 0.006 20 0 "[ . 1 . 2]" 1
69 1 7 ILE MD 1 51 LEU HA 0.000 . 6.000 4.974 3.658 5.735 . 0 0 "[ . 1 . 2]" 1
70 1 7 ILE QG 1 88 VAL QG 0.000 . 4.000 2.553 1.864 3.942 . 0 0 "[ . 1 . 2]" 1
71 1 7 ILE HG13 1 88 VAL H 0.000 . 5.000 3.329 3.198 3.484 . 0 0 "[ . 1 . 2]" 1
72 1 7 ILE HG12 1 88 VAL H 0.000 . 5.000 4.988 4.836 5.029 0.029 3 0 "[ . 1 . 2]" 1
73 1 7 ILE MD 1 90 LYS HE3 0.000 . 5.000 3.861 2.489 4.907 . 0 0 "[ . 1 . 2]" 1
74 1 7 ILE MD 1 90 LYS HE2 0.000 . 5.000 3.786 2.644 4.870 . 0 0 "[ . 1 . 2]" 1
75 1 7 ILE H 1 8 THR H 0.000 . 5.000 4.387 4.305 4.551 . 0 0 "[ . 1 . 2]" 1
76 1 7 ILE H 1 88 VAL H 0.000 . 4.000 3.502 2.893 3.904 . 0 0 "[ . 1 . 2]" 1
77 1 8 THR H 1 8 THR HB 0.000 . 3.000 2.843 2.394 3.035 0.035 11 0 "[ . 1 . 2]" 1
78 1 8 THR HA 1 9 VAL QG 0.000 . 5.000 3.441 3.147 3.823 . 0 0 "[ . 1 . 2]" 1
79 1 8 THR HA 1 9 VAL H 0.000 . 3.000 2.175 2.135 2.250 . 0 0 "[ . 1 . 2]" 1
80 1 8 THR HB 1 9 VAL H 0.000 . 5.000 4.080 3.870 4.356 . 0 0 "[ . 1 . 2]" 1
81 1 8 THR MG 1 9 VAL H 0.000 . 4.000 3.268 2.322 4.002 0.002 2 0 "[ . 1 . 2]" 1
82 1 8 THR HA 1 87 GLU HB3 0.000 . 5.000 4.232 2.564 4.939 . 0 0 "[ . 1 . 2]" 1
83 1 8 THR HA 1 87 GLU HB2 0.000 . 5.000 3.737 2.751 4.832 . 0 0 "[ . 1 . 2]" 1
84 1 8 THR HB 1 87 GLU HB3 0.000 . 6.000 4.991 3.345 6.063 0.063 1 0 "[ . 1 . 2]" 1
85 1 8 THR HB 1 87 GLU HB2 0.000 . 6.000 4.218 2.639 6.007 0.007 7 0 "[ . 1 . 2]" 1
86 1 8 THR MG 1 87 GLU HA 0.000 . 4.000 3.452 2.390 4.044 0.044 10 0 "[ . 1 . 2]" 1
87 1 8 THR MG 1 87 GLU QG 0.000 . 5.000 3.472 2.785 4.131 . 0 0 "[ . 1 . 2]" 1
88 1 8 THR H 1 9 VAL H 0.000 . 5.000 4.428 4.205 4.548 . 0 0 "[ . 1 . 2]" 1
89 1 9 VAL H 1 9 VAL HB 0.000 . 4.000 3.310 2.682 3.808 . 0 0 "[ . 1 . 2]" 1
90 1 9 VAL H 1 9 VAL QG 0.000 . 4.000 2.211 1.947 2.779 . 0 0 "[ . 1 . 2]" 1
91 1 9 VAL HA 1 10 THR H 0.000 . 3.000 2.226 2.145 2.481 . 0 0 "[ . 1 . 2]" 1
92 1 9 VAL HB 1 10 THR H 0.000 . 5.000 3.454 2.210 4.225 . 0 0 "[ . 1 . 2]" 1
93 1 9 VAL QG 1 10 THR HA 0.000 . 5.000 3.997 3.379 4.451 . 0 0 "[ . 1 . 2]" 1
94 1 9 VAL QG 1 10 THR H 0.000 . 4.000 2.789 2.020 3.671 . 0 0 "[ . 1 . 2]" 1
95 1 9 VAL QG 1 50 ARG QD 0.000 . 5.000 2.043 1.706 3.093 . 0 0 "[ . 1 . 2]" 1
96 1 9 VAL QG 1 50 ARG QG 0.000 . 5.000 2.474 1.815 3.335 . 0 0 "[ . 1 . 2]" 1
97 1 9 VAL QG 1 50 ARG H 0.000 . 6.000 4.742 3.988 5.509 . 0 0 "[ . 1 . 2]" 1
98 1 9 VAL QG 1 51 LEU HG 0.000 . 5.000 4.478 3.574 5.013 0.013 16 0 "[ . 1 . 2]" 1
99 1 9 VAL HB 1 86 LEU H 0.000 . 5.000 4.820 3.588 5.036 0.036 1 0 "[ . 1 . 2]" 1
100 1 9 VAL QG 1 86 LEU QB 0.000 . 5.000 3.313 2.174 4.731 . 0 0 "[ . 1 . 2]" 1
101 1 9 VAL H 1 86 LEU HB3 0.000 . 5.000 4.840 4.485 5.005 0.005 17 0 "[ . 1 . 2]" 1
102 1 9 VAL H 1 86 LEU HB2 0.000 . 5.000 4.137 3.540 4.773 . 0 0 "[ . 1 . 2]" 1
103 1 9 VAL H 1 10 THR H 0.000 . 6.000 4.421 4.222 4.567 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL H 1 86 LEU H 0.000 . 4.000 3.074 2.392 3.667 . 0 0 "[ . 1 . 2]" 1
105 1 10 THR H 1 10 THR HB 0.000 . 4.000 3.020 2.477 3.529 . 0 0 "[ . 1 . 2]" 1
106 1 10 THR HA 1 11 LEU H 0.000 . 3.000 2.186 2.140 2.257 . 0 0 "[ . 1 . 2]" 1
107 1 10 THR HB 1 11 LEU H 0.000 . 5.000 3.972 2.879 4.447 . 0 0 "[ . 1 . 2]" 1
108 1 10 THR MG 1 11 LEU H 0.000 . 4.000 3.299 2.220 3.973 . 0 0 "[ . 1 . 2]" 1
109 1 10 THR HA 1 83 VAL QG 0.000 . 5.000 3.482 2.864 3.919 . 0 0 "[ . 1 . 2]" 1
110 1 10 THR HB 1 83 VAL QG 0.000 . 4.000 3.255 1.870 4.193 0.193 7 0 "[ . 1 . 2]" 1
111 1 10 THR MG 1 83 VAL HB 0.000 . 4.000 4.051 3.759 4.475 0.475 7 0 "[ . 1 . 2]" 1
112 1 10 THR MG 1 83 VAL QG 0.000 . 4.000 1.895 1.727 2.211 . 0 0 "[ . 1 . 2]" 1
113 1 10 THR HA 1 84 VAL H 0.000 . 6.000 4.101 3.678 5.100 . 0 0 "[ . 1 . 2]" 1
114 1 10 THR HA 1 85 THR HA 0.000 . 4.000 2.428 2.058 2.747 . 0 0 "[ . 1 . 2]" 1
115 1 10 THR HA 1 85 THR H 0.000 . 5.000 4.534 3.808 4.986 . 0 0 "[ . 1 . 2]" 1
116 1 10 THR H 1 11 LEU H 0.000 . 6.000 4.309 4.127 4.609 . 0 0 "[ . 1 . 2]" 1
117 1 11 LEU HA 1 11 LEU QD 0.000 . 4.000 2.522 1.964 3.390 . 0 0 "[ . 1 . 2]" 1
118 1 11 LEU H 1 11 LEU HB3 0.000 . 4.000 3.397 2.578 3.804 . 0 0 "[ . 1 . 2]" 1
119 1 11 LEU H 1 11 LEU HB2 0.000 . 4.000 2.572 2.183 3.926 . 0 0 "[ . 1 . 2]" 1
120 1 11 LEU H 1 11 LEU QD 0.000 . 4.000 3.337 2.172 3.950 . 0 0 "[ . 1 . 2]" 1
121 1 11 LEU HA 1 12 LYS H 0.000 . 3.000 2.316 2.151 2.561 . 0 0 "[ . 1 . 2]" 1
122 1 11 LEU QB 1 12 LYS H 0.000 . 5.000 2.897 2.152 3.683 . 0 0 "[ . 1 . 2]" 1
123 1 11 LEU HG 1 12 LYS H 0.000 . 4.000 3.801 2.207 4.945 0.945 7 7 "[ -*. + *1 ** *]" 1
124 1 11 LEU QD 1 12 LYS H 0.000 . 4.000 3.069 2.069 3.833 . 0 0 "[ . 1 . 2]" 1
125 1 11 LEU QD 1 17 MET QB 0.000 . 4.500 5.696 3.858 6.997 2.497 16 17 "[****. * ******-+****]" 1
126 1 11 LEU QD 1 44 ALA MB 0.000 . 4.000 2.524 1.734 3.701 . 0 0 "[ . 1 . 2]" 1
127 1 11 LEU QD 1 45 ALA HA 0.000 . 4.000 2.042 1.768 2.488 . 0 0 "[ . 1 . 2]" 1
128 1 11 LEU QD 1 45 ALA MB 0.000 . 4.000 2.285 1.710 3.058 . 0 0 "[ . 1 . 2]" 1
129 1 11 LEU QD 1 48 ASP QB 0.000 . 4.000 2.489 1.778 3.840 . 0 0 "[ . 1 . 2]" 1
130 1 11 LEU QD 1 49 GLY H 0.000 . 5.000 4.381 3.467 4.946 . 0 0 "[ . 1 . 2]" 1
131 1 11 LEU QD 1 50 ARG H 0.000 . 5.000 4.176 3.577 4.772 . 0 0 "[ . 1 . 2]" 1
132 1 11 LEU H 1 83 VAL HA 0.000 . 5.000 4.649 3.669 5.015 0.015 7 0 "[ . 1 . 2]" 1
133 1 11 LEU HB3 1 84 VAL QG 0.000 . 5.000 4.357 2.122 5.013 0.013 7 0 "[ . 1 . 2]" 1
134 1 11 LEU HB2 1 84 VAL QG 0.000 . 5.000 4.190 1.938 4.989 . 0 0 "[ . 1 . 2]" 1
135 1 11 LEU QB 1 84 VAL H 0.000 . 5.000 3.988 3.316 4.927 . 0 0 "[ . 1 . 2]" 1
136 1 11 LEU H 1 84 VAL HB 0.000 . 5.000 3.880 2.904 4.956 . 0 0 "[ . 1 . 2]" 1
137 1 11 LEU H 1 84 VAL QG 0.000 . 5.000 4.020 2.673 4.460 . 0 0 "[ . 1 . 2]" 1
138 1 11 LEU H 1 85 THR HA 0.000 . 4.000 3.501 3.062 3.953 . 0 0 "[ . 1 . 2]" 1
139 1 11 LEU H 1 12 LYS H 0.000 . 5.000 4.476 4.217 4.593 . 0 0 "[ . 1 . 2]" 1
140 1 11 LEU H 1 84 VAL H 0.000 . 4.000 3.000 2.348 3.842 . 0 0 "[ . 1 . 2]" 1
141 1 11 LEU H 1 86 LEU H 0.000 . 6.000 4.192 3.524 4.745 . 0 0 "[ . 1 . 2]" 1
142 1 12 LYS HA 1 12 LYS QD 0.000 . 5.000 3.480 2.357 4.233 . 0 0 "[ . 1 . 2]" 1
143 1 12 LYS HA 1 13 LYS H 0.000 . 3.000 2.274 2.145 2.566 . 0 0 "[ . 1 . 2]" 1
144 1 12 LYS QB 1 13 LYS H 0.000 . 4.000 3.121 2.153 3.919 . 0 0 "[ . 1 . 2]" 1
145 1 12 LYS QD 1 82 SER QB 0.000 . 5.000 3.840 2.293 5.009 0.009 15 0 "[ . 1 . 2]" 1
146 1 12 LYS QE 1 82 SER QB 0.000 . 6.000 3.662 1.942 5.552 . 0 0 "[ . 1 . 2]" 1
147 1 12 LYS QG 1 82 SER QB 0.000 . 5.000 3.527 2.615 4.604 . 0 0 "[ . 1 . 2]" 1
148 1 12 LYS QD 1 83 VAL QG 0.000 . 4.000 3.026 1.840 4.158 0.158 19 0 "[ . 1 . 2]" 1
149 1 12 LYS QE 1 83 VAL MG1 0.000 . 5.000 4.072 2.860 5.007 0.007 19 0 "[ . 1 . 2]" 1
150 1 12 LYS QE 1 83 VAL MG2 0.000 . 5.000 2.624 1.885 3.728 . 0 0 "[ . 1 . 2]" 1
151 1 12 LYS QG 1 83 VAL QG 0.000 . 4.000 2.367 1.892 3.478 . 0 0 "[ . 1 . 2]" 1
152 1 12 LYS H 1 83 VAL QG 0.000 . 6.000 4.597 3.856 5.202 . 0 0 "[ . 1 . 2]" 1
153 1 12 LYS H 1 84 VAL QG 0.000 . 6.000 5.324 4.368 6.028 0.028 11 0 "[ . 1 . 2]" 1
154 1 13 LYS HA 1 13 LYS QG 0.000 . 4.000 2.452 2.026 3.355 . 0 0 "[ . 1 . 2]" 1
155 1 13 LYS H 1 13 LYS QB 0.000 . 3.000 2.305 2.049 2.594 . 0 0 "[ . 1 . 2]" 1
156 1 13 LYS H 1 13 LYS QG 0.000 . 4.000 3.019 2.137 4.018 0.018 7 0 "[ . 1 . 2]" 1
157 1 13 LYS HA 1 14 GLN H 0.000 . 3.000 2.165 2.129 2.312 . 0 0 "[ . 1 . 2]" 1
158 1 13 LYS HB3 1 14 GLN H 0.000 . 4.500 3.750 2.606 4.423 . 0 0 "[ . 1 . 2]" 1
159 1 13 LYS HB2 1 14 GLN H 0.000 . 4.500 4.250 2.832 4.521 0.021 9 0 "[ . 1 . 2]" 1
160 1 13 LYS QG 1 14 GLN H 0.000 . 5.000 3.739 2.787 4.399 . 0 0 "[ . 1 . 2]" 1
161 1 13 LYS HA 1 15 ASN H 0.000 . 6.000 4.268 3.797 4.995 . 0 0 "[ . 1 . 2]" 1
162 1 13 LYS QB 1 16 GLY H 0.000 . 4.000 3.359 2.612 4.289 0.289 7 0 "[ . 1 . 2]" 1
163 1 13 LYS QB 1 16 GLY QA 0.000 . 5.000 4.492 3.822 5.010 0.010 3 0 "[ . 1 . 2]" 1
164 1 13 LYS QG 1 16 GLY H 0.000 . 5.000 3.595 2.013 5.078 0.078 17 0 "[ . 1 . 2]" 1
165 1 13 LYS HA 1 17 MET QG 0.000 . 5.000 4.503 3.669 5.472 0.472 7 0 "[ . 1 . 2]" 1
166 1 13 LYS HA 1 44 ALA MB 0.000 . 4.000 3.074 2.245 3.962 . 0 0 "[ . 1 . 2]" 1
167 1 13 LYS QD 1 81 SER H 0.000 . 6.000 5.752 3.984 7.814 1.814 13 6 "[* . * 1 + .**- 2]" 1
168 1 13 LYS QE 1 81 SER H 0.000 . 6.000 5.175 4.452 5.965 . 0 0 "[ . 1 . 2]" 1
169 1 13 LYS QB 1 82 SER HA 0.000 . 4.500 3.234 2.268 4.493 . 0 0 "[ . 1 . 2]" 1
170 1 13 LYS QE 1 82 SER HA 0.000 . 6.000 4.345 2.477 5.629 . 0 0 "[ . 1 . 2]" 1
171 1 13 LYS QG 1 82 SER HA 0.000 . 4.500 4.077 2.175 4.942 0.442 7 0 "[ . 1 . 2]" 1
172 1 13 LYS H 1 82 SER HA 0.000 . 5.000 3.473 2.948 3.805 . 0 0 "[ . 1 . 2]" 1
173 1 13 LYS QE 1 84 VAL QG 0.000 . 4.500 3.762 2.417 4.730 0.230 15 0 "[ . 1 . 2]" 1
174 1 13 LYS H 1 14 GLN H 0.000 . 5.000 4.436 4.202 4.632 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS H 1 84 VAL H 0.000 . 5.000 5.035 4.270 5.928 0.928 10 3 "[ - . + * . 2]" 1
176 1 14 GLN HA 1 14 GLN HE21 0.000 . 6.000 3.905 3.154 4.973 . 0 0 "[ . 1 . 2]" 1
177 1 14 GLN HA 1 14 GLN HE22 0.000 . 6.000 4.862 4.229 5.059 . 0 0 "[ . 1 . 2]" 1
178 1 14 GLN HA 1 14 GLN QG 0.000 . 4.000 2.565 1.996 3.394 . 0 0 "[ . 1 . 2]" 1
179 1 14 GLN H 1 14 GLN QG 0.000 . 5.000 3.324 1.958 4.137 . 0 0 "[ . 1 . 2]" 1
180 1 14 GLN HA 1 15 ASN H 0.000 . 4.000 3.100 2.283 3.572 . 0 0 "[ . 1 . 2]" 1
181 1 14 GLN QB 1 15 ASN H 0.000 . 4.000 3.259 2.143 4.029 0.029 5 0 "[ . 1 . 2]" 1
182 1 14 GLN QG 1 15 ASN H 0.000 . 5.000 3.669 1.902 4.539 . 0 0 "[ . 1 . 2]" 1
183 1 14 GLN QB 1 16 GLY H 0.000 . 5.000 4.661 4.168 5.280 0.280 7 0 "[ . 1 . 2]" 1
184 1 14 GLN QB 1 44 ALA MB 0.000 . 4.000 2.901 1.869 4.458 0.458 3 0 "[ . 1 . 2]" 1
185 1 14 GLN HE21 1 44 ALA HA 0.000 . 5.000 3.625 2.096 5.007 0.007 18 0 "[ . 1 . 2]" 1
186 1 14 GLN HE22 1 44 ALA HA 0.000 . 5.000 3.862 2.524 4.960 . 0 0 "[ . 1 . 2]" 1
187 1 14 GLN H 1 44 ALA MB 0.000 . 4.000 2.678 2.001 3.406 . 0 0 "[ . 1 . 2]" 1
188 1 14 GLN HE21 1 47 VAL QG 0.000 . 6.000 4.493 2.096 5.823 . 0 0 "[ . 1 . 2]" 1
189 1 14 GLN H 1 15 ASN H 0.000 . 5.000 2.800 2.059 3.896 . 0 0 "[ . 1 . 2]" 1
190 1 14 GLN H 1 16 GLY H 0.000 . 5.000 3.448 2.776 3.690 . 0 0 "[ . 1 . 2]" 1
191 1 15 ASN HA 1 16 GLY H 0.000 . 3.000 2.815 2.715 2.917 . 0 0 "[ . 1 . 2]" 1
192 1 15 ASN HB3 1 16 GLY H 0.000 . 5.000 4.350 4.188 4.675 . 0 0 "[ . 1 . 2]" 1
193 1 15 ASN HB2 1 16 GLY H 0.000 . 5.000 4.520 4.295 4.629 . 0 0 "[ . 1 . 2]" 1
194 1 15 ASN H 1 16 GLY H 0.000 . 5.000 2.470 2.168 2.755 . 0 0 "[ . 1 . 2]" 1
195 1 16 GLY H 1 16 GLY HA3 0.000 . 3.000 2.941 2.831 2.960 . 0 0 "[ . 1 . 2]" 1
196 1 16 GLY H 1 16 GLY HA2 0.000 . 3.000 2.514 2.364 2.788 . 0 0 "[ . 1 . 2]" 1
197 1 16 GLY HA3 1 17 MET H 0.000 . 3.000 2.461 2.242 2.896 . 0 0 "[ . 1 . 2]" 1
198 1 16 GLY HA2 1 17 MET H 0.000 . 3.000 2.707 2.299 2.983 . 0 0 "[ . 1 . 2]" 1
199 1 16 GLY QA 1 18 GLY H 0.000 . 4.500 4.553 3.861 5.008 0.508 20 1 "[ . 1 . +]" 1
200 1 16 GLY H 1 17 MET H 0.000 . 6.000 4.465 4.212 4.571 . 0 0 "[ . 1 . 2]" 1
201 1 17 MET H 1 17 MET HB3 0.000 . 4.000 3.721 3.234 3.878 . 0 0 "[ . 1 . 2]" 1
202 1 17 MET H 1 17 MET HB2 0.000 . 4.000 2.634 2.255 2.813 . 0 0 "[ . 1 . 2]" 1
203 1 17 MET H 1 17 MET HG3 0.000 . 5.000 3.709 2.396 4.432 . 0 0 "[ . 1 . 2]" 1
204 1 17 MET H 1 17 MET HG2 0.000 . 5.000 3.730 2.484 4.476 . 0 0 "[ . 1 . 2]" 1
205 1 17 MET QB 1 18 GLY H 0.000 . 4.000 3.012 2.043 3.840 . 0 0 "[ . 1 . 2]" 1
206 1 17 MET HB3 1 18 GLY H 0.000 . 5.000 3.430 2.384 4.159 . 0 0 "[ . 1 . 2]" 1
207 1 17 MET HB2 1 18 GLY H 0.000 . 5.000 3.552 2.062 4.510 . 0 0 "[ . 1 . 2]" 1
208 1 17 MET H 1 18 GLY QA 0.000 . 5.000 4.151 3.801 4.474 . 0 0 "[ . 1 . 2]" 1
209 1 17 MET HA 1 19 LEU QD 0.000 . 5.000 3.192 2.599 3.965 . 0 0 "[ . 1 . 2]" 1
210 1 17 MET QB 1 19 LEU QD 0.000 . 4.000 2.448 1.842 3.686 . 0 0 "[ . 1 . 2]" 1
211 1 17 MET QG 1 19 LEU QD 0.000 . 5.000 3.558 2.535 4.204 . 0 0 "[ . 1 . 2]" 1
212 1 17 MET HB3 1 19 LEU H 0.000 . 5.000 3.787 2.907 4.848 . 0 0 "[ . 1 . 2]" 1
213 1 17 MET HB2 1 19 LEU H 0.000 . 5.000 4.330 3.587 4.810 . 0 0 "[ . 1 . 2]" 1
214 1 17 MET HA 1 44 ALA H 0.000 . 5.000 4.113 2.756 4.984 . 0 0 "[ . 1 . 2]" 1
215 1 17 MET QG 1 44 ALA MB 0.000 . 5.000 4.686 3.852 5.926 0.926 17 2 "[ . -1 . + 2]" 1
216 1 17 MET QB 1 45 ALA MB 0.000 . 5.000 5.210 3.467 6.016 1.016 20 7 "[ *-. 1* **. *+]" 1
217 1 17 MET HG3 1 84 VAL QG 0.000 . 5.000 4.987 3.948 5.882 0.882 8 4 "[ * .* + 1 . - 2]" 1
218 1 17 MET HG2 1 84 VAL QG 0.000 . 5.000 4.864 3.710 5.671 0.671 19 2 "[ . 1 -. +2]" 1
219 1 17 MET H 1 18 GLY H 0.000 . 4.000 3.249 2.214 4.014 0.014 13 0 "[ . 1 . 2]" 1
220 1 18 GLY QA 1 19 LEU QD 0.000 . 5.000 3.621 3.230 4.332 . 0 0 "[ . 1 . 2]" 1
221 1 18 GLY QA 1 19 LEU H 0.000 . 4.000 2.443 2.320 2.767 . 0 0 "[ . 1 . 2]" 1
222 1 18 GLY H 1 19 LEU HA 0.000 . 6.000 5.359 4.939 5.591 . 0 0 "[ . 1 . 2]" 1
223 1 18 GLY H 1 19 LEU QB 0.000 . 6.000 4.805 4.473 5.153 . 0 0 "[ . 1 . 2]" 1
224 1 18 GLY H 1 19 LEU HG 0.000 . 6.000 4.464 3.377 5.563 . 0 0 "[ . 1 . 2]" 1
225 1 18 GLY H 1 19 LEU QD 0.000 . 5.000 3.353 2.426 4.882 . 0 0 "[ . 1 . 2]" 1
226 1 18 GLY HA3 1 40 VAL HB 0.000 . 4.000 2.310 1.878 3.650 . 0 0 "[ . 1 . 2]" 1
227 1 18 GLY HA2 1 40 VAL HB 0.000 . 4.000 3.395 2.909 4.529 0.529 13 1 "[ . 1 + . 2]" 1
228 1 18 GLY HA3 1 40 VAL QG 0.000 . 4.000 2.652 1.623 3.240 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLY HA2 1 40 VAL QG 0.000 . 4.000 2.584 2.000 3.236 . 0 0 "[ . 1 . 2]" 1
230 1 18 GLY QA 1 40 VAL H 0.000 . 5.000 3.432 2.939 3.808 . 0 0 "[ . 1 . 2]" 1
231 1 18 GLY H 1 40 VAL HB 0.000 . 6.000 4.718 4.184 5.742 . 0 0 "[ . 1 . 2]" 1
232 1 18 GLY H 1 40 VAL QG 0.000 . 5.000 4.253 3.015 4.921 . 0 0 "[ . 1 . 2]" 1
233 1 18 GLY QA 1 43 GLY QA 0.000 . 5.000 3.512 2.838 4.163 . 0 0 "[ . 1 . 2]" 1
234 1 18 GLY H 1 43 GLY QA 0.000 . 6.000 4.040 2.573 5.878 . 0 0 "[ . 1 . 2]" 1
235 1 18 GLY H 1 19 LEU H 0.000 . 4.000 3.374 2.605 3.975 . 0 0 "[ . 1 . 2]" 1
236 1 19 LEU HA 1 19 LEU QD 0.000 . 4.000 3.045 2.218 3.459 . 0 0 "[ . 1 . 2]" 1
237 1 19 LEU H 1 19 LEU QD 0.000 . 4.500 2.866 2.028 3.868 . 0 0 "[ . 1 . 2]" 1
238 1 19 LEU HA 1 20 SER H 0.000 . 3.000 2.167 2.136 2.234 . 0 0 "[ . 1 . 2]" 1
239 1 19 LEU QB 1 20 SER H 0.000 . 4.000 3.286 2.812 3.599 . 0 0 "[ . 1 . 2]" 1
240 1 19 LEU QD 1 20 SER H 0.000 . 5.000 4.130 3.340 4.513 . 0 0 "[ . 1 . 2]" 1
241 1 19 LEU HA 1 38 SER H 0.000 . 6.000 4.982 4.721 5.038 . 0 0 "[ . 1 . 2]" 1
242 1 19 LEU HA 1 39 VAL HA 0.000 . 4.000 2.300 2.061 2.698 . 0 0 "[ . 1 . 2]" 1
243 1 19 LEU HA 1 39 VAL HB 0.000 . 6.000 5.147 4.615 5.582 . 0 0 "[ . 1 . 2]" 1
244 1 19 LEU HA 1 39 VAL QG 0.000 . 5.000 2.985 2.342 3.384 . 0 0 "[ . 1 . 2]" 1
245 1 19 LEU H 1 39 VAL HA 0.000 . 6.000 4.965 4.648 5.359 . 0 0 "[ . 1 . 2]" 1
246 1 19 LEU HA 1 40 VAL H 0.000 . 4.000 2.947 2.289 3.686 . 0 0 "[ . 1 . 2]" 1
247 1 19 LEU H 1 40 VAL HB 0.000 . 6.000 5.015 4.558 6.597 0.597 13 1 "[ . 1 + . 2]" 1
248 1 19 LEU H 1 40 VAL QG 0.000 . 5.000 3.573 3.126 4.530 . 0 0 "[ . 1 . 2]" 1
249 1 19 LEU HA 1 45 ALA MB 0.000 . 6.000 5.266 4.616 5.970 . 0 0 "[ . 1 . 2]" 1
250 1 19 LEU QD 1 45 ALA MB 0.000 . 4.000 1.983 1.704 2.734 . 0 0 "[ . 1 . 2]" 1
251 1 19 LEU H 1 20 SER H 0.000 . 5.000 4.108 3.916 4.283 . 0 0 "[ . 1 . 2]" 1
252 1 20 SER HA 1 21 ILE H 0.000 . 3.000 2.190 2.143 2.293 . 0 0 "[ . 1 . 2]" 1
253 1 20 SER QB 1 21 ILE H 0.000 . 4.000 3.440 2.785 3.810 . 0 0 "[ . 1 . 2]" 1
254 1 20 SER HA 1 37 LYS QB 0.000 . 5.000 5.090 3.997 6.714 1.714 13 7 "[ .* * 1 -+ . ** *]" 1
255 1 20 SER QB 1 37 LYS QB 0.000 . 4.500 2.952 1.924 4.504 0.004 13 0 "[ . 1 . 2]" 1
256 1 20 SER QB 1 37 LYS HD3 0.000 . 6.000 3.492 1.921 5.000 . 0 0 "[ . 1 . 2]" 1
257 1 20 SER QB 1 37 LYS HD2 0.000 . 6.000 4.131 3.116 4.924 . 0 0 "[ . 1 . 2]" 1
258 1 20 SER QB 1 37 LYS QE 0.000 . 5.000 3.176 2.021 4.856 . 0 0 "[ . 1 . 2]" 1
259 1 20 SER QB 1 37 LYS QG 0.000 . 6.000 3.389 1.909 4.608 . 0 0 "[ . 1 . 2]" 1
260 1 20 SER HA 1 38 SER H 0.000 . 5.000 4.843 4.478 5.283 0.283 19 0 "[ . 1 . 2]" 1
261 1 20 SER QB 1 38 SER H 0.000 . 4.000 2.726 2.142 3.749 . 0 0 "[ . 1 . 2]" 1
262 1 20 SER H 1 38 SER QB 0.000 . 6.000 3.780 3.020 4.349 . 0 0 "[ . 1 . 2]" 1
263 1 20 SER QB 1 39 VAL QG 0.000 . 6.000 4.932 4.312 5.440 . 0 0 "[ . 1 . 2]" 1
264 1 20 SER H 1 39 VAL HA 0.000 . 5.000 3.130 2.758 3.360 . 0 0 "[ . 1 . 2]" 1
265 1 20 SER H 1 39 VAL QG 0.000 . 4.000 3.840 3.347 4.008 0.008 16 0 "[ . 1 . 2]" 1
266 1 20 SER H 1 40 VAL QG 0.000 . 5.000 3.882 3.451 4.388 . 0 0 "[ . 1 . 2]" 1
267 1 20 SER H 1 37 LYS H 0.000 . 6.000 4.753 4.464 5.112 . 0 0 "[ . 1 . 2]" 1
268 1 20 SER H 1 38 SER H 0.000 . 4.000 3.344 2.808 3.609 . 0 0 "[ . 1 . 2]" 1
269 1 21 ILE HA 1 21 ILE MG 0.000 . 3.000 2.258 2.132 2.378 . 0 0 "[ . 1 . 2]" 1
270 1 21 ILE H 1 21 ILE MG 0.000 . 4.000 2.915 2.468 3.274 . 0 0 "[ . 1 . 2]" 1
271 1 21 ILE H 1 21 ILE HG13 0.000 . 4.000 2.105 1.959 2.315 . 0 0 "[ . 1 . 2]" 1
272 1 21 ILE H 1 21 ILE HG12 0.000 . 4.000 2.897 2.457 3.599 . 0 0 "[ . 1 . 2]" 1
273 1 21 ILE HA 1 22 VAL H 0.000 . 3.000 2.519 2.398 2.574 . 0 0 "[ . 1 . 2]" 1
274 1 21 ILE HB 1 22 VAL H 0.000 . 4.000 2.131 2.028 2.375 . 0 0 "[ . 1 . 2]" 1
275 1 21 ILE QG 1 22 VAL H 0.000 . 5.000 3.786 3.636 4.076 . 0 0 "[ . 1 . 2]" 1
276 1 21 ILE MG 1 22 VAL HA 0.000 . 6.000 5.374 5.333 5.448 . 0 0 "[ . 1 . 2]" 1
277 1 21 ILE MG 1 22 VAL H 0.000 . 4.500 3.465 3.380 3.548 . 0 0 "[ . 1 . 2]" 1
278 1 21 ILE MD 1 23 ALA H 0.000 . 5.000 4.431 3.732 4.896 . 0 0 "[ . 1 . 2]" 1
279 1 21 ILE HA 1 34 ILE MG 0.000 . 5.000 3.810 3.494 4.076 . 0 0 "[ . 1 . 2]" 1
280 1 21 ILE MG 1 34 ILE HA 0.000 . 6.000 4.984 4.575 5.352 . 0 0 "[ . 1 . 2]" 1
281 1 21 ILE MG 1 34 ILE HB 0.000 . 5.000 4.356 4.016 4.680 . 0 0 "[ . 1 . 2]" 1
282 1 21 ILE HA 1 35 TYR H 0.000 . 5.000 4.687 4.103 5.036 0.036 4 0 "[ . 1 . 2]" 1
283 1 21 ILE HB 1 35 TYR H 0.000 . 5.000 3.820 3.184 4.590 . 0 0 "[ . 1 . 2]" 1
284 1 21 ILE HA 1 36 VAL HA 0.000 . 4.000 2.402 2.093 2.869 . 0 0 "[ . 1 . 2]" 1
285 1 21 ILE HA 1 36 VAL H 0.000 . 6.000 4.745 4.574 5.129 . 0 0 "[ . 1 . 2]" 1
286 1 21 ILE MG 1 36 VAL HA 0.000 . 4.000 2.640 2.322 3.438 . 0 0 "[ . 1 . 2]" 1
287 1 21 ILE MG 1 36 VAL HB 0.000 . 6.000 4.695 4.080 5.810 . 0 0 "[ . 1 . 2]" 1
288 1 21 ILE HA 1 37 LYS H 0.000 . 4.000 2.636 1.978 3.101 . 0 0 "[ . 1 . 2]" 1
289 1 21 ILE HB 1 37 LYS H 0.000 . 6.000 5.050 4.322 5.480 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE HA 1 38 SER H 0.000 . 4.500 4.449 4.082 4.519 0.019 18 0 "[ . 1 . 2]" 1
291 1 21 ILE MD 1 70 GLN HA 0.000 . 5.000 3.254 2.609 3.920 . 0 0 "[ . 1 . 2]" 1
292 1 21 ILE MD 1 70 GLN QB 0.000 . 5.000 3.932 3.506 4.673 . 0 0 "[ . 1 . 2]" 1
293 1 21 ILE MD 1 70 GLN HG3 0.000 . 4.000 2.374 1.865 3.062 . 0 0 "[ . 1 . 2]" 1
294 1 21 ILE MD 1 70 GLN HG2 0.000 . 4.000 2.856 1.985 3.705 . 0 0 "[ . 1 . 2]" 1
295 1 21 ILE MD 1 70 GLN QE 0.000 . 5.000 3.022 2.091 4.039 . 0 0 "[ . 1 . 2]" 1
296 1 21 ILE QG 1 70 GLN HE21 0.000 . 5.000 2.923 2.106 3.744 . 0 0 "[ . 1 . 2]" 1
297 1 21 ILE QG 1 70 GLN HE22 0.000 . 5.000 4.147 3.377 4.734 . 0 0 "[ . 1 . 2]" 1
298 1 21 ILE MD 1 74 ALA HA 0.000 . 4.000 3.332 2.577 4.004 0.004 17 0 "[ . 1 . 2]" 1
299 1 21 ILE MD 1 74 ALA MB 0.000 . 4.000 2.750 2.062 3.354 . 0 0 "[ . 1 . 2]" 1
300 1 21 ILE MD 1 74 ALA H 0.000 . 4.000 3.316 2.329 3.908 . 0 0 "[ . 1 . 2]" 1
301 1 21 ILE MG 1 77 MET QB 0.000 . 5.000 5.095 4.095 6.026 1.026 10 5 "[ * + - . * *2]" 1
302 1 21 ILE H 1 22 VAL H 0.000 . 6.000 4.496 4.439 4.573 . 0 0 "[ . 1 . 2]" 1
303 1 22 VAL H 1 22 VAL MG1 0.000 . 4.000 2.416 2.132 3.949 . 0 0 "[ . 1 . 2]" 1
304 1 22 VAL H 1 22 VAL MG2 0.000 . 4.000 3.879 2.273 3.996 . 0 0 "[ . 1 . 2]" 1
305 1 22 VAL HA 1 23 ALA H 0.000 . 3.000 2.228 2.176 2.447 . 0 0 "[ . 1 . 2]" 1
306 1 22 VAL HB 1 23 ALA H 0.000 . 4.000 3.948 2.985 4.035 0.035 7 0 "[ . 1 . 2]" 1
307 1 22 VAL QG 1 23 ALA H 0.000 . 4.000 2.207 2.054 2.375 . 0 0 "[ . 1 . 2]" 1
308 1 22 VAL MG1 1 23 ALA H 0.000 . 5.000 3.816 2.101 4.061 . 0 0 "[ . 1 . 2]" 1
309 1 22 VAL MG2 1 23 ALA H 0.000 . 5.000 2.316 2.063 4.034 . 0 0 "[ . 1 . 2]" 1
310 1 22 VAL H 1 23 ALA HA 0.000 . 6.000 4.657 4.595 4.887 . 0 0 "[ . 1 . 2]" 1
311 1 22 VAL QG 1 24 ALA MB 0.000 . 4.500 2.444 2.114 2.804 . 0 0 "[ . 1 . 2]" 1
312 1 22 VAL QG 1 24 ALA H 0.000 . 6.000 3.351 2.891 3.884 . 0 0 "[ . 1 . 2]" 1
313 1 22 VAL H 1 34 ILE HA 0.000 . 6.000 3.769 3.495 4.163 . 0 0 "[ . 1 . 2]" 1
314 1 22 VAL H 1 34 ILE MG 0.000 . 5.000 2.792 2.301 3.249 . 0 0 "[ . 1 . 2]" 1
315 1 22 VAL MG1 1 35 TYR QB 0.000 . 5.000 1.914 1.749 3.588 . 0 0 "[ . 1 . 2]" 1
316 1 22 VAL MG2 1 35 TYR QB 0.000 . 5.000 3.719 1.836 4.035 . 0 0 "[ . 1 . 2]" 1
317 1 22 VAL MG1 1 35 TYR QD 0.000 . 5.000 2.670 2.320 3.598 . 0 0 "[ . 1 . 2]" 1
318 1 22 VAL MG1 1 35 TYR QE 0.000 . 5.000 4.546 4.317 4.845 . 0 0 "[ . 1 . 2]" 1
319 1 22 VAL MG2 1 35 TYR QD 0.000 . 5.000 3.627 3.344 4.007 . 0 0 "[ . 1 . 2]" 1
320 1 22 VAL MG2 1 35 TYR QE 0.000 . 5.000 5.018 4.997 5.041 0.041 9 0 "[ . 1 . 2]" 1
321 1 22 VAL QG 1 35 TYR H 0.000 . 5.000 2.816 2.444 3.111 . 0 0 "[ . 1 . 2]" 1
322 1 22 VAL MG1 1 35 TYR H 0.000 . 5.000 2.918 2.458 4.306 . 0 0 "[ . 1 . 2]" 1
323 1 22 VAL MG2 1 35 TYR H 0.000 . 5.000 4.343 2.970 4.754 . 0 0 "[ . 1 . 2]" 1
324 1 22 VAL H 1 35 TYR QB 0.000 . 5.000 3.489 3.249 3.811 . 0 0 "[ . 1 . 2]" 1
325 1 22 VAL H 1 35 TYR QD 0.000 . 6.000 4.617 3.954 5.040 . 0 0 "[ . 1 . 2]" 1
326 1 22 VAL H 1 36 VAL HA 0.000 . 5.000 4.056 3.756 4.455 . 0 0 "[ . 1 . 2]" 1
327 1 22 VAL HB 1 37 LYS HD3 0.000 . 5.000 3.609 2.605 5.001 0.001 15 0 "[ . 1 . 2]" 1
328 1 22 VAL HB 1 37 LYS HD2 0.000 . 5.000 3.297 1.959 4.990 . 0 0 "[ . 1 . 2]" 1
329 1 22 VAL HB 1 37 LYS H 0.000 . 6.000 5.117 4.219 5.939 . 0 0 "[ . 1 . 2]" 1
330 1 22 VAL QG 1 37 LYS QD 0.000 . 4.000 2.780 1.900 3.911 . 0 0 "[ . 1 . 2]" 1
331 1 22 VAL MG1 1 37 LYS QE 0.000 . 4.500 3.807 2.322 4.486 . 0 0 "[ . 1 . 2]" 1
332 1 22 VAL MG2 1 37 LYS QE 0.000 . 4.500 4.065 3.091 4.496 . 0 0 "[ . 1 . 2]" 1
333 1 22 VAL HA 1 70 GLN HE21 0.000 . 4.000 3.477 2.235 4.336 0.336 6 0 "[ . 1 . 2]" 1
334 1 22 VAL HA 1 70 GLN HE22 0.000 . 4.000 3.369 2.557 4.507 0.507 16 1 "[ . 1 .+ 2]" 1
335 1 22 VAL QG 1 70 GLN QE 0.000 . 6.000 3.853 3.300 4.307 . 0 0 "[ . 1 . 2]" 1
336 1 22 VAL HA 1 70 GLN HG3 0.000 . 6.000 3.122 2.345 3.695 . 0 0 "[ . 1 . 2]" 1
337 1 22 VAL HA 1 70 GLN HG2 0.000 . 6.000 4.436 3.790 4.989 . 0 0 "[ . 1 . 2]" 1
338 1 22 VAL H 1 70 GLN QE 0.000 . 6.000 4.625 3.809 5.154 . 0 0 "[ . 1 . 2]" 1
339 1 22 VAL H 1 23 ALA H 0.000 . 5.000 4.285 4.207 4.457 . 0 0 "[ . 1 . 2]" 1
340 1 22 VAL H 1 35 TYR H 0.000 . 4.000 2.656 2.166 3.068 . 0 0 "[ . 1 . 2]" 1
341 1 23 ALA H 1 23 ALA MB 0.000 . 3.000 2.313 2.226 2.687 . 0 0 "[ . 1 . 2]" 1
342 1 23 ALA HA 1 24 ALA MB 0.000 . 5.000 4.122 3.982 4.262 . 0 0 "[ . 1 . 2]" 1
343 1 23 ALA HA 1 24 ALA H 0.000 . 3.000 2.218 2.159 2.330 . 0 0 "[ . 1 . 2]" 1
344 1 23 ALA MB 1 24 ALA HA 0.000 . 5.000 4.099 3.949 4.211 . 0 0 "[ . 1 . 2]" 1
345 1 23 ALA MB 1 24 ALA H 0.000 . 4.000 3.480 3.157 3.653 . 0 0 "[ . 1 . 2]" 1
346 1 23 ALA HA 1 25 LYS H 0.000 . 6.000 6.409 6.386 6.440 0.440 15 0 "[ . 1 . 2]" 1
347 1 23 ALA MB 1 32 LEU QD 0.000 . 4.000 2.499 2.026 3.214 . 0 0 "[ . 1 . 2]" 1
348 1 23 ALA HA 1 33 GLY H 0.000 . 5.000 4.683 4.327 4.947 . 0 0 "[ . 1 . 2]" 1
349 1 23 ALA HA 1 34 ILE HA 0.000 . 4.000 2.764 2.187 3.398 . 0 0 "[ . 1 . 2]" 1
350 1 23 ALA HA 1 34 ILE MD 0.000 . 4.000 2.788 2.235 3.539 . 0 0 "[ . 1 . 2]" 1
351 1 23 ALA HA 1 34 ILE MG 0.000 . 5.000 4.150 3.794 4.852 . 0 0 "[ . 1 . 2]" 1
352 1 23 ALA HA 1 34 ILE H 0.000 . 6.000 4.891 4.521 5.369 . 0 0 "[ . 1 . 2]" 1
353 1 23 ALA MB 1 34 ILE HA 0.000 . 5.000 3.749 3.432 4.209 . 0 0 "[ . 1 . 2]" 1
354 1 23 ALA MB 1 34 ILE MD 0.000 . 4.000 2.513 1.938 3.284 . 0 0 "[ . 1 . 2]" 1
355 1 23 ALA H 1 34 ILE MD 0.000 . 6.000 4.392 3.762 5.532 . 0 0 "[ . 1 . 2]" 1
356 1 23 ALA HA 1 35 TYR H 0.000 . 4.500 3.633 3.258 3.981 . 0 0 "[ . 1 . 2]" 1
357 1 23 ALA MB 1 35 TYR H 0.000 . 5.000 4.839 4.632 5.013 0.013 9 0 "[ . 1 . 2]" 1
358 1 23 ALA MB 1 69 SER HA 0.000 . 5.000 2.660 2.145 3.150 . 0 0 "[ . 1 . 2]" 1
359 1 23 ALA HA 1 70 GLN H 0.000 . 6.000 5.197 4.626 5.649 . 0 0 "[ . 1 . 2]" 1
360 1 23 ALA MB 1 70 GLN HA 0.000 . 4.500 2.541 1.966 3.046 . 0 0 "[ . 1 . 2]" 1
361 1 23 ALA MB 1 70 GLN QB 0.000 . 4.000 2.321 1.909 2.709 . 0 0 "[ . 1 . 2]" 1
362 1 23 ALA MB 1 70 GLN HG3 0.000 . 5.000 3.338 2.019 4.239 . 0 0 "[ . 1 . 2]" 1
363 1 23 ALA MB 1 70 GLN HG2 0.000 . 5.000 4.398 3.418 4.798 . 0 0 "[ . 1 . 2]" 1
364 1 23 ALA MB 1 70 GLN H 0.000 . 4.000 2.371 1.992 2.786 . 0 0 "[ . 1 . 2]" 1
365 1 23 ALA H 1 70 GLN QB 0.000 . 4.500 2.885 2.139 3.976 . 0 0 "[ . 1 . 2]" 1
366 1 23 ALA H 1 70 GLN QG 0.000 . 6.000 3.404 2.765 3.968 . 0 0 "[ . 1 . 2]" 1
367 1 23 ALA MB 1 71 GLU H 0.000 . 6.000 4.462 4.106 4.911 . 0 0 "[ . 1 . 2]" 1
368 1 23 ALA H 1 24 ALA H 0.000 . 5.000 4.117 3.397 4.438 . 0 0 "[ . 1 . 2]" 1
369 1 24 ALA HA 1 25 LYS H 0.000 . 3.000 2.577 2.499 2.607 . 0 0 "[ . 1 . 2]" 1
370 1 24 ALA MB 1 25 LYS H 0.000 . 3.000 2.135 2.004 2.286 . 0 0 "[ . 1 . 2]" 1
371 1 24 ALA HA 1 32 LEU QD 0.000 . 4.000 2.593 2.242 2.994 . 0 0 "[ . 1 . 2]" 1
372 1 24 ALA H 1 32 LEU HA 0.000 . 5.000 4.543 3.866 5.029 0.029 6 0 "[ . 1 . 2]" 1
373 1 24 ALA H 1 32 LEU QD 0.000 . 4.000 3.643 2.197 4.006 0.006 17 0 "[ . 1 . 2]" 1
374 1 24 ALA H 1 32 LEU HG 0.000 . 5.000 3.426 2.904 5.008 0.008 20 0 "[ . 1 . 2]" 1
375 1 24 ALA MB 1 33 GLY H 0.000 . 5.000 4.938 4.627 5.020 0.020 15 0 "[ . 1 . 2]" 1
376 1 24 ALA H 1 33 GLY HA3 0.000 . 6.000 4.941 4.704 5.176 . 0 0 "[ . 1 . 2]" 1
377 1 24 ALA H 1 33 GLY HA2 0.000 . 6.000 5.318 4.940 5.661 . 0 0 "[ . 1 . 2]" 1
378 1 24 ALA H 1 34 ILE HA 0.000 . 5.000 4.003 3.139 4.542 . 0 0 "[ . 1 . 2]" 1
379 1 24 ALA H 1 34 ILE MD 0.000 . 5.000 4.410 4.047 4.984 . 0 0 "[ . 1 . 2]" 1
380 1 24 ALA MB 1 35 TYR QB 0.000 . 6.000 4.112 3.624 5.200 . 0 0 "[ . 1 . 2]" 1
381 1 24 ALA MB 1 35 TYR QD 0.000 . 4.000 2.775 1.928 3.964 . 0 0 "[ . 1 . 2]" 1
382 1 24 ALA MB 1 35 TYR QE 0.000 . 4.000 2.730 1.888 3.538 . 0 0 "[ . 1 . 2]" 1
383 1 24 ALA MB 1 35 TYR H 0.000 . 6.000 4.962 4.427 5.750 . 0 0 "[ . 1 . 2]" 1
384 1 24 ALA H 1 35 TYR QD 0.000 . 4.000 2.789 2.314 3.356 . 0 0 "[ . 1 . 2]" 1
385 1 24 ALA H 1 35 TYR QE 0.000 . 4.000 2.819 2.008 3.324 . 0 0 "[ . 1 . 2]" 1
386 1 24 ALA H 1 33 GLY H 0.000 . 4.000 3.744 3.390 3.977 . 0 0 "[ . 1 . 2]" 1
387 1 24 ALA H 1 25 LYS H 0.000 . 5.000 4.421 4.392 4.458 . 0 0 "[ . 1 . 2]" 1
388 1 25 LYS HA 1 25 LYS QD 0.000 . 4.500 3.847 3.283 4.206 . 0 0 "[ . 1 . 2]" 1
389 1 25 LYS HA 1 25 LYS QE 0.000 . 5.000 4.297 3.466 4.679 . 0 0 "[ . 1 . 2]" 1
390 1 25 LYS H 1 25 LYS HB3 0.000 . 4.000 3.098 2.592 3.458 . 0 0 "[ . 1 . 2]" 1
391 1 25 LYS H 1 25 LYS HB2 0.000 . 4.000 2.480 2.137 3.692 . 0 0 "[ . 1 . 2]" 1
392 1 25 LYS H 1 25 LYS QG 0.000 . 4.000 3.781 2.042 4.044 0.044 20 0 "[ . 1 . 2]" 1
393 1 25 LYS HA 1 26 GLY H 0.000 . 3.000 2.522 2.379 2.614 . 0 0 "[ . 1 . 2]" 1
394 1 25 LYS HB3 1 26 GLY H 0.000 . 4.000 2.782 2.249 3.618 . 0 0 "[ . 1 . 2]" 1
395 1 25 LYS HB2 1 26 GLY H 0.000 . 4.000 3.776 2.047 4.019 0.019 9 0 "[ . 1 . 2]" 1
396 1 25 LYS HG3 1 26 GLY H 0.000 . 4.500 3.413 2.228 4.170 . 0 0 "[ . 1 . 2]" 1
397 1 25 LYS HG2 1 26 GLY H 0.000 . 4.500 2.497 2.009 3.922 . 0 0 "[ . 1 . 2]" 1
398 1 25 LYS HA 1 29 GLN HE21 0.000 . 5.000 3.629 3.131 4.204 . 0 0 "[ . 1 . 2]" 1
399 1 25 LYS HA 1 29 GLN HE22 0.000 . 5.000 3.693 2.296 5.041 0.041 19 0 "[ . 1 . 2]" 1
400 1 25 LYS QE 1 31 LYS HA 0.000 . 4.500 3.886 3.052 4.504 0.004 1 0 "[ . 1 . 2]" 1
401 1 25 LYS QE 1 31 LYS H 0.000 . 6.000 3.919 2.458 5.189 . 0 0 "[ . 1 . 2]" 1
402 1 25 LYS HA 1 32 LEU QD 0.000 . 4.000 2.585 2.311 2.762 . 0 0 "[ . 1 . 2]" 1
403 1 25 LYS HB3 1 32 LEU HA 0.000 . 6.000 5.366 3.566 5.758 . 0 0 "[ . 1 . 2]" 1
404 1 25 LYS HB2 1 32 LEU HA 0.000 . 6.000 4.570 3.827 5.136 . 0 0 "[ . 1 . 2]" 1
405 1 25 LYS QD 1 32 LEU HA 0.000 . 6.000 4.914 3.565 5.757 . 0 0 "[ . 1 . 2]" 1
406 1 25 LYS QG 1 32 LEU HA 0.000 . 6.000 3.365 2.173 5.197 . 0 0 "[ . 1 . 2]" 1
407 1 25 LYS QB 1 32 LEU QD 0.000 . 4.000 2.523 2.017 3.064 . 0 0 "[ . 1 . 2]" 1
408 1 25 LYS QD 1 32 LEU QD 0.000 . 5.000 3.181 1.924 4.144 . 0 0 "[ . 1 . 2]" 1
409 1 25 LYS QE 1 32 LEU QD 0.000 . 4.000 3.158 2.108 4.017 0.017 9 0 "[ . 1 . 2]" 1
410 1 25 LYS HE3 1 32 LEU QD 0.000 . 5.000 3.509 2.309 4.305 . 0 0 "[ . 1 . 2]" 1
411 1 25 LYS HE2 1 32 LEU QD 0.000 . 5.000 3.956 2.125 4.839 . 0 0 "[ . 1 . 2]" 1
412 1 25 LYS HA 1 33 GLY H 0.000 . 4.500 3.472 2.903 3.900 . 0 0 "[ . 1 . 2]" 1
413 1 25 LYS QB 1 33 GLY H 0.000 . 6.000 5.280 4.692 5.848 . 0 0 "[ . 1 . 2]" 1
414 1 25 LYS H 1 35 TYR QE 0.000 . 6.000 4.038 3.230 4.759 . 0 0 "[ . 1 . 2]" 1
415 1 26 GLY H 1 26 GLY HA3 0.000 . 3.000 2.675 2.614 2.735 . 0 0 "[ . 1 . 2]" 1
416 1 26 GLY H 1 26 GLY HA2 0.000 . 3.000 2.901 2.862 2.927 . 0 0 "[ . 1 . 2]" 1
417 1 26 GLY HA3 1 27 ALA MB 0.000 . 5.000 4.183 4.104 4.675 . 0 0 "[ . 1 . 2]" 1
418 1 26 GLY HA2 1 27 ALA MB 0.000 . 5.000 4.241 4.068 4.336 . 0 0 "[ . 1 . 2]" 1
419 1 26 GLY HA3 1 27 ALA H 0.000 . 3.000 2.261 2.183 3.012 0.012 17 0 "[ . 1 . 2]" 1
420 1 26 GLY HA2 1 27 ALA H 0.000 . 3.000 2.989 2.252 3.059 0.059 1 0 "[ . 1 . 2]" 1
421 1 26 GLY H 1 27 ALA HA 0.000 . 4.500 4.623 4.584 4.657 0.157 17 0 "[ . 1 . 2]" 1
422 1 26 GLY HA3 1 29 GLN HE21 0.000 . 6.000 3.926 2.994 4.734 . 0 0 "[ . 1 . 2]" 1
423 1 26 GLY HA3 1 29 GLN HE22 0.000 . 6.000 4.605 3.808 5.091 . 0 0 "[ . 1 . 2]" 1
424 1 26 GLY HA2 1 29 GLN HE21 0.000 . 6.000 5.131 4.581 5.599 . 0 0 "[ . 1 . 2]" 1
425 1 26 GLY HA2 1 29 GLN HE22 0.000 . 6.000 5.873 5.514 6.055 0.055 17 0 "[ . 1 . 2]" 1
426 1 26 GLY HA3 1 29 GLN QB 0.000 . 5.000 3.766 2.982 4.045 . 0 0 "[ . 1 . 2]" 1
427 1 26 GLY HA2 1 29 GLN QB 0.000 . 5.000 4.849 4.173 5.012 0.012 2 0 "[ . 1 . 2]" 1
428 1 26 GLY H 1 29 GLN QB 0.000 . 4.000 2.978 2.394 3.264 . 0 0 "[ . 1 . 2]" 1
429 1 26 GLY H 1 29 GLN HB3 0.000 . 5.000 3.070 2.449 3.517 . 0 0 "[ . 1 . 2]" 1
430 1 26 GLY H 1 29 GLN HB2 0.000 . 5.000 4.219 3.337 5.003 0.003 15 0 "[ . 1 . 2]" 1
431 1 26 GLY H 1 29 GLN QG 0.000 . 5.000 4.518 3.525 5.016 0.016 13 0 "[ . 1 . 2]" 1
432 1 26 GLY H 1 29 GLN HE21 0.000 . 6.000 2.954 2.651 3.200 . 0 0 "[ . 1 . 2]" 1
433 1 26 GLY H 1 29 GLN HE22 0.000 . 6.000 3.953 2.982 4.868 . 0 0 "[ . 1 . 2]" 1
434 1 26 GLY H 1 32 LEU QD 0.000 . 4.500 4.539 4.509 4.569 0.069 15 0 "[ . 1 . 2]" 1
435 1 26 GLY H 1 35 TYR QE 0.000 . 5.000 4.995 4.892 5.029 0.029 15 0 "[ . 1 . 2]" 1
436 1 26 GLY H 1 29 GLN H 0.000 . 6.000 4.646 4.359 5.111 . 0 0 "[ . 1 . 2]" 1
437 1 27 ALA H 1 27 ALA HA 0.000 . 3.000 2.931 2.840 2.942 . 0 0 "[ . 1 . 2]" 1
438 1 27 ALA H 1 27 ALA MB 0.000 . 3.000 2.337 2.209 2.412 . 0 0 "[ . 1 . 2]" 1
439 1 27 ALA HA 1 28 GLY H 0.000 . 3.000 2.334 2.265 2.417 . 0 0 "[ . 1 . 2]" 1
440 1 27 ALA MB 1 28 GLY QA 0.000 . 5.000 3.510 3.452 3.604 . 0 0 "[ . 1 . 2]" 1
441 1 27 ALA MB 1 28 GLY H 0.000 . 3.000 2.560 2.326 2.772 . 0 0 "[ . 1 . 2]" 1
442 1 27 ALA HA 1 29 GLN H 0.000 . 4.000 3.112 3.046 3.144 . 0 0 "[ . 1 . 2]" 1
443 1 27 ALA MB 1 29 GLN H 0.000 . 4.000 4.145 4.107 4.171 0.171 4 0 "[ . 1 . 2]" 1
444 1 27 ALA H 1 29 GLN QB 0.000 . 6.000 3.940 3.836 4.123 . 0 0 "[ . 1 . 2]" 1
445 1 27 ALA H 1 29 GLN QG 0.000 . 6.000 5.919 5.638 6.030 0.030 9 0 "[ . 1 . 2]" 1
446 1 27 ALA H 1 28 GLY H 0.000 . 5.000 4.539 4.506 4.648 . 0 0 "[ . 1 . 2]" 1
447 1 28 GLY H 1 28 GLY HA3 0.000 . 3.000 2.807 2.795 2.822 . 0 0 "[ . 1 . 2]" 1
448 1 28 GLY H 1 28 GLY HA2 0.000 . 3.000 2.304 2.300 2.310 . 0 0 "[ . 1 . 2]" 1
449 1 28 GLY QA 1 29 GLN QB 0.000 . 5.000 4.016 3.853 4.180 . 0 0 "[ . 1 . 2]" 1
450 1 28 GLY QA 1 29 GLN H 0.000 . 3.000 2.856 2.816 2.882 . 0 0 "[ . 1 . 2]" 1
451 1 28 GLY HA3 1 29 GLN H 0.000 . 4.000 3.431 3.411 3.457 . 0 0 "[ . 1 . 2]" 1
452 1 28 GLY HA2 1 29 GLN H 0.000 . 4.000 3.056 2.984 3.108 . 0 0 "[ . 1 . 2]" 1
453 1 28 GLY H 1 29 GLN HA 0.000 . 6.000 5.277 5.245 5.304 . 0 0 "[ . 1 . 2]" 1
454 1 28 GLY H 1 29 GLN HB3 0.000 . 6.000 5.371 5.257 5.592 . 0 0 "[ . 1 . 2]" 1
455 1 28 GLY H 1 29 GLN HB2 0.000 . 6.000 4.990 4.645 5.244 . 0 0 "[ . 1 . 2]" 1
456 1 28 GLY H 1 29 GLN H 0.000 . 3.000 2.645 2.585 2.672 . 0 0 "[ . 1 . 2]" 1
457 1 29 GLN HA 1 29 GLN HG3 0.000 . 4.000 2.750 2.100 3.289 . 0 0 "[ . 1 . 2]" 1
458 1 29 GLN HA 1 29 GLN HG2 0.000 . 4.000 2.775 2.009 3.496 . 0 0 "[ . 1 . 2]" 1
459 1 29 GLN HA 1 29 GLN HE21 0.000 . 5.000 4.007 3.637 4.414 . 0 0 "[ . 1 . 2]" 1
460 1 29 GLN HA 1 29 GLN HE22 0.000 . 5.000 5.117 5.046 5.182 0.182 17 0 "[ . 1 . 2]" 1
461 1 29 GLN H 1 29 GLN HA 0.000 . 3.000 2.927 2.907 2.945 . 0 0 "[ . 1 . 2]" 1
462 1 29 GLN H 1 29 GLN QB 0.000 . 3.000 2.578 2.399 2.724 . 0 0 "[ . 1 . 2]" 1
463 1 29 GLN H 1 29 GLN HB3 0.000 . 4.000 2.951 2.862 3.166 . 0 0 "[ . 1 . 2]" 1
464 1 29 GLN H 1 29 GLN HB2 0.000 . 4.000 2.874 2.540 3.161 . 0 0 "[ . 1 . 2]" 1
465 1 29 GLN H 1 29 GLN QG 0.000 . 4.500 4.166 3.962 4.243 . 0 0 "[ . 1 . 2]" 1
466 1 29 GLN HA 1 30 ASP H 0.000 . 3.000 2.310 2.143 2.808 . 0 0 "[ . 1 . 2]" 1
467 1 29 GLN QB 1 30 ASP H 0.000 . 4.000 3.481 2.007 3.927 . 0 0 "[ . 1 . 2]" 1
468 1 29 GLN HB3 1 30 ASP H 0.000 . 5.000 3.755 2.019 4.297 . 0 0 "[ . 1 . 2]" 1
469 1 29 GLN HB2 1 30 ASP H 0.000 . 5.000 4.283 3.492 4.601 . 0 0 "[ . 1 . 2]" 1
470 1 29 GLN QG 1 30 ASP H 0.000 . 4.500 2.949 2.042 3.321 . 0 0 "[ . 1 . 2]" 1
471 1 29 GLN H 1 30 ASP QB 0.000 . 5.000 4.938 4.764 5.052 0.052 6 0 "[ . 1 . 2]" 1
472 1 29 GLN QB 1 31 LYS H 0.000 . 4.500 3.320 2.692 3.546 . 0 0 "[ . 1 . 2]" 1
473 1 29 GLN QG 1 31 LYS H 0.000 . 4.500 2.655 2.375 4.090 . 0 0 "[ . 1 . 2]" 1
474 1 29 GLN QG 1 31 LYS QD 0.000 . 6.000 4.365 1.938 6.007 0.007 17 0 "[ . 1 . 2]" 1
475 1 29 GLN QE 1 32 LEU HA 0.000 . 6.000 3.918 2.577 5.450 . 0 0 "[ . 1 . 2]" 1
476 1 29 GLN H 1 30 ASP H 0.000 . 4.000 4.033 3.851 4.227 0.227 9 0 "[ . 1 . 2]" 1
477 1 30 ASP H 1 30 ASP HA 0.000 . 3.000 2.887 2.799 2.926 . 0 0 "[ . 1 . 2]" 1
478 1 30 ASP H 1 30 ASP QB 0.000 . 3.000 2.465 2.260 2.952 . 0 0 "[ . 1 . 2]" 1
479 1 30 ASP HA 1 31 LYS H 0.000 . 3.000 3.021 2.824 3.131 0.131 14 0 "[ . 1 . 2]" 1
480 1 30 ASP QB 1 31 LYS QD 0.000 . 4.000 3.426 2.828 4.026 0.026 10 0 "[ . 1 . 2]" 1
481 1 30 ASP QB 1 31 LYS QG 0.000 . 4.500 3.129 2.624 3.594 . 0 0 "[ . 1 . 2]" 1
482 1 30 ASP QB 1 31 LYS H 0.000 . 4.000 3.720 3.553 3.872 . 0 0 "[ . 1 . 2]" 1
483 1 30 ASP H 1 31 LYS H 0.000 . 3.000 2.542 1.789 3.021 0.021 7 0 "[ . 1 . 2]" 1
484 1 31 LYS HA 1 31 LYS QD 0.000 . 4.000 2.845 2.090 4.104 0.104 10 0 "[ . 1 . 2]" 1
485 1 31 LYS HA 1 31 LYS QG 0.000 . 4.000 2.881 2.522 3.135 . 0 0 "[ . 1 . 2]" 1
486 1 31 LYS H 1 31 LYS HA 0.000 . 3.000 2.918 2.874 2.944 . 0 0 "[ . 1 . 2]" 1
487 1 31 LYS H 1 31 LYS QB 0.000 . 3.000 2.839 2.703 3.068 0.068 16 0 "[ . 1 . 2]" 1
488 1 31 LYS H 1 31 LYS QG 0.000 . 3.000 2.883 2.509 3.071 0.071 16 0 "[ . 1 . 2]" 1
489 1 31 LYS H 1 31 LYS QE 0.000 . 6.000 4.953 3.342 5.868 . 0 0 "[ . 1 . 2]" 1
490 1 31 LYS HA 1 32 LEU H 0.000 . 3.000 2.871 2.709 3.029 0.029 2 0 "[ . 1 . 2]" 1
491 1 31 LYS HB3 1 32 LEU H 0.000 . 3.000 2.021 1.908 2.308 . 0 0 "[ . 1 . 2]" 1
492 1 31 LYS HB2 1 32 LEU H 0.000 . 3.000 2.559 2.283 2.909 . 0 0 "[ . 1 . 2]" 1
493 1 31 LYS QG 1 66 VAL HA 0.000 . 5.000 4.853 4.520 5.011 0.011 10 0 "[ . 1 . 2]" 1
494 1 31 LYS QE 1 66 VAL QG 0.000 . 5.000 3.302 2.060 4.240 . 0 0 "[ . 1 . 2]" 1
495 1 31 LYS QG 1 66 VAL QG 0.000 . 5.000 2.245 1.858 3.320 . 0 0 "[ . 1 . 2]" 1
496 1 31 LYS HB3 1 67 GLY H 0.000 . 5.000 3.572 2.863 4.117 . 0 0 "[ . 1 . 2]" 1
497 1 31 LYS HB2 1 67 GLY H 0.000 . 5.000 4.123 3.663 4.920 . 0 0 "[ . 1 . 2]" 1
498 1 31 LYS HB3 1 67 GLY HA3 0.000 . 5.000 3.034 2.459 3.576 . 0 0 "[ . 1 . 2]" 1
499 1 31 LYS HB3 1 67 GLY HA2 0.000 . 5.000 2.428 1.902 3.453 . 0 0 "[ . 1 . 2]" 1
500 1 31 LYS HB2 1 67 GLY HA3 0.000 . 5.000 4.506 3.991 4.976 . 0 0 "[ . 1 . 2]" 1
501 1 31 LYS HB2 1 67 GLY HA2 0.000 . 5.000 3.821 3.318 4.369 . 0 0 "[ . 1 . 2]" 1
502 1 31 LYS QG 1 67 GLY HA3 0.000 . 6.000 4.218 3.103 5.004 . 0 0 "[ . 1 . 2]" 1
503 1 31 LYS QG 1 67 GLY HA2 0.000 . 6.000 4.255 3.624 5.153 . 0 0 "[ . 1 . 2]" 1
504 1 31 LYS H 1 32 LEU H 0.000 . 5.000 4.244 4.100 4.350 . 0 0 "[ . 1 . 2]" 1
505 1 32 LEU HA 1 32 LEU MD1 0.000 . 4.000 1.996 1.891 2.731 . 0 0 "[ . 1 . 2]" 1
506 1 32 LEU HA 1 32 LEU MD2 0.000 . 4.000 3.600 1.859 3.780 . 0 0 "[ . 1 . 2]" 1
507 1 32 LEU HA 1 32 LEU HG 0.000 . 4.000 2.764 2.605 3.630 . 0 0 "[ . 1 . 2]" 1
508 1 32 LEU H 1 32 LEU QD 0.000 . 4.000 3.488 3.182 3.763 . 0 0 "[ . 1 . 2]" 1
509 1 32 LEU HA 1 33 GLY H 0.000 . 3.000 2.162 2.135 2.217 . 0 0 "[ . 1 . 2]" 1
510 1 32 LEU QB 1 33 GLY H 0.000 . 4.000 3.661 3.124 3.804 . 0 0 "[ . 1 . 2]" 1
511 1 32 LEU QD 1 33 GLY H 0.000 . 4.000 3.307 1.979 3.688 . 0 0 "[ . 1 . 2]" 1
512 1 32 LEU HG 1 33 GLY H 0.000 . 4.500 3.744 3.034 4.518 0.018 6 0 "[ . 1 . 2]" 1
513 1 32 LEU H 1 66 VAL QG 0.000 . 6.000 3.360 2.578 3.922 . 0 0 "[ . 1 . 2]" 1
514 1 32 LEU QB 1 67 GLY HA3 0.000 . 5.000 4.356 3.544 5.012 0.012 3 0 "[ . 1 . 2]" 1
515 1 32 LEU QB 1 67 GLY HA2 0.000 . 5.000 2.885 2.035 3.536 . 0 0 "[ . 1 . 2]" 1
516 1 32 LEU QD 1 67 GLY QA 0.000 . 5.000 3.985 3.261 4.474 . 0 0 "[ . 1 . 2]" 1
517 1 32 LEU H 1 67 GLY QA 0.000 . 4.000 2.112 1.943 2.499 . 0 0 "[ . 1 . 2]" 1
518 1 32 LEU H 1 33 GLY H 0.000 . 5.000 4.189 3.882 4.495 . 0 0 "[ . 1 . 2]" 1
519 1 32 LEU H 1 67 GLY H 0.000 . 5.000 2.890 2.302 3.825 . 0 0 "[ . 1 . 2]" 1
520 1 33 GLY QA 1 34 ILE MD 0.000 . 5.000 3.563 2.580 3.982 . 0 0 "[ . 1 . 2]" 1
521 1 33 GLY HA3 1 34 ILE H 0.000 . 3.000 2.807 2.471 3.002 0.002 20 0 "[ . 1 . 2]" 1
522 1 33 GLY HA2 1 34 ILE H 0.000 . 3.000 2.363 2.220 2.638 . 0 0 "[ . 1 . 2]" 1
523 1 33 GLY H 1 34 ILE MD 0.000 . 6.000 4.927 4.381 5.207 . 0 0 "[ . 1 . 2]" 1
524 1 33 GLY HA3 1 35 TYR QE 0.000 . 5.000 3.673 3.242 3.962 . 0 0 "[ . 1 . 2]" 1
525 1 33 GLY HA2 1 35 TYR QE 0.000 . 5.000 4.957 4.633 5.029 0.029 16 0 "[ . 1 . 2]" 1
526 1 33 GLY H 1 35 TYR QD 0.000 . 5.000 4.902 4.601 5.039 0.039 14 0 "[ . 1 . 2]" 1
527 1 33 GLY H 1 35 TYR QE 0.000 . 4.000 3.364 2.634 4.005 0.005 4 0 "[ . 1 . 2]" 1
528 1 33 GLY HA3 1 56 GLN HE21 0.000 . 5.000 2.590 2.041 3.193 . 0 0 "[ . 1 . 2]" 1
529 1 33 GLY HA3 1 56 GLN HE22 0.000 . 5.000 3.587 3.023 4.148 . 0 0 "[ . 1 . 2]" 1
530 1 33 GLY HA2 1 56 GLN HE21 0.000 . 5.000 3.809 2.818 4.659 . 0 0 "[ . 1 . 2]" 1
531 1 33 GLY HA2 1 56 GLN HE22 0.000 . 5.000 4.562 3.578 5.001 0.001 7 0 "[ . 1 . 2]" 1
532 1 33 GLY QA 1 66 VAL HA 0.000 . 6.000 3.307 1.970 4.004 . 0 0 "[ . 1 . 2]" 1
533 1 33 GLY QA 1 66 VAL QG 0.000 . 5.000 3.507 2.913 4.286 . 0 0 "[ . 1 . 2]" 1
534 1 34 ILE HA 1 34 ILE MD 0.000 . 4.000 2.112 1.894 2.735 . 0 0 "[ . 1 . 2]" 1
535 1 34 ILE H 1 34 ILE MD 0.000 . 5.000 3.088 2.078 3.408 . 0 0 "[ . 1 . 2]" 1
536 1 34 ILE H 1 34 ILE HG13 0.000 . 5.000 3.797 3.638 3.966 . 0 0 "[ . 1 . 2]" 1
537 1 34 ILE H 1 34 ILE HG12 0.000 . 5.000 2.479 2.123 4.156 . 0 0 "[ . 1 . 2]" 1
538 1 34 ILE H 1 35 TYR QE 0.000 . 6.000 5.151 4.574 5.506 . 0 0 "[ . 1 . 2]" 1
539 1 34 ILE H 1 35 TYR QD 0.000 . 6.000 4.965 4.459 5.254 . 0 0 "[ . 1 . 2]" 1
540 1 34 ILE HA 1 35 TYR H 0.000 . 3.000 2.219 2.163 2.318 . 0 0 "[ . 1 . 2]" 1
541 1 34 ILE HB 1 35 TYR H 0.000 . 6.000 4.196 3.613 4.532 . 0 0 "[ . 1 . 2]" 1
542 1 34 ILE MD 1 35 TYR H 0.000 . 4.500 3.911 3.703 4.553 0.053 19 0 "[ . 1 . 2]" 1
543 1 34 ILE MG 1 35 TYR H 0.000 . 4.000 2.836 1.992 3.426 . 0 0 "[ . 1 . 2]" 1
544 1 34 ILE H 1 56 GLN QG 0.000 . 5.000 4.229 3.617 4.875 . 0 0 "[ . 1 . 2]" 1
545 1 34 ILE H 1 56 GLN HE21 0.000 . 6.000 3.644 2.887 4.283 . 0 0 "[ . 1 . 2]" 1
546 1 34 ILE H 1 56 GLN HE22 0.000 . 6.000 4.643 3.780 6.000 0.000 4 0 "[ . 1 . 2]" 1
547 1 34 ILE HA 1 57 LEU H 0.000 . 6.000 4.834 4.471 5.208 . 0 0 "[ . 1 . 2]" 1
548 1 34 ILE HB 1 57 LEU H 0.000 . 6.000 3.737 3.062 4.400 . 0 0 "[ . 1 . 2]" 1
549 1 34 ILE MG 1 57 LEU H 0.000 . 5.000 4.352 3.614 4.918 . 0 0 "[ . 1 . 2]" 1
550 1 34 ILE HB 1 65 LEU QD 0.000 . 5.000 3.763 2.544 4.963 . 0 0 "[ . 1 . 2]" 1
551 1 34 ILE MD 1 68 LEU H 0.000 . 6.000 4.580 3.871 5.286 . 0 0 "[ . 1 . 2]" 1
552 1 34 ILE MD 1 70 GLN HA 0.000 . 4.500 3.045 2.500 4.366 . 0 0 "[ . 1 . 2]" 1
553 1 34 ILE MD 1 70 GLN QG 0.000 . 6.000 3.820 3.153 5.036 . 0 0 "[ . 1 . 2]" 1
554 1 34 ILE MD 1 73 ALA HA 0.000 . 6.000 3.956 3.189 4.187 . 0 0 "[ . 1 . 2]" 1
555 1 34 ILE MD 1 73 ALA MB 0.000 . 4.000 1.854 1.736 2.389 . 0 0 "[ . 1 . 2]" 1
556 1 34 ILE MD 1 73 ALA H 0.000 . 5.000 3.691 3.394 4.543 . 0 0 "[ . 1 . 2]" 1
557 1 34 ILE MD 1 74 ALA H 0.000 . 6.000 4.448 4.061 5.622 . 0 0 "[ . 1 . 2]" 1
558 1 34 ILE H 1 35 TYR H 0.000 . 6.000 4.337 4.113 4.571 . 0 0 "[ . 1 . 2]" 1
559 1 34 ILE H 1 57 LEU H 0.000 . 6.000 3.622 3.273 4.028 . 0 0 "[ . 1 . 2]" 1
560 1 35 TYR HA 1 35 TYR QE 0.000 . 5.000 4.587 4.345 4.775 . 0 0 "[ . 1 . 2]" 1
561 1 35 TYR H 1 35 TYR QD 0.000 . 4.000 2.826 2.242 3.284 . 0 0 "[ . 1 . 2]" 1
562 1 35 TYR H 1 35 TYR QE 0.000 . 5.000 4.616 4.264 5.009 0.009 2 0 "[ . 1 . 2]" 1
563 1 35 TYR HA 1 36 VAL H 0.000 . 3.000 2.310 2.164 2.458 . 0 0 "[ . 1 . 2]" 1
564 1 35 TYR QB 1 36 VAL H 0.000 . 4.500 2.601 2.285 2.983 . 0 0 "[ . 1 . 2]" 1
565 1 35 TYR QD 1 36 VAL H 0.000 . 5.000 3.867 3.824 3.928 . 0 0 "[ . 1 . 2]" 1
566 1 35 TYR QE 1 36 VAL H 0.000 . 6.000 6.031 5.953 6.069 0.069 10 0 "[ . 1 . 2]" 1
567 1 35 TYR HA 1 55 ASP H 0.000 . 6.000 4.821 4.562 5.527 . 0 0 "[ . 1 . 2]" 1
568 1 35 TYR HA 1 56 GLN HA 0.000 . 4.000 2.120 1.921 2.417 . 0 0 "[ . 1 . 2]" 1
569 1 35 TYR HA 1 56 GLN H 0.000 . 6.000 4.669 4.452 5.007 . 0 0 "[ . 1 . 2]" 1
570 1 35 TYR QD 1 56 GLN H 0.000 . 6.000 4.549 4.001 4.874 . 0 0 "[ . 1 . 2]" 1
571 1 35 TYR QE 1 56 GLN H 0.000 . 6.000 5.778 5.125 6.029 0.029 13 0 "[ . 1 . 2]" 1
572 1 35 TYR H 1 56 GLN HA 0.000 . 6.000 4.744 4.358 5.173 . 0 0 "[ . 1 . 2]" 1
573 1 35 TYR HA 1 57 LEU H 0.000 . 4.000 3.135 2.686 3.617 . 0 0 "[ . 1 . 2]" 1
574 1 35 TYR QD 1 57 LEU H 0.000 . 5.000 4.032 2.948 4.520 . 0 0 "[ . 1 . 2]" 1
575 1 35 TYR QE 1 57 LEU H 0.000 . 5.000 4.859 4.109 5.035 0.035 7 0 "[ . 1 . 2]" 1
576 1 36 VAL H 1 36 VAL HB 0.000 . 4.000 2.663 2.626 2.729 . 0 0 "[ . 1 . 2]" 1
577 1 36 VAL H 1 36 VAL MG1 0.000 . 4.000 3.849 3.807 3.891 . 0 0 "[ . 1 . 2]" 1
578 1 36 VAL H 1 36 VAL MG2 0.000 . 4.000 2.379 2.129 2.685 . 0 0 "[ . 1 . 2]" 1
579 1 36 VAL HA 1 37 LYS H 0.000 . 3.000 2.156 2.131 2.204 . 0 0 "[ . 1 . 2]" 1
580 1 36 VAL HB 1 37 LYS H 0.000 . 6.000 4.244 3.986 4.402 . 0 0 "[ . 1 . 2]" 1
581 1 36 VAL QG 1 37 LYS HA 0.000 . 6.000 4.044 3.628 4.280 . 0 0 "[ . 1 . 2]" 1
582 1 36 VAL QG 1 37 LYS H 0.000 . 4.500 2.835 2.339 3.160 . 0 0 "[ . 1 . 2]" 1
583 1 36 VAL QG 1 38 SER HA 0.000 . 5.000 3.446 3.133 4.103 . 0 0 "[ . 1 . 2]" 1
584 1 36 VAL QG 1 38 SER H 0.000 . 4.000 2.642 2.444 2.839 . 0 0 "[ . 1 . 2]" 1
585 1 36 VAL MG1 1 38 SER H 0.000 . 5.000 2.651 2.449 2.855 . 0 0 "[ . 1 . 2]" 1
586 1 36 VAL MG2 1 38 SER H 0.000 . 5.000 5.021 4.998 5.040 0.040 2 0 "[ . 1 . 2]" 1
587 1 36 VAL HB 1 39 VAL QG 0.000 . 6.000 4.465 4.072 4.838 . 0 0 "[ . 1 . 2]" 1
588 1 36 VAL HB 1 51 LEU QD 0.000 . 5.000 4.164 3.521 4.783 . 0 0 "[ . 1 . 2]" 1
589 1 36 VAL HB 1 53 ALA HA 0.000 . 4.000 3.443 2.968 3.765 . 0 0 "[ . 1 . 2]" 1
590 1 36 VAL HB 1 53 ALA MB 0.000 . 4.500 4.828 4.365 5.026 0.526 10 5 "[ *. + -.* *]" 1
591 1 36 VAL QG 1 53 ALA HA 0.000 . 4.000 2.459 2.015 2.886 . 0 0 "[ . 1 . 2]" 1
592 1 36 VAL QG 1 53 ALA MB 0.000 . 5.000 3.564 3.071 3.947 . 0 0 "[ . 1 . 2]" 1
593 1 36 VAL HB 1 54 GLY H 0.000 . 4.000 3.280 2.932 3.566 . 0 0 "[ . 1 . 2]" 1
594 1 36 VAL QG 1 54 GLY QA 0.000 . 5.000 4.376 4.099 4.631 . 0 0 "[ . 1 . 2]" 1
595 1 36 VAL QG 1 54 GLY H 0.000 . 4.000 3.260 2.742 3.655 . 0 0 "[ . 1 . 2]" 1
596 1 36 VAL MG1 1 54 GLY H 0.000 . 5.000 3.320 2.764 3.759 . 0 0 "[ . 1 . 2]" 1
597 1 36 VAL MG2 1 54 GLY H 0.000 . 5.000 4.783 4.501 4.991 . 0 0 "[ . 1 . 2]" 1
598 1 36 VAL HB 1 55 ASP H 0.000 . 4.000 2.095 1.918 2.444 . 0 0 "[ . 1 . 2]" 1
599 1 36 VAL QG 1 55 ASP HB3 0.000 . 5.000 2.862 2.301 3.801 . 0 0 "[ . 1 . 2]" 1
600 1 36 VAL QG 1 55 ASP HB2 0.000 . 5.000 2.551 2.063 3.266 . 0 0 "[ . 1 . 2]" 1
601 1 36 VAL MG1 1 55 ASP H 0.000 . 4.000 3.592 3.269 3.845 . 0 0 "[ . 1 . 2]" 1
602 1 36 VAL MG2 1 55 ASP H 0.000 . 4.000 3.414 3.249 3.667 . 0 0 "[ . 1 . 2]" 1
603 1 36 VAL H 1 56 GLN HA 0.000 . 5.000 3.328 2.973 3.523 . 0 0 "[ . 1 . 2]" 1
604 1 36 VAL H 1 37 LYS H 0.000 . 5.000 4.306 4.169 4.447 . 0 0 "[ . 1 . 2]" 1
605 1 36 VAL H 1 55 ASP H 0.000 . 5.000 2.767 2.526 3.533 . 0 0 "[ . 1 . 2]" 1
606 1 37 LYS HA 1 37 LYS QD 0.000 . 5.000 3.974 2.755 4.246 . 0 0 "[ . 1 . 2]" 1
607 1 37 LYS HA 1 37 LYS QE 0.000 . 6.000 4.563 3.085 5.676 . 0 0 "[ . 1 . 2]" 1
608 1 37 LYS H 1 37 LYS QG 0.000 . 5.000 2.689 2.040 3.933 . 0 0 "[ . 1 . 2]" 1
609 1 37 LYS HA 1 38 SER H 0.000 . 4.000 3.537 3.508 3.558 . 0 0 "[ . 1 . 2]" 1
610 1 37 LYS HB3 1 38 SER H 0.000 . 4.000 3.584 2.699 4.053 0.053 20 0 "[ . 1 . 2]" 1
611 1 37 LYS HB2 1 38 SER H 0.000 . 4.000 3.243 2.625 4.030 0.030 8 0 "[ . 1 . 2]" 1
612 1 37 LYS QE 1 38 SER QB 0.000 . 5.000 4.721 3.884 4.988 . 0 0 "[ . 1 . 2]" 1
613 1 37 LYS QG 1 38 SER QB 0.000 . 6.000 4.114 2.488 5.252 . 0 0 "[ . 1 . 2]" 1
614 1 37 LYS QG 1 38 SER H 0.000 . 5.000 3.503 1.934 4.512 . 0 0 "[ . 1 . 2]" 1
615 1 37 LYS H 1 38 SER QB 0.000 . 6.000 4.731 4.234 5.027 . 0 0 "[ . 1 . 2]" 1
616 1 37 LYS HA 1 54 GLY H 0.000 . 5.000 3.193 2.576 3.727 . 0 0 "[ . 1 . 2]" 1
617 1 37 LYS H 1 54 GLY QA 0.000 . 6.000 5.531 5.015 5.801 . 0 0 "[ . 1 . 2]" 1
618 1 37 LYS H 1 38 SER H 0.000 . 4.000 2.372 1.991 2.711 . 0 0 "[ . 1 . 2]" 1
619 1 38 SER HA 1 39 VAL H 0.000 . 3.000 2.438 2.302 2.595 . 0 0 "[ . 1 . 2]" 1
620 1 38 SER QB 1 39 VAL H 0.000 . 4.000 2.873 2.189 3.370 . 0 0 "[ . 1 . 2]" 1
621 1 38 SER HA 1 53 ALA MB 0.000 . 3.000 2.161 1.872 2.726 . 0 0 "[ . 1 . 2]" 1
622 1 38 SER QB 1 53 ALA MB 0.000 . 4.000 3.623 2.949 4.457 0.457 8 0 "[ . 1 . 2]" 1
623 1 38 SER QB 1 53 ALA HA 0.000 . 5.000 5.035 4.285 5.986 0.986 8 2 "[ . + 1 - . 2]" 1
624 1 38 SER H 1 39 VAL H 0.000 . 6.000 4.373 4.311 4.446 . 0 0 "[ . 1 . 2]" 1
625 1 39 VAL H 1 39 VAL HB 0.000 . 4.000 2.820 2.756 2.907 . 0 0 "[ . 1 . 2]" 1
626 1 39 VAL H 1 39 VAL QG 0.000 . 3.000 2.679 2.538 2.829 . 0 0 "[ . 1 . 2]" 1
627 1 39 VAL H 1 39 VAL MG1 0.000 . 4.000 3.933 3.907 3.967 . 0 0 "[ . 1 . 2]" 1
628 1 39 VAL H 1 39 VAL MG2 0.000 . 4.000 2.727 2.571 2.897 . 0 0 "[ . 1 . 2]" 1
629 1 39 VAL HA 1 40 VAL H 0.000 . 3.000 2.191 2.138 2.301 . 0 0 "[ . 1 . 2]" 1
630 1 39 VAL HB 1 40 VAL H 0.000 . 5.000 4.030 3.696 4.305 . 0 0 "[ . 1 . 2]" 1
631 1 39 VAL QG 1 40 VAL H 0.000 . 5.000 2.423 2.083 2.927 . 0 0 "[ . 1 . 2]" 1
632 1 39 VAL HB 1 45 ALA MB 0.000 . 6.000 4.931 4.231 5.412 . 0 0 "[ . 1 . 2]" 1
633 1 39 VAL QG 1 45 ALA MB 0.000 . 4.000 2.505 2.022 2.913 . 0 0 "[ . 1 . 2]" 1
634 1 39 VAL MG1 1 45 ALA MB 0.000 . 5.000 2.572 2.054 3.038 . 0 0 "[ . 1 . 2]" 1
635 1 39 VAL MG2 1 45 ALA MB 0.000 . 5.000 3.520 3.015 4.157 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL HB 1 46 ASP QB 0.000 . 6.000 3.938 3.145 4.373 . 0 0 "[ . 1 . 2]" 1
637 1 39 VAL QG 1 46 ASP HA 0.000 . 4.000 2.929 2.270 3.670 . 0 0 "[ . 1 . 2]" 1
638 1 39 VAL QG 1 46 ASP QB 0.000 . 4.000 2.168 1.779 2.474 . 0 0 "[ . 1 . 2]" 1
639 1 39 VAL MG1 1 46 ASP QB 0.000 . 5.000 2.173 1.782 2.483 . 0 0 "[ . 1 . 2]" 1
640 1 39 VAL MG2 1 46 ASP QB 0.000 . 5.000 4.470 3.795 4.877 . 0 0 "[ . 1 . 2]" 1
641 1 39 VAL QG 1 47 VAL H 0.000 . 5.000 4.741 4.355 4.963 . 0 0 "[ . 1 . 2]" 1
642 1 39 VAL HB 1 52 ALA MB 0.000 . 6.000 5.334 4.491 5.987 . 0 0 "[ . 1 . 2]" 1
643 1 39 VAL QG 1 52 ALA HA 0.000 . 4.000 2.810 1.988 3.271 . 0 0 "[ . 1 . 2]" 1
644 1 39 VAL MG1 1 52 ALA HA 0.000 . 5.000 4.580 3.114 5.007 0.007 12 0 "[ . 1 . 2]" 1
645 1 39 VAL MG2 1 52 ALA HA 0.000 . 5.000 2.839 2.011 3.321 . 0 0 "[ . 1 . 2]" 1
646 1 39 VAL QG 1 52 ALA MB 0.000 . 5.000 3.897 3.148 4.263 . 0 0 "[ . 1 . 2]" 1
647 1 39 VAL QG 1 52 ALA H 0.000 . 5.000 4.316 3.344 4.859 . 0 0 "[ . 1 . 2]" 1
648 1 39 VAL QG 1 53 ALA HA 0.000 . 5.000 3.257 2.508 3.777 . 0 0 "[ . 1 . 2]" 1
649 1 39 VAL H 1 53 ALA HA 0.000 . 5.000 4.717 3.979 5.515 0.515 8 1 "[ . + 1 . 2]" 1
650 1 39 VAL H 1 53 ALA MB 0.000 . 4.000 3.416 2.592 3.968 . 0 0 "[ . 1 . 2]" 1
651 1 39 VAL H 1 40 VAL H 0.000 . 5.000 4.305 4.086 4.467 . 0 0 "[ . 1 . 2]" 1
652 1 40 VAL HA 1 40 VAL MG1 0.000 . 3.000 2.332 2.246 2.409 . 0 0 "[ . 1 . 2]" 1
653 1 40 VAL HA 1 40 VAL MG2 0.000 . 3.000 2.472 2.379 3.179 0.179 13 0 "[ . 1 . 2]" 1
654 1 40 VAL H 1 40 VAL HB 0.000 . 4.000 2.672 2.566 3.637 . 0 0 "[ . 1 . 2]" 1
655 1 40 VAL H 1 40 VAL QG 0.000 . 4.000 2.122 1.865 2.432 . 0 0 "[ . 1 . 2]" 1
656 1 40 VAL HA 1 41 LYS QB 0.000 . 6.000 4.146 4.006 4.473 . 0 0 "[ . 1 . 2]" 1
657 1 40 VAL HA 1 41 LYS H 0.000 . 3.000 2.185 2.145 2.252 . 0 0 "[ . 1 . 2]" 1
658 1 40 VAL QG 1 41 LYS H 0.000 . 3.000 2.428 2.075 3.446 0.446 13 0 "[ . 1 . 2]" 1
659 1 40 VAL HB 1 43 GLY H 0.000 . 5.000 4.127 3.476 4.949 . 0 0 "[ . 1 . 2]" 1
660 1 40 VAL QG 1 43 GLY QA 0.000 . 5.000 4.100 1.874 4.501 . 0 0 "[ . 1 . 2]" 1
661 1 40 VAL QG 1 43 GLY H 0.000 . 4.000 3.839 2.284 4.451 0.451 20 0 "[ . 1 . 2]" 1
662 1 40 VAL H 1 45 ALA MB 0.000 . 6.000 5.470 4.842 6.214 0.214 20 0 "[ . 1 . 2]" 1
663 1 40 VAL H 1 41 LYS H 0.000 . 6.000 4.564 4.467 4.612 . 0 0 "[ . 1 . 2]" 1
664 1 41 LYS HA 1 41 LYS QD 0.000 . 3.000 2.570 2.125 2.987 . 0 0 "[ . 1 . 2]" 1
665 1 41 LYS HA 1 41 LYS QG 0.000 . 4.000 2.436 2.108 2.954 . 0 0 "[ . 1 . 2]" 1
666 1 41 LYS H 1 41 LYS QB 0.000 . 3.000 2.189 2.062 2.456 . 0 0 "[ . 1 . 2]" 1
667 1 41 LYS H 1 41 LYS QG 0.000 . 4.000 3.523 2.223 4.040 0.040 12 0 "[ . 1 . 2]" 1
668 1 41 LYS H 1 41 LYS QE 0.000 . 6.000 4.960 3.600 5.919 . 0 0 "[ . 1 . 2]" 1
669 1 41 LYS HA 1 42 GLY H 0.000 . 3.000 2.215 2.146 2.315 . 0 0 "[ . 1 . 2]" 1
670 1 41 LYS QB 1 42 GLY H 0.000 . 5.000 3.409 2.625 3.963 . 0 0 "[ . 1 . 2]" 1
671 1 41 LYS QD 1 42 GLY H 0.000 . 5.000 3.661 2.061 4.736 . 0 0 "[ . 1 . 2]" 1
672 1 41 LYS QG 1 42 GLY H 0.000 . 6.000 3.411 2.142 4.581 . 0 0 "[ . 1 . 2]" 1
673 1 41 LYS HA 1 43 GLY H 0.000 . 4.500 3.553 3.227 4.111 . 0 0 "[ . 1 . 2]" 1
674 1 41 LYS QG 1 43 GLY H 0.000 . 6.000 5.268 4.533 6.023 0.023 6 0 "[ . 1 . 2]" 1
675 1 41 LYS HA 1 46 ASP QB 0.000 . 5.000 3.004 2.689 3.719 . 0 0 "[ . 1 . 2]" 1
676 1 41 LYS H 1 46 ASP QB 0.000 . 6.000 4.913 4.544 5.607 . 0 0 "[ . 1 . 2]" 1
677 1 41 LYS HA 1 47 VAL QG 0.000 . 5.000 4.803 4.459 5.016 0.016 14 0 "[ . 1 . 2]" 1
678 1 41 LYS H 1 42 GLY H 0.000 . 5.000 4.499 4.138 4.638 . 0 0 "[ . 1 . 2]" 1
679 1 41 LYS H 1 43 GLY H 0.000 . 5.000 4.862 4.703 5.015 0.015 20 0 "[ . 1 . 2]" 1
680 1 42 GLY QA 1 43 GLY H 0.000 . 4.500 2.875 2.735 2.953 . 0 0 "[ . 1 . 2]" 1
681 1 42 GLY H 1 46 ASP QB 0.000 . 5.000 2.688 2.129 3.554 . 0 0 "[ . 1 . 2]" 1
682 1 42 GLY HA3 1 47 VAL QG 0.000 . 5.000 4.135 3.589 4.544 . 0 0 "[ . 1 . 2]" 1
683 1 42 GLY HA2 1 47 VAL QG 0.000 . 5.000 2.923 2.298 3.387 . 0 0 "[ . 1 . 2]" 1
684 1 42 GLY H 1 43 GLY H 0.000 . 5.000 2.520 2.053 2.912 . 0 0 "[ . 1 . 2]" 1
685 1 42 GLY H 1 47 VAL H 0.000 . 6.000 4.524 3.418 5.054 . 0 0 "[ . 1 . 2]" 1
686 1 43 GLY HA3 1 44 ALA H 0.000 . 4.000 2.627 2.197 3.106 . 0 0 "[ . 1 . 2]" 1
687 1 43 GLY HA2 1 44 ALA H 0.000 . 4.000 2.556 2.163 3.079 . 0 0 "[ . 1 . 2]" 1
688 1 43 GLY QA 1 45 ALA H 0.000 . 5.000 3.554 3.085 4.190 . 0 0 "[ . 1 . 2]" 1
689 1 43 GLY H 1 46 ASP QB 0.000 . 4.000 2.880 2.138 3.733 . 0 0 "[ . 1 . 2]" 1
690 1 43 GLY H 1 44 ALA H 0.000 . 5.000 4.479 4.035 4.640 . 0 0 "[ . 1 . 2]" 1
691 1 43 GLY H 1 46 ASP H 0.000 . 6.000 4.137 3.696 4.583 . 0 0 "[ . 1 . 2]" 1
692 1 43 GLY H 1 47 VAL H 0.000 . 6.000 4.400 3.634 4.918 . 0 0 "[ . 1 . 2]" 1
693 1 44 ALA H 1 44 ALA MB 0.000 . 3.000 2.175 2.051 2.291 . 0 0 "[ . 1 . 2]" 1
694 1 44 ALA MB 1 45 ALA H 0.000 . 4.000 2.592 2.139 3.052 . 0 0 "[ . 1 . 2]" 1
695 1 44 ALA H 1 45 ALA MB 0.000 . 5.000 4.308 3.961 4.531 . 0 0 "[ . 1 . 2]" 1
696 1 44 ALA HA 1 47 VAL HB 0.000 . 5.000 3.228 2.385 4.474 . 0 0 "[ . 1 . 2]" 1
697 1 44 ALA HA 1 47 VAL QG 0.000 . 4.000 3.177 2.120 3.712 . 0 0 "[ . 1 . 2]" 1
698 1 44 ALA MB 1 47 VAL QG 0.000 . 5.000 4.223 3.402 4.619 . 0 0 "[ . 1 . 2]" 1
699 1 44 ALA HA 1 47 VAL H 0.000 . 4.000 3.746 3.224 4.022 0.022 13 0 "[ . 1 . 2]" 1
700 1 44 ALA H 1 47 VAL QG 0.000 . 5.000 4.356 3.694 4.685 . 0 0 "[ . 1 . 2]" 1
701 1 44 ALA H 1 45 ALA H 0.000 . 4.000 2.657 2.171 2.953 . 0 0 "[ . 1 . 2]" 1
702 1 45 ALA H 1 45 ALA MB 0.000 . 3.000 2.176 2.045 2.271 . 0 0 "[ . 1 . 2]" 1
703 1 45 ALA HA 1 46 ASP H 0.000 . 4.000 3.540 3.503 3.573 . 0 0 "[ . 1 . 2]" 1
704 1 45 ALA MB 1 46 ASP H 0.000 . 4.000 2.619 2.355 2.844 . 0 0 "[ . 1 . 2]" 1
705 1 45 ALA HA 1 48 ASP QB 0.000 . 4.000 2.691 2.212 3.238 . 0 0 "[ . 1 . 2]" 1
706 1 45 ALA HA 1 48 ASP H 0.000 . 4.000 3.609 3.309 4.012 0.012 19 0 "[ . 1 . 2]" 1
707 1 45 ALA MB 1 51 LEU QD 0.000 . 5.000 2.174 1.731 2.945 . 0 0 "[ . 1 . 2]" 1
708 1 45 ALA H 1 46 ASP H 0.000 . 4.500 2.649 2.341 2.941 . 0 0 "[ . 1 . 2]" 1
709 1 46 ASP H 1 46 ASP QB 0.000 . 3.000 2.168 2.072 2.244 . 0 0 "[ . 1 . 2]" 1
710 1 46 ASP HA 1 47 VAL H 0.000 . 4.000 3.551 3.524 3.578 . 0 0 "[ . 1 . 2]" 1
711 1 46 ASP QB 1 47 VAL H 0.000 . 4.000 2.553 2.201 2.796 . 0 0 "[ . 1 . 2]" 1
712 1 46 ASP HA 1 49 GLY QA 0.000 . 4.500 4.153 3.497 4.526 0.026 14 0 "[ . 1 . 2]" 1
713 1 46 ASP HA 1 49 GLY H 0.000 . 4.000 3.827 3.580 4.179 0.179 8 0 "[ . 1 . 2]" 1
714 1 46 ASP H 1 47 VAL H 0.000 . 4.500 2.680 2.460 2.785 . 0 0 "[ . 1 . 2]" 1
715 1 47 VAL H 1 47 VAL HB 0.000 . 3.000 2.608 2.470 2.660 . 0 0 "[ . 1 . 2]" 1
716 1 47 VAL H 1 47 VAL QG 0.000 . 4.000 2.062 1.972 2.312 . 0 0 "[ . 1 . 2]" 1
717 1 47 VAL HA 1 48 ASP H 0.000 . 4.000 3.533 3.504 3.564 . 0 0 "[ . 1 . 2]" 1
718 1 47 VAL QG 1 48 ASP H 0.000 . 5.000 3.257 2.060 3.381 . 0 0 "[ . 1 . 2]" 1
719 1 47 VAL HA 1 49 GLY H 0.000 . 5.000 4.631 4.146 4.969 . 0 0 "[ . 1 . 2]" 1
720 1 47 VAL QG 1 49 GLY H 0.000 . 6.000 4.759 4.152 4.974 . 0 0 "[ . 1 . 2]" 1
721 1 47 VAL H 1 48 ASP H 0.000 . 4.000 2.602 2.438 2.731 . 0 0 "[ . 1 . 2]" 1
722 1 47 VAL H 1 49 GLY H 0.000 . 5.000 4.338 3.881 4.655 . 0 0 "[ . 1 . 2]" 1
723 1 48 ASP HA 1 49 GLY H 0.000 . 4.000 3.562 3.516 3.582 . 0 0 "[ . 1 . 2]" 1
724 1 48 ASP QB 1 49 GLY H 0.000 . 4.000 2.542 2.265 2.828 . 0 0 "[ . 1 . 2]" 1
725 1 48 ASP QB 1 50 ARG QG 0.000 . 4.000 3.041 1.962 3.846 . 0 0 "[ . 1 . 2]" 1
726 1 48 ASP QB 1 50 ARG H 0.000 . 5.000 3.247 2.331 4.663 . 0 0 "[ . 1 . 2]" 1
727 1 48 ASP H 1 49 GLY H 0.000 . 4.000 2.731 2.438 2.884 . 0 0 "[ . 1 . 2]" 1
728 1 49 GLY QA 1 50 ARG H 0.000 . 5.000 2.619 2.210 2.896 . 0 0 "[ . 1 . 2]" 1
729 1 49 GLY H 1 50 ARG HA 0.000 . 6.000 5.106 4.894 5.325 . 0 0 "[ . 1 . 2]" 1
730 1 49 GLY H 1 50 ARG QG 0.000 . 6.000 4.427 3.854 5.325 . 0 0 "[ . 1 . 2]" 1
731 1 49 GLY H 1 50 ARG H 0.000 . 4.000 2.615 2.260 3.144 . 0 0 "[ . 1 . 2]" 1
732 1 49 GLY H 1 51 LEU H 0.000 . 6.000 4.405 3.799 5.089 . 0 0 "[ . 1 . 2]" 1
733 1 50 ARG HA 1 50 ARG HD3 0.000 . 5.000 2.763 2.012 4.572 . 0 0 "[ . 1 . 2]" 1
734 1 50 ARG HA 1 50 ARG HD2 0.000 . 5.000 3.674 2.644 4.435 . 0 0 "[ . 1 . 2]" 1
735 1 50 ARG HA 1 50 ARG QG 0.000 . 3.000 2.535 2.135 2.870 . 0 0 "[ . 1 . 2]" 1
736 1 50 ARG H 1 50 ARG HD3 0.000 . 6.000 4.906 3.951 5.891 . 0 0 "[ . 1 . 2]" 1
737 1 50 ARG H 1 50 ARG HD2 0.000 . 6.000 5.414 4.784 5.920 . 0 0 "[ . 1 . 2]" 1
738 1 50 ARG H 1 50 ARG QG 0.000 . 4.500 3.202 2.563 3.736 . 0 0 "[ . 1 . 2]" 1
739 1 50 ARG HA 1 51 LEU H 0.000 . 4.000 3.461 2.912 3.576 . 0 0 "[ . 1 . 2]" 1
740 1 50 ARG H 1 51 LEU QB 0.000 . 5.000 4.824 3.371 5.474 0.474 16 0 "[ . 1 . 2]" 1
741 1 50 ARG H 1 51 LEU H 0.000 . 4.500 2.276 2.049 2.727 . 0 0 "[ . 1 . 2]" 1
742 1 51 LEU H 1 51 LEU QD 0.000 . 5.000 2.869 2.048 3.979 . 0 0 "[ . 1 . 2]" 1
743 1 51 LEU H 1 51 LEU HG 0.000 . 4.000 2.296 1.956 4.008 0.008 12 0 "[ . 1 . 2]" 1
744 1 51 LEU HA 1 52 ALA H 0.000 . 3.000 2.447 2.204 2.619 . 0 0 "[ . 1 . 2]" 1
745 1 51 LEU HB3 1 52 ALA H 0.000 . 4.500 3.614 2.421 4.071 . 0 0 "[ . 1 . 2]" 1
746 1 51 LEU HB2 1 52 ALA H 0.000 . 4.500 2.461 2.043 3.837 . 0 0 "[ . 1 . 2]" 1
747 1 51 LEU QD 1 52 ALA H 0.000 . 4.000 3.127 2.233 3.750 . 0 0 "[ . 1 . 2]" 1
748 1 51 LEU QD 1 53 ALA HA 0.000 . 5.000 4.794 4.344 5.025 0.025 12 0 "[ . 1 . 2]" 1
749 1 51 LEU QD 1 55 ASP QB 0.000 . 5.000 3.632 2.951 4.383 . 0 0 "[ . 1 . 2]" 1
750 1 51 LEU H 1 52 ALA H 0.000 . 5.000 4.452 4.359 4.605 . 0 0 "[ . 1 . 2]" 1
751 1 52 ALA HA 1 53 ALA H 0.000 . 3.000 2.659 2.303 2.848 . 0 0 "[ . 1 . 2]" 1
752 1 52 ALA MB 1 53 ALA H 0.000 . 3.000 2.106 1.919 2.684 . 0 0 "[ . 1 . 2]" 1
753 1 52 ALA MB 1 55 ASP H 0.000 . 5.000 5.710 5.269 5.995 0.995 17 17 "[ ***.******-****+**2]" 1
754 1 52 ALA H 1 55 ASP HB3 0.000 . 5.000 4.624 4.243 4.941 . 0 0 "[ . 1 . 2]" 1
755 1 52 ALA H 1 55 ASP HB2 0.000 . 5.000 3.783 3.155 4.196 . 0 0 "[ . 1 . 2]" 1
756 1 52 ALA MB 1 91 GLN QE 0.000 . 5.000 7.678 6.546 8.803 3.803 10 20 [*********+****-*****] 1
757 1 52 ALA H 1 53 ALA H 0.000 . 5.000 4.363 4.270 4.451 . 0 0 "[ . 1 . 2]" 1
758 1 52 ALA H 1 55 ASP H 0.000 . 6.000 5.676 5.167 5.963 . 0 0 "[ . 1 . 2]" 1
759 1 53 ALA H 1 53 ALA MB 0.000 . 3.000 2.192 2.032 2.298 . 0 0 "[ . 1 . 2]" 1
760 1 53 ALA HA 1 54 GLY H 0.000 . 3.000 2.276 2.185 2.437 . 0 0 "[ . 1 . 2]" 1
761 1 53 ALA MB 1 54 GLY H 0.000 . 4.000 2.726 2.384 2.961 . 0 0 "[ . 1 . 2]" 1
762 1 53 ALA HA 1 55 ASP H 0.000 . 4.000 3.801 3.359 3.968 . 0 0 "[ . 1 . 2]" 1
763 1 53 ALA H 1 54 GLY H 0.000 . 5.000 4.627 4.584 4.651 . 0 0 "[ . 1 . 2]" 1
764 1 54 GLY QA 1 55 ASP QB 0.000 . 6.000 4.402 4.169 4.538 . 0 0 "[ . 1 . 2]" 1
765 1 54 GLY HA3 1 55 ASP H 0.000 . 4.000 3.554 3.485 3.569 . 0 0 "[ . 1 . 2]" 1
766 1 54 GLY HA2 1 55 ASP H 0.000 . 4.000 2.768 2.660 3.028 . 0 0 "[ . 1 . 2]" 1
767 1 54 GLY QA 1 91 GLN QE 0.000 . 5.000 4.354 3.838 5.231 0.231 19 0 "[ . 1 . 2]" 1
768 1 54 GLY H 1 55 ASP H 0.000 . 4.000 2.582 2.357 2.722 . 0 0 "[ . 1 . 2]" 1
769 1 55 ASP H 1 55 ASP HB3 0.000 . 4.000 3.558 3.118 3.796 . 0 0 "[ . 1 . 2]" 1
770 1 55 ASP H 1 55 ASP HB2 0.000 . 4.000 2.489 2.287 2.692 . 0 0 "[ . 1 . 2]" 1
771 1 55 ASP HA 1 56 GLN H 0.000 . 3.000 2.529 2.195 2.650 . 0 0 "[ . 1 . 2]" 1
772 1 55 ASP HB3 1 56 GLN H 0.000 . 5.000 2.323 2.069 3.285 . 0 0 "[ . 1 . 2]" 1
773 1 55 ASP HB2 1 56 GLN H 0.000 . 5.000 3.715 3.400 4.353 . 0 0 "[ . 1 . 2]" 1
774 1 55 ASP HB3 1 88 VAL QG 0.000 . 5.000 2.613 1.894 3.674 . 0 0 "[ . 1 . 2]" 1
775 1 55 ASP HB2 1 88 VAL QG 0.000 . 5.000 3.474 2.577 4.383 . 0 0 "[ . 1 . 2]" 1
776 1 55 ASP HA 1 91 GLN QG 0.000 . 5.000 4.016 2.269 4.923 . 0 0 "[ . 1 . 2]" 1
777 1 55 ASP HA 1 91 GLN H 0.000 . 4.500 3.494 2.606 4.342 . 0 0 "[ . 1 . 2]" 1
778 1 55 ASP H 1 56 GLN H 0.000 . 5.000 4.459 4.352 4.515 . 0 0 "[ . 1 . 2]" 1
779 1 55 ASP H 1 91 GLN H 0.000 . 6.000 6.196 5.467 7.047 1.047 8 7 "[ . *+*1* * *- 2]" 1
780 1 56 GLN HA 1 57 LEU H 0.000 . 3.000 2.332 2.171 2.526 . 0 0 "[ . 1 . 2]" 1
781 1 56 GLN QB 1 57 LEU H 0.000 . 5.000 3.354 2.837 3.923 . 0 0 "[ . 1 . 2]" 1
782 1 56 GLN QG 1 57 LEU H 0.000 . 5.000 2.330 2.062 3.209 . 0 0 "[ . 1 . 2]" 1
783 1 56 GLN HE21 1 58 LEU HA 0.000 . 6.000 4.192 3.016 5.292 . 0 0 "[ . 1 . 2]" 1
784 1 56 GLN HE22 1 58 LEU HA 0.000 . 6.000 3.759 2.227 5.941 . 0 0 "[ . 1 . 2]" 1
785 1 56 GLN HE21 1 58 LEU MD1 0.000 . 6.000 3.966 3.257 5.029 . 0 0 "[ . 1 . 2]" 1
786 1 56 GLN HE21 1 58 LEU MD2 0.000 . 6.000 4.345 2.305 5.707 . 0 0 "[ . 1 . 2]" 1
787 1 56 GLN HE22 1 58 LEU MD1 0.000 . 6.000 2.984 1.978 4.264 . 0 0 "[ . 1 . 2]" 1
788 1 56 GLN HE22 1 58 LEU MD2 0.000 . 6.000 3.490 2.062 5.648 . 0 0 "[ . 1 . 2]" 1
789 1 56 GLN HE21 1 66 VAL HA 0.000 . 6.000 6.142 4.908 6.875 0.875 11 7 "[ - ** 1+ * * *2]" 1
790 1 56 GLN HE22 1 66 VAL HA 0.000 . 6.000 6.121 4.885 6.977 0.977 10 6 "[* *. * + * - 2]" 1
791 1 56 GLN HE21 1 66 VAL MG1 0.000 . 6.000 5.634 4.450 6.042 0.042 9 0 "[ . 1 . 2]" 1
792 1 56 GLN HE21 1 66 VAL MG2 0.000 . 6.000 5.360 3.745 6.034 0.034 18 0 "[ . 1 . 2]" 1
793 1 56 GLN HE22 1 66 VAL MG1 0.000 . 6.000 5.181 4.428 5.982 . 0 0 "[ . 1 . 2]" 1
794 1 56 GLN HE22 1 66 VAL MG2 0.000 . 6.000 4.848 3.426 5.990 . 0 0 "[ . 1 . 2]" 1
795 1 56 GLN H 1 88 VAL QG 0.000 . 5.000 3.403 2.464 4.739 . 0 0 "[ . 1 . 2]" 1
796 1 56 GLN HB3 1 89 ALA MB 0.000 . 4.000 1.887 1.775 2.015 . 0 0 "[ . 1 . 2]" 1
797 1 56 GLN HB2 1 89 ALA MB 0.000 . 4.000 2.818 2.250 3.455 . 0 0 "[ . 1 . 2]" 1
798 1 56 GLN QB 1 89 ALA H 0.000 . 5.000 2.975 2.527 3.731 . 0 0 "[ . 1 . 2]" 1
799 1 56 GLN H 1 89 ALA HA 0.000 . 6.000 4.651 4.298 4.826 . 0 0 "[ . 1 . 2]" 1
800 1 56 GLN H 1 89 ALA MB 0.000 . 5.000 3.048 2.487 3.522 . 0 0 "[ . 1 . 2]" 1
801 1 56 GLN H 1 57 LEU H 0.000 . 5.000 4.473 4.225 4.583 . 0 0 "[ . 1 . 2]" 1
802 1 56 GLN H 1 89 ALA H 0.000 . 5.000 2.501 2.034 2.785 . 0 0 "[ . 1 . 2]" 1
803 1 57 LEU HA 1 57 LEU QD 0.000 . 4.000 2.439 1.912 3.376 . 0 0 "[ . 1 . 2]" 1
804 1 57 LEU H 1 57 LEU HB3 0.000 . 4.000 3.416 2.763 3.722 . 0 0 "[ . 1 . 2]" 1
805 1 57 LEU H 1 57 LEU HB2 0.000 . 4.000 2.749 2.294 4.037 0.037 6 0 "[ . 1 . 2]" 1
806 1 57 LEU H 1 57 LEU HG 0.000 . 5.000 4.099 2.739 5.018 0.018 15 0 "[ . 1 . 2]" 1
807 1 57 LEU H 1 57 LEU QD 0.000 . 5.000 3.632 2.578 4.067 . 0 0 "[ . 1 . 2]" 1
808 1 57 LEU HA 1 58 LEU QD 0.000 . 6.000 4.307 2.653 5.228 . 0 0 "[ . 1 . 2]" 1
809 1 57 LEU HA 1 58 LEU H 0.000 . 3.000 2.170 2.138 2.323 . 0 0 "[ . 1 . 2]" 1
810 1 57 LEU QB 1 58 LEU H 0.000 . 5.000 3.377 2.603 3.789 . 0 0 "[ . 1 . 2]" 1
811 1 57 LEU QD 1 58 LEU H 0.000 . 4.000 3.086 2.084 4.041 0.041 3 0 "[ . 1 . 2]" 1
812 1 57 LEU HA 1 59 SER H 0.000 . 4.500 4.393 4.055 4.501 0.001 1 0 "[ . 1 . 2]" 1
813 1 57 LEU QD 1 77 MET HG3 0.000 . 6.000 4.628 3.511 5.877 . 0 0 "[ . 1 . 2]" 1
814 1 57 LEU QD 1 77 MET HG2 0.000 . 6.000 4.448 3.224 5.266 . 0 0 "[ . 1 . 2]" 1
815 1 57 LEU QD 1 86 LEU HA 0.000 . 6.000 3.416 2.627 4.535 . 0 0 "[ . 1 . 2]" 1
816 1 57 LEU QD 1 88 VAL HA 0.000 . 5.000 2.844 1.971 3.996 . 0 0 "[ . 1 . 2]" 1
817 1 57 LEU HA 1 89 ALA H 0.000 . 5.000 3.791 3.351 4.246 . 0 0 "[ . 1 . 2]" 1
818 1 57 LEU H 1 58 LEU H 0.000 . 6.000 4.284 4.047 4.442 . 0 0 "[ . 1 . 2]" 1
819 1 58 LEU HA 1 58 LEU QD 0.000 . 4.000 2.544 1.902 3.211 . 0 0 "[ . 1 . 2]" 1
820 1 58 LEU H 1 58 LEU QD 0.000 . 4.000 3.346 2.252 3.843 . 0 0 "[ . 1 . 2]" 1
821 1 58 LEU HA 1 59 SER H 0.000 . 4.500 3.585 3.570 3.593 . 0 0 "[ . 1 . 2]" 1
822 1 58 LEU QB 1 59 SER H 0.000 . 4.000 2.328 2.151 2.603 . 0 0 "[ . 1 . 2]" 1
823 1 58 LEU QD 1 59 SER HA 0.000 . 5.000 4.558 3.370 5.009 0.009 20 0 "[ . 1 . 2]" 1
824 1 58 LEU MD1 1 59 SER H 0.000 . 4.500 4.298 2.710 4.528 0.028 19 0 "[ . 1 . 2]" 1
825 1 58 LEU MD2 1 59 SER H 0.000 . 4.500 4.142 3.404 4.530 0.030 20 0 "[ . 1 . 2]" 1
826 1 58 LEU HA 1 66 VAL QG 0.000 . 5.000 3.451 3.030 3.962 . 0 0 "[ . 1 . 2]" 1
827 1 58 LEU QD 1 66 VAL QG 0.000 . 4.000 2.007 1.692 2.839 . 0 0 "[ . 1 . 2]" 1
828 1 58 LEU HG 1 66 VAL QG 0.000 . 5.000 3.381 2.149 4.001 . 0 0 "[ . 1 . 2]" 1
829 1 58 LEU QD 1 66 VAL H 0.000 . 6.000 4.670 3.297 5.964 . 0 0 "[ . 1 . 2]" 1
830 1 58 LEU QB 1 87 GLU QG 0.000 . 5.000 3.397 2.206 4.645 . 0 0 "[ . 1 . 2]" 1
831 1 58 LEU QD 1 87 GLU HA 0.000 . 6.000 5.927 5.042 6.371 0.371 16 0 "[ . 1 . 2]" 1
832 1 58 LEU QD 1 87 GLU QB 0.000 . 5.000 3.920 3.261 4.361 . 0 0 "[ . 1 . 2]" 1
833 1 58 LEU QD 1 87 GLU QG 0.000 . 5.000 3.975 3.147 5.312 0.312 10 0 "[ . 1 . 2]" 1
834 1 58 LEU H 1 87 GLU HA 0.000 . 6.000 5.034 4.565 5.410 . 0 0 "[ . 1 . 2]" 1
835 1 58 LEU H 1 87 GLU HB3 0.000 . 6.000 3.519 2.408 5.446 . 0 0 "[ . 1 . 2]" 1
836 1 58 LEU H 1 87 GLU HB2 0.000 . 6.000 4.325 2.727 5.253 . 0 0 "[ . 1 . 2]" 1
837 1 58 LEU QD 1 88 VAL HA 0.000 . 6.000 5.091 3.790 5.973 . 0 0 "[ . 1 . 2]" 1
838 1 58 LEU H 1 88 VAL HA 0.000 . 4.000 3.732 3.057 4.008 0.008 1 0 "[ . 1 . 2]" 1
839 1 58 LEU H 1 88 VAL QG 0.000 . 4.000 4.597 3.842 5.204 1.204 18 13 "[* **. ***** * *-*+ 2]" 1
840 1 58 LEU QD 1 89 ALA MB 0.000 . 4.000 3.406 2.771 4.014 0.014 14 0 "[ . 1 . 2]" 1
841 1 58 LEU H 1 59 SER H 0.000 . 4.000 2.421 2.197 2.627 . 0 0 "[ . 1 . 2]" 1
842 1 58 LEU H 1 87 GLU H 0.000 . 5.000 4.042 3.746 4.368 . 0 0 "[ . 1 . 2]" 1
843 1 59 SER HA 1 60 VAL H 0.000 . 3.000 2.267 2.159 2.390 . 0 0 "[ . 1 . 2]" 1
844 1 59 SER QB 1 60 VAL H 0.000 . 4.000 2.856 2.419 3.584 . 0 0 "[ . 1 . 2]" 1
845 1 59 SER HA 1 62 GLY H 0.000 . 5.000 5.510 5.093 6.043 1.043 13 11 "[ * * * *1**+ * **-]" 1
846 1 59 SER QB 1 62 GLY QA 0.000 . 6.000 3.931 3.469 4.911 . 0 0 "[ . 1 . 2]" 1
847 1 59 SER QB 1 62 GLY H 0.000 . 5.000 3.832 3.054 4.782 . 0 0 "[ . 1 . 2]" 1
848 1 59 SER HA 1 63 ARG H 0.000 . 4.500 4.621 3.931 5.029 0.529 14 4 "[*- . * +. 2]" 1
849 1 59 SER QB 1 63 ARG H 0.000 . 5.000 3.799 2.781 5.041 0.041 18 0 "[ . 1 . 2]" 1
850 1 59 SER HA 1 64 SER HA 0.000 . 4.500 2.691 2.001 3.357 . 0 0 "[ . 1 . 2]" 1
851 1 59 SER QB 1 64 SER HA 0.000 . 4.000 3.412 2.597 4.568 0.568 16 1 "[ . 1 .+ 2]" 1
852 1 59 SER HA 1 65 LEU H 0.000 . 4.000 2.844 2.279 3.310 . 0 0 "[ . 1 . 2]" 1
853 1 59 SER HA 1 65 LEU QB 0.000 . 5.000 4.108 2.901 5.058 0.058 18 0 "[ . 1 . 2]" 1
854 1 59 SER HA 1 65 LEU MD1 0.000 . 5.000 3.370 1.881 4.956 . 0 0 "[ . 1 . 2]" 1
855 1 59 SER HA 1 65 LEU MD2 0.000 . 5.000 4.279 2.492 5.448 0.448 5 0 "[ . 1 . 2]" 1
856 1 59 SER HA 1 65 LEU HG 0.000 . 4.000 3.779 2.551 4.533 0.533 11 3 "[ -* . 1+ . 2]" 1
857 1 59 SER QB 1 65 LEU HG 0.000 . 6.000 5.479 4.638 6.017 0.017 10 0 "[ . 1 . 2]" 1
858 1 59 SER QB 1 65 LEU H 0.000 . 5.000 4.444 3.842 5.024 0.024 1 0 "[ . 1 . 2]" 1
859 1 59 SER H 1 86 LEU HA 0.000 . 5.000 4.941 4.632 5.021 0.021 8 0 "[ . 1 . 2]" 1
860 1 59 SER H 1 86 LEU QB 0.000 . 6.000 5.713 5.098 5.999 . 0 0 "[ . 1 . 2]" 1
861 1 59 SER H 1 87 GLU HB3 0.000 . 4.500 2.639 1.860 4.527 0.027 15 0 "[ . 1 . 2]" 1
862 1 59 SER H 1 87 GLU HB2 0.000 . 4.500 3.135 1.932 4.306 . 0 0 "[ . 1 . 2]" 1
863 1 59 SER H 1 60 VAL H 0.000 . 6.000 4.510 4.414 4.570 . 0 0 "[ . 1 . 2]" 1
864 1 59 SER H 1 65 LEU H 0.000 . 6.000 4.929 4.288 5.262 . 0 0 "[ . 1 . 2]" 1
865 1 59 SER H 1 87 GLU H 0.000 . 4.000 3.190 2.824 3.503 . 0 0 "[ . 1 . 2]" 1
866 1 60 VAL H 1 60 VAL QG 0.000 . 4.000 2.759 2.064 2.920 . 0 0 "[ . 1 . 2]" 1
867 1 60 VAL HA 1 61 ASP H 0.000 . 3.000 2.187 2.141 2.791 . 0 0 "[ . 1 . 2]" 1
868 1 60 VAL HB 1 61 ASP H 0.000 . 5.000 4.112 2.382 4.396 . 0 0 "[ . 1 . 2]" 1
869 1 60 VAL QG 1 61 ASP QB 0.000 . 6.000 2.736 2.529 3.691 . 0 0 "[ . 1 . 2]" 1
870 1 60 VAL QG 1 61 ASP H 0.000 . 3.000 2.612 1.958 2.980 . 0 0 "[ . 1 . 2]" 1
871 1 60 VAL QG 1 62 GLY H 0.000 . 6.000 4.442 4.248 4.610 . 0 0 "[ . 1 . 2]" 1
872 1 60 VAL H 1 62 GLY QA 0.000 . 6.000 4.802 4.491 5.292 . 0 0 "[ . 1 . 2]" 1
873 1 60 VAL HA 1 63 ARG H 0.000 . 6.000 4.443 4.167 4.818 . 0 0 "[ . 1 . 2]" 1
874 1 60 VAL QG 1 63 ARG QB 0.000 . 5.000 3.955 1.895 5.240 0.240 7 0 "[ . 1 . 2]" 1
875 1 60 VAL QG 1 63 ARG QD 0.000 . 5.000 4.209 2.534 5.004 0.004 18 0 "[ . 1 . 2]" 1
876 1 60 VAL QG 1 63 ARG H 0.000 . 5.000 4.320 3.551 4.494 . 0 0 "[ . 1 . 2]" 1
877 1 60 VAL H 1 63 ARG QB 0.000 . 4.000 3.297 2.728 4.521 0.521 7 1 "[ . + 1 . 2]" 1
878 1 60 VAL H 1 63 ARG QG 0.000 . 6.000 4.611 2.490 5.360 . 0 0 "[ . 1 . 2]" 1
879 1 60 VAL HA 1 65 LEU QD 0.000 . 6.000 4.013 3.447 4.582 . 0 0 "[ . 1 . 2]" 1
880 1 60 VAL H 1 65 LEU QD 0.000 . 5.000 2.803 1.905 4.029 . 0 0 "[ . 1 . 2]" 1
881 1 60 VAL QG 1 77 MET HG3 0.000 . 5.000 2.531 1.833 3.591 . 0 0 "[ . 1 . 2]" 1
882 1 60 VAL QG 1 77 MET HG2 0.000 . 5.000 2.158 1.748 3.327 . 0 0 "[ . 1 . 2]" 1
883 1 60 VAL QG 1 80 THR HB 0.000 . 5.000 4.822 4.197 5.026 0.026 12 0 "[ . 1 . 2]" 1
884 1 60 VAL QG 1 80 THR MG 0.000 . 4.000 2.813 2.355 3.048 . 0 0 "[ . 1 . 2]" 1
885 1 60 VAL QG 1 84 VAL QG 0.000 . 4.000 2.323 1.970 3.450 . 0 0 "[ . 1 . 2]" 1
886 1 60 VAL HA 1 86 LEU HA 0.000 . 4.000 2.445 2.123 2.729 . 0 0 "[ . 1 . 2]" 1
887 1 60 VAL HA 1 86 LEU QD 0.000 . 4.500 2.761 1.884 3.639 . 0 0 "[ . 1 . 2]" 1
888 1 60 VAL HA 1 86 LEU H 0.000 . 6.000 4.830 4.572 5.157 . 0 0 "[ . 1 . 2]" 1
889 1 60 VAL MG1 1 86 LEU HA 0.000 . 6.000 3.582 2.881 4.020 . 0 0 "[ . 1 . 2]" 1
890 1 60 VAL MG2 1 86 LEU HA 0.000 . 6.000 3.352 2.823 4.160 . 0 0 "[ . 1 . 2]" 1
891 1 60 VAL HA 1 87 GLU H 0.000 . 5.000 3.644 3.139 3.997 . 0 0 "[ . 1 . 2]" 1
892 1 60 VAL QG 1 87 GLU H 0.000 . 4.000 3.749 3.286 4.055 0.055 13 0 "[ . 1 . 2]" 1
893 1 60 VAL H 1 61 ASP H 0.000 . 6.000 4.150 3.979 4.395 . 0 0 "[ . 1 . 2]" 1
894 1 60 VAL H 1 62 GLY H 0.000 . 6.000 3.923 3.478 4.203 . 0 0 "[ . 1 . 2]" 1
895 1 60 VAL H 1 63 ARG H 0.000 . 4.000 2.873 2.320 3.316 . 0 0 "[ . 1 . 2]" 1
896 1 60 VAL H 1 65 LEU H 0.000 . 6.000 4.324 3.749 4.934 . 0 0 "[ . 1 . 2]" 1
897 1 61 ASP H 1 61 ASP HA 0.000 . 3.000 2.300 2.265 2.832 . 0 0 "[ . 1 . 2]" 1
898 1 61 ASP HA 1 62 GLY H 0.000 . 4.000 2.833 2.439 3.067 . 0 0 "[ . 1 . 2]" 1
899 1 61 ASP HB3 1 62 GLY H 0.000 . 6.000 4.283 4.048 4.667 . 0 0 "[ . 1 . 2]" 1
900 1 61 ASP HB2 1 62 GLY H 0.000 . 6.000 4.482 4.272 4.582 . 0 0 "[ . 1 . 2]" 1
901 1 61 ASP H 1 62 GLY QA 0.000 . 6.000 4.653 4.549 5.060 . 0 0 "[ . 1 . 2]" 1
902 1 61 ASP HA 1 85 THR HB 0.000 . 4.500 3.714 2.300 4.523 0.023 11 0 "[ . 1 . 2]" 1
903 1 61 ASP HA 1 85 THR MG 0.000 . 5.000 4.424 3.939 4.957 . 0 0 "[ . 1 . 2]" 1
904 1 61 ASP HA 1 85 THR H 0.000 . 4.500 2.280 1.909 4.183 . 0 0 "[ . 1 . 2]" 1
905 1 61 ASP HB3 1 85 THR H 0.000 . 6.000 4.488 2.009 4.979 . 0 0 "[ . 1 . 2]" 1
906 1 61 ASP HB2 1 85 THR H 0.000 . 6.000 3.887 3.323 5.331 . 0 0 "[ . 1 . 2]" 1
907 1 61 ASP H 1 85 THR HA 0.000 . 6.000 4.479 4.275 5.259 . 0 0 "[ . 1 . 2]" 1
908 1 61 ASP H 1 85 THR HB 0.000 . 5.000 3.745 2.576 4.360 . 0 0 "[ . 1 . 2]" 1
909 1 61 ASP H 1 85 THR MG 0.000 . 5.000 4.777 3.933 5.279 0.279 19 0 "[ . 1 . 2]" 1
910 1 61 ASP H 1 86 LEU HA 0.000 . 5.000 3.473 3.180 4.043 . 0 0 "[ . 1 . 2]" 1
911 1 61 ASP H 1 62 GLY H 0.000 . 4.500 2.805 2.652 3.808 . 0 0 "[ . 1 . 2]" 1
912 1 61 ASP H 1 63 ARG H 0.000 . 6.000 4.204 4.036 4.447 . 0 0 "[ . 1 . 2]" 1
913 1 61 ASP H 1 85 THR H 0.000 . 5.000 2.910 2.417 3.623 . 0 0 "[ . 1 . 2]" 1
914 1 61 ASP H 1 87 GLU H 0.000 . 6.000 5.006 4.406 5.683 . 0 0 "[ . 1 . 2]" 1
915 1 62 GLY HA3 1 63 ARG H 0.000 . 4.000 3.329 3.020 3.558 . 0 0 "[ . 1 . 2]" 1
916 1 62 GLY HA2 1 63 ARG H 0.000 . 4.000 3.217 2.840 3.497 . 0 0 "[ . 1 . 2]" 1
917 1 62 GLY H 1 85 THR HB 0.000 . 6.000 3.631 2.394 4.981 . 0 0 "[ . 1 . 2]" 1
918 1 62 GLY H 1 85 THR MG 0.000 . 6.000 4.725 3.208 5.917 . 0 0 "[ . 1 . 2]" 1
919 1 62 GLY H 1 86 LEU HA 0.000 . 6.000 5.094 4.417 6.042 0.042 13 0 "[ . 1 . 2]" 1
920 1 62 GLY H 1 63 ARG H 0.000 . 4.000 2.658 2.182 2.903 . 0 0 "[ . 1 . 2]" 1
921 1 63 ARG HA 1 63 ARG QD 0.000 . 4.500 4.009 3.403 4.452 . 0 0 "[ . 1 . 2]" 1
922 1 63 ARG HA 1 63 ARG QG 0.000 . 4.000 2.525 2.166 3.365 . 0 0 "[ . 1 . 2]" 1
923 1 63 ARG HA 1 63 ARG HE 0.000 . 6.000 4.974 3.687 5.900 . 0 0 "[ . 1 . 2]" 1
924 1 63 ARG H 1 63 ARG HB3 0.000 . 4.000 3.623 2.703 3.859 . 0 0 "[ . 1 . 2]" 1
925 1 63 ARG H 1 63 ARG HB2 0.000 . 4.000 2.687 2.186 3.692 . 0 0 "[ . 1 . 2]" 1
926 1 63 ARG HB3 1 63 ARG HE 0.000 . 5.000 4.147 2.747 4.797 . 0 0 "[ . 1 . 2]" 1
927 1 63 ARG HB2 1 63 ARG HE 0.000 . 5.000 4.127 2.929 5.006 0.006 8 0 "[ . 1 . 2]" 1
928 1 63 ARG H 1 63 ARG QD 0.000 . 5.000 3.891 2.573 4.528 . 0 0 "[ . 1 . 2]" 1
929 1 63 ARG H 1 63 ARG QG 0.000 . 4.000 2.812 2.045 3.513 . 0 0 "[ . 1 . 2]" 1
930 1 63 ARG HA 1 64 SER H 0.000 . 3.000 2.257 2.138 2.541 . 0 0 "[ . 1 . 2]" 1
931 1 63 ARG HB3 1 64 SER H 0.000 . 4.000 2.983 2.192 4.049 0.049 14 0 "[ . 1 . 2]" 1
932 1 63 ARG HB2 1 64 SER H 0.000 . 4.000 3.850 2.903 4.043 0.043 8 0 "[ . 1 . 2]" 1
933 1 63 ARG QD 1 64 SER H 0.000 . 5.000 5.000 4.016 5.426 0.426 14 0 "[ . 1 . 2]" 1
934 1 63 ARG QG 1 64 SER H 0.000 . 5.000 3.943 3.040 4.543 . 0 0 "[ . 1 . 2]" 1
935 1 63 ARG QD 1 76 LEU QB 0.000 . 5.000 3.449 2.301 4.498 . 0 0 "[ . 1 . 2]" 1
936 1 63 ARG QD 1 76 LEU MD1 0.000 . 4.500 3.290 1.990 4.334 . 0 0 "[ . 1 . 2]" 1
937 1 63 ARG QD 1 76 LEU MD2 0.000 . 4.500 2.451 1.830 3.485 . 0 0 "[ . 1 . 2]" 1
938 1 63 ARG HE 1 76 LEU QD 0.000 . 5.000 3.865 2.503 4.912 . 0 0 "[ . 1 . 2]" 1
939 1 63 ARG H 1 64 SER H 0.000 . 5.000 4.485 4.269 4.610 . 0 0 "[ . 1 . 2]" 1
940 1 64 SER H 1 64 SER HB3 0.000 . 4.000 3.317 2.392 3.776 . 0 0 "[ . 1 . 2]" 1
941 1 64 SER H 1 64 SER HB2 0.000 . 4.000 2.771 2.238 3.673 . 0 0 "[ . 1 . 2]" 1
942 1 64 SER HA 1 65 LEU QD 0.000 . 6.000 3.583 2.709 4.350 . 0 0 "[ . 1 . 2]" 1
943 1 64 SER HA 1 65 LEU H 0.000 . 3.000 2.164 2.135 2.244 . 0 0 "[ . 1 . 2]" 1
944 1 64 SER QB 1 66 VAL H 0.000 . 5.000 3.486 2.814 4.320 . 0 0 "[ . 1 . 2]" 1
945 1 64 SER H 1 65 LEU H 0.000 . 5.000 4.415 4.078 4.579 . 0 0 "[ . 1 . 2]" 1
946 1 65 LEU HA 1 65 LEU QD 0.000 . 4.000 2.784 2.071 3.461 . 0 0 "[ . 1 . 2]" 1
947 1 65 LEU H 1 65 LEU MD1 0.000 . 5.000 3.259 2.086 4.123 . 0 0 "[ . 1 . 2]" 1
948 1 65 LEU H 1 65 LEU MD2 0.000 . 5.000 3.729 2.110 4.562 . 0 0 "[ . 1 . 2]" 1
949 1 65 LEU H 1 65 LEU HG 0.000 . 4.000 2.854 2.045 3.833 . 0 0 "[ . 1 . 2]" 1
950 1 65 LEU HA 1 66 VAL H 0.000 . 4.000 2.619 2.177 3.342 . 0 0 "[ . 1 . 2]" 1
951 1 65 LEU QB 1 66 VAL H 0.000 . 6.000 3.778 3.320 3.953 . 0 0 "[ . 1 . 2]" 1
952 1 65 LEU H 1 66 VAL HB 0.000 . 6.000 5.074 3.825 5.809 . 0 0 "[ . 1 . 2]" 1
953 1 65 LEU H 1 66 VAL QG 0.000 . 5.000 3.179 2.596 3.688 . 0 0 "[ . 1 . 2]" 1
954 1 65 LEU HA 1 67 GLY H 0.000 . 5.000 4.783 3.494 5.035 0.035 16 0 "[ . 1 . 2]" 1
955 1 65 LEU QD 1 73 ALA HA 0.000 . 5.000 2.203 1.864 2.977 . 0 0 "[ . 1 . 2]" 1
956 1 65 LEU QD 1 77 MET HG3 0.000 . 5.000 3.613 2.216 4.857 . 0 0 "[ . 1 . 2]" 1
957 1 65 LEU QD 1 77 MET HG2 0.000 . 5.000 4.267 2.779 5.014 0.014 16 0 "[ . 1 . 2]" 1
958 1 65 LEU HG 1 77 MET H 0.000 . 5.000 7.390 6.307 9.026 4.026 15 20 [******-*******+*****] 1
959 1 66 VAL H 1 66 VAL HB 0.000 . 3.000 2.792 2.609 3.010 0.010 7 0 "[ . 1 . 2]" 1
960 1 66 VAL H 1 66 VAL QG 0.000 . 3.000 2.382 1.953 2.754 . 0 0 "[ . 1 . 2]" 1
961 1 66 VAL H 1 66 VAL MG1 0.000 . 4.000 3.525 1.959 3.967 . 0 0 "[ . 1 . 2]" 1
962 1 66 VAL H 1 66 VAL MG2 0.000 . 4.000 2.755 2.049 3.887 . 0 0 "[ . 1 . 2]" 1
963 1 66 VAL HA 1 67 GLY H 0.000 . 4.000 2.250 2.175 2.693 . 0 0 "[ . 1 . 2]" 1
964 1 66 VAL HB 1 67 GLY H 0.000 . 5.000 4.412 4.174 4.614 . 0 0 "[ . 1 . 2]" 1
965 1 66 VAL QG 1 67 GLY HA3 0.000 . 6.000 3.917 3.668 4.286 . 0 0 "[ . 1 . 2]" 1
966 1 66 VAL QG 1 67 GLY HA2 0.000 . 6.000 3.966 3.724 4.276 . 0 0 "[ . 1 . 2]" 1
967 1 66 VAL QG 1 67 GLY H 0.000 . 4.000 3.256 3.083 3.466 . 0 0 "[ . 1 . 2]" 1
968 1 66 VAL MG1 1 67 GLY H 0.000 . 5.000 3.474 3.156 4.199 . 0 0 "[ . 1 . 2]" 1
969 1 66 VAL MG2 1 67 GLY H 0.000 . 5.000 4.205 3.402 4.442 . 0 0 "[ . 1 . 2]" 1
970 1 66 VAL HA 1 68 LEU H 0.000 . 5.000 3.987 3.699 4.062 . 0 0 "[ . 1 . 2]" 1
971 1 66 VAL QG 1 68 LEU H 0.000 . 5.000 4.682 4.472 4.778 . 0 0 "[ . 1 . 2]" 1
972 1 66 VAL MG1 1 68 LEU H 0.000 . 6.000 5.103 4.937 5.714 . 0 0 "[ . 1 . 2]" 1
973 1 66 VAL MG2 1 68 LEU H 0.000 . 6.000 5.496 5.073 5.876 . 0 0 "[ . 1 . 2]" 1
974 1 66 VAL H 1 68 LEU HG 0.000 . 5.000 4.374 3.627 5.003 0.003 6 0 "[ . 1 . 2]" 1
975 1 66 VAL H 1 68 LEU QD 0.000 . 4.000 3.702 2.726 4.025 0.025 8 0 "[ . 1 . 2]" 1
976 1 66 VAL H 1 67 GLY H 0.000 . 5.000 3.890 2.940 4.114 . 0 0 "[ . 1 . 2]" 1
977 1 67 GLY HA3 1 68 LEU H 0.000 . 4.000 3.310 2.931 3.553 . 0 0 "[ . 1 . 2]" 1
978 1 67 GLY HA2 1 68 LEU H 0.000 . 4.000 3.152 2.838 3.513 . 0 0 "[ . 1 . 2]" 1
979 1 67 GLY H 1 68 LEU QD 0.000 . 5.000 4.106 3.030 4.640 . 0 0 "[ . 1 . 2]" 1
980 1 67 GLY H 1 68 LEU HG 0.000 . 4.000 3.940 2.407 4.503 0.503 17 1 "[ . 1 . + 2]" 1
981 1 67 GLY H 1 68 LEU H 0.000 . 4.000 2.141 1.924 2.631 . 0 0 "[ . 1 . 2]" 1
982 1 68 LEU HA 1 68 LEU QD 0.000 . 4.000 2.668 1.941 3.423 . 0 0 "[ . 1 . 2]" 1
983 1 68 LEU HA 1 68 LEU HG 0.000 . 4.000 3.123 2.537 3.680 . 0 0 "[ . 1 . 2]" 1
984 1 68 LEU H 1 68 LEU QD 0.000 . 4.000 3.113 2.235 3.694 . 0 0 "[ . 1 . 2]" 1
985 1 68 LEU H 1 68 LEU HG 0.000 . 4.000 2.610 1.916 3.462 . 0 0 "[ . 1 . 2]" 1
986 1 68 LEU HA 1 69 SER H 0.000 . 3.000 2.508 2.331 2.729 . 0 0 "[ . 1 . 2]" 1
987 1 68 LEU QB 1 69 SER H 0.000 . 4.000 2.233 2.010 2.610 . 0 0 "[ . 1 . 2]" 1
988 1 68 LEU QD 1 69 SER H 0.000 . 4.000 3.126 2.641 3.667 . 0 0 "[ . 1 . 2]" 1
989 1 68 LEU HA 1 72 ARG H 0.000 . 6.000 5.883 5.611 6.015 0.015 18 0 "[ . 1 . 2]" 1
990 1 68 LEU QB 1 72 ARG QB 0.000 . 5.000 2.025 1.868 2.396 . 0 0 "[ . 1 . 2]" 1
991 1 68 LEU QB 1 72 ARG H 0.000 . 5.000 4.029 3.730 4.358 . 0 0 "[ . 1 . 2]" 1
992 1 68 LEU HG 1 72 ARG QB 0.000 . 5.000 4.190 3.668 4.450 . 0 0 "[ . 1 . 2]" 1
993 1 68 LEU QD 1 72 ARG QB 0.000 . 4.500 2.100 1.745 2.325 . 0 0 "[ . 1 . 2]" 1
994 1 68 LEU MD1 1 72 ARG QD 0.000 . 5.000 4.313 3.294 4.987 . 0 0 "[ . 1 . 2]" 1
995 1 68 LEU MD2 1 72 ARG QD 0.000 . 5.000 3.676 2.149 4.909 . 0 0 "[ . 1 . 2]" 1
996 1 68 LEU QD 1 72 ARG QG 0.000 . 4.000 2.399 1.793 3.442 . 0 0 "[ . 1 . 2]" 1
997 1 68 LEU QD 1 72 ARG HE 0.000 . 4.500 3.226 1.930 4.301 . 0 0 "[ . 1 . 2]" 1
998 1 68 LEU QD 1 72 ARG H 0.000 . 4.500 4.200 3.196 4.565 0.065 7 0 "[ . 1 . 2]" 1
999 1 68 LEU QB 1 73 ALA H 0.000 . 4.000 3.675 3.292 4.030 0.030 9 0 "[ . 1 . 2]" 1
1000 1 68 LEU QD 1 73 ALA H 0.000 . 4.000 3.484 2.031 4.030 0.030 2 0 "[ . 1 . 2]" 1
1001 1 69 SER H 1 69 SER HB3 0.000 . 4.000 3.226 2.548 3.745 . 0 0 "[ . 1 . 2]" 1
1002 1 69 SER H 1 69 SER HB2 0.000 . 4.000 2.813 2.179 3.650 . 0 0 "[ . 1 . 2]" 1
1003 1 69 SER HA 1 70 GLN H 0.000 . 3.000 2.501 2.365 2.698 . 0 0 "[ . 1 . 2]" 1
1004 1 69 SER HB3 1 70 GLN H 0.000 . 4.000 2.854 2.152 3.888 . 0 0 "[ . 1 . 2]" 1
1005 1 69 SER HB2 1 70 GLN H 0.000 . 4.000 3.250 2.179 3.964 . 0 0 "[ . 1 . 2]" 1
1006 1 69 SER HA 1 71 GLU H 0.000 . 5.000 4.346 4.172 4.514 . 0 0 "[ . 1 . 2]" 1
1007 1 69 SER QB 1 71 GLU H 0.000 . 4.500 2.580 2.335 3.083 . 0 0 "[ . 1 . 2]" 1
1008 1 69 SER QB 1 72 ARG H 0.000 . 6.000 3.221 2.699 4.026 . 0 0 "[ . 1 . 2]" 1
1009 1 69 SER H 1 72 ARG QB 0.000 . 4.000 2.669 2.112 3.051 . 0 0 "[ . 1 . 2]" 1
1010 1 69 SER H 1 72 ARG HD3 0.000 . 6.000 5.038 3.418 6.006 0.006 7 0 "[ . 1 . 2]" 1
1011 1 69 SER H 1 72 ARG HD2 0.000 . 6.000 5.488 5.031 6.005 0.005 9 0 "[ . 1 . 2]" 1
1012 1 69 SER H 1 72 ARG HE 0.000 . 6.000 5.036 2.533 5.998 . 0 0 "[ . 1 . 2]" 1
1013 1 69 SER H 1 72 ARG QG 0.000 . 5.000 3.273 2.477 4.234 . 0 0 "[ . 1 . 2]" 1
1014 1 69 SER H 1 70 GLN H 0.000 . 5.000 4.536 4.387 4.630 . 0 0 "[ . 1 . 2]" 1
1015 1 69 SER H 1 73 ALA H 0.000 . 6.000 4.428 3.914 5.011 . 0 0 "[ . 1 . 2]" 1
1016 1 70 GLN HA 1 70 GLN HG3 0.000 . 4.500 2.416 2.241 2.946 . 0 0 "[ . 1 . 2]" 1
1017 1 70 GLN HA 1 70 GLN HG2 0.000 . 4.500 3.003 2.715 3.321 . 0 0 "[ . 1 . 2]" 1
1018 1 70 GLN H 1 70 GLN HB3 0.000 . 4.000 2.777 2.552 2.999 . 0 0 "[ . 1 . 2]" 1
1019 1 70 GLN H 1 70 GLN HB2 0.000 . 4.000 2.319 2.168 2.511 . 0 0 "[ . 1 . 2]" 1
1020 1 70 GLN HA 1 71 GLU H 0.000 . 4.500 3.515 3.480 3.541 . 0 0 "[ . 1 . 2]" 1
1021 1 70 GLN QB 1 71 GLU H 0.000 . 4.000 2.759 2.592 2.921 . 0 0 "[ . 1 . 2]" 1
1022 1 70 GLN QG 1 71 GLU H 0.000 . 5.000 4.078 3.800 4.337 . 0 0 "[ . 1 . 2]" 1
1023 1 70 GLN HA 1 72 ARG H 0.000 . 5.000 4.568 4.173 4.876 . 0 0 "[ . 1 . 2]" 1
1024 1 70 GLN HA 1 73 ALA MB 0.000 . 4.500 2.743 2.346 3.319 . 0 0 "[ . 1 . 2]" 1
1025 1 70 GLN HA 1 73 ALA H 0.000 . 4.000 3.566 3.264 3.856 . 0 0 "[ . 1 . 2]" 1
1026 1 70 GLN HA 1 74 ALA H 0.000 . 5.000 3.695 3.380 3.974 . 0 0 "[ . 1 . 2]" 1
1027 1 70 GLN HE21 1 74 ALA MB 0.000 . 6.000 4.223 3.631 4.824 . 0 0 "[ . 1 . 2]" 1
1028 1 70 GLN HE22 1 74 ALA MB 0.000 . 6.000 5.482 4.748 6.009 0.009 7 0 "[ . 1 . 2]" 1
1029 1 70 GLN HG3 1 74 ALA H 0.000 . 5.000 4.632 4.231 5.007 0.007 1 0 "[ . 1 . 2]" 1
1030 1 70 GLN HG2 1 74 ALA H 0.000 . 5.000 4.148 3.417 4.570 . 0 0 "[ . 1 . 2]" 1
1031 1 70 GLN H 1 71 GLU H 0.000 . 4.000 2.721 2.664 2.794 . 0 0 "[ . 1 . 2]" 1
1032 1 70 GLN H 1 72 ARG H 0.000 . 5.000 4.520 4.251 4.755 . 0 0 "[ . 1 . 2]" 1
1033 1 71 GLU H 1 71 GLU HB3 0.000 . 4.000 3.169 2.540 3.596 . 0 0 "[ . 1 . 2]" 1
1034 1 71 GLU H 1 71 GLU HB2 0.000 . 4.000 2.430 2.078 3.600 . 0 0 "[ . 1 . 2]" 1
1035 1 71 GLU H 1 71 GLU QG 0.000 . 4.500 3.211 2.015 4.033 . 0 0 "[ . 1 . 2]" 1
1036 1 71 GLU HA 1 72 ARG H 0.000 . 4.000 3.562 3.508 3.585 . 0 0 "[ . 1 . 2]" 1
1037 1 71 GLU QB 1 72 ARG H 0.000 . 4.000 2.542 2.210 3.452 . 0 0 "[ . 1 . 2]" 1
1038 1 71 GLU HG3 1 72 ARG H 0.000 . 5.000 4.385 2.044 4.921 . 0 0 "[ . 1 . 2]" 1
1039 1 71 GLU HG2 1 72 ARG H 0.000 . 5.000 4.447 2.022 5.008 0.008 2 0 "[ . 1 . 2]" 1
1040 1 71 GLU H 1 72 ARG QG 0.000 . 6.000 5.195 4.133 6.044 0.044 15 0 "[ . 1 . 2]" 1
1041 1 71 GLU HA 1 73 ALA H 0.000 . 5.000 4.668 4.305 4.859 . 0 0 "[ . 1 . 2]" 1
1042 1 71 GLU HA 1 74 ALA MB 0.000 . 4.000 2.985 2.532 3.412 . 0 0 "[ . 1 . 2]" 1
1043 1 71 GLU HA 1 74 ALA H 0.000 . 4.000 3.860 3.570 4.003 0.003 15 0 "[ . 1 . 2]" 1
1044 1 71 GLU QG 1 74 ALA MB 0.000 . 5.000 4.450 3.734 5.006 0.006 5 0 "[ . 1 . 2]" 1
1045 1 71 GLU H 1 74 ALA MB 0.000 . 6.000 4.712 4.485 5.075 . 0 0 "[ . 1 . 2]" 1
1046 1 71 GLU H 1 72 ARG H 0.000 . 4.000 2.758 2.541 2.918 . 0 0 "[ . 1 . 2]" 1
1047 1 71 GLU H 1 73 ALA H 0.000 . 5.000 4.223 3.987 4.451 . 0 0 "[ . 1 . 2]" 1
1048 1 72 ARG HA 1 72 ARG HD3 0.000 . 4.000 2.928 1.959 3.878 . 0 0 "[ . 1 . 2]" 1
1049 1 72 ARG HA 1 72 ARG HD2 0.000 . 4.000 2.616 1.967 3.450 . 0 0 "[ . 1 . 2]" 1
1050 1 72 ARG HA 1 72 ARG HE 0.000 . 5.000 4.565 3.159 4.981 . 0 0 "[ . 1 . 2]" 1
1051 1 72 ARG HA 1 72 ARG QG 0.000 . 4.000 2.601 2.267 3.016 . 0 0 "[ . 1 . 2]" 1
1052 1 72 ARG QB 1 72 ARG HE 0.000 . 5.000 3.328 2.077 4.156 . 0 0 "[ . 1 . 2]" 1
1053 1 72 ARG H 1 72 ARG HD3 0.000 . 6.000 3.785 2.260 5.146 . 0 0 "[ . 1 . 2]" 1
1054 1 72 ARG H 1 72 ARG HD2 0.000 . 6.000 4.198 3.234 4.950 . 0 0 "[ . 1 . 2]" 1
1055 1 72 ARG H 1 72 ARG QG 0.000 . 4.000 2.906 2.038 3.891 . 0 0 "[ . 1 . 2]" 1
1056 1 72 ARG HA 1 73 ALA H 0.000 . 4.000 3.561 3.538 3.582 . 0 0 "[ . 1 . 2]" 1
1057 1 72 ARG H 1 73 ALA MB 0.000 . 6.000 4.385 4.212 4.526 . 0 0 "[ . 1 . 2]" 1
1058 1 72 ARG HA 1 75 GLU QB 0.000 . 4.000 2.763 2.430 3.038 . 0 0 "[ . 1 . 2]" 1
1059 1 72 ARG HA 1 75 GLU QG 0.000 . 5.000 4.279 3.823 4.812 . 0 0 "[ . 1 . 2]" 1
1060 1 72 ARG HA 1 75 GLU H 0.000 . 4.000 3.739 3.568 4.014 0.014 20 0 "[ . 1 . 2]" 1
1061 1 72 ARG QD 1 75 GLU QB 0.000 . 5.000 3.948 3.519 4.220 . 0 0 "[ . 1 . 2]" 1
1062 1 72 ARG QD 1 75 GLU QG 0.000 . 6.000 4.693 4.271 5.028 . 0 0 "[ . 1 . 2]" 1
1063 1 72 ARG HA 1 76 LEU QD 0.000 . 6.000 3.959 3.523 4.669 . 0 0 "[ . 1 . 2]" 1
1064 1 72 ARG H 1 73 ALA H 0.000 . 4.000 2.747 2.597 2.892 . 0 0 "[ . 1 . 2]" 1
1065 1 72 ARG H 1 74 ALA H 0.000 . 5.000 4.382 4.017 4.566 . 0 0 "[ . 1 . 2]" 1
1066 1 73 ALA H 1 73 ALA MB 0.000 . 3.000 2.165 2.090 2.257 . 0 0 "[ . 1 . 2]" 1
1067 1 73 ALA HA 1 74 ALA H 0.000 . 4.500 3.571 3.544 3.579 . 0 0 "[ . 1 . 2]" 1
1068 1 73 ALA MB 1 74 ALA H 0.000 . 4.000 2.389 2.238 2.546 . 0 0 "[ . 1 . 2]" 1
1069 1 73 ALA HA 1 76 LEU HB3 0.000 . 4.500 4.257 3.871 4.499 . 0 0 "[ . 1 . 2]" 1
1070 1 73 ALA HA 1 76 LEU HB2 0.000 . 4.500 2.719 2.397 3.013 . 0 0 "[ . 1 . 2]" 1
1071 1 73 ALA HA 1 76 LEU QD 0.000 . 4.000 2.904 2.397 3.346 . 0 0 "[ . 1 . 2]" 1
1072 1 73 ALA HA 1 76 LEU HG 0.000 . 5.000 4.405 3.908 4.980 . 0 0 "[ . 1 . 2]" 1
1073 1 73 ALA HA 1 76 LEU H 0.000 . 4.000 3.536 3.368 3.985 . 0 0 "[ . 1 . 2]" 1
1074 1 73 ALA HA 1 77 MET QG 0.000 . 6.000 4.359 3.481 5.421 . 0 0 "[ . 1 . 2]" 1
1075 1 73 ALA HA 1 77 MET H 0.000 . 5.000 4.166 3.779 4.576 . 0 0 "[ . 1 . 2]" 1
1076 1 74 ALA H 1 74 ALA MB 0.000 . 3.000 2.184 2.109 2.241 . 0 0 "[ . 1 . 2]" 1
1077 1 74 ALA HA 1 75 GLU H 0.000 . 4.500 3.547 3.521 3.571 . 0 0 "[ . 1 . 2]" 1
1078 1 74 ALA MB 1 75 GLU H 0.000 . 3.000 2.534 1.995 2.672 . 0 0 "[ . 1 . 2]" 1
1079 1 74 ALA HA 1 77 MET HG3 0.000 . 6.000 4.122 2.520 5.377 . 0 0 "[ . 1 . 2]" 1
1080 1 74 ALA HA 1 77 MET HG2 0.000 . 6.000 5.159 4.238 6.001 0.001 20 0 "[ . 1 . 2]" 1
1081 1 74 ALA MB 1 77 MET QG 0.000 . 6.000 5.137 4.063 5.980 . 0 0 "[ . 1 . 2]" 1
1082 1 74 ALA HA 1 77 MET H 0.000 . 4.000 3.456 3.319 3.854 . 0 0 "[ . 1 . 2]" 1
1083 1 74 ALA H 1 75 GLU H 0.000 . 4.000 2.730 2.614 2.974 . 0 0 "[ . 1 . 2]" 1
1084 1 74 ALA H 1 76 LEU H 0.000 . 5.000 4.077 3.938 4.158 . 0 0 "[ . 1 . 2]" 1
1085 1 74 ALA H 1 77 MET H 0.000 . 6.000 4.739 4.573 4.901 . 0 0 "[ . 1 . 2]" 1
1086 1 75 GLU HA 1 75 GLU HG3 0.000 . 4.000 2.583 2.132 3.108 . 0 0 "[ . 1 . 2]" 1
1087 1 75 GLU HA 1 75 GLU HG2 0.000 . 4.000 3.654 3.056 3.810 . 0 0 "[ . 1 . 2]" 1
1088 1 75 GLU H 1 75 GLU QB 0.000 . 3.000 2.200 2.064 2.258 . 0 0 "[ . 1 . 2]" 1
1089 1 75 GLU H 1 75 GLU QG 0.000 . 4.000 3.999 3.898 4.036 0.036 4 0 "[ . 1 . 2]" 1
1090 1 75 GLU HA 1 76 LEU H 0.000 . 4.500 3.524 3.493 3.549 . 0 0 "[ . 1 . 2]" 1
1091 1 75 GLU QB 1 76 LEU H 0.000 . 4.000 2.758 2.637 2.940 . 0 0 "[ . 1 . 2]" 1
1092 1 75 GLU QG 1 76 LEU QD 0.000 . 5.000 4.433 4.082 5.013 0.013 12 0 "[ . 1 . 2]" 1
1093 1 75 GLU HA 1 78 THR HB 0.000 . 4.500 3.914 3.305 4.114 . 0 0 "[ . 1 . 2]" 1
1094 1 75 GLU HA 1 78 THR MG 0.000 . 4.500 2.057 1.852 3.825 . 0 0 "[ . 1 . 2]" 1
1095 1 75 GLU QB 1 78 THR MG 0.000 . 5.000 3.822 3.616 5.434 0.434 20 0 "[ . 1 . 2]" 1
1096 1 75 GLU QG 1 78 THR MG 0.000 . 6.000 3.206 2.719 5.013 . 0 0 "[ . 1 . 2]" 1
1097 1 75 GLU HA 1 78 THR H 0.000 . 4.000 3.627 3.436 3.914 . 0 0 "[ . 1 . 2]" 1
1098 1 75 GLU H 1 78 THR MG 0.000 . 5.000 4.198 3.947 5.124 0.124 20 0 "[ . 1 . 2]" 1
1099 1 75 GLU QG 1 79 ARG QD 0.000 . 5.000 3.527 1.888 4.773 . 0 0 "[ . 1 . 2]" 1
1100 1 75 GLU HG3 1 79 ARG HE 0.000 . 6.000 3.955 2.378 5.570 . 0 0 "[ . 1 . 2]" 1
1101 1 75 GLU HG2 1 79 ARG HE 0.000 . 6.000 4.730 2.545 6.008 0.008 11 0 "[ . 1 . 2]" 1
1102 1 75 GLU H 1 77 MET H 0.000 . 5.000 4.158 4.055 4.427 . 0 0 "[ . 1 . 2]" 1
1103 1 76 LEU HA 1 76 LEU HG 0.000 . 4.500 2.700 2.462 2.980 . 0 0 "[ . 1 . 2]" 1
1104 1 76 LEU HA 1 76 LEU QD 0.000 . 3.000 2.159 1.956 2.450 . 0 0 "[ . 1 . 2]" 1
1105 1 76 LEU H 1 76 LEU HB3 0.000 . 4.000 3.523 3.461 3.582 . 0 0 "[ . 1 . 2]" 1
1106 1 76 LEU H 1 76 LEU HB2 0.000 . 4.000 2.240 2.158 2.346 . 0 0 "[ . 1 . 2]" 1
1107 1 76 LEU H 1 76 LEU QD 0.000 . 4.000 3.345 3.136 3.475 . 0 0 "[ . 1 . 2]" 1
1108 1 76 LEU H 1 76 LEU HG 0.000 . 4.000 2.945 2.700 3.143 . 0 0 "[ . 1 . 2]" 1
1109 1 76 LEU HA 1 77 MET H 0.000 . 4.500 3.534 3.505 3.570 . 0 0 "[ . 1 . 2]" 1
1110 1 76 LEU QB 1 77 MET H 0.000 . 4.000 2.729 2.505 2.878 . 0 0 "[ . 1 . 2]" 1
1111 1 76 LEU QD 1 77 MET H 0.000 . 5.000 4.181 4.046 4.263 . 0 0 "[ . 1 . 2]" 1
1112 1 76 LEU HA 1 79 ARG H 0.000 . 4.500 3.514 3.304 4.034 . 0 0 "[ . 1 . 2]" 1
1113 1 76 LEU HA 1 79 ARG QB 0.000 . 4.000 3.354 2.507 4.005 0.005 2 0 "[ . 1 . 2]" 1
1114 1 76 LEU HA 1 79 ARG QD 0.000 . 5.000 3.738 2.064 5.031 0.031 14 0 "[ . 1 . 2]" 1
1115 1 76 LEU HA 1 79 ARG HE 0.000 . 6.000 4.552 2.835 5.971 . 0 0 "[ . 1 . 2]" 1
1116 1 76 LEU QD 1 79 ARG HE 0.000 . 6.000 4.581 3.356 6.011 0.011 14 0 "[ . 1 . 2]" 1
1117 1 76 LEU QD 1 79 ARG H 0.000 . 6.000 4.833 4.562 5.190 . 0 0 "[ . 1 . 2]" 1
1118 1 76 LEU H 1 77 MET H 0.000 . 4.000 2.515 2.422 2.630 . 0 0 "[ . 1 . 2]" 1
1119 1 76 LEU H 1 78 THR H 0.000 . 5.000 4.039 3.718 4.268 . 0 0 "[ . 1 . 2]" 1
1120 1 77 MET H 1 77 MET HB3 0.000 . 4.000 3.520 3.173 3.622 . 0 0 "[ . 1 . 2]" 1
1121 1 77 MET H 1 77 MET HB2 0.000 . 4.000 2.307 2.097 2.569 . 0 0 "[ . 1 . 2]" 1
1122 1 77 MET H 1 77 MET HG3 0.000 . 4.500 2.906 2.326 4.002 . 0 0 "[ . 1 . 2]" 1
1123 1 77 MET H 1 77 MET HG2 0.000 . 4.500 3.801 2.800 4.401 . 0 0 "[ . 1 . 2]" 1
1124 1 77 MET HA 1 78 THR H 0.000 . 4.000 3.527 3.363 3.571 . 0 0 "[ . 1 . 2]" 1
1125 1 77 MET HB3 1 78 THR H 0.000 . 6.000 3.554 3.161 3.798 . 0 0 "[ . 1 . 2]" 1
1126 1 77 MET HB2 1 78 THR H 0.000 . 6.000 2.943 2.640 3.874 . 0 0 "[ . 1 . 2]" 1
1127 1 77 MET HA 1 80 THR MG 0.000 . 4.000 2.272 2.062 2.641 . 0 0 "[ . 1 . 2]" 1
1128 1 77 MET QB 1 80 THR MG 0.000 . 4.500 3.800 3.514 4.142 . 0 0 "[ . 1 . 2]" 1
1129 1 77 MET HG3 1 80 THR MG 0.000 . 6.000 4.532 3.818 5.368 . 0 0 "[ . 1 . 2]" 1
1130 1 77 MET HG2 1 80 THR MG 0.000 . 6.000 3.885 2.487 4.480 . 0 0 "[ . 1 . 2]" 1
1131 1 77 MET QB 1 84 VAL QG 0.000 . 5.000 4.313 3.729 5.024 0.024 14 0 "[ . 1 . 2]" 1
1132 1 77 MET HB3 1 86 LEU QD 0.000 . 5.000 4.136 3.484 4.616 . 0 0 "[ . 1 . 2]" 1
1133 1 77 MET HB2 1 86 LEU QD 0.000 . 5.000 4.866 4.111 5.051 0.051 14 0 "[ . 1 . 2]" 1
1134 1 77 MET QG 1 86 LEU QD 0.000 . 5.000 2.780 2.012 3.488 . 0 0 "[ . 1 . 2]" 1
1135 1 77 MET HA 1 80 THR H 0.000 . 5.000 4.934 4.345 5.047 0.047 13 0 "[ . 1 . 2]" 1
1136 1 78 THR H 1 78 THR HB 0.000 . 3.000 2.606 2.496 3.022 0.022 20 0 "[ . 1 . 2]" 1
1137 1 78 THR H 1 78 THR MG 0.000 . 4.000 2.264 2.051 3.664 . 0 0 "[ . 1 . 2]" 1
1138 1 78 THR HA 1 79 ARG H 0.000 . 4.000 3.509 3.485 3.544 . 0 0 "[ . 1 . 2]" 1
1139 1 78 THR HB 1 79 ARG H 0.000 . 4.000 3.965 3.049 4.047 0.047 15 0 "[ . 1 . 2]" 1
1140 1 78 THR MG 1 79 ARG H 0.000 . 4.000 2.287 2.018 4.236 0.236 20 0 "[ . 1 . 2]" 1
1141 1 78 THR HA 1 80 THR H 0.000 . 5.000 3.829 3.573 4.223 . 0 0 "[ . 1 . 2]" 1
1142 1 78 THR H 1 79 ARG H 0.000 . 3.000 2.532 2.373 2.688 . 0 0 "[ . 1 . 2]" 1
1143 1 78 THR H 1 80 THR H 0.000 . 6.000 4.906 4.372 5.273 . 0 0 "[ . 1 . 2]" 1
1144 1 79 ARG HA 1 79 ARG HE 0.000 . 5.000 4.794 4.412 5.021 0.021 15 0 "[ . 1 . 2]" 1
1145 1 79 ARG HB3 1 79 ARG HE 0.000 . 5.000 3.052 2.090 4.412 . 0 0 "[ . 1 . 2]" 1
1146 1 79 ARG HB2 1 79 ARG HE 0.000 . 5.000 3.143 2.090 4.638 . 0 0 "[ . 1 . 2]" 1
1147 1 79 ARG H 1 79 ARG HB3 0.000 . 4.000 3.325 2.727 3.687 . 0 0 "[ . 1 . 2]" 1
1148 1 79 ARG H 1 79 ARG HB2 0.000 . 4.000 2.849 2.179 3.675 . 0 0 "[ . 1 . 2]" 1
1149 1 79 ARG H 1 79 ARG QD 0.000 . 5.000 4.112 3.350 4.865 . 0 0 "[ . 1 . 2]" 1
1150 1 79 ARG H 1 79 ARG QG 0.000 . 4.000 2.491 1.992 3.278 . 0 0 "[ . 1 . 2]" 1
1151 1 79 ARG HA 1 80 THR H 0.000 . 3.000 2.675 2.502 2.936 . 0 0 "[ . 1 . 2]" 1
1152 1 79 ARG HB3 1 80 THR H 0.000 . 5.000 4.488 4.332 4.691 . 0 0 "[ . 1 . 2]" 1
1153 1 79 ARG HB2 1 80 THR H 0.000 . 5.000 4.421 4.145 4.501 . 0 0 "[ . 1 . 2]" 1
1154 1 79 ARG QG 1 80 THR H 0.000 . 6.000 4.354 3.919 4.593 . 0 0 "[ . 1 . 2]" 1
1155 1 80 THR H 1 80 THR MG 0.000 . 4.000 2.931 2.428 3.216 . 0 0 "[ . 1 . 2]" 1
1156 1 80 THR HA 1 81 SER H 0.000 . 4.000 2.501 2.379 2.666 . 0 0 "[ . 1 . 2]" 1
1157 1 80 THR HB 1 81 SER H 0.000 . 4.000 2.235 1.946 2.577 . 0 0 "[ . 1 . 2]" 1
1158 1 80 THR MG 1 81 SER H 0.000 . 4.000 3.509 3.239 3.634 . 0 0 "[ . 1 . 2]" 1
1159 1 80 THR HB 1 82 SER H 0.000 . 6.000 5.976 5.858 6.034 0.034 15 0 "[ . 1 . 2]" 1
1160 1 80 THR HA 1 84 VAL QG 0.000 . 5.000 4.004 3.378 4.980 . 0 0 "[ . 1 . 2]" 1
1161 1 80 THR HB 1 84 VAL HB 0.000 . 6.000 4.612 2.239 6.006 0.006 12 0 "[ . 1 . 2]" 1
1162 1 80 THR HB 1 84 VAL QG 0.000 . 4.000 2.185 1.798 3.104 . 0 0 "[ . 1 . 2]" 1
1163 1 80 THR MG 1 84 VAL HB 0.000 . 5.000 4.330 2.473 5.583 0.583 12 1 "[ . 1 + . 2]" 1
1164 1 80 THR MG 1 84 VAL QG 0.000 . 4.000 2.122 1.794 2.861 . 0 0 "[ . 1 . 2]" 1
1165 1 80 THR MG 1 85 THR H 0.000 . 6.000 5.067 4.509 5.564 . 0 0 "[ . 1 . 2]" 1
1166 1 80 THR H 1 81 SER H 0.000 . 5.000 4.495 4.411 4.559 . 0 0 "[ . 1 . 2]" 1
1167 1 81 SER HA 1 82 SER H 0.000 . 4.000 2.746 2.607 2.851 . 0 0 "[ . 1 . 2]" 1
1168 1 81 SER QB 1 82 SER H 0.000 . 3.000 2.150 1.962 2.688 . 0 0 "[ . 1 . 2]" 1
1169 1 81 SER H 1 82 SER HA 0.000 . 6.000 5.647 5.331 5.824 . 0 0 "[ . 1 . 2]" 1
1170 1 81 SER HA 1 83 VAL H 0.000 . 5.000 4.672 4.428 4.974 . 0 0 "[ . 1 . 2]" 1
1171 1 81 SER QB 1 83 VAL HB 0.000 . 6.000 4.482 3.860 5.402 . 0 0 "[ . 1 . 2]" 1
1172 1 81 SER H 1 84 VAL HA 0.000 . 5.000 4.873 4.403 5.022 0.022 6 0 "[ . 1 . 2]" 1
1173 1 81 SER QB 1 84 VAL QG 0.000 . 6.000 4.255 3.026 4.903 . 0 0 "[ . 1 . 2]" 1
1174 1 81 SER H 1 84 VAL QG 0.000 . 4.500 3.261 2.494 4.238 . 0 0 "[ . 1 . 2]" 1
1175 1 81 SER H 1 82 SER H 0.000 . 6.000 4.426 4.267 4.543 . 0 0 "[ . 1 . 2]" 1
1176 1 82 SER HA 1 83 VAL H 0.000 . 4.000 3.542 3.490 3.576 . 0 0 "[ . 1 . 2]" 1
1177 1 82 SER QB 1 83 VAL QG 0.000 . 5.000 2.854 2.337 4.060 . 0 0 "[ . 1 . 2]" 1
1178 1 82 SER H 1 83 VAL HB 0.000 . 6.000 5.300 5.203 5.414 . 0 0 "[ . 1 . 2]" 1
1179 1 82 SER H 1 83 VAL QG 0.000 . 6.000 4.255 3.720 4.490 . 0 0 "[ . 1 . 2]" 1
1180 1 82 SER H 1 83 VAL H 0.000 . 4.000 2.780 2.530 2.909 . 0 0 "[ . 1 . 2]" 1
1181 1 83 VAL HA 1 83 VAL MG1 0.000 . 3.000 2.361 2.218 3.162 0.162 11 0 "[ . 1 . 2]" 1
1182 1 83 VAL HA 1 83 VAL MG2 0.000 . 3.000 2.419 2.316 2.519 . 0 0 "[ . 1 . 2]" 1
1183 1 83 VAL H 1 83 VAL HB 0.000 . 3.000 2.670 2.527 2.839 . 0 0 "[ . 1 . 2]" 1
1184 1 83 VAL H 1 83 VAL QG 0.000 . 3.000 2.434 2.049 2.839 . 0 0 "[ . 1 . 2]" 1
1185 1 83 VAL H 1 83 VAL MG1 0.000 . 4.000 3.768 2.058 3.941 . 0 0 "[ . 1 . 2]" 1
1186 1 83 VAL H 1 83 VAL MG2 0.000 . 4.000 2.550 2.290 3.794 . 0 0 "[ . 1 . 2]" 1
1187 1 83 VAL HA 1 84 VAL H 0.000 . 3.000 2.213 2.145 2.371 . 0 0 "[ . 1 . 2]" 1
1188 1 83 VAL HB 1 84 VAL H 0.000 . 5.000 3.986 3.735 4.605 . 0 0 "[ . 1 . 2]" 1
1189 1 83 VAL MG1 1 84 VAL H 0.000 . 4.000 2.350 2.078 4.048 0.048 11 0 "[ . 1 . 2]" 1
1190 1 83 VAL MG2 1 84 VAL H 0.000 . 4.000 4.009 3.759 4.037 0.037 7 0 "[ . 1 . 2]" 1
1191 1 83 VAL H 1 84 VAL QG 0.000 . 4.500 4.064 3.716 5.032 0.532 4 1 "[ +. 1 . 2]" 1
1192 1 83 VAL H 1 84 VAL H 0.000 . 5.000 4.451 3.786 4.579 . 0 0 "[ . 1 . 2]" 1
1193 1 84 VAL H 1 84 VAL HB 0.000 . 4.000 2.926 2.655 3.450 . 0 0 "[ . 1 . 2]" 1
1194 1 84 VAL H 1 84 VAL QG 0.000 . 4.000 2.651 2.040 2.838 . 0 0 "[ . 1 . 2]" 1
1195 1 84 VAL HA 1 85 THR H 0.000 . 3.000 2.184 2.138 2.256 . 0 0 "[ . 1 . 2]" 1
1196 1 84 VAL HB 1 85 THR H 0.000 . 4.500 4.036 3.669 4.417 . 0 0 "[ . 1 . 2]" 1
1197 1 84 VAL QG 1 85 THR H 0.000 . 3.000 2.462 2.076 3.248 0.248 12 0 "[ . 1 . 2]" 1
1198 1 84 VAL QG 1 86 LEU HA 0.000 . 4.500 4.100 3.529 4.518 0.018 1 0 "[ . 1 . 2]" 1
1199 1 85 THR H 1 85 THR HB 0.000 . 4.000 3.250 2.555 3.620 . 0 0 "[ . 1 . 2]" 1
1200 1 85 THR HA 1 86 LEU H 0.000 . 3.000 2.182 2.152 2.277 . 0 0 "[ . 1 . 2]" 1
1201 1 85 THR HB 1 86 LEU H 0.000 . 5.000 3.927 3.566 4.439 . 0 0 "[ . 1 . 2]" 1
1202 1 85 THR MG 1 86 LEU H 0.000 . 4.000 3.513 2.725 3.945 . 0 0 "[ . 1 . 2]" 1
1203 1 85 THR H 1 86 LEU H 0.000 . 5.000 4.234 3.944 4.533 . 0 0 "[ . 1 . 2]" 1
1204 1 86 LEU HA 1 86 LEU HG 0.000 . 4.000 2.713 2.194 3.712 . 0 0 "[ . 1 . 2]" 1
1205 1 86 LEU HA 1 86 LEU MD1 0.000 . 4.000 3.162 2.033 3.912 . 0 0 "[ . 1 . 2]" 1
1206 1 86 LEU HA 1 86 LEU MD2 0.000 . 4.000 3.005 2.287 3.786 . 0 0 "[ . 1 . 2]" 1
1207 1 86 LEU H 1 86 LEU QD 0.000 . 4.000 2.870 2.203 3.807 . 0 0 "[ . 1 . 2]" 1
1208 1 86 LEU H 1 86 LEU MD1 0.000 . 5.000 3.239 2.210 4.212 . 0 0 "[ . 1 . 2]" 1
1209 1 86 LEU H 1 86 LEU MD2 0.000 . 5.000 4.015 2.516 4.625 . 0 0 "[ . 1 . 2]" 1
1210 1 86 LEU H 1 86 LEU HG 0.000 . 4.500 3.758 2.699 4.465 . 0 0 "[ . 1 . 2]" 1
1211 1 86 LEU HA 1 87 GLU H 0.000 . 3.000 2.156 2.121 2.223 . 0 0 "[ . 1 . 2]" 1
1212 1 86 LEU HB3 1 87 GLU H 0.000 . 5.000 3.402 3.002 3.705 . 0 0 "[ . 1 . 2]" 1
1213 1 86 LEU HB2 1 87 GLU H 0.000 . 5.000 4.335 3.879 4.546 . 0 0 "[ . 1 . 2]" 1
1214 1 86 LEU QD 1 87 GLU H 0.000 . 4.500 3.711 2.730 4.387 . 0 0 "[ . 1 . 2]" 1
1215 1 86 LEU H 1 87 GLU H 0.000 . 5.000 4.368 4.267 4.510 . 0 0 "[ . 1 . 2]" 1
1216 1 87 GLU HA 1 88 VAL QG 0.000 . 4.000 3.617 3.418 3.850 . 0 0 "[ . 1 . 2]" 1
1217 1 87 GLU HA 1 88 VAL H 0.000 . 3.000 2.195 2.138 2.301 . 0 0 "[ . 1 . 2]" 1
1218 1 87 GLU QB 1 88 VAL H 0.000 . 4.000 3.845 3.444 4.007 0.007 11 0 "[ . 1 . 2]" 1
1219 1 87 GLU H 1 88 VAL H 0.000 . 5.000 4.164 3.944 4.399 . 0 0 "[ . 1 . 2]" 1
1220 1 88 VAL H 1 88 VAL QG 0.000 . 4.000 2.076 1.950 2.282 . 0 0 "[ . 1 . 2]" 1
1221 1 88 VAL HA 1 89 ALA H 0.000 . 3.000 2.344 2.160 2.514 . 0 0 "[ . 1 . 2]" 1
1222 1 88 VAL HB 1 89 ALA H 0.000 . 5.000 3.086 2.133 4.114 . 0 0 "[ . 1 . 2]" 1
1223 1 88 VAL QG 1 89 ALA H 0.000 . 3.000 2.602 2.066 3.063 0.063 14 0 "[ . 1 . 2]" 1
1224 1 88 VAL QG 1 90 LYS H 0.000 . 5.000 4.236 3.827 4.525 . 0 0 "[ . 1 . 2]" 1
1225 1 89 ALA HA 1 90 LYS H 0.000 . 3.000 2.166 2.137 2.218 . 0 0 "[ . 1 . 2]" 1
1226 1 89 ALA MB 1 90 LYS H 0.000 . 4.000 3.120 2.872 3.336 . 0 0 "[ . 1 . 2]" 1
1227 1 89 ALA MB 1 91 GLN H 0.000 . 6.000 4.444 3.479 5.117 . 0 0 "[ . 1 . 2]" 1
1228 1 89 ALA H 1 90 LYS H 0.000 . 5.000 4.348 4.180 4.499 . 0 0 "[ . 1 . 2]" 1
1229 1 90 LYS HA 1 90 LYS HE3 0.000 . 6.000 4.424 3.334 5.115 . 0 0 "[ . 1 . 2]" 1
1230 1 90 LYS HA 1 90 LYS HE2 0.000 . 6.000 4.225 2.034 5.696 . 0 0 "[ . 1 . 2]" 1
1231 1 90 LYS QB 1 90 LYS HE3 0.000 . 5.000 3.501 2.052 4.451 . 0 0 "[ . 1 . 2]" 1
1232 1 90 LYS QB 1 90 LYS HE2 0.000 . 5.000 3.694 2.173 4.535 . 0 0 "[ . 1 . 2]" 1
1233 1 90 LYS H 1 90 LYS HE3 0.000 . 6.000 4.608 3.112 5.606 . 0 0 "[ . 1 . 2]" 1
1234 1 90 LYS H 1 90 LYS HE2 0.000 . 6.000 4.539 2.831 5.801 . 0 0 "[ . 1 . 2]" 1
1235 1 90 LYS H 1 90 LYS QG 0.000 . 4.500 3.018 2.043 4.015 . 0 0 "[ . 1 . 2]" 1
1236 1 90 LYS HA 1 91 GLN H 0.000 . 3.000 2.202 2.126 2.416 . 0 0 "[ . 1 . 2]" 1
1237 1 90 LYS QB 1 91 GLN H 0.000 . 4.500 3.570 3.089 3.913 . 0 0 "[ . 1 . 2]" 1
1238 1 90 LYS QD 1 91 GLN H 0.000 . 5.000 4.408 3.759 5.032 0.032 15 0 "[ . 1 . 2]" 1
1239 1 90 LYS QE 1 91 GLN H 0.000 . 6.000 5.464 3.879 6.035 0.035 16 0 "[ . 1 . 2]" 1
1240 1 91 GLN H 1 91 GLN HB3 0.000 . 4.000 3.238 2.538 3.684 . 0 0 "[ . 1 . 2]" 1
1241 1 91 GLN H 1 91 GLN HB2 0.000 . 4.000 3.599 2.307 4.027 0.027 15 0 "[ . 1 . 2]" 1
1242 1 91 GLN H 1 91 GLN QG 0.000 . 4.000 3.081 2.319 4.020 0.020 5 0 "[ . 1 . 2]" 1
1243 1 91 GLN H 1 91 GLN QE 0.000 . 6.000 3.934 2.359 4.906 . 0 0 "[ . 1 . 2]" 1
1244 1 91 GLN HA 1 92 GLY H 0.000 . 3.000 2.742 2.418 2.881 . 0 0 "[ . 1 . 2]" 1
1245 1 91 GLN HB3 1 92 GLY H 0.000 . 4.000 3.277 2.226 3.671 . 0 0 "[ . 1 . 2]" 1
1246 1 91 GLN HB2 1 92 GLY H 0.000 . 4.000 2.410 1.804 3.845 . 0 0 "[ . 1 . 2]" 1
1247 1 91 GLN QG 1 92 GLY H 0.000 . 4.000 2.637 1.981 3.751 . 0 0 "[ . 1 . 2]" 1
1248 1 91 GLN QB 1 93 ALA H 0.000 . 6.000 5.503 5.191 5.991 . 0 0 "[ . 1 . 2]" 1
1249 1 91 GLN QG 1 93 ALA H 0.000 . 6.000 5.058 4.359 6.033 0.033 19 0 "[ . 1 . 2]" 1
1250 1 91 GLN QE 1 93 ALA H 0.000 . 6.000 5.774 4.214 6.019 0.019 4 0 "[ . 1 . 2]" 1
1251 1 91 GLN H 1 92 GLY H 0.000 . 4.500 4.351 4.264 4.505 0.005 5 0 "[ . 1 . 2]" 1
1252 1 92 GLY H 1 92 GLY HA3 0.000 . 3.000 2.791 2.301 2.953 . 0 0 "[ . 1 . 2]" 1
1253 1 92 GLY H 1 92 GLY HA2 0.000 . 3.000 2.729 2.524 2.875 . 0 0 "[ . 1 . 2]" 1
1254 1 92 GLY HA3 1 93 ALA H 0.000 . 3.000 2.912 2.145 3.067 0.067 16 0 "[ . 1 . 2]" 1
1255 1 92 GLY HA2 1 93 ALA H 0.000 . 3.000 2.292 2.136 3.075 0.075 12 0 "[ . 1 . 2]" 1
1256 1 92 GLY H 1 93 ALA H 0.000 . 4.000 4.035 3.991 4.064 0.064 15 0 "[ . 1 . 2]" 1
1257 1 93 ALA H 1 93 ALA HA 0.000 . 3.000 2.838 2.269 2.948 . 0 0 "[ . 1 . 2]" 1
1258 1 93 ALA H 1 93 ALA MB 0.000 . 3.000 2.516 2.151 2.924 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 42
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 20.122
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0053
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0180
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.004 0.004 7 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.274 0.035 17 0 "[ . 1 . 2]"
1 35 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 VAL 0.536 0.041 10 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ASP 0.536 0.041 10 0 "[ . 1 . 2]"
1 56 GLN 0.110 0.025 6 0 "[ . 1 . 2]"
1 57 LEU 0.274 0.035 17 0 "[ . 1 . 2]"
1 58 LEU 0.038 0.038 15 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.044 0.038 13 0 "[ . 1 . 2]"
1 63 ARG 0.044 0.038 13 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.004 0.004 7 0 "[ . 1 . 2]"
1 87 GLU 0.038 0.038 15 0 "[ . 1 . 2]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.110 0.025 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 ILE H 1 88 VAL O 1.800 . 2.400 1.909 1.670 2.209 . 0 0 "[ . 1 . 2]" 2
2 1 7 ILE N 1 88 VAL O 2.700 2.400 3.300 2.847 2.622 3.095 . 0 0 "[ . 1 . 2]" 2
3 1 9 VAL H 1 86 LEU O 1.800 . 2.400 2.132 1.638 2.378 . 0 0 "[ . 1 . 2]" 2
4 1 9 VAL N 1 86 LEU O 2.700 2.400 3.300 3.050 2.611 3.290 . 0 0 "[ . 1 . 2]" 2
5 1 22 VAL H 1 35 TYR O 1.800 . 2.400 2.032 1.792 2.334 . 0 0 "[ . 1 . 2]" 2
6 1 22 VAL N 1 35 TYR O 2.700 2.400 3.300 2.803 2.651 3.092 . 0 0 "[ . 1 . 2]" 2
7 1 34 ILE H 1 57 LEU O 1.800 . 2.400 2.396 2.246 2.435 0.035 17 0 "[ . 1 . 2]" 2
8 1 34 ILE N 1 57 LEU O 2.700 2.400 3.300 3.234 3.159 3.317 0.017 8 0 "[ . 1 . 2]" 2
9 1 22 VAL O 1 35 TYR H 1.800 . 2.400 1.883 1.712 2.282 . 0 0 "[ . 1 . 2]" 2
10 1 22 VAL O 1 35 TYR N 2.700 2.400 3.300 2.759 2.630 3.163 . 0 0 "[ . 1 . 2]" 2
11 1 36 VAL H 1 55 ASP O 1.800 . 2.400 1.769 1.634 1.851 . 0 0 "[ . 1 . 2]" 2
12 1 36 VAL N 1 55 ASP O 2.700 2.400 3.300 2.704 2.598 2.773 . 0 0 "[ . 1 . 2]" 2
13 1 20 SER O 1 37 LYS H 1.800 . 2.400 2.053 1.786 2.262 . 0 0 "[ . 1 . 2]" 2
14 1 20 SER O 1 37 LYS N 2.700 2.400 3.300 2.904 2.676 3.225 . 0 0 "[ . 1 . 2]" 2
15 1 36 VAL O 1 55 ASP H 1.800 . 2.400 2.417 2.386 2.441 0.041 10 0 "[ . 1 . 2]" 2
16 1 36 VAL O 1 55 ASP N 2.700 2.400 3.300 3.286 3.152 3.336 0.036 4 0 "[ . 1 . 2]" 2
17 1 56 GLN H 1 89 ALA O 1.800 . 2.400 2.339 2.152 2.404 0.004 19 0 "[ . 1 . 2]" 2
18 1 56 GLN N 1 89 ALA O 2.700 2.400 3.300 3.251 3.063 3.325 0.025 6 0 "[ . 1 . 2]" 2
19 1 34 ILE O 1 57 LEU H 1.800 . 2.400 1.973 1.683 2.405 0.005 20 0 "[ . 1 . 2]" 2
20 1 34 ILE O 1 57 LEU N 2.700 2.400 3.300 2.644 2.557 2.826 . 0 0 "[ . 1 . 2]" 2
21 1 58 LEU H 1 87 GLU O 1.800 . 2.400 2.096 1.849 2.377 . 0 0 "[ . 1 . 2]" 2
22 1 58 LEU N 1 87 GLU O 2.700 2.400 3.300 3.044 2.782 3.338 0.038 15 0 "[ . 1 . 2]" 2
23 1 60 VAL H 1 63 ARG O 1.800 . 2.400 1.960 1.714 2.249 . 0 0 "[ . 1 . 2]" 2
24 1 60 VAL N 1 63 ARG O 2.700 2.400 3.300 2.869 2.651 3.180 . 0 0 "[ . 1 . 2]" 2
25 1 60 VAL O 1 63 ARG H 1.800 . 2.400 2.176 1.942 2.406 0.006 9 0 "[ . 1 . 2]" 2
26 1 60 VAL O 1 63 ARG N 2.700 2.400 3.300 2.989 2.655 3.338 0.038 13 0 "[ . 1 . 2]" 2
27 1 69 SER O 1 73 ALA H 1.800 . 2.400 2.163 1.968 2.344 . 0 0 "[ . 1 . 2]" 2
28 1 69 SER O 1 73 ALA N 2.700 2.400 3.300 3.126 2.931 3.299 . 0 0 "[ . 1 . 2]" 2
29 1 70 GLN O 1 74 ALA H 1.800 . 2.400 1.905 1.708 2.108 . 0 0 "[ . 1 . 2]" 2
30 1 70 GLN O 1 74 ALA N 2.700 2.400 3.300 2.852 2.677 3.064 . 0 0 "[ . 1 . 2]" 2
31 1 71 GLU O 1 75 GLU H 1.800 . 2.400 1.947 1.742 2.307 . 0 0 "[ . 1 . 2]" 2
32 1 71 GLU O 1 75 GLU N 2.700 2.400 3.300 2.851 2.670 3.196 . 0 0 "[ . 1 . 2]" 2
33 1 72 ARG O 1 76 LEU H 1.800 . 2.400 2.062 1.792 2.397 . 0 0 "[ . 1 . 2]" 2
34 1 72 ARG O 1 76 LEU N 2.700 2.400 3.300 2.888 2.645 3.159 . 0 0 "[ . 1 . 2]" 2
35 1 9 VAL O 1 86 LEU H 1.800 . 2.400 2.180 1.722 2.388 . 0 0 "[ . 1 . 2]" 2
36 1 9 VAL O 1 86 LEU N 2.700 2.400 3.300 3.063 2.618 3.304 0.004 7 0 "[ . 1 . 2]" 2
37 1 59 SER O 1 87 GLU H 1.800 . 2.400 2.004 1.740 2.339 . 0 0 "[ . 1 . 2]" 2
38 1 59 SER O 1 87 GLU N 2.700 2.400 3.300 2.958 2.711 3.300 . 0 0 "[ . 1 . 2]" 2
39 1 7 ILE O 1 88 VAL H 1.800 . 2.400 2.055 1.636 2.305 . 0 0 "[ . 1 . 2]" 2
40 1 7 ILE O 1 88 VAL N 2.700 2.400 3.300 2.767 2.570 2.959 . 0 0 "[ . 1 . 2]" 2
41 1 56 GLN O 1 89 ALA H 1.800 . 2.400 2.001 1.657 2.334 . 0 0 "[ . 1 . 2]" 2
42 1 56 GLN O 1 89 ALA N 2.700 2.400 3.300 2.810 2.568 3.181 . 0 0 "[ . 1 . 2]" 2
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