NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
493444 |
2kic   |
16269 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kic
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 967
_Distance_constraint_stats_list.Viol_count 596
_Distance_constraint_stats_list.Viol_total 888.125
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0745
_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 10 SER 0.091 0.045 19 0 "[ . 1 . 2]"
1 11 ARG 1.134 0.107 18 0 "[ . 1 . 2]"
1 12 GLU 0.715 0.107 18 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.060 0.045 19 0 "[ . 1 . 2]"
1 15 LEU 1.564 0.236 12 0 "[ . 1 . 2]"
1 16 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 0.164 0.075 12 0 "[ . 1 . 2]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.010 0.006 18 0 "[ . 1 . 2]"
1 25 PRO 0.234 0.066 3 0 "[ . 1 . 2]"
1 26 GLY 0.116 0.062 3 0 "[ . 1 . 2]"
1 27 THR 0.202 0.066 3 0 "[ . 1 . 2]"
1 28 THR 0.022 0.022 10 0 "[ . 1 . 2]"
1 29 VAL 0.141 0.033 18 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.022 0.022 10 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 THR 0.471 0.074 8 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.445 0.084 16 0 "[ . 1 . 2]"
1 48 SER 0.486 0.084 16 0 "[ . 1 . 2]"
1 49 LEU 0.774 0.094 6 0 "[ . 1 . 2]"
1 50 GLN 1.500 0.094 6 0 "[ . 1 . 2]"
1 51 GLY 0.574 0.080 8 0 "[ . 1 . 2]"
1 52 VAL 2.251 0.114 17 0 "[ . 1 . 2]"
1 53 SER 3.503 0.119 8 0 "[ . 1 . 2]"
1 54 VAL 0.589 0.066 12 0 "[ . 1 . 2]"
1 55 THR 1.051 0.102 13 0 "[ . 1 . 2]"
1 56 ASP 0.428 0.046 4 0 "[ . 1 . 2]"
1 57 LEU 10.786 0.251 7 0 "[ . 1 . 2]"
1 58 LYS 1.440 0.147 20 0 "[ . 1 . 2]"
1 59 ILE 0.147 0.147 20 0 "[ . 1 . 2]"
1 60 GLY 0.263 0.046 4 0 "[ . 1 . 2]"
1 61 LEU 1.804 0.134 1 0 "[ . 1 . 2]"
1 62 ALA 0.232 0.044 9 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 SER 0.417 0.057 11 0 "[ . 1 . 2]"
1 65 GLU 0.106 0.077 15 0 "[ . 1 . 2]"
1 66 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASP 0.417 0.057 11 0 "[ . 1 . 2]"
1 68 VAL 0.639 0.076 15 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LEU 0.199 0.048 5 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 THR 0.199 0.048 5 0 "[ . 1 . 2]"
1 74 PRO 0.238 0.055 4 0 "[ . 1 . 2]"
1 75 MET 0.843 0.170 5 0 "[ . 1 . 2]"
1 76 SER 0.611 0.170 5 0 "[ . 1 . 2]"
1 77 ALA 0.092 0.029 19 0 "[ . 1 . 2]"
1 78 LEU 6.459 0.215 4 0 "[ . 1 . 2]"
1 79 LYS 0.177 0.052 9 0 "[ . 1 . 2]"
1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 VAL 6.168 0.236 17 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 0.004 0.004 17 0 "[ . 1 . 2]"
1 85 LEU 11.300 0.236 17 0 "[ . 1 . 2]"
1 86 TRP 2.855 0.145 4 0 "[ . 1 . 2]"
1 87 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 GLU 0.017 0.017 19 0 "[ . 1 . 2]"
1 89 ALA 1.064 0.089 16 0 "[ . 1 . 2]"
1 90 GLU 0.023 0.010 17 0 "[ . 1 . 2]"
1 91 VAL 0.325 0.071 2 0 "[ . 1 . 2]"
1 92 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 SER 0.054 0.032 9 0 "[ . 1 . 2]"
1 94 LEU 0.933 0.078 14 0 "[ . 1 . 2]"
1 95 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLN 0.394 0.070 15 0 "[ . 1 . 2]"
1 97 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 VAL 0.000 0.000 . 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 10 SER H 1 10 SER QB 3.500 . 3.800 2.406 2.222 2.615 . 0 0 "[ . 1 . 2]" 1
2 1 10 SER H 1 11 ARG H 5.500 . 5.800 4.425 4.063 4.611 . 0 0 "[ . 1 . 2]" 1
3 1 10 SER H 1 13 THR H 5.500 . 5.800 4.733 3.927 5.592 . 0 0 "[ . 1 . 2]" 1
4 1 10 SER H 1 13 THR HB 5.500 . 5.800 4.024 3.312 4.688 . 0 0 "[ . 1 . 2]" 1
5 1 10 SER H 1 13 THR MG 5.500 . 5.800 4.657 4.156 4.843 . 0 0 "[ . 1 . 2]" 1
6 1 10 SER H 1 14 ALA H 5.500 . 5.800 5.264 3.785 5.845 0.045 19 0 "[ . 1 . 2]" 1
7 1 10 SER HA 1 11 ARG H 3.500 . 3.800 2.567 2.146 3.021 . 0 0 "[ . 1 . 2]" 1
8 1 10 SER HA 1 13 THR H 5.500 . 5.800 4.960 4.546 5.569 . 0 0 "[ . 1 . 2]" 1
9 1 10 SER QB 1 11 ARG H 4.500 . 4.800 2.687 1.758 3.677 0.042 2 0 "[ . 1 . 2]" 1
10 1 10 SER QB 1 12 GLU H 4.500 . 4.800 3.250 2.626 4.084 . 0 0 "[ . 1 . 2]" 1
11 1 10 SER QB 1 13 THR H 5.500 . 5.800 3.041 2.490 3.886 . 0 0 "[ . 1 . 2]" 1
12 1 11 ARG H 1 11 ARG QB 3.500 . 3.800 2.737 2.417 3.221 . 0 0 "[ . 1 . 2]" 1
13 1 11 ARG H 1 11 ARG QD 5.500 . 5.800 3.885 3.237 4.942 . 0 0 "[ . 1 . 2]" 1
14 1 11 ARG H 1 11 ARG QG 4.500 . 4.800 2.259 1.712 4.206 0.088 15 0 "[ . 1 . 2]" 1
15 1 11 ARG H 1 12 GLU H 3.500 . 3.800 2.422 1.721 2.990 0.079 8 0 "[ . 1 . 2]" 1
16 1 11 ARG H 1 12 GLU QB 5.500 . 5.800 4.375 3.542 4.992 . 0 0 "[ . 1 . 2]" 1
17 1 11 ARG H 1 13 THR H 5.500 . 5.800 3.698 2.722 4.258 . 0 0 "[ . 1 . 2]" 1
18 1 11 ARG H 1 14 ALA MB 5.500 . 5.800 4.534 3.575 4.789 . 0 0 "[ . 1 . 2]" 1
19 1 11 ARG H 1 15 LEU QD 5.500 . 5.800 4.310 4.119 4.412 . 0 0 "[ . 1 . 2]" 1
20 1 11 ARG HA 1 14 ALA MB 3.500 . 3.800 2.572 2.265 3.129 . 0 0 "[ . 1 . 2]" 1
21 1 11 ARG QB 1 12 GLU H 4.500 . 4.800 3.166 2.717 3.600 . 0 0 "[ . 1 . 2]" 1
22 1 11 ARG QD 1 12 GLU H 5.500 . 5.800 4.044 3.462 5.114 . 0 0 "[ . 1 . 2]" 1
23 1 11 ARG QG 1 12 GLU H 4.500 . 4.800 2.183 1.693 4.107 0.107 18 0 "[ . 1 . 2]" 1
24 1 11 ARG QG 1 12 GLU HA 4.500 . 4.800 3.536 2.978 4.130 . 0 0 "[ . 1 . 2]" 1
25 1 12 GLU H 1 12 GLU QB 3.500 . 3.800 2.374 2.184 2.908 . 0 0 "[ . 1 . 2]" 1
26 1 12 GLU H 1 12 GLU QG 4.500 . 4.800 3.029 1.902 4.057 . 0 0 "[ . 1 . 2]" 1
27 1 12 GLU H 1 13 THR H 3.500 . 3.800 2.717 2.080 3.023 . 0 0 "[ . 1 . 2]" 1
28 1 12 GLU H 1 13 THR HB 5.500 . 5.800 4.970 4.095 5.440 . 0 0 "[ . 1 . 2]" 1
29 1 12 GLU H 1 14 ALA H 5.500 . 5.800 4.144 3.819 4.558 . 0 0 "[ . 1 . 2]" 1
30 1 12 GLU H 1 15 LEU QD 5.500 . 5.800 3.426 3.097 3.856 . 0 0 "[ . 1 . 2]" 1
31 1 12 GLU HA 1 15 LEU HB2 4.500 . 4.800 3.280 2.318 4.301 . 0 0 "[ . 1 . 2]" 1
32 1 12 GLU HA 1 15 LEU QD 4.500 . 4.800 2.353 2.041 2.689 . 0 0 "[ . 1 . 2]" 1
33 1 12 GLU HA 1 16 ARG H 5.500 . 5.800 4.270 3.197 5.284 . 0 0 "[ . 1 . 2]" 1
34 1 12 GLU QB 1 13 THR H 3.500 . 3.800 3.222 2.726 3.572 . 0 0 "[ . 1 . 2]" 1
35 1 12 GLU QB 1 15 LEU QD 5.500 . 5.800 3.612 3.323 3.837 . 0 0 "[ . 1 . 2]" 1
36 1 12 GLU HB2 1 13 THR H 4.500 . 4.800 3.978 3.695 4.188 . 0 0 "[ . 1 . 2]" 1
37 1 12 GLU HB3 1 13 THR H 4.500 . 4.800 3.522 2.772 4.205 . 0 0 "[ . 1 . 2]" 1
38 1 12 GLU QG 1 13 THR H 4.500 . 4.800 2.891 2.028 4.153 . 0 0 "[ . 1 . 2]" 1
39 1 13 THR H 1 13 THR MG 4.500 . 4.800 3.737 3.696 3.766 . 0 0 "[ . 1 . 2]" 1
40 1 13 THR H 1 14 ALA H 3.500 . 3.800 2.377 2.259 2.577 . 0 0 "[ . 1 . 2]" 1
41 1 13 THR H 1 14 ALA MB 4.500 . 4.800 3.958 3.883 4.061 . 0 0 "[ . 1 . 2]" 1
42 1 13 THR HB 1 14 ALA H 4.500 . 4.800 2.626 2.129 3.111 . 0 0 "[ . 1 . 2]" 1
43 1 13 THR HB 1 14 ALA MB 4.500 . 4.800 3.812 3.557 3.947 . 0 0 "[ . 1 . 2]" 1
44 1 13 THR MG 1 14 ALA H 4.500 . 4.800 3.446 2.654 3.982 . 0 0 "[ . 1 . 2]" 1
45 1 13 THR MG 1 14 ALA HA 5.500 . 5.800 3.612 3.049 4.249 . 0 0 "[ . 1 . 2]" 1
46 1 13 THR MG 1 45 THR HA 4.500 . 4.800 3.736 3.017 3.953 . 0 0 "[ . 1 . 2]" 1
47 1 13 THR MG 1 46 GLU H 5.500 . 5.800 3.157 2.230 4.247 . 0 0 "[ . 1 . 2]" 1
48 1 13 THR MG 1 46 GLU HA 4.500 . 4.800 3.739 3.146 4.124 . 0 0 "[ . 1 . 2]" 1
49 1 14 ALA HA 1 15 LEU QD 6.000 . 6.300 4.154 3.818 4.351 . 0 0 "[ . 1 . 2]" 1
50 1 14 ALA HA 1 17 ILE HB 4.500 . 4.800 3.509 2.997 3.959 . 0 0 "[ . 1 . 2]" 1
51 1 14 ALA HA 1 17 ILE MG 5.500 . 5.800 4.584 4.020 4.858 . 0 0 "[ . 1 . 2]" 1
52 1 14 ALA HA 1 18 ALA H 5.500 . 5.800 5.294 4.903 5.738 . 0 0 "[ . 1 . 2]" 1
53 1 14 ALA MB 1 15 LEU H 3.500 . 3.800 2.409 1.786 3.387 0.014 14 0 "[ . 1 . 2]" 1
54 1 14 ALA MB 1 16 ARG H 5.500 . 5.800 4.514 4.003 4.937 . 0 0 "[ . 1 . 2]" 1
55 1 15 LEU H 1 15 LEU HB2 3.500 . 3.800 2.754 2.277 3.433 . 0 0 "[ . 1 . 2]" 1
56 1 15 LEU H 1 15 LEU QD 3.500 . 3.800 2.013 1.564 2.759 0.236 12 0 "[ . 1 . 2]" 1
57 1 15 LEU H 1 16 ARG H 3.500 . 3.800 2.669 1.895 3.198 . 0 0 "[ . 1 . 2]" 1
58 1 15 LEU HA 1 15 LEU QD 3.500 . 3.800 2.340 2.127 2.659 . 0 0 "[ . 1 . 2]" 1
59 1 15 LEU HA 1 18 ALA H 4.500 . 4.800 3.826 3.333 4.388 . 0 0 "[ . 1 . 2]" 1
60 1 15 LEU HA 1 18 ALA MB 4.500 . 4.800 3.222 2.498 3.855 . 0 0 "[ . 1 . 2]" 1
61 1 15 LEU HB2 1 16 ARG H 3.500 . 3.800 2.775 2.428 3.363 . 0 0 "[ . 1 . 2]" 1
62 1 15 LEU QD 1 16 ARG H 5.500 . 5.800 3.676 3.357 3.902 . 0 0 "[ . 1 . 2]" 1
63 1 15 LEU MD1 1 16 ARG H 5.500 . 5.800 3.989 3.635 4.465 . 0 0 "[ . 1 . 2]" 1
64 1 15 LEU MD2 1 16 ARG H 5.500 . 5.800 4.333 3.944 4.662 . 0 0 "[ . 1 . 2]" 1
65 1 16 ARG H 1 16 ARG QB 3.500 . 3.800 2.361 2.159 2.699 . 0 0 "[ . 1 . 2]" 1
66 1 16 ARG H 1 17 ILE H 4.500 . 4.800 2.697 2.414 2.986 . 0 0 "[ . 1 . 2]" 1
67 1 16 ARG H 1 17 ILE MD 5.500 . 5.800 4.273 3.294 4.756 . 0 0 "[ . 1 . 2]" 1
68 1 16 ARG HA 1 18 ALA H 5.500 . 5.800 3.668 3.357 3.984 . 0 0 "[ . 1 . 2]" 1
69 1 16 ARG HA 1 19 LEU H 4.500 . 4.800 3.185 2.724 3.350 . 0 0 "[ . 1 . 2]" 1
70 1 16 ARG HA 1 19 LEU HB2 5.500 . 5.800 2.692 2.425 3.176 . 0 0 "[ . 1 . 2]" 1
71 1 16 ARG HA 1 19 LEU MD1 5.500 . 5.800 4.847 4.537 4.952 . 0 0 "[ . 1 . 2]" 1
72 1 16 ARG HA 1 19 LEU MD2 4.500 . 4.800 2.873 2.287 3.467 . 0 0 "[ . 1 . 2]" 1
73 1 16 ARG HA 1 20 ALA H 5.500 . 5.800 4.773 4.457 5.127 . 0 0 "[ . 1 . 2]" 1
74 1 16 ARG QB 1 17 ILE H 4.500 . 4.800 2.764 2.354 3.592 . 0 0 "[ . 1 . 2]" 1
75 1 16 ARG QB 1 17 ILE HA 5.500 . 5.800 3.964 3.838 4.327 . 0 0 "[ . 1 . 2]" 1
76 1 16 ARG QB 1 18 ALA H 5.500 . 5.800 4.432 4.180 4.816 . 0 0 "[ . 1 . 2]" 1
77 1 16 ARG QB 1 84 ILE MG 5.500 . 5.800 2.814 2.239 3.891 . 0 0 "[ . 1 . 2]" 1
78 1 16 ARG QB 1 85 LEU HA 5.500 . 5.800 4.597 3.981 5.195 . 0 0 "[ . 1 . 2]" 1
79 1 17 ILE H 1 17 ILE MD 3.500 . 3.800 2.607 1.725 3.230 0.075 12 0 "[ . 1 . 2]" 1
80 1 17 ILE H 1 17 ILE QG 3.500 . 3.800 2.352 1.789 3.470 0.011 18 0 "[ . 1 . 2]" 1
81 1 17 ILE H 1 18 ALA H 3.500 . 3.800 2.660 2.615 2.695 . 0 0 "[ . 1 . 2]" 1
82 1 17 ILE H 1 18 ALA MB 5.000 . 5.300 4.317 4.229 4.360 . 0 0 "[ . 1 . 2]" 1
83 1 17 ILE H 1 19 LEU H 5.500 . 5.800 4.142 4.048 4.236 . 0 0 "[ . 1 . 2]" 1
84 1 17 ILE H 1 85 LEU MD1 5.500 . 5.800 4.643 4.476 4.713 . 0 0 "[ . 1 . 2]" 1
85 1 17 ILE HA 1 19 LEU HB2 5.500 . 5.800 5.153 4.824 5.381 . 0 0 "[ . 1 . 2]" 1
86 1 17 ILE HA 1 20 ALA H 4.500 . 4.800 3.831 3.566 4.009 . 0 0 "[ . 1 . 2]" 1
87 1 17 ILE HA 1 20 ALA MB 4.500 . 4.800 3.323 3.140 3.466 . 0 0 "[ . 1 . 2]" 1
88 1 17 ILE HB 1 18 ALA H 3.500 . 3.800 3.241 2.985 3.528 . 0 0 "[ . 1 . 2]" 1
89 1 17 ILE MG 1 18 ALA H 4.500 . 4.800 3.855 3.587 4.016 . 0 0 "[ . 1 . 2]" 1
90 1 17 ILE MG 1 29 VAL MG1 4.500 . 4.800 2.805 2.631 3.031 . 0 0 "[ . 1 . 2]" 1
91 1 18 ALA H 1 19 LEU H 3.500 . 3.800 2.217 2.129 2.321 . 0 0 "[ . 1 . 2]" 1
92 1 18 ALA H 1 20 ALA H 5.500 . 5.800 3.882 3.803 3.957 . 0 0 "[ . 1 . 2]" 1
93 1 18 ALA H 1 20 ALA MB 5.500 . 5.800 4.725 4.688 4.750 . 0 0 "[ . 1 . 2]" 1
94 1 18 ALA H 1 29 VAL MG1 4.500 . 4.800 3.902 3.765 3.995 . 0 0 "[ . 1 . 2]" 1
95 1 18 ALA H 1 29 VAL MG2 5.500 . 5.800 4.725 4.689 4.747 . 0 0 "[ . 1 . 2]" 1
96 1 18 ALA HA 1 19 LEU MD2 5.500 . 5.800 4.548 4.278 4.691 . 0 0 "[ . 1 . 2]" 1
97 1 18 ALA HA 1 21 ALA H 4.500 . 4.800 3.257 3.035 3.325 . 0 0 "[ . 1 . 2]" 1
98 1 18 ALA HA 1 21 ALA MB 4.500 . 4.800 3.261 2.715 3.392 . 0 0 "[ . 1 . 2]" 1
99 1 18 ALA HA 1 29 VAL HB 5.500 . 5.800 4.321 4.291 4.380 . 0 0 "[ . 1 . 2]" 1
100 1 18 ALA HA 1 29 VAL MG1 4.000 . 4.300 2.006 1.991 2.026 . 0 0 "[ . 1 . 2]" 1
101 1 18 ALA HA 1 29 VAL MG2 4.500 . 4.800 2.246 2.226 2.262 . 0 0 "[ . 1 . 2]" 1
102 1 18 ALA MB 1 19 LEU H 3.500 . 3.800 3.025 2.884 3.078 . 0 0 "[ . 1 . 2]" 1
103 1 18 ALA MB 1 29 VAL MG1 3.500 . 3.800 2.292 2.222 2.358 . 0 0 "[ . 1 . 2]" 1
104 1 18 ALA MB 1 29 VAL MG2 4.500 . 4.800 2.350 2.194 2.555 . 0 0 "[ . 1 . 2]" 1
105 1 19 LEU H 1 19 LEU HB2 3.500 . 3.800 2.174 2.129 2.255 . 0 0 "[ . 1 . 2]" 1
106 1 19 LEU H 1 19 LEU MD2 3.500 . 3.800 2.263 1.990 2.469 . 0 0 "[ . 1 . 2]" 1
107 1 19 LEU H 1 29 VAL MG1 5.500 . 5.800 4.788 4.766 4.811 . 0 0 "[ . 1 . 2]" 1
108 1 19 LEU H 1 84 ILE MD 5.500 . 5.800 4.495 4.205 4.625 . 0 0 "[ . 1 . 2]" 1
109 1 19 LEU HA 1 19 LEU MD1 3.500 . 3.800 2.194 2.153 2.253 . 0 0 "[ . 1 . 2]" 1
110 1 19 LEU HA 1 19 LEU MD2 4.500 . 4.800 2.212 2.132 2.270 . 0 0 "[ . 1 . 2]" 1
111 1 19 LEU HB2 1 20 ALA H 4.500 . 4.800 3.031 2.866 3.147 . 0 0 "[ . 1 . 2]" 1
112 1 19 LEU HB3 1 84 ILE MD 4.500 . 4.800 2.898 2.743 3.140 . 0 0 "[ . 1 . 2]" 1
113 1 19 LEU QD 1 22 ARG H 5.500 . 5.800 4.285 4.213 4.350 . 0 0 "[ . 1 . 2]" 1
114 1 19 LEU MD1 1 22 ARG HD2 5.500 . 5.800 3.241 2.096 4.196 . 0 0 "[ . 1 . 2]" 1
115 1 19 LEU MD1 1 22 ARG QD 4.500 . 4.800 2.904 2.076 3.403 . 0 0 "[ . 1 . 2]" 1
116 1 20 ALA H 1 21 ALA H 3.500 . 3.800 2.747 2.681 2.806 . 0 0 "[ . 1 . 2]" 1
117 1 20 ALA H 1 22 ARG H 5.500 . 5.800 4.231 4.134 4.344 . 0 0 "[ . 1 . 2]" 1
118 1 20 ALA H 1 84 ILE MD 4.500 . 4.800 3.061 2.830 3.192 . 0 0 "[ . 1 . 2]" 1
119 1 20 ALA H 1 84 ILE MG 4.500 . 4.800 2.567 2.448 2.697 . 0 0 "[ . 1 . 2]" 1
120 1 20 ALA H 1 85 LEU MD1 5.500 . 5.800 3.664 3.614 3.749 . 0 0 "[ . 1 . 2]" 1
121 1 20 ALA HA 1 23 ALA MB 4.500 . 4.800 2.626 2.510 2.846 . 0 0 "[ . 1 . 2]" 1
122 1 20 ALA HA 1 84 ILE H 5.500 . 5.800 5.416 5.308 5.488 . 0 0 "[ . 1 . 2]" 1
123 1 20 ALA HA 1 84 ILE HB 4.500 . 4.800 3.481 3.390 3.531 . 0 0 "[ . 1 . 2]" 1
124 1 20 ALA HA 1 84 ILE MD 4.500 . 4.800 2.051 2.040 2.063 . 0 0 "[ . 1 . 2]" 1
125 1 20 ALA HA 1 84 ILE MG 4.500 . 4.800 3.190 3.066 3.306 . 0 0 "[ . 1 . 2]" 1
126 1 20 ALA MB 1 84 ILE HB 3.500 . 3.800 2.456 2.319 2.639 . 0 0 "[ . 1 . 2]" 1
127 1 20 ALA MB 1 84 ILE MG 3.500 . 3.800 2.160 2.121 2.224 . 0 0 "[ . 1 . 2]" 1
128 1 21 ALA H 1 22 ARG H 3.500 . 3.800 2.888 2.832 2.970 . 0 0 "[ . 1 . 2]" 1
129 1 21 ALA H 1 23 ALA H 4.500 . 4.800 4.300 4.229 4.365 . 0 0 "[ . 1 . 2]" 1
130 1 21 ALA H 1 29 VAL MG1 4.500 . 4.800 3.796 3.733 3.844 . 0 0 "[ . 1 . 2]" 1
131 1 21 ALA H 1 29 VAL MG2 4.500 . 4.800 3.309 3.175 3.721 . 0 0 "[ . 1 . 2]" 1
132 1 21 ALA H 1 84 ILE MD 5.500 . 5.800 4.751 4.674 4.786 . 0 0 "[ . 1 . 2]" 1
133 1 21 ALA HA 1 23 ALA H 4.500 . 4.800 4.389 4.278 4.500 . 0 0 "[ . 1 . 2]" 1
134 1 21 ALA HA 1 24 LEU H 4.500 . 4.800 3.824 3.588 3.936 . 0 0 "[ . 1 . 2]" 1
135 1 21 ALA HA 1 24 LEU HB2 4.500 . 4.800 3.316 3.044 3.554 . 0 0 "[ . 1 . 2]" 1
136 1 21 ALA HA 1 24 LEU MD1 3.500 . 3.800 2.315 2.230 2.426 . 0 0 "[ . 1 . 2]" 1
137 1 21 ALA HA 1 24 LEU HG 4.500 . 4.800 3.128 2.997 3.404 . 0 0 "[ . 1 . 2]" 1
138 1 21 ALA HA 1 27 THR MG 5.500 . 5.800 4.472 4.292 4.711 . 0 0 "[ . 1 . 2]" 1
139 1 21 ALA HA 1 29 VAL MG2 4.500 . 4.800 3.931 3.912 3.956 . 0 0 "[ . 1 . 2]" 1
140 1 21 ALA MB 1 22 ARG H 4.500 . 4.800 2.716 2.535 2.775 . 0 0 "[ . 1 . 2]" 1
141 1 21 ALA MB 1 28 THR HA 4.500 . 4.800 3.078 2.714 3.253 . 0 0 "[ . 1 . 2]" 1
142 1 21 ALA MB 1 29 VAL HA 3.500 . 3.800 2.281 2.261 2.317 . 0 0 "[ . 1 . 2]" 1
143 1 21 ALA MB 1 29 VAL HB 4.500 . 4.800 3.879 3.822 3.916 . 0 0 "[ . 1 . 2]" 1
144 1 21 ALA MB 1 29 VAL MG1 4.500 . 4.800 3.153 2.890 3.214 . 0 0 "[ . 1 . 2]" 1
145 1 21 ALA MB 1 29 VAL MG2 3.500 . 3.800 1.844 1.838 1.850 . 0 0 "[ . 1 . 2]" 1
146 1 22 ARG H 1 22 ARG QG 4.500 . 4.800 3.302 1.984 3.964 . 0 0 "[ . 1 . 2]" 1
147 1 22 ARG H 1 23 ALA MB 5.500 . 5.800 4.244 4.216 4.269 . 0 0 "[ . 1 . 2]" 1
148 1 22 ARG HA 1 22 ARG HD2 5.500 . 5.800 4.444 4.106 4.802 . 0 0 "[ . 1 . 2]" 1
149 1 22 ARG HA 1 22 ARG HD3 5.500 . 5.800 4.550 4.106 4.727 . 0 0 "[ . 1 . 2]" 1
150 1 22 ARG HA 1 24 LEU H 5.500 . 5.800 3.360 3.300 3.507 . 0 0 "[ . 1 . 2]" 1
151 1 22 ARG QB 1 23 ALA H 4.500 . 4.800 2.539 2.478 2.643 . 0 0 "[ . 1 . 2]" 1
152 1 22 ARG QB 1 23 ALA HA 5.500 . 5.800 3.975 3.878 4.157 . 0 0 "[ . 1 . 2]" 1
153 1 22 ARG QB 1 23 ALA MB 5.500 . 5.800 3.888 3.749 3.974 . 0 0 "[ . 1 . 2]" 1
154 1 22 ARG HB2 1 23 ALA H 5.500 . 5.800 3.368 2.560 3.926 . 0 0 "[ . 1 . 2]" 1
155 1 22 ARG HB3 1 23 ALA H 5.500 . 5.800 2.967 2.522 3.798 . 0 0 "[ . 1 . 2]" 1
156 1 22 ARG QD 1 23 ALA H 5.500 . 5.800 4.687 4.379 4.966 . 0 0 "[ . 1 . 2]" 1
157 1 23 ALA H 1 24 LEU HA 5.500 . 5.800 5.308 5.286 5.355 . 0 0 "[ . 1 . 2]" 1
158 1 23 ALA H 1 24 LEU MD1 5.500 . 5.800 4.803 4.735 4.825 . 0 0 "[ . 1 . 2]" 1
159 1 23 ALA H 1 24 LEU HG 4.500 . 4.800 3.615 3.560 3.756 . 0 0 "[ . 1 . 2]" 1
160 1 23 ALA H 1 80 ASP QB 5.500 . 5.800 5.102 5.014 5.214 . 0 0 "[ . 1 . 2]" 1
161 1 23 ALA H 1 84 ILE MD 4.500 . 4.800 3.840 3.666 4.029 . 0 0 "[ . 1 . 2]" 1
162 1 23 ALA HA 1 24 LEU H 4.500 . 4.800 3.335 3.314 3.364 . 0 0 "[ . 1 . 2]" 1
163 1 23 ALA HA 1 77 ALA MB 5.500 . 5.800 4.490 4.330 4.629 . 0 0 "[ . 1 . 2]" 1
164 1 23 ALA MB 1 24 LEU H 3.500 . 3.800 3.138 3.113 3.166 . 0 0 "[ . 1 . 2]" 1
165 1 23 ALA MB 1 24 LEU HB2 5.500 . 5.800 4.752 4.691 4.790 . 0 0 "[ . 1 . 2]" 1
166 1 23 ALA MB 1 24 LEU MD1 5.500 . 5.800 3.855 3.818 3.901 . 0 0 "[ . 1 . 2]" 1
167 1 23 ALA MB 1 24 LEU MD2 4.500 . 4.800 2.649 2.507 2.951 . 0 0 "[ . 1 . 2]" 1
168 1 23 ALA MB 1 24 LEU HG 4.500 . 4.800 2.738 2.683 2.816 . 0 0 "[ . 1 . 2]" 1
169 1 23 ALA MB 1 77 ALA HA 4.500 . 4.800 3.494 3.311 3.640 . 0 0 "[ . 1 . 2]" 1
170 1 23 ALA MB 1 80 ASP H 5.000 . 5.300 4.315 4.259 4.356 . 0 0 "[ . 1 . 2]" 1
171 1 23 ALA MB 1 80 ASP HB2 4.500 . 4.800 2.495 2.390 2.655 . 0 0 "[ . 1 . 2]" 1
172 1 23 ALA MB 1 80 ASP QB 3.500 . 3.800 2.087 2.040 2.133 . 0 0 "[ . 1 . 2]" 1
173 1 23 ALA MB 1 80 ASP HB3 4.500 . 4.800 2.241 2.171 2.308 . 0 0 "[ . 1 . 2]" 1
174 1 23 ALA MB 1 81 ALA H 3.500 . 3.800 2.835 2.662 3.111 . 0 0 "[ . 1 . 2]" 1
175 1 23 ALA MB 1 81 ALA HA 3.500 . 3.800 2.872 2.725 3.029 . 0 0 "[ . 1 . 2]" 1
176 1 23 ALA MB 1 84 ILE MD 4.500 . 4.800 2.595 2.457 2.834 . 0 0 "[ . 1 . 2]" 1
177 1 24 LEU H 1 24 LEU HB2 3.500 . 3.800 2.728 2.601 2.807 . 0 0 "[ . 1 . 2]" 1
178 1 24 LEU H 1 24 LEU MD1 4.500 . 4.800 3.725 3.641 3.786 . 0 0 "[ . 1 . 2]" 1
179 1 24 LEU H 1 24 LEU MD2 4.500 . 4.800 3.394 3.233 3.574 . 0 0 "[ . 1 . 2]" 1
180 1 24 LEU H 1 24 LEU HG 3.500 . 3.800 2.343 2.251 2.411 . 0 0 "[ . 1 . 2]" 1
181 1 24 LEU H 1 25 PRO HD2 5.500 . 5.800 4.905 4.801 4.998 . 0 0 "[ . 1 . 2]" 1
182 1 24 LEU H 1 25 PRO QD 4.500 . 4.800 4.222 3.926 4.401 . 0 0 "[ . 1 . 2]" 1
183 1 24 LEU H 1 25 PRO HD3 5.500 . 5.800 4.656 4.139 5.107 . 0 0 "[ . 1 . 2]" 1
184 1 24 LEU H 1 27 THR H 5.500 . 5.800 5.502 5.056 5.806 0.006 18 0 "[ . 1 . 2]" 1
185 1 24 LEU HA 1 24 LEU MD1 4.500 . 4.800 3.917 3.873 3.950 . 0 0 "[ . 1 . 2]" 1
186 1 24 LEU HA 1 24 LEU MD2 4.500 . 4.800 2.341 2.243 2.445 . 0 0 "[ . 1 . 2]" 1
187 1 24 LEU HA 1 25 PRO HD2 4.500 . 4.800 2.321 2.281 2.357 . 0 0 "[ . 1 . 2]" 1
188 1 24 LEU HA 1 25 PRO HD3 4.500 . 4.800 2.392 2.328 2.545 . 0 0 "[ . 1 . 2]" 1
189 1 24 LEU HA 1 25 PRO HG2 5.500 . 5.800 4.507 4.473 4.531 . 0 0 "[ . 1 . 2]" 1
190 1 24 LEU HA 1 25 PRO HG3 5.500 . 5.800 4.536 4.497 4.607 . 0 0 "[ . 1 . 2]" 1
191 1 24 LEU HA 1 27 THR H 5.500 . 5.800 4.722 4.378 5.156 . 0 0 "[ . 1 . 2]" 1
192 1 24 LEU HA 1 73 THR MG 5.500 . 5.800 3.543 3.007 4.000 . 0 0 "[ . 1 . 2]" 1
193 1 24 LEU HA 1 77 ALA MB 3.500 . 3.800 2.442 2.246 2.668 . 0 0 "[ . 1 . 2]" 1
194 1 24 LEU HB2 1 27 THR H 4.500 . 4.800 3.198 2.802 3.516 . 0 0 "[ . 1 . 2]" 1
195 1 24 LEU HB2 1 27 THR HA 5.500 . 5.800 4.833 4.728 5.034 . 0 0 "[ . 1 . 2]" 1
196 1 24 LEU HB2 1 27 THR HB 4.500 . 4.800 2.341 2.301 2.447 . 0 0 "[ . 1 . 2]" 1
197 1 24 LEU HB3 1 27 THR H 4.500 . 4.800 3.170 2.839 3.659 . 0 0 "[ . 1 . 2]" 1
198 1 24 LEU HB3 1 27 THR HA 5.500 . 5.800 4.924 4.820 5.017 . 0 0 "[ . 1 . 2]" 1
199 1 24 LEU HB3 1 27 THR HB 4.500 . 4.800 2.299 2.263 2.341 . 0 0 "[ . 1 . 2]" 1
200 1 24 LEU MD1 1 27 THR HB 4.500 . 4.800 2.115 2.054 2.246 . 0 0 "[ . 1 . 2]" 1
201 1 24 LEU MD1 1 27 THR MG 3.500 . 3.800 2.382 2.287 2.464 . 0 0 "[ . 1 . 2]" 1
202 1 24 LEU MD1 1 28 THR H 5.500 . 5.800 4.747 4.710 4.798 . 0 0 "[ . 1 . 2]" 1
203 1 24 LEU MD1 1 31 GLN H 6.000 . 6.300 5.326 5.254 5.361 . 0 0 "[ . 1 . 2]" 1
204 1 24 LEU MD1 1 32 LEU H 5.500 . 5.800 4.590 4.214 4.929 . 0 0 "[ . 1 . 2]" 1
205 1 24 LEU MD2 1 25 PRO HD2 5.500 . 5.800 3.535 2.978 3.992 . 0 0 "[ . 1 . 2]" 1
206 1 24 LEU MD2 1 25 PRO HD3 5.500 . 5.800 4.030 3.696 4.306 . 0 0 "[ . 1 . 2]" 1
207 1 24 LEU MD2 1 27 THR HB 5.500 . 5.800 3.751 3.654 3.889 . 0 0 "[ . 1 . 2]" 1
208 1 24 LEU MD2 1 73 THR MG 4.500 . 4.800 2.652 2.144 3.087 . 0 0 "[ . 1 . 2]" 1
209 1 24 LEU MD2 1 77 ALA H 5.500 . 5.800 4.853 4.705 4.934 . 0 0 "[ . 1 . 2]" 1
210 1 24 LEU MD2 1 77 ALA MB 3.500 . 3.800 2.072 2.011 2.147 . 0 0 "[ . 1 . 2]" 1
211 1 24 LEU MD2 1 81 ALA H 4.500 . 4.800 3.408 3.292 3.630 . 0 0 "[ . 1 . 2]" 1
212 1 24 LEU MD2 1 81 ALA MB 3.500 . 3.800 2.157 2.013 2.447 . 0 0 "[ . 1 . 2]" 1
213 1 24 LEU HG 1 27 THR HB 5.500 . 5.800 4.092 4.018 4.231 . 0 0 "[ . 1 . 2]" 1
214 1 24 LEU HG 1 81 ALA MB 3.500 . 3.800 2.987 2.890 3.062 . 0 0 "[ . 1 . 2]" 1
215 1 25 PRO HA 1 26 GLY H 3.500 . 3.800 2.985 2.436 3.575 . 0 0 "[ . 1 . 2]" 1
216 1 25 PRO HA 1 27 THR H 4.500 . 4.800 4.668 4.183 4.866 0.066 3 0 "[ . 1 . 2]" 1
217 1 25 PRO HB2 1 26 GLY H 4.500 . 4.800 3.293 1.848 4.392 . 0 0 "[ . 1 . 2]" 1
218 1 25 PRO QD 1 26 GLY H 5.500 . 5.800 3.894 3.236 4.425 . 0 0 "[ . 1 . 2]" 1
219 1 25 PRO QD 1 73 THR MG 4.500 . 4.800 2.820 2.470 3.098 . 0 0 "[ . 1 . 2]" 1
220 1 25 PRO HD2 1 77 ALA MB 3.500 . 3.800 3.167 2.818 3.343 . 0 0 "[ . 1 . 2]" 1
221 1 25 PRO HD3 1 77 ALA MB 3.500 . 3.800 2.835 2.488 3.064 . 0 0 "[ . 1 . 2]" 1
222 1 25 PRO HG2 1 26 GLY HA3 5.500 . 5.800 4.731 4.161 5.862 0.062 3 0 "[ . 1 . 2]" 1
223 1 26 GLY H 1 27 THR H 3.500 . 3.800 2.435 1.779 3.185 0.021 10 0 "[ . 1 . 2]" 1
224 1 26 GLY H 1 27 THR HA 5.500 . 5.800 4.721 4.188 5.114 . 0 0 "[ . 1 . 2]" 1
225 1 26 GLY HA3 1 27 THR H 3.500 . 3.800 3.048 2.645 3.568 . 0 0 "[ . 1 . 2]" 1
226 1 27 THR H 1 27 THR HB 3.500 . 3.800 2.680 2.505 2.767 . 0 0 "[ . 1 . 2]" 1
227 1 27 THR H 1 27 THR MG 4.500 . 4.800 3.761 3.702 3.892 . 0 0 "[ . 1 . 2]" 1
228 1 27 THR H 1 28 THR H 5.500 . 5.800 4.555 4.404 4.609 . 0 0 "[ . 1 . 2]" 1
229 1 27 THR HA 1 27 THR MG 3.500 . 3.800 2.280 2.243 2.337 . 0 0 "[ . 1 . 2]" 1
230 1 27 THR HA 1 28 THR H 3.500 . 3.800 2.171 2.147 2.213 . 0 0 "[ . 1 . 2]" 1
231 1 27 THR HA 1 31 GLN HB2 5.500 . 5.800 3.822 3.580 4.273 . 0 0 "[ . 1 . 2]" 1
232 1 27 THR HA 1 31 GLN HB3 5.500 . 5.800 4.094 3.692 4.813 . 0 0 "[ . 1 . 2]" 1
233 1 27 THR HA 1 31 GLN QG 5.500 . 5.800 4.134 3.653 4.844 . 0 0 "[ . 1 . 2]" 1
234 1 27 THR HB 1 28 THR H 4.500 . 4.800 3.991 3.860 4.136 . 0 0 "[ . 1 . 2]" 1
235 1 27 THR MG 1 28 THR H 3.500 . 3.800 2.483 2.191 2.681 . 0 0 "[ . 1 . 2]" 1
236 1 27 THR MG 1 31 GLN H 4.500 . 4.800 3.752 3.628 3.890 . 0 0 "[ . 1 . 2]" 1
237 1 27 THR MG 1 31 GLN HB2 3.500 . 3.800 2.330 2.228 2.522 . 0 0 "[ . 1 . 2]" 1
238 1 27 THR MG 1 31 GLN HB3 3.500 . 3.800 2.485 2.183 2.762 . 0 0 "[ . 1 . 2]" 1
239 1 27 THR MG 1 61 LEU H 6.000 . 6.300 5.117 5.028 5.185 . 0 0 "[ . 1 . 2]" 1
240 1 27 THR MG 1 61 LEU HG 4.500 . 4.800 2.236 2.074 3.921 . 0 0 "[ . 1 . 2]" 1
241 1 28 THR H 1 28 THR MG 3.500 . 4.000 3.501 3.356 3.630 . 0 0 "[ . 1 . 2]" 1
242 1 28 THR H 1 29 VAL H 5.500 . 5.800 4.543 4.491 4.576 . 0 0 "[ . 1 . 2]" 1
243 1 28 THR H 1 31 GLN H 4.500 . 4.800 4.144 3.795 4.469 . 0 0 "[ . 1 . 2]" 1
244 1 28 THR H 1 31 GLN HA 5.500 . 5.800 5.137 4.787 5.468 . 0 0 "[ . 1 . 2]" 1
245 1 28 THR H 1 31 GLN HB3 4.500 . 4.800 3.324 2.856 3.868 . 0 0 "[ . 1 . 2]" 1
246 1 28 THR H 1 31 GLN QG 4.500 . 4.800 2.712 2.413 3.195 . 0 0 "[ . 1 . 2]" 1
247 1 28 THR H 1 32 LEU H 5.500 . 5.800 5.180 4.802 5.822 0.022 10 0 "[ . 1 . 2]" 1
248 1 28 THR HA 1 28 THR MG 3.500 . 3.800 2.172 2.156 2.212 . 0 0 "[ . 1 . 2]" 1
249 1 28 THR HB 1 29 VAL H 3.500 . 3.800 2.824 2.474 3.282 . 0 0 "[ . 1 . 2]" 1
250 1 28 THR HB 1 30 GLY H 3.500 . 3.800 3.166 2.797 3.486 . 0 0 "[ . 1 . 2]" 1
251 1 28 THR HB 1 31 GLN H 4.500 . 4.800 3.142 2.903 3.356 . 0 0 "[ . 1 . 2]" 1
252 1 28 THR MG 1 29 VAL H 4.500 . 4.800 2.277 1.816 2.835 . 0 0 "[ . 1 . 2]" 1
253 1 28 THR MG 1 30 GLY H 4.500 . 4.800 3.773 2.987 3.986 . 0 0 "[ . 1 . 2]" 1
254 1 28 THR MG 1 31 GLN H 5.500 . 5.800 4.546 4.034 4.764 . 0 0 "[ . 1 . 2]" 1
255 1 29 VAL H 1 29 VAL HB 3.500 . 3.800 2.671 2.621 2.728 . 0 0 "[ . 1 . 2]" 1
256 1 29 VAL H 1 29 VAL MG1 4.500 . 4.800 3.747 3.737 3.776 . 0 0 "[ . 1 . 2]" 1
257 1 29 VAL H 1 29 VAL MG2 4.500 . 4.800 1.821 1.767 1.995 0.033 18 0 "[ . 1 . 2]" 1
258 1 29 VAL H 1 30 GLY H 4.500 . 4.800 2.888 2.840 2.916 . 0 0 "[ . 1 . 2]" 1
259 1 29 VAL H 1 30 GLY HA2 5.500 . 5.800 5.432 5.405 5.456 . 0 0 "[ . 1 . 2]" 1
260 1 29 VAL H 1 30 GLY HA3 5.500 . 5.800 5.144 5.105 5.180 . 0 0 "[ . 1 . 2]" 1
261 1 29 VAL H 1 31 GLN H 5.500 . 5.800 3.926 3.859 4.082 . 0 0 "[ . 1 . 2]" 1
262 1 29 VAL HA 1 31 GLN H 5.500 . 5.800 3.679 3.617 3.751 . 0 0 "[ . 1 . 2]" 1
263 1 29 VAL HA 1 32 LEU H 4.500 . 4.800 4.043 3.726 4.254 . 0 0 "[ . 1 . 2]" 1
264 1 29 VAL HA 1 33 LEU H 5.500 . 5.800 5.332 4.637 5.739 . 0 0 "[ . 1 . 2]" 1
265 1 29 VAL HB 1 30 GLY H 4.500 . 4.800 2.110 1.918 2.259 . 0 0 "[ . 1 . 2]" 1
266 1 29 VAL HB 1 30 GLY HA3 5.500 . 5.800 4.034 3.899 4.102 . 0 0 "[ . 1 . 2]" 1
267 1 29 VAL MG1 1 30 GLY H 4.500 . 4.800 3.241 3.059 3.419 . 0 0 "[ . 1 . 2]" 1
268 1 29 VAL MG1 1 32 LEU H 5.500 . 5.800 4.768 4.728 4.814 . 0 0 "[ . 1 . 2]" 1
269 1 29 VAL MG2 1 30 GLY H 4.500 . 4.800 3.556 3.508 3.613 . 0 0 "[ . 1 . 2]" 1
270 1 29 VAL MG2 1 31 GLN H 5.500 . 5.800 4.887 4.852 4.946 . 0 0 "[ . 1 . 2]" 1
271 1 30 GLY H 1 31 GLN H 3.500 . 3.800 2.868 2.731 2.948 . 0 0 "[ . 1 . 2]" 1
272 1 30 GLY HA2 1 32 LEU H 5.500 . 5.800 3.898 3.615 4.282 . 0 0 "[ . 1 . 2]" 1
273 1 30 GLY HA2 1 33 LEU H 4.500 . 4.800 3.428 3.156 3.684 . 0 0 "[ . 1 . 2]" 1
274 1 30 GLY HA2 1 34 GLU H 4.500 . 4.800 3.768 3.254 4.386 . 0 0 "[ . 1 . 2]" 1
275 1 30 GLY HA3 1 32 LEU H 5.500 . 5.800 4.835 4.644 5.040 . 0 0 "[ . 1 . 2]" 1
276 1 30 GLY HA3 1 33 LEU H 5.500 . 5.800 4.849 4.610 5.097 . 0 0 "[ . 1 . 2]" 1
277 1 31 GLN H 1 31 GLN HB2 3.500 . 3.800 2.325 2.198 2.393 . 0 0 "[ . 1 . 2]" 1
278 1 31 GLN H 1 31 GLN QG 3.500 . 3.800 3.028 2.793 3.610 . 0 0 "[ . 1 . 2]" 1
279 1 31 GLN H 1 32 LEU H 3.500 . 3.800 2.154 2.079 2.260 . 0 0 "[ . 1 . 2]" 1
280 1 31 GLN H 1 33 LEU H 5.500 . 5.800 3.730 3.591 4.042 . 0 0 "[ . 1 . 2]" 1
281 1 31 GLN H 1 34 GLU H 5.500 . 5.800 4.727 4.492 5.003 . 0 0 "[ . 1 . 2]" 1
282 1 31 GLN H 1 61 LEU QD 6.000 . 6.500 4.411 4.333 4.753 . 0 0 "[ . 1 . 2]" 1
283 1 31 GLN HB2 1 32 LEU H 4.500 . 4.800 3.197 2.950 3.423 . 0 0 "[ . 1 . 2]" 1
284 1 31 GLN HB2 1 33 LEU H 5.500 . 5.800 5.246 5.057 5.516 . 0 0 "[ . 1 . 2]" 1
285 1 31 GLN HB3 1 32 LEU QB 5.500 . 5.800 4.661 4.392 5.022 . 0 0 "[ . 1 . 2]" 1
286 1 31 GLN HB3 1 61 LEU QD 4.500 . 4.800 2.197 2.063 2.500 . 0 0 "[ . 1 . 2]" 1
287 1 31 GLN QG 1 32 LEU H 5.500 . 5.800 4.458 4.310 4.700 . 0 0 "[ . 1 . 2]" 1
288 1 32 LEU H 1 32 LEU QB 3.500 . 3.800 2.410 2.222 3.038 . 0 0 "[ . 1 . 2]" 1
289 1 32 LEU H 1 33 LEU H 3.500 . 3.800 2.294 2.118 2.437 . 0 0 "[ . 1 . 2]" 1
290 1 32 LEU H 1 34 GLU H 4.500 . 4.800 4.002 3.819 4.151 . 0 0 "[ . 1 . 2]" 1
291 1 32 LEU H 1 61 LEU QD 5.500 . 5.800 3.595 3.362 3.941 . 0 0 "[ . 1 . 2]" 1
292 1 32 LEU HA 1 35 ILE H 4.500 . 4.800 4.378 4.109 4.651 . 0 0 "[ . 1 . 2]" 1
293 1 32 LEU QB 1 33 LEU H 4.500 . 4.800 3.239 2.718 3.743 . 0 0 "[ . 1 . 2]" 1
294 1 32 LEU QB 1 61 LEU QD 4.500 . 4.800 3.001 2.893 3.193 . 0 0 "[ . 1 . 2]" 1
295 1 32 LEU HG 1 33 LEU H 5.500 . 5.800 3.565 2.060 5.234 . 0 0 "[ . 1 . 2]" 1
296 1 33 LEU H 1 34 GLU H 4.500 . 4.800 2.342 2.237 2.470 . 0 0 "[ . 1 . 2]" 1
297 1 33 LEU H 1 35 ILE H 5.500 . 5.800 3.993 3.551 4.509 . 0 0 "[ . 1 . 2]" 1
298 1 33 LEU HA 1 35 ILE H 4.500 . 4.800 3.574 3.357 4.181 . 0 0 "[ . 1 . 2]" 1
299 1 33 LEU HA 1 36 LEU H 4.500 . 4.800 3.869 2.980 4.747 . 0 0 "[ . 1 . 2]" 1
300 1 34 GLU H 1 34 GLU QB 3.500 . 3.800 2.287 2.184 2.494 . 0 0 "[ . 1 . 2]" 1
301 1 34 GLU H 1 35 ILE H 3.500 . 3.800 2.943 2.748 3.173 . 0 0 "[ . 1 . 2]" 1
302 1 34 GLU H 1 36 LEU H 5.500 . 5.800 4.670 4.279 5.332 . 0 0 "[ . 1 . 2]" 1
303 1 35 ILE H 1 36 LEU H 4.500 . 4.800 2.780 2.384 3.155 . 0 0 "[ . 1 . 2]" 1
304 1 45 THR H 1 45 THR HG1 4.500 . 4.800 3.050 1.815 3.937 . 0 0 "[ . 1 . 2]" 1
305 1 45 THR H 1 45 THR MG 3.500 . 3.800 2.078 1.770 2.963 0.030 5 0 "[ . 1 . 2]" 1
306 1 45 THR H 1 46 GLU H 5.500 . 5.800 4.538 4.397 4.607 . 0 0 "[ . 1 . 2]" 1
307 1 45 THR H 1 48 SER H 4.500 . 4.800 3.535 2.681 4.125 . 0 0 "[ . 1 . 2]" 1
308 1 45 THR H 1 48 SER QB 3.500 . 3.800 2.587 2.082 3.183 . 0 0 "[ . 1 . 2]" 1
309 1 45 THR H 1 48 SER HG 4.500 . 4.800 3.867 1.841 4.802 0.002 16 0 "[ . 1 . 2]" 1
310 1 45 THR HA 1 45 THR MG 3.500 . 3.800 2.514 2.244 2.719 . 0 0 "[ . 1 . 2]" 1
311 1 45 THR HA 1 46 GLU H 4.500 . 4.800 2.476 2.330 2.636 . 0 0 "[ . 1 . 2]" 1
312 1 45 THR HA 1 49 LEU H 5.500 . 5.800 5.727 5.103 5.874 0.074 8 0 "[ . 1 . 2]" 1
313 1 45 THR HB 1 46 GLU H 4.500 . 4.800 2.443 2.185 2.728 . 0 0 "[ . 1 . 2]" 1
314 1 45 THR HB 1 47 GLU H 3.500 . 3.800 3.032 2.378 3.708 . 0 0 "[ . 1 . 2]" 1
315 1 45 THR HB 1 48 SER H 4.500 . 4.800 4.065 3.030 4.836 0.036 6 0 "[ . 1 . 2]" 1
316 1 45 THR HG1 1 46 GLU H 5.500 . 5.800 3.916 2.877 4.653 . 0 0 "[ . 1 . 2]" 1
317 1 45 THR HG1 1 47 GLU H 4.500 . 4.800 2.879 1.815 4.055 . 0 0 "[ . 1 . 2]" 1
318 1 45 THR HG1 1 48 SER H 4.500 . 4.800 2.754 2.007 3.648 . 0 0 "[ . 1 . 2]" 1
319 1 45 THR MG 1 46 GLU H 4.500 . 4.800 3.838 3.502 4.066 . 0 0 "[ . 1 . 2]" 1
320 1 45 THR MG 1 47 GLU H 4.500 . 4.800 4.054 3.954 4.105 . 0 0 "[ . 1 . 2]" 1
321 1 45 THR MG 1 48 SER H 4.500 . 4.800 3.891 3.685 4.074 . 0 0 "[ . 1 . 2]" 1
322 1 46 GLU H 1 46 GLU QB 3.500 . 3.800 2.456 2.236 2.694 . 0 0 "[ . 1 . 2]" 1
323 1 46 GLU H 1 47 GLU H 3.500 . 3.800 2.571 2.344 2.833 . 0 0 "[ . 1 . 2]" 1
324 1 46 GLU H 1 48 SER H 5.500 . 5.800 4.216 3.929 4.584 . 0 0 "[ . 1 . 2]" 1
325 1 46 GLU HA 1 49 LEU H 4.500 . 4.800 3.724 3.318 4.105 . 0 0 "[ . 1 . 2]" 1
326 1 46 GLU QG 1 47 GLU H 4.500 . 4.800 2.750 2.039 3.898 . 0 0 "[ . 1 . 2]" 1
327 1 46 GLU QG 1 48 SER H 5.500 . 5.800 4.714 4.262 5.223 . 0 0 "[ . 1 . 2]" 1
328 1 47 GLU H 1 47 GLU HB2 3.500 . 3.800 2.716 2.302 3.641 . 0 0 "[ . 1 . 2]" 1
329 1 47 GLU H 1 48 SER H 3.500 . 3.800 2.466 2.234 2.724 . 0 0 "[ . 1 . 2]" 1
330 1 47 GLU H 1 48 SER HA 5.500 . 5.800 5.096 4.882 5.328 . 0 0 "[ . 1 . 2]" 1
331 1 47 GLU HA 1 50 GLN H 4.500 . 4.800 3.434 3.209 3.822 . 0 0 "[ . 1 . 2]" 1
332 1 47 GLU HA 1 50 GLN HB2 5.500 . 5.800 3.255 2.572 4.145 . 0 0 "[ . 1 . 2]" 1
333 1 47 GLU HA 1 50 GLN QB 5.500 . 5.800 3.187 2.549 4.024 . 0 0 "[ . 1 . 2]" 1
334 1 47 GLU HA 1 50 GLN HB3 5.500 . 5.800 4.644 4.187 5.445 . 0 0 "[ . 1 . 2]" 1
335 1 47 GLU HA 1 50 GLN HG2 4.500 . 4.800 4.315 3.621 4.798 . 0 0 "[ . 1 . 2]" 1
336 1 47 GLU HA 1 50 GLN HG3 4.500 . 4.800 2.971 2.357 4.787 . 0 0 "[ . 1 . 2]" 1
337 1 47 GLU HB2 1 48 SER H 3.500 . 3.800 3.351 2.449 3.867 0.067 14 0 "[ . 1 . 2]" 1
338 1 47 GLU HB3 1 48 SER H 3.500 . 3.800 3.329 2.599 3.884 0.084 16 0 "[ . 1 . 2]" 1
339 1 47 GLU QG 1 48 SER H 5.500 . 5.800 3.585 1.770 4.615 0.030 7 0 "[ . 1 . 2]" 1
340 1 48 SER H 1 48 SER QB 3.500 . 3.800 2.318 2.215 2.645 . 0 0 "[ . 1 . 2]" 1
341 1 48 SER H 1 48 SER HG 4.500 . 4.800 3.554 2.091 4.462 . 0 0 "[ . 1 . 2]" 1
342 1 48 SER H 1 49 LEU H 3.500 . 3.800 2.764 2.543 2.938 . 0 0 "[ . 1 . 2]" 1
343 1 48 SER H 1 50 GLN H 4.500 . 4.800 4.150 3.946 4.411 . 0 0 "[ . 1 . 2]" 1
344 1 48 SER HA 1 50 GLN H 4.500 . 4.800 4.067 3.472 4.649 . 0 0 "[ . 1 . 2]" 1
345 1 48 SER QB 1 49 LEU H 3.500 . 3.800 2.855 2.238 3.538 . 0 0 "[ . 1 . 2]" 1
346 1 48 SER HG 1 49 LEU H 5.500 . 5.800 3.852 1.875 5.150 . 0 0 "[ . 1 . 2]" 1
347 1 49 LEU H 1 49 LEU HB2 3.500 . 3.800 2.307 2.130 2.759 . 0 0 "[ . 1 . 2]" 1
348 1 49 LEU H 1 49 LEU HB3 3.500 . 3.800 3.388 2.718 3.584 . 0 0 "[ . 1 . 2]" 1
349 1 49 LEU H 1 49 LEU QD 4.500 . 4.800 2.432 1.736 3.738 0.064 12 0 "[ . 1 . 2]" 1
350 1 49 LEU H 1 50 GLN H 3.500 . 3.800 2.655 2.504 2.870 . 0 0 "[ . 1 . 2]" 1
351 1 49 LEU H 1 50 GLN HG2 5.500 . 5.800 5.570 5.097 5.894 0.094 6 0 "[ . 1 . 2]" 1
352 1 49 LEU H 1 50 GLN HG3 5.500 . 5.800 4.164 3.605 5.825 0.025 6 0 "[ . 1 . 2]" 1
353 1 49 LEU H 1 51 GLY H 5.500 . 5.800 5.551 5.161 5.743 . 0 0 "[ . 1 . 2]" 1
354 1 49 LEU HB2 1 50 GLN H 4.500 . 4.800 3.140 2.448 4.125 . 0 0 "[ . 1 . 2]" 1
355 1 49 LEU HB3 1 50 GLN H 3.500 . 3.800 3.479 2.692 3.842 0.042 11 0 "[ . 1 . 2]" 1
356 1 50 GLN H 1 50 GLN QB 3.500 . 3.800 2.479 2.275 2.579 . 0 0 "[ . 1 . 2]" 1
357 1 50 GLN H 1 50 GLN HG2 3.500 . 3.800 3.341 2.944 3.812 0.012 6 0 "[ . 1 . 2]" 1
358 1 50 GLN H 1 50 GLN HG3 3.500 . 3.800 2.184 1.893 3.588 . 0 0 "[ . 1 . 2]" 1
359 1 50 GLN H 1 51 GLY H 3.500 . 3.800 3.788 3.460 3.880 0.080 8 0 "[ . 1 . 2]" 1
360 1 50 GLN H 1 86 TRP HA 5.500 . 5.800 4.808 4.314 5.337 . 0 0 "[ . 1 . 2]" 1
361 1 50 GLN HA 1 86 TRP HA 4.500 . 4.800 4.498 4.283 4.753 . 0 0 "[ . 1 . 2]" 1
362 1 50 GLN HA 1 86 TRP HE1 4.500 . 4.800 4.660 4.116 4.851 0.051 6 0 "[ . 1 . 2]" 1
363 1 50 GLN HA 1 86 TRP HZ3 4.500 . 4.800 3.876 3.332 4.440 . 0 0 "[ . 1 . 2]" 1
364 1 50 GLN QB 1 52 VAL H 5.500 . 5.800 4.878 4.748 4.989 . 0 0 "[ . 1 . 2]" 1
365 1 50 GLN QB 1 86 TRP HE1 5.500 . 5.800 4.183 3.807 4.478 . 0 0 "[ . 1 . 2]" 1
366 1 50 GLN HB2 1 51 GLY H 4.500 . 4.800 4.444 4.335 4.509 . 0 0 "[ . 1 . 2]" 1
367 1 50 GLN HB2 1 52 VAL H 5.500 . 5.800 5.810 5.638 5.871 0.071 13 0 "[ . 1 . 2]" 1
368 1 50 GLN HB3 1 51 GLY H 4.500 . 4.800 4.300 4.228 4.462 . 0 0 "[ . 1 . 2]" 1
369 1 50 GLN HB3 1 52 VAL H 5.500 . 5.800 5.243 5.060 5.410 . 0 0 "[ . 1 . 2]" 1
370 1 50 GLN HG2 1 51 GLY H 5.500 . 5.800 4.988 4.757 5.845 0.045 6 0 "[ . 1 . 2]" 1
371 1 50 GLN HG2 1 86 TRP H 5.500 . 5.800 5.331 4.879 5.841 0.041 6 0 "[ . 1 . 2]" 1
372 1 50 GLN HG2 1 86 TRP HA 4.500 . 4.800 2.730 2.329 3.251 . 0 0 "[ . 1 . 2]" 1
373 1 50 GLN HG2 1 86 TRP QB 5.500 . 5.800 4.082 3.761 4.389 . 0 0 "[ . 1 . 2]" 1
374 1 50 GLN HG2 1 86 TRP HE1 4.500 . 4.800 4.071 3.309 4.692 . 0 0 "[ . 1 . 2]" 1
375 1 50 GLN HG3 1 86 TRP HA 5.500 . 5.800 3.254 2.596 3.719 . 0 0 "[ . 1 . 2]" 1
376 1 51 GLY H 1 52 VAL QG 5.500 . 5.800 3.525 3.390 3.679 . 0 0 "[ . 1 . 2]" 1
377 1 52 VAL H 1 52 VAL HB 3.500 . 3.800 2.779 2.638 2.852 . 0 0 "[ . 1 . 2]" 1
378 1 52 VAL H 1 52 VAL MG1 4.500 . 4.800 2.631 2.544 2.814 . 0 0 "[ . 1 . 2]" 1
379 1 52 VAL H 1 52 VAL QG 3.500 . 3.800 2.593 2.514 2.749 . 0 0 "[ . 1 . 2]" 1
380 1 52 VAL H 1 52 VAL MG2 4.500 . 4.800 3.928 3.864 3.963 . 0 0 "[ . 1 . 2]" 1
381 1 52 VAL H 1 53 SER H 5.500 . 5.800 4.455 4.427 4.485 . 0 0 "[ . 1 . 2]" 1
382 1 52 VAL HA 1 52 VAL MG1 3.500 . 3.800 3.169 3.125 3.182 . 0 0 "[ . 1 . 2]" 1
383 1 52 VAL HA 1 52 VAL MG2 3.500 . 3.800 2.219 2.186 2.237 . 0 0 "[ . 1 . 2]" 1
384 1 52 VAL HA 1 53 SER H 3.500 . 3.800 2.557 2.504 2.600 . 0 0 "[ . 1 . 2]" 1
385 1 52 VAL HA 1 56 ASP HB3 5.500 . 5.800 4.667 4.500 4.749 . 0 0 "[ . 1 . 2]" 1
386 1 52 VAL QG 1 53 SER H 3.500 . 3.800 1.746 1.686 1.911 0.114 17 0 "[ . 1 . 2]" 1
387 1 52 VAL QG 1 53 SER HA 4.500 . 4.800 3.367 3.327 3.412 . 0 0 "[ . 1 . 2]" 1
388 1 52 VAL QG 1 56 ASP H 4.500 . 4.800 3.498 3.349 3.545 . 0 0 "[ . 1 . 2]" 1
389 1 52 VAL QG 1 56 ASP HA 5.500 . 5.800 3.996 3.942 4.028 . 0 0 "[ . 1 . 2]" 1
390 1 52 VAL QG 1 56 ASP HB2 4.500 . 4.800 2.293 2.235 2.338 . 0 0 "[ . 1 . 2]" 1
391 1 52 VAL QG 1 56 ASP HB3 4.500 . 4.800 1.986 1.943 2.002 . 0 0 "[ . 1 . 2]" 1
392 1 52 VAL QG 1 57 LEU H 4.500 . 4.800 3.590 3.468 3.639 . 0 0 "[ . 1 . 2]" 1
393 1 52 VAL QG 1 57 LEU HA 5.500 . 5.800 4.111 3.997 4.220 . 0 0 "[ . 1 . 2]" 1
394 1 52 VAL QG 1 57 LEU QD 4.500 . 4.800 1.939 1.876 1.984 . 0 0 "[ . 1 . 2]" 1
395 1 52 VAL QG 1 57 LEU HG 4.500 . 4.800 3.346 3.272 3.430 . 0 0 "[ . 1 . 2]" 1
396 1 52 VAL MG1 1 53 SER H 4.500 . 4.800 2.440 2.274 2.591 . 0 0 "[ . 1 . 2]" 1
397 1 52 VAL MG1 1 53 SER HA 5.500 . 5.800 3.493 3.425 3.562 . 0 0 "[ . 1 . 2]" 1
398 1 52 VAL MG2 1 53 SER H 4.500 . 4.800 1.792 1.721 2.054 0.079 17 0 "[ . 1 . 2]" 1
399 1 52 VAL MG2 1 53 SER HA 5.500 . 5.800 4.414 4.369 4.622 . 0 0 "[ . 1 . 2]" 1
400 1 53 SER H 1 53 SER QB 3.500 . 3.800 2.539 2.407 2.682 . 0 0 "[ . 1 . 2]" 1
401 1 53 SER H 1 54 VAL H 5.500 . 5.800 4.500 4.482 4.515 . 0 0 "[ . 1 . 2]" 1
402 1 53 SER H 1 55 THR H 5.500 . 5.800 5.085 4.831 5.264 . 0 0 "[ . 1 . 2]" 1
403 1 53 SER H 1 56 ASP H 4.500 . 4.800 3.608 3.442 3.717 . 0 0 "[ . 1 . 2]" 1
404 1 53 SER H 1 56 ASP HB2 4.500 . 4.800 2.818 2.630 2.990 . 0 0 "[ . 1 . 2]" 1
405 1 53 SER H 1 56 ASP HB3 4.500 . 4.800 2.920 2.849 3.111 . 0 0 "[ . 1 . 2]" 1
406 1 53 SER H 1 57 LEU H 5.500 . 5.800 4.946 4.879 5.053 . 0 0 "[ . 1 . 2]" 1
407 1 53 SER H 1 57 LEU MD1 5.500 . 5.800 3.638 3.600 3.688 . 0 0 "[ . 1 . 2]" 1
408 1 53 SER H 1 57 LEU QD 5.500 . 5.800 3.605 3.568 3.653 . 0 0 "[ . 1 . 2]" 1
409 1 53 SER H 1 57 LEU HG 6.000 . 6.300 6.387 6.362 6.419 0.119 8 0 "[ . 1 . 2]" 1
410 1 53 SER HA 1 54 VAL H 3.500 . 3.800 2.426 2.393 2.466 . 0 0 "[ . 1 . 2]" 1
411 1 53 SER HA 1 54 VAL MG2 5.500 . 5.800 4.168 4.077 4.270 . 0 0 "[ . 1 . 2]" 1
412 1 53 SER HA 1 55 THR H 5.500 . 5.800 4.489 4.271 4.664 . 0 0 "[ . 1 . 2]" 1
413 1 53 SER HA 1 56 ASP H 5.500 . 5.800 4.719 4.634 4.797 . 0 0 "[ . 1 . 2]" 1
414 1 53 SER HA 1 57 LEU QD 5.500 . 5.800 4.004 3.964 4.035 . 0 0 "[ . 1 . 2]" 1
415 1 53 SER HA 1 82 VAL MG2 5.500 . 5.800 4.239 4.057 4.365 . 0 0 "[ . 1 . 2]" 1
416 1 53 SER HA 1 86 TRP HH2 5.500 . 5.800 4.030 3.548 5.764 . 0 0 "[ . 1 . 2]" 1
417 1 53 SER HA 1 86 TRP HZ2 4.500 . 4.800 4.299 4.140 4.476 . 0 0 "[ . 1 . 2]" 1
418 1 53 SER QB 1 54 VAL H 3.500 . 3.800 2.482 2.404 2.564 . 0 0 "[ . 1 . 2]" 1
419 1 53 SER QB 1 54 VAL HA 5.500 . 5.800 4.495 4.471 4.530 . 0 0 "[ . 1 . 2]" 1
420 1 53 SER QB 1 54 VAL HB 5.500 . 5.800 4.012 3.924 4.090 . 0 0 "[ . 1 . 2]" 1
421 1 53 SER QB 1 55 THR H 3.500 . 3.800 2.850 2.568 3.035 . 0 0 "[ . 1 . 2]" 1
422 1 53 SER QB 1 55 THR HA 5.500 . 5.800 5.028 4.875 5.119 . 0 0 "[ . 1 . 2]" 1
423 1 53 SER QB 1 56 ASP H 3.500 . 3.800 3.074 2.963 3.197 . 0 0 "[ . 1 . 2]" 1
424 1 53 SER QB 1 57 LEU H 5.500 . 5.800 5.055 4.989 5.135 . 0 0 "[ . 1 . 2]" 1
425 1 53 SER HB2 1 54 VAL H 4.500 . 4.800 3.626 3.441 3.869 . 0 0 "[ . 1 . 2]" 1
426 1 53 SER HB3 1 54 VAL H 4.500 . 4.800 2.528 2.438 2.643 . 0 0 "[ . 1 . 2]" 1
427 1 54 VAL H 1 54 VAL HB 3.500 . 3.800 2.248 2.187 2.285 . 0 0 "[ . 1 . 2]" 1
428 1 54 VAL H 1 54 VAL MG2 3.500 . 3.800 2.590 2.509 2.701 . 0 0 "[ . 1 . 2]" 1
429 1 54 VAL H 1 55 THR H 3.500 . 3.800 2.811 2.739 2.861 . 0 0 "[ . 1 . 2]" 1
430 1 54 VAL H 1 56 ASP H 5.500 . 5.800 4.207 4.133 4.275 . 0 0 "[ . 1 . 2]" 1
431 1 54 VAL H 1 57 LEU H 5.500 . 5.800 5.243 5.190 5.284 . 0 0 "[ . 1 . 2]" 1
432 1 54 VAL H 1 57 LEU QD 5.500 . 5.800 3.709 3.679 3.734 . 0 0 "[ . 1 . 2]" 1
433 1 54 VAL H 1 82 VAL MG2 4.500 . 4.800 3.786 3.729 3.848 . 0 0 "[ . 1 . 2]" 1
434 1 54 VAL H 1 86 TRP HZ2 5.500 . 5.800 5.824 5.720 5.866 0.066 12 0 "[ . 1 . 2]" 1
435 1 54 VAL HA 1 55 THR HA 5.500 . 5.800 4.845 4.827 4.865 . 0 0 "[ . 1 . 2]" 1
436 1 54 VAL HA 1 56 ASP H 5.500 . 5.800 3.907 3.851 3.974 . 0 0 "[ . 1 . 2]" 1
437 1 54 VAL HA 1 57 LEU H 4.500 . 4.800 3.449 3.408 3.492 . 0 0 "[ . 1 . 2]" 1
438 1 54 VAL HA 1 57 LEU QB 4.500 . 4.800 3.294 3.257 3.345 . 0 0 "[ . 1 . 2]" 1
439 1 54 VAL HA 1 57 LEU MD1 5.500 . 5.800 2.100 2.072 2.115 . 0 0 "[ . 1 . 2]" 1
440 1 54 VAL HA 1 57 LEU QD 3.500 . 3.800 2.016 2.006 2.033 . 0 0 "[ . 1 . 2]" 1
441 1 54 VAL HA 1 57 LEU MD2 5.500 . 5.800 2.601 2.534 2.673 . 0 0 "[ . 1 . 2]" 1
442 1 54 VAL HA 1 58 LYS H 5.500 . 5.800 4.825 4.742 4.880 . 0 0 "[ . 1 . 2]" 1
443 1 54 VAL HA 1 82 VAL HB 5.500 . 5.800 3.757 3.608 3.847 . 0 0 "[ . 1 . 2]" 1
444 1 54 VAL HA 1 82 VAL MG2 5.500 . 5.800 2.953 2.845 3.054 . 0 0 "[ . 1 . 2]" 1
445 1 54 VAL HB 1 55 THR H 3.500 . 3.800 2.795 2.740 2.942 . 0 0 "[ . 1 . 2]" 1
446 1 54 VAL HB 1 55 THR HA 4.500 . 4.800 4.670 4.600 4.753 . 0 0 "[ . 1 . 2]" 1
447 1 54 VAL HB 1 57 LEU QD 5.500 . 5.800 4.235 4.218 4.256 . 0 0 "[ . 1 . 2]" 1
448 1 54 VAL HB 1 79 LYS QD 5.500 . 5.800 4.288 3.590 4.572 . 0 0 "[ . 1 . 2]" 1
449 1 54 VAL HB 1 82 VAL MG1 5.500 . 5.800 4.604 4.570 4.646 . 0 0 "[ . 1 . 2]" 1
450 1 54 VAL MG1 1 55 THR H 3.500 . 3.800 2.920 2.685 3.036 . 0 0 "[ . 1 . 2]" 1
451 1 54 VAL MG1 1 55 THR HA 4.500 . 4.800 3.049 2.931 3.123 . 0 0 "[ . 1 . 2]" 1
452 1 54 VAL MG1 1 57 LEU QD 5.500 . 5.800 3.223 3.146 3.362 . 0 0 "[ . 1 . 2]" 1
453 1 54 VAL MG1 1 58 LYS H 4.500 . 4.800 3.875 3.842 3.909 . 0 0 "[ . 1 . 2]" 1
454 1 54 VAL MG1 1 78 LEU H 5.500 . 5.800 4.534 4.333 4.706 . 0 0 "[ . 1 . 2]" 1
455 1 54 VAL MG1 1 79 LYS H 4.500 . 4.800 3.687 3.324 3.863 . 0 0 "[ . 1 . 2]" 1
456 1 54 VAL MG1 1 79 LYS HA 4.500 . 5.000 4.000 3.940 4.048 . 0 0 "[ . 1 . 2]" 1
457 1 54 VAL MG1 1 79 LYS QD 4.500 . 4.800 2.402 2.126 3.088 . 0 0 "[ . 1 . 2]" 1
458 1 54 VAL MG2 1 57 LEU QD 4.500 . 4.800 2.794 2.767 2.832 . 0 0 "[ . 1 . 2]" 1
459 1 54 VAL MG2 1 79 LYS HA 3.500 . 3.800 2.838 2.473 2.996 . 0 0 "[ . 1 . 2]" 1
460 1 54 VAL MG2 1 79 LYS QD 4.500 . 4.800 2.760 2.288 3.049 . 0 0 "[ . 1 . 2]" 1
461 1 54 VAL MG2 1 79 LYS HE2 5.500 . 5.800 4.262 4.149 4.413 . 0 0 "[ . 1 . 2]" 1
462 1 54 VAL MG2 1 79 LYS QE 5.500 . 5.800 4.043 3.953 4.122 . 0 0 "[ . 1 . 2]" 1
463 1 54 VAL MG2 1 79 LYS HG2 5.500 . 5.800 4.065 2.430 4.495 . 0 0 "[ . 1 . 2]" 1
464 1 54 VAL MG2 1 79 LYS QG 4.500 . 4.800 2.889 2.409 3.112 . 0 0 "[ . 1 . 2]" 1
465 1 54 VAL MG2 1 79 LYS HG3 5.500 . 5.800 3.234 2.961 4.033 . 0 0 "[ . 1 . 2]" 1
466 1 54 VAL MG2 1 82 VAL HB 4.500 . 4.800 2.463 2.351 2.642 . 0 0 "[ . 1 . 2]" 1
467 1 54 VAL MG2 1 82 VAL MG1 4.500 . 4.800 2.118 2.079 2.200 . 0 0 "[ . 1 . 2]" 1
468 1 54 VAL MG2 1 82 VAL MG2 4.500 . 4.800 2.110 2.031 2.256 . 0 0 "[ . 1 . 2]" 1
469 1 55 THR H 1 55 THR HB 3.500 . 3.800 2.336 2.291 2.381 . 0 0 "[ . 1 . 2]" 1
470 1 55 THR H 1 55 THR MG 4.500 . 4.800 3.718 3.702 3.733 . 0 0 "[ . 1 . 2]" 1
471 1 55 THR H 1 56 ASP H 3.500 . 3.800 2.808 2.756 2.853 . 0 0 "[ . 1 . 2]" 1
472 1 55 THR H 1 56 ASP HB2 5.500 . 5.800 5.029 4.936 5.112 . 0 0 "[ . 1 . 2]" 1
473 1 55 THR HA 1 55 THR MG 3.500 . 3.800 2.505 2.462 2.558 . 0 0 "[ . 1 . 2]" 1
474 1 55 THR HA 1 57 LEU H 4.500 . 4.800 4.187 4.109 4.241 . 0 0 "[ . 1 . 2]" 1
475 1 55 THR HA 1 58 LYS HB3 3.500 . 3.800 3.849 3.730 3.902 0.102 13 0 "[ . 1 . 2]" 1
476 1 55 THR HB 1 56 ASP H 4.500 . 4.800 3.120 3.063 3.166 . 0 0 "[ . 1 . 2]" 1
477 1 55 THR HB 1 57 LEU H 5.500 . 5.800 5.282 5.236 5.316 . 0 0 "[ . 1 . 2]" 1
478 1 55 THR MG 1 56 ASP H 4.500 . 4.800 3.457 3.371 3.530 . 0 0 "[ . 1 . 2]" 1
479 1 55 THR MG 1 56 ASP HA 4.500 . 4.800 3.287 3.226 3.335 . 0 0 "[ . 1 . 2]" 1
480 1 55 THR MG 1 57 LEU H 5.500 . 5.800 4.839 4.807 4.866 . 0 0 "[ . 1 . 2]" 1
481 1 55 THR MG 1 59 ILE H 5.500 . 5.800 4.280 4.118 4.455 . 0 0 "[ . 1 . 2]" 1
482 1 55 THR MG 1 59 ILE MD 3.500 . 3.800 2.256 2.215 2.332 . 0 0 "[ . 1 . 2]" 1
483 1 56 ASP H 1 56 ASP HB2 3.500 . 3.800 2.503 2.419 2.582 . 0 0 "[ . 1 . 2]" 1
484 1 56 ASP H 1 57 LEU H 3.500 . 3.800 2.470 2.437 2.499 . 0 0 "[ . 1 . 2]" 1
485 1 56 ASP H 1 57 LEU QD 5.500 . 5.800 2.844 2.796 2.912 . 0 0 "[ . 1 . 2]" 1
486 1 56 ASP H 1 58 LYS H 4.500 . 4.800 4.791 4.689 4.842 0.042 19 0 "[ . 1 . 2]" 1
487 1 56 ASP H 1 59 ILE MG 5.500 . 5.800 4.825 4.795 4.848 . 0 0 "[ . 1 . 2]" 1
488 1 56 ASP HA 1 59 ILE H 4.500 . 4.800 3.974 3.934 4.033 . 0 0 "[ . 1 . 2]" 1
489 1 56 ASP HA 1 59 ILE HB 5.500 . 5.800 4.929 4.893 4.979 . 0 0 "[ . 1 . 2]" 1
490 1 56 ASP HA 1 59 ILE MD 4.500 . 4.800 2.127 2.077 2.171 . 0 0 "[ . 1 . 2]" 1
491 1 56 ASP HB2 1 57 LEU H 4.500 . 4.800 3.910 3.855 3.967 . 0 0 "[ . 1 . 2]" 1
492 1 56 ASP HB2 1 59 ILE MD 4.500 . 4.800 3.853 3.797 3.873 . 0 0 "[ . 1 . 2]" 1
493 1 56 ASP HB3 1 57 LEU H 3.500 . 3.800 2.791 2.733 2.837 . 0 0 "[ . 1 . 2]" 1
494 1 56 ASP HB3 1 58 LYS H 5.500 . 5.800 5.688 5.616 5.778 . 0 0 "[ . 1 . 2]" 1
495 1 56 ASP HB3 1 60 GLY H 5.500 . 5.800 5.802 5.690 5.846 0.046 4 0 "[ . 1 . 2]" 1
496 1 57 LEU H 1 57 LEU QB 3.500 . 3.800 2.387 2.357 2.427 . 0 0 "[ . 1 . 2]" 1
497 1 57 LEU H 1 57 LEU MD1 4.500 . 4.800 1.575 1.551 1.602 0.249 7 0 "[ . 1 . 2]" 1
498 1 57 LEU H 1 57 LEU QD 3.500 . 3.800 1.573 1.549 1.601 0.251 7 0 "[ . 1 . 2]" 1
499 1 57 LEU H 1 57 LEU MD2 4.500 . 4.800 3.669 3.651 3.698 . 0 0 "[ . 1 . 2]" 1
500 1 57 LEU H 1 57 LEU HG 3.500 . 3.800 3.489 3.412 3.562 . 0 0 "[ . 1 . 2]" 1
501 1 57 LEU H 1 58 LYS H 3.500 . 3.800 3.001 2.929 3.059 . 0 0 "[ . 1 . 2]" 1
502 1 57 LEU H 1 58 LYS HB3 5.500 . 5.800 5.098 4.966 5.228 . 0 0 "[ . 1 . 2]" 1
503 1 57 LEU H 1 59 ILE H 4.500 . 4.800 4.132 4.085 4.174 . 0 0 "[ . 1 . 2]" 1
504 1 57 LEU H 1 60 GLY H 5.500 . 5.800 4.628 4.533 4.705 . 0 0 "[ . 1 . 2]" 1
505 1 57 LEU HA 1 57 LEU MD1 4.500 . 4.800 2.725 2.670 2.838 . 0 0 "[ . 1 . 2]" 1
506 1 57 LEU HA 1 57 LEU QD 3.500 . 3.800 2.664 2.616 2.758 . 0 0 "[ . 1 . 2]" 1
507 1 57 LEU HA 1 57 LEU MD2 4.500 . 4.800 3.760 3.739 3.776 . 0 0 "[ . 1 . 2]" 1
508 1 57 LEU HA 1 59 ILE H 5.500 . 5.800 4.425 4.329 4.543 . 0 0 "[ . 1 . 2]" 1
509 1 57 LEU QB 1 58 LYS H 3.500 . 3.800 2.159 2.111 2.220 . 0 0 "[ . 1 . 2]" 1
510 1 57 LEU QB 1 60 GLY H 5.500 . 5.800 4.589 4.468 4.775 . 0 0 "[ . 1 . 2]" 1
511 1 57 LEU QB 1 78 LEU QD 4.500 . 4.800 2.515 2.275 2.647 . 0 0 "[ . 1 . 2]" 1
512 1 57 LEU HB2 1 58 LYS H 4.500 . 4.800 2.207 2.158 2.277 . 0 0 "[ . 1 . 2]" 1
513 1 57 LEU HB3 1 58 LYS H 4.500 . 4.800 3.064 2.994 3.178 . 0 0 "[ . 1 . 2]" 1
514 1 57 LEU QD 1 82 VAL HA 4.500 . 4.800 2.656 2.427 2.849 . 0 0 "[ . 1 . 2]" 1
515 1 57 LEU QD 1 82 VAL HB 4.500 . 4.800 2.290 2.205 2.378 . 0 0 "[ . 1 . 2]" 1
516 1 57 LEU QD 1 82 VAL MG2 3.500 . 3.800 2.052 1.994 2.134 . 0 0 "[ . 1 . 2]" 1
517 1 58 LYS H 1 58 LYS HB3 3.500 . 3.800 2.579 2.452 2.679 . 0 0 "[ . 1 . 2]" 1
518 1 58 LYS H 1 59 ILE H 3.500 . 3.800 2.868 2.837 2.895 . 0 0 "[ . 1 . 2]" 1
519 1 58 LYS H 1 60 GLY H 5.500 . 5.800 4.032 3.958 4.185 . 0 0 "[ . 1 . 2]" 1
520 1 58 LYS H 1 61 LEU H 5.500 . 5.800 5.328 5.194 5.502 . 0 0 "[ . 1 . 2]" 1
521 1 58 LYS H 1 78 LEU QD 4.500 . 4.800 3.025 2.869 3.190 . 0 0 "[ . 1 . 2]" 1
522 1 58 LYS H 1 78 LEU HG 5.500 . 5.800 2.955 2.283 3.279 . 0 0 "[ . 1 . 2]" 1
523 1 58 LYS HA 1 60 GLY H 4.500 . 4.800 4.013 3.923 4.272 . 0 0 "[ . 1 . 2]" 1
524 1 58 LYS HA 1 61 LEU H 4.500 . 4.800 3.784 3.603 4.001 . 0 0 "[ . 1 . 2]" 1
525 1 58 LYS HA 1 61 LEU HB2 5.500 . 5.800 4.004 3.721 4.277 . 0 0 "[ . 1 . 2]" 1
526 1 58 LYS HA 1 61 LEU HB3 5.500 . 5.800 5.590 5.154 5.854 0.054 17 0 "[ . 1 . 2]" 1
527 1 58 LYS HA 1 61 LEU QD 4.500 . 4.800 2.444 2.297 2.561 . 0 0 "[ . 1 . 2]" 1
528 1 58 LYS HA 1 78 LEU QD 4.500 . 4.800 2.680 2.497 2.835 . 0 0 "[ . 1 . 2]" 1
529 1 58 LYS HA 1 78 LEU HG 4.500 . 4.800 4.007 3.636 4.210 . 0 0 "[ . 1 . 2]" 1
530 1 58 LYS HB3 1 58 LYS QE 4.500 . 4.800 2.168 2.094 2.279 . 0 0 "[ . 1 . 2]" 1
531 1 58 LYS HB3 1 59 ILE H 3.500 . 3.800 2.756 2.564 2.824 . 0 0 "[ . 1 . 2]" 1
532 1 58 LYS HB3 1 68 VAL QG 4.500 . 4.800 3.472 3.256 3.629 . 0 0 "[ . 1 . 2]" 1
533 1 58 LYS HB3 1 78 LEU MD1 5.500 . 5.800 3.909 3.776 4.083 . 0 0 "[ . 1 . 2]" 1
534 1 58 LYS HB3 1 78 LEU QD 4.500 . 4.800 3.470 3.206 3.568 . 0 0 "[ . 1 . 2]" 1
535 1 58 LYS HB3 1 78 LEU MD2 5.500 . 5.800 3.931 3.352 4.271 . 0 0 "[ . 1 . 2]" 1
536 1 58 LYS HB3 1 78 LEU HG 4.500 . 4.800 3.562 3.448 3.662 . 0 0 "[ . 1 . 2]" 1
537 1 58 LYS QD 1 68 VAL QG 5.500 . 5.800 3.142 2.788 3.485 . 0 0 "[ . 1 . 2]" 1
538 1 58 LYS QE 1 68 VAL QG 4.500 . 4.800 2.911 2.819 3.138 . 0 0 "[ . 1 . 2]" 1
539 1 58 LYS QE 1 78 LEU QD 4.500 . 4.800 2.615 2.390 2.815 . 0 0 "[ . 1 . 2]" 1
540 1 58 LYS HE2 1 59 ILE H 5.500 . 5.800 5.236 4.972 5.947 0.147 20 0 "[ . 1 . 2]" 1
541 1 58 LYS HE3 1 59 ILE H 5.500 . 5.800 4.741 4.544 4.906 . 0 0 "[ . 1 . 2]" 1
542 1 58 LYS QG 1 59 ILE H 4.500 . 4.800 3.624 3.471 3.752 . 0 0 "[ . 1 . 2]" 1
543 1 58 LYS QG 1 68 VAL HB 5.500 . 5.800 2.248 2.157 2.317 . 0 0 "[ . 1 . 2]" 1
544 1 58 LYS QG 1 68 VAL QG 4.500 . 4.800 2.139 2.035 2.345 . 0 0 "[ . 1 . 2]" 1
545 1 58 LYS QG 1 78 LEU QD 5.500 . 5.800 3.162 2.937 3.421 . 0 0 "[ . 1 . 2]" 1
546 1 59 ILE H 1 59 ILE QG 3.500 . 3.800 2.102 2.044 2.152 . 0 0 "[ . 1 . 2]" 1
547 1 59 ILE H 1 59 ILE MG 3.500 . 3.800 1.950 1.904 1.991 . 0 0 "[ . 1 . 2]" 1
548 1 59 ILE H 1 60 GLY H 3.500 . 3.800 2.373 2.303 2.482 . 0 0 "[ . 1 . 2]" 1
549 1 59 ILE H 1 60 GLY HA3 5.500 . 5.800 4.650 4.565 4.769 . 0 0 "[ . 1 . 2]" 1
550 1 59 ILE H 1 61 LEU H 4.500 . 4.800 4.298 4.058 4.394 . 0 0 "[ . 1 . 2]" 1
551 1 59 ILE H 1 65 GLU HA 5.500 . 5.800 5.419 5.312 5.562 . 0 0 "[ . 1 . 2]" 1
552 1 59 ILE H 1 68 VAL HB 5.500 . 5.800 5.662 5.373 5.769 . 0 0 "[ . 1 . 2]" 1
553 1 59 ILE H 1 68 VAL QG 5.000 . 5.300 3.592 3.451 3.717 . 0 0 "[ . 1 . 2]" 1
554 1 59 ILE HA 1 59 ILE MD 4.500 . 5.000 4.149 4.134 4.157 . 0 0 "[ . 1 . 2]" 1
555 1 59 ILE HA 1 62 ALA H 4.500 . 4.800 3.561 3.356 3.689 . 0 0 "[ . 1 . 2]" 1
556 1 59 ILE HA 1 62 ALA MB 5.500 . 5.800 3.123 2.899 3.412 . 0 0 "[ . 1 . 2]" 1
557 1 59 ILE HA 1 63 GLY H 4.500 . 4.800 3.111 3.056 3.163 . 0 0 "[ . 1 . 2]" 1
558 1 59 ILE HA 1 68 VAL MG1 4.500 . 4.800 2.070 2.024 2.108 . 0 0 "[ . 1 . 2]" 1
559 1 59 ILE HA 1 68 VAL QG 3.500 . 3.800 2.064 2.018 2.100 . 0 0 "[ . 1 . 2]" 1
560 1 59 ILE HA 1 68 VAL MG2 4.500 . 4.800 4.024 3.955 4.084 . 0 0 "[ . 1 . 2]" 1
561 1 59 ILE HB 1 63 GLY H 5.500 . 5.800 4.198 4.061 4.301 . 0 0 "[ . 1 . 2]" 1
562 1 59 ILE HB 1 63 GLY HA2 5.500 . 5.800 4.539 3.945 5.134 . 0 0 "[ . 1 . 2]" 1
563 1 59 ILE HB 1 65 GLU H 5.500 . 5.800 3.115 2.785 3.635 . 0 0 "[ . 1 . 2]" 1
564 1 59 ILE HB 1 68 VAL QG 4.500 . 4.800 3.346 3.213 3.412 . 0 0 "[ . 1 . 2]" 1
565 1 59 ILE MD 1 65 GLU QB 5.500 . 5.800 3.266 2.942 4.087 . 0 0 "[ . 1 . 2]" 1
566 1 59 ILE QG 1 65 GLU HA 5.500 . 5.800 5.256 5.168 5.305 . 0 0 "[ . 1 . 2]" 1
567 1 59 ILE MG 1 63 GLY H 5.500 . 5.800 4.933 4.876 4.973 . 0 0 "[ . 1 . 2]" 1
568 1 59 ILE MG 1 65 GLU H 4.500 . 4.800 3.389 2.943 3.869 . 0 0 "[ . 1 . 2]" 1
569 1 59 ILE MG 1 65 GLU HA 4.500 . 4.800 2.247 2.218 2.282 . 0 0 "[ . 1 . 2]" 1
570 1 59 ILE MG 1 65 GLU QB 4.500 . 4.800 2.273 2.091 2.945 . 0 0 "[ . 1 . 2]" 1
571 1 60 GLY H 1 61 LEU H 3.500 . 3.800 2.658 2.590 2.735 . 0 0 "[ . 1 . 2]" 1
572 1 60 GLY HA2 1 61 LEU H 4.500 . 4.800 3.545 3.427 3.568 . 0 0 "[ . 1 . 2]" 1
573 1 60 GLY HA2 1 61 LEU QD 5.500 . 5.800 3.919 3.823 3.986 . 0 0 "[ . 1 . 2]" 1
574 1 60 GLY HA3 1 61 LEU H 3.500 . 3.800 2.893 2.827 2.962 . 0 0 "[ . 1 . 2]" 1
575 1 60 GLY HA3 1 61 LEU QD 4.500 . 4.800 2.841 2.755 2.911 . 0 0 "[ . 1 . 2]" 1
576 1 61 LEU H 1 61 LEU HB2 3.500 . 3.800 2.542 2.497 2.724 . 0 0 "[ . 1 . 2]" 1
577 1 61 LEU H 1 61 LEU QD 3.500 . 3.800 1.757 1.666 2.395 0.134 1 0 "[ . 1 . 2]" 1
578 1 61 LEU H 1 61 LEU HG 4.500 . 4.800 3.694 1.764 3.852 0.036 18 0 "[ . 1 . 2]" 1
579 1 61 LEU H 1 62 ALA H 3.500 . 3.800 2.691 2.613 2.824 . 0 0 "[ . 1 . 2]" 1
580 1 61 LEU HA 1 61 LEU QD 3.500 . 3.800 2.035 2.021 2.145 . 0 0 "[ . 1 . 2]" 1
581 1 61 LEU HA 1 63 GLY H 5.500 . 5.800 4.442 4.168 4.537 . 0 0 "[ . 1 . 2]" 1
582 1 61 LEU HA 1 71 LEU QD 5.500 . 5.800 4.273 4.151 4.365 . 0 0 "[ . 1 . 2]" 1
583 1 61 LEU HB2 1 62 ALA H 3.500 . 3.800 2.316 2.115 2.393 . 0 0 "[ . 1 . 2]" 1
584 1 61 LEU HB2 1 71 LEU QD 5.500 . 5.800 2.153 2.034 2.319 . 0 0 "[ . 1 . 2]" 1
585 1 61 LEU HB3 1 71 LEU QD 5.500 . 5.800 2.758 2.581 2.903 . 0 0 "[ . 1 . 2]" 1
586 1 61 LEU QD 1 62 ALA H 4.500 . 4.800 3.366 3.276 3.745 . 0 0 "[ . 1 . 2]" 1
587 1 61 LEU QD 1 63 GLY H 5.500 . 6.000 4.483 4.438 4.661 . 0 0 "[ . 1 . 2]" 1
588 1 61 LEU HG 1 62 ALA H 4.500 . 4.800 4.734 3.622 4.844 0.044 9 0 "[ . 1 . 2]" 1
589 1 62 ALA H 1 64 SER H 5.500 . 5.800 4.484 3.992 5.008 . 0 0 "[ . 1 . 2]" 1
590 1 62 ALA H 1 68 VAL HA 5.500 . 5.800 4.863 4.563 5.038 . 0 0 "[ . 1 . 2]" 1
591 1 62 ALA H 1 71 LEU QB 5.500 . 5.800 4.434 4.201 5.002 . 0 0 "[ . 1 . 2]" 1
592 1 62 ALA MB 1 63 GLY H 3.500 . 3.800 2.685 2.558 2.935 . 0 0 "[ . 1 . 2]" 1
593 1 62 ALA MB 1 64 SER H 3.500 . 3.800 2.511 2.173 2.996 . 0 0 "[ . 1 . 2]" 1
594 1 62 ALA MB 1 67 ASP H 5.500 . 5.800 4.108 3.708 4.360 . 0 0 "[ . 1 . 2]" 1
595 1 62 ALA MB 1 67 ASP HB2 4.500 . 4.800 3.334 2.738 3.797 . 0 0 "[ . 1 . 2]" 1
596 1 62 ALA MB 1 67 ASP HB3 4.500 . 4.800 3.577 2.288 3.968 . 0 0 "[ . 1 . 2]" 1
597 1 62 ALA MB 1 68 VAL H 4.500 . 4.800 3.362 3.010 3.621 . 0 0 "[ . 1 . 2]" 1
598 1 62 ALA MB 1 68 VAL HA 3.500 . 3.800 2.559 2.135 2.813 . 0 0 "[ . 1 . 2]" 1
599 1 62 ALA MB 1 68 VAL HB 5.500 . 5.800 3.893 3.665 4.038 . 0 0 "[ . 1 . 2]" 1
600 1 62 ALA MB 1 68 VAL MG1 4.500 . 4.800 1.958 1.913 2.006 . 0 0 "[ . 1 . 2]" 1
601 1 62 ALA MB 1 68 VAL QG 4.500 . 4.800 1.953 1.907 1.999 . 0 0 "[ . 1 . 2]" 1
602 1 62 ALA MB 1 68 VAL MG2 5.500 . 5.800 3.900 3.696 4.055 . 0 0 "[ . 1 . 2]" 1
603 1 62 ALA MB 1 71 LEU MD1 4.500 . 4.800 2.748 1.876 2.948 . 0 0 "[ . 1 . 2]" 1
604 1 62 ALA MB 1 71 LEU QD 4.500 . 4.800 2.209 1.863 2.422 . 0 0 "[ . 1 . 2]" 1
605 1 62 ALA MB 1 71 LEU MD2 4.500 . 4.800 2.433 2.239 3.252 . 0 0 "[ . 1 . 2]" 1
606 1 63 GLY H 1 64 SER H 4.500 . 4.800 2.827 2.596 3.128 . 0 0 "[ . 1 . 2]" 1
607 1 63 GLY HA3 1 64 SER H 3.500 . 3.800 3.035 2.674 3.340 . 0 0 "[ . 1 . 2]" 1
608 1 64 SER H 1 64 SER QB 3.500 . 3.800 2.746 2.520 3.116 . 0 0 "[ . 1 . 2]" 1
609 1 64 SER H 1 65 GLU H 5.500 . 5.800 4.105 3.638 4.396 . 0 0 "[ . 1 . 2]" 1
610 1 64 SER H 1 67 ASP HB2 4.500 . 4.800 4.365 4.120 4.837 0.037 13 0 "[ . 1 . 2]" 1
611 1 64 SER H 1 67 ASP HB3 5.500 . 5.800 5.593 4.153 5.857 0.057 11 0 "[ . 1 . 2]" 1
612 1 64 SER HA 1 65 GLU H 3.500 . 3.800 2.180 2.097 2.274 . 0 0 "[ . 1 . 2]" 1
613 1 64 SER HA 1 66 GLU H 4.500 . 4.800 3.402 3.100 3.852 . 0 0 "[ . 1 . 2]" 1
614 1 64 SER HA 1 67 ASP H 5.500 . 5.800 4.757 4.105 5.554 . 0 0 "[ . 1 . 2]" 1
615 1 64 SER HA 1 68 VAL QG 5.500 . 5.800 4.227 4.139 4.295 . 0 0 "[ . 1 . 2]" 1
616 1 64 SER QB 1 65 GLU H 4.500 . 4.800 3.521 2.727 4.038 . 0 0 "[ . 1 . 2]" 1
617 1 64 SER QB 1 66 GLU H 4.500 . 4.800 2.904 2.310 3.669 . 0 0 "[ . 1 . 2]" 1
618 1 64 SER QB 1 67 ASP H 5.500 . 5.800 3.117 2.301 4.332 . 0 0 "[ . 1 . 2]" 1
619 1 65 GLU H 1 65 GLU QB 3.500 . 3.800 2.408 2.168 2.801 . 0 0 "[ . 1 . 2]" 1
620 1 65 GLU H 1 65 GLU QG 4.500 . 4.800 2.791 1.723 3.957 0.077 15 0 "[ . 1 . 2]" 1
621 1 65 GLU H 1 66 GLU H 3.500 . 3.800 2.838 2.718 3.102 . 0 0 "[ . 1 . 2]" 1
622 1 65 GLU H 1 68 VAL QG 4.500 . 4.800 3.647 3.490 3.743 . 0 0 "[ . 1 . 2]" 1
623 1 65 GLU H 1 68 VAL MG2 5.500 . 5.800 4.311 4.244 4.348 . 0 0 "[ . 1 . 2]" 1
624 1 65 GLU HA 1 68 VAL HB 5.500 . 5.800 4.271 4.151 4.408 . 0 0 "[ . 1 . 2]" 1
625 1 65 GLU HA 1 68 VAL QG 3.500 . 3.800 1.949 1.883 2.029 . 0 0 "[ . 1 . 2]" 1
626 1 65 GLU HA 1 68 VAL MG2 4.500 . 4.800 2.087 2.035 2.189 . 0 0 "[ . 1 . 2]" 1
627 1 65 GLU QB 1 68 VAL QG 5.500 . 5.800 3.121 2.835 3.374 . 0 0 "[ . 1 . 2]" 1
628 1 66 GLU H 1 66 GLU QB 3.500 . 3.800 2.397 2.295 2.503 . 0 0 "[ . 1 . 2]" 1
629 1 66 GLU H 1 67 ASP H 3.500 . 3.800 2.439 2.281 2.682 . 0 0 "[ . 1 . 2]" 1
630 1 66 GLU HA 1 68 VAL H 5.500 . 5.800 4.345 4.202 4.442 . 0 0 "[ . 1 . 2]" 1
631 1 66 GLU QB 1 67 ASP H 4.500 . 4.800 2.432 2.103 2.749 . 0 0 "[ . 1 . 2]" 1
632 1 66 GLU QG 1 67 ASP H 4.500 . 4.800 3.899 3.575 4.389 . 0 0 "[ . 1 . 2]" 1
633 1 67 ASP H 1 67 ASP HB2 3.500 . 3.800 2.315 2.255 2.382 . 0 0 "[ . 1 . 2]" 1
634 1 67 ASP H 1 68 VAL H 3.500 . 3.800 2.442 2.278 2.552 . 0 0 "[ . 1 . 2]" 1
635 1 67 ASP H 1 68 VAL MG1 5.500 . 5.800 3.821 3.659 3.992 . 0 0 "[ . 1 . 2]" 1
636 1 67 ASP H 1 68 VAL MG2 5.500 . 5.800 3.647 3.441 3.845 . 0 0 "[ . 1 . 2]" 1
637 1 67 ASP HA 1 68 VAL MG1 6.000 . 6.300 5.159 5.099 5.225 . 0 0 "[ . 1 . 2]" 1
638 1 67 ASP HA 1 68 VAL MG2 5.500 . 5.800 4.434 4.282 4.496 . 0 0 "[ . 1 . 2]" 1
639 1 67 ASP HA 1 69 ASP H 5.500 . 5.800 3.389 3.200 3.550 . 0 0 "[ . 1 . 2]" 1
640 1 67 ASP HB2 1 68 VAL H 4.500 . 4.800 3.474 3.194 4.094 . 0 0 "[ . 1 . 2]" 1
641 1 67 ASP HB3 1 68 VAL H 4.500 . 4.800 3.944 3.250 4.175 . 0 0 "[ . 1 . 2]" 1
642 1 68 VAL H 1 68 VAL MG1 3.500 . 3.800 2.234 2.155 2.313 . 0 0 "[ . 1 . 2]" 1
643 1 68 VAL H 1 68 VAL QG 3.500 . 3.800 1.771 1.724 1.818 0.076 15 0 "[ . 1 . 2]" 1
644 1 68 VAL H 1 68 VAL MG2 3.500 . 3.800 1.861 1.782 1.959 0.018 15 0 "[ . 1 . 2]" 1
645 1 68 VAL H 1 69 ASP H 3.500 . 3.800 2.769 2.649 2.849 . 0 0 "[ . 1 . 2]" 1
646 1 68 VAL H 1 69 ASP HA 5.500 . 5.800 5.318 5.170 5.400 . 0 0 "[ . 1 . 2]" 1
647 1 68 VAL H 1 69 ASP QB 5.500 . 5.800 4.705 4.490 5.120 . 0 0 "[ . 1 . 2]" 1
648 1 68 VAL H 1 71 LEU QB 5.500 . 5.800 4.705 4.548 4.899 . 0 0 "[ . 1 . 2]" 1
649 1 68 VAL HA 1 70 MET H 4.500 . 4.800 3.616 3.268 3.921 . 0 0 "[ . 1 . 2]" 1
650 1 68 VAL HA 1 71 LEU H 4.500 . 4.800 2.826 2.640 3.051 . 0 0 "[ . 1 . 2]" 1
651 1 68 VAL HA 1 71 LEU HB2 4.500 . 4.800 2.351 2.307 2.460 . 0 0 "[ . 1 . 2]" 1
652 1 68 VAL HA 1 71 LEU QB 4.500 . 4.800 2.264 2.181 2.385 . 0 0 "[ . 1 . 2]" 1
653 1 68 VAL HA 1 71 LEU HB3 4.500 . 4.800 3.039 2.635 4.018 . 0 0 "[ . 1 . 2]" 1
654 1 68 VAL HA 1 71 LEU MD1 5.500 . 5.800 3.988 2.341 4.215 . 0 0 "[ . 1 . 2]" 1
655 1 68 VAL HA 1 71 LEU QD 4.500 . 4.800 3.234 2.333 3.470 . 0 0 "[ . 1 . 2]" 1
656 1 68 VAL HA 1 71 LEU MD2 5.500 . 5.800 3.577 3.245 4.474 . 0 0 "[ . 1 . 2]" 1
657 1 68 VAL HA 1 71 LEU HG 5.500 . 5.800 4.891 2.987 5.320 . 0 0 "[ . 1 . 2]" 1
658 1 68 VAL HB 1 71 LEU QB 4.500 . 4.800 3.350 3.071 3.793 . 0 0 "[ . 1 . 2]" 1
659 1 68 VAL QG 1 69 ASP H 3.500 . 3.800 2.383 2.212 2.530 . 0 0 "[ . 1 . 2]" 1
660 1 68 VAL QG 1 69 ASP HA 5.500 . 5.800 3.389 3.290 3.492 . 0 0 "[ . 1 . 2]" 1
661 1 68 VAL QG 1 70 MET H 5.500 . 5.800 4.174 4.008 4.348 . 0 0 "[ . 1 . 2]" 1
662 1 69 ASP H 1 69 ASP HB2 3.500 . 3.800 2.671 2.301 3.590 . 0 0 "[ . 1 . 2]" 1
663 1 69 ASP H 1 69 ASP QB 3.500 . 3.800 2.375 2.199 2.723 . 0 0 "[ . 1 . 2]" 1
664 1 69 ASP H 1 69 ASP HB3 3.500 . 3.800 2.940 2.441 3.585 . 0 0 "[ . 1 . 2]" 1
665 1 69 ASP H 1 70 MET H 3.500 . 3.800 2.719 2.574 2.812 . 0 0 "[ . 1 . 2]" 1
666 1 70 MET H 1 70 MET HB2 3.500 . 3.800 2.810 2.408 3.666 . 0 0 "[ . 1 . 2]" 1
667 1 70 MET H 1 70 MET HG2 4.500 . 4.800 3.055 1.989 3.994 . 0 0 "[ . 1 . 2]" 1
668 1 70 MET H 1 70 MET QG 3.500 . 3.800 2.330 1.874 2.812 . 0 0 "[ . 1 . 2]" 1
669 1 70 MET H 1 70 MET HG3 4.500 . 4.800 2.811 1.933 3.981 . 0 0 "[ . 1 . 2]" 1
670 1 70 MET H 1 71 LEU H 3.500 . 3.800 2.220 2.056 2.371 . 0 0 "[ . 1 . 2]" 1
671 1 70 MET H 1 71 LEU HA 5.500 . 5.800 4.810 4.546 4.975 . 0 0 "[ . 1 . 2]" 1
672 1 70 MET H 1 71 LEU QB 4.500 . 4.800 3.976 3.771 4.147 . 0 0 "[ . 1 . 2]" 1
673 1 70 MET HA 1 70 MET QG 3.500 . 3.800 2.801 2.296 3.441 . 0 0 "[ . 1 . 2]" 1
674 1 70 MET HA 1 71 LEU H 3.500 . 3.800 3.478 3.359 3.532 . 0 0 "[ . 1 . 2]" 1
675 1 70 MET HB2 1 71 LEU H 4.500 . 4.800 3.229 2.717 4.260 . 0 0 "[ . 1 . 2]" 1
676 1 70 MET HB3 1 71 LEU H 4.500 . 4.800 3.991 3.701 4.388 . 0 0 "[ . 1 . 2]" 1
677 1 70 MET QG 1 71 LEU H 4.500 . 4.800 3.574 1.958 4.232 . 0 0 "[ . 1 . 2]" 1
678 1 70 MET HG2 1 71 LEU H 5.500 . 5.800 4.445 3.496 5.220 . 0 0 "[ . 1 . 2]" 1
679 1 70 MET HG3 1 71 LEU H 5.500 . 5.800 4.007 1.966 5.374 . 0 0 "[ . 1 . 2]" 1
680 1 71 LEU H 1 71 LEU HB2 3.500 . 3.800 2.353 2.088 2.548 . 0 0 "[ . 1 . 2]" 1
681 1 71 LEU H 1 71 LEU QB 3.500 . 3.800 2.210 2.070 2.258 . 0 0 "[ . 1 . 2]" 1
682 1 71 LEU H 1 71 LEU HB3 3.500 . 3.800 2.758 2.521 3.375 . 0 0 "[ . 1 . 2]" 1
683 1 71 LEU H 1 71 LEU QD 4.500 . 4.800 3.603 3.489 3.682 . 0 0 "[ . 1 . 2]" 1
684 1 71 LEU H 1 72 ASP H 5.500 . 5.800 4.455 3.355 4.661 . 0 0 "[ . 1 . 2]" 1
685 1 71 LEU H 1 73 THR H 5.500 . 5.800 5.238 5.013 5.661 . 0 0 "[ . 1 . 2]" 1
686 1 71 LEU HA 1 71 LEU QD 3.500 . 3.800 2.151 2.075 2.208 . 0 0 "[ . 1 . 2]" 1
687 1 71 LEU HA 1 72 ASP H 3.500 . 3.800 2.226 2.131 3.510 . 0 0 "[ . 1 . 2]" 1
688 1 71 LEU QB 1 72 ASP H 4.500 . 4.800 3.653 1.839 3.904 . 0 0 "[ . 1 . 2]" 1
689 1 71 LEU QD 1 72 ASP H 4.500 . 4.800 2.692 1.831 3.286 . 0 0 "[ . 1 . 2]" 1
690 1 71 LEU QD 1 73 THR H 4.500 . 4.800 2.847 1.899 3.108 . 0 0 "[ . 1 . 2]" 1
691 1 71 LEU QD 1 73 THR HB 4.500 . 4.800 2.354 2.204 2.720 . 0 0 "[ . 1 . 2]" 1
692 1 71 LEU QD 1 73 THR MG 5.500 . 5.800 3.146 2.977 3.522 . 0 0 "[ . 1 . 2]" 1
693 1 71 LEU MD1 1 72 ASP H 5.500 . 5.800 2.970 2.379 4.580 . 0 0 "[ . 1 . 2]" 1
694 1 71 LEU MD2 1 72 ASP H 5.500 . 5.800 4.239 1.834 4.768 . 0 0 "[ . 1 . 2]" 1
695 1 71 LEU HG 1 73 THR H 4.500 . 4.800 2.127 1.752 4.738 0.048 5 0 "[ . 1 . 2]" 1
696 1 72 ASP H 1 72 ASP QB 3.500 . 3.800 2.482 2.191 3.164 . 0 0 "[ . 1 . 2]" 1
697 1 72 ASP H 1 73 THR H 3.500 . 3.800 2.790 1.916 2.990 . 0 0 "[ . 1 . 2]" 1
698 1 72 ASP H 1 73 THR HB 5.500 . 5.800 5.253 3.966 5.575 . 0 0 "[ . 1 . 2]" 1
699 1 72 ASP QB 1 73 THR H 4.500 . 4.800 3.071 2.566 3.608 . 0 0 "[ . 1 . 2]" 1
700 1 73 THR H 1 73 THR HB 3.500 . 3.800 2.730 2.462 2.923 . 0 0 "[ . 1 . 2]" 1
701 1 73 THR H 1 73 THR MG 4.500 . 4.800 3.708 3.632 3.746 . 0 0 "[ . 1 . 2]" 1
702 1 73 THR H 1 74 PRO HD2 5.500 . 5.800 5.023 4.941 5.156 . 0 0 "[ . 1 . 2]" 1
703 1 73 THR H 1 74 PRO HD3 5.500 . 5.800 4.523 4.232 4.921 . 0 0 "[ . 1 . 2]" 1
704 1 73 THR HA 1 73 THR MG 3.500 . 3.800 2.255 2.218 2.346 . 0 0 "[ . 1 . 2]" 1
705 1 73 THR HA 1 74 PRO HD2 3.500 . 3.800 2.353 2.232 2.526 . 0 0 "[ . 1 . 2]" 1
706 1 73 THR HA 1 74 PRO HD3 3.500 . 3.800 2.353 2.248 2.512 . 0 0 "[ . 1 . 2]" 1
707 1 73 THR HA 1 74 PRO HG2 5.500 . 5.800 4.510 4.438 4.592 . 0 0 "[ . 1 . 2]" 1
708 1 73 THR HA 1 74 PRO HG3 5.500 . 5.800 4.501 4.438 4.581 . 0 0 "[ . 1 . 2]" 1
709 1 73 THR HA 1 77 ALA MB 4.500 . 4.800 3.531 3.222 3.918 . 0 0 "[ . 1 . 2]" 1
710 1 73 THR HB 1 77 ALA MB 5.500 . 5.800 4.708 4.505 4.772 . 0 0 "[ . 1 . 2]" 1
711 1 73 THR HB 1 78 LEU MD1 5.500 . 5.800 3.916 3.648 4.441 . 0 0 "[ . 1 . 2]" 1
712 1 73 THR HB 1 78 LEU QD 4.500 . 4.800 3.520 3.218 3.593 . 0 0 "[ . 1 . 2]" 1
713 1 73 THR HB 1 78 LEU MD2 5.500 . 5.800 4.069 3.579 4.358 . 0 0 "[ . 1 . 2]" 1
714 1 73 THR MG 1 74 PRO HD2 4.500 . 4.800 2.654 2.065 3.024 . 0 0 "[ . 1 . 2]" 1
715 1 73 THR MG 1 74 PRO HD3 5.500 . 5.800 3.691 3.303 3.854 . 0 0 "[ . 1 . 2]" 1
716 1 73 THR MG 1 77 ALA H 5.500 . 5.800 3.966 3.195 4.296 . 0 0 "[ . 1 . 2]" 1
717 1 73 THR MG 1 77 ALA MB 3.500 . 3.800 2.314 2.067 2.463 . 0 0 "[ . 1 . 2]" 1
718 1 73 THR MG 1 78 LEU H 4.500 . 4.800 3.688 3.364 3.850 . 0 0 "[ . 1 . 2]" 1
719 1 73 THR MG 1 78 LEU MD1 4.500 . 4.800 2.063 1.936 2.294 . 0 0 "[ . 1 . 2]" 1
720 1 73 THR MG 1 78 LEU QD 3.500 . 3.800 1.919 1.842 1.971 . 0 0 "[ . 1 . 2]" 1
721 1 73 THR MG 1 78 LEU MD2 4.500 . 4.800 2.353 2.003 2.641 . 0 0 "[ . 1 . 2]" 1
722 1 73 THR MG 1 78 LEU HG 4.500 . 4.800 3.922 3.704 3.983 . 0 0 "[ . 1 . 2]" 1
723 1 74 PRO HA 1 75 MET H 3.500 . 3.800 3.019 2.652 3.511 . 0 0 "[ . 1 . 2]" 1
724 1 74 PRO HA 1 77 ALA H 5.500 . 5.800 5.182 4.705 5.800 . 0 0 "[ . 1 . 2]" 1
725 1 74 PRO HB2 1 75 MET H 4.500 . 4.800 2.407 1.745 4.337 0.055 4 0 "[ . 1 . 2]" 1
726 1 74 PRO HB2 1 75 MET HA 5.500 . 5.800 4.625 4.217 5.765 . 0 0 "[ . 1 . 2]" 1
727 1 74 PRO HB2 1 76 SER H 4.500 . 4.800 2.548 1.950 3.056 . 0 0 "[ . 1 . 2]" 1
728 1 74 PRO HB2 1 77 ALA H 4.500 . 4.800 3.359 2.123 4.464 . 0 0 "[ . 1 . 2]" 1
729 1 74 PRO HD2 1 77 ALA MB 4.500 . 4.800 2.122 2.041 2.240 . 0 0 "[ . 1 . 2]" 1
730 1 74 PRO HG2 1 77 ALA H 3.500 . 3.800 2.803 1.900 3.829 0.029 19 0 "[ . 1 . 2]" 1
731 1 74 PRO HG2 1 77 ALA MB 3.500 . 3.800 2.687 2.077 3.072 . 0 0 "[ . 1 . 2]" 1
732 1 75 MET H 1 75 MET QB 3.500 . 3.800 2.747 2.404 3.262 . 0 0 "[ . 1 . 2]" 1
733 1 75 MET H 1 75 MET ME 5.500 . 5.800 4.504 3.898 4.750 . 0 0 "[ . 1 . 2]" 1
734 1 75 MET H 1 75 MET HG2 5.500 . 5.800 3.678 1.916 4.983 . 0 0 "[ . 1 . 2]" 1
735 1 75 MET H 1 75 MET HG3 5.500 . 5.800 4.167 3.276 4.801 . 0 0 "[ . 1 . 2]" 1
736 1 75 MET H 1 76 SER H 3.500 . 3.700 2.059 1.630 2.956 0.170 5 0 "[ . 1 . 2]" 1
737 1 75 MET H 1 76 SER HA 5.500 . 5.800 4.723 4.379 5.474 . 0 0 "[ . 1 . 2]" 1
738 1 75 MET H 1 76 SER QB 5.500 . 5.800 4.044 3.472 4.897 . 0 0 "[ . 1 . 2]" 1
739 1 75 MET H 1 77 ALA H 4.500 . 4.800 3.393 2.494 3.778 . 0 0 "[ . 1 . 2]" 1
740 1 75 MET H 1 77 ALA MB 5.500 . 5.800 4.290 3.504 4.778 . 0 0 "[ . 1 . 2]" 1
741 1 75 MET H 1 78 LEU H 5.500 . 5.800 4.925 4.188 5.332 . 0 0 "[ . 1 . 2]" 1
742 1 75 MET H 1 78 LEU QD 5.500 . 5.800 3.606 2.964 3.897 . 0 0 "[ . 1 . 2]" 1
743 1 75 MET HA 1 78 LEU H 4.500 . 4.800 3.927 3.830 4.039 . 0 0 "[ . 1 . 2]" 1
744 1 75 MET HA 1 78 LEU HB2 4.500 . 4.800 4.440 4.324 4.522 . 0 0 "[ . 1 . 2]" 1
745 1 75 MET HA 1 78 LEU QD 3.500 . 3.800 2.039 2.017 2.097 . 0 0 "[ . 1 . 2]" 1
746 1 75 MET HA 1 78 LEU HG 5.500 . 5.800 4.318 4.077 4.598 . 0 0 "[ . 1 . 2]" 1
747 1 75 MET HA 1 79 LYS H 5.500 . 5.800 5.230 5.097 5.377 . 0 0 "[ . 1 . 2]" 1
748 1 75 MET QB 1 76 SER H 3.500 . 3.800 3.427 3.177 3.657 . 0 0 "[ . 1 . 2]" 1
749 1 75 MET QB 1 79 LYS QE 4.500 . 4.800 3.699 3.502 3.944 . 0 0 "[ . 1 . 2]" 1
750 1 75 MET HB2 1 76 SER H 4.500 . 4.800 4.137 4.000 4.334 . 0 0 "[ . 1 . 2]" 1
751 1 75 MET HB3 1 76 SER H 4.500 . 4.800 3.688 3.310 4.087 . 0 0 "[ . 1 . 2]" 1
752 1 75 MET QG 1 78 LEU H 5.500 . 5.800 5.167 4.897 5.347 . 0 0 "[ . 1 . 2]" 1
753 1 75 MET QG 1 79 LYS QE 4.500 . 4.800 2.833 2.238 3.627 . 0 0 "[ . 1 . 2]" 1
754 1 75 MET HG2 1 76 SER H 5.500 . 5.800 3.738 2.220 4.791 . 0 0 "[ . 1 . 2]" 1
755 1 75 MET HG2 1 79 LYS HE2 5.500 . 5.800 3.840 2.342 5.838 0.038 14 0 "[ . 1 . 2]" 1
756 1 75 MET HG2 1 79 LYS HE3 5.500 . 5.800 4.003 2.629 5.536 . 0 0 "[ . 1 . 2]" 1
757 1 75 MET HG3 1 76 SER H 5.500 . 5.800 4.358 2.822 5.417 . 0 0 "[ . 1 . 2]" 1
758 1 75 MET HG3 1 79 LYS HE2 5.500 . 5.800 4.027 2.675 4.451 . 0 0 "[ . 1 . 2]" 1
759 1 75 MET HG3 1 79 LYS HE3 5.500 . 5.800 4.367 3.557 5.264 . 0 0 "[ . 1 . 2]" 1
760 1 76 SER H 1 76 SER QB 3.500 . 3.800 2.429 2.242 2.690 . 0 0 "[ . 1 . 2]" 1
761 1 76 SER H 1 77 ALA H 3.500 . 3.800 2.125 1.987 2.290 . 0 0 "[ . 1 . 2]" 1
762 1 76 SER H 1 77 ALA MB 4.500 . 4.800 3.806 3.682 3.952 . 0 0 "[ . 1 . 2]" 1
763 1 76 SER H 1 78 LEU H 5.500 . 5.700 4.003 3.782 4.210 . 0 0 "[ . 1 . 2]" 1
764 1 76 SER H 1 78 LEU QD 5.500 . 5.800 3.506 3.237 3.821 . 0 0 "[ . 1 . 2]" 1
765 1 76 SER H 1 79 LYS HE2 5.500 . 5.800 5.569 5.359 5.809 0.009 15 0 "[ . 1 . 2]" 1
766 1 76 SER H 1 79 LYS HE3 5.500 . 5.800 5.149 4.640 5.587 . 0 0 "[ . 1 . 2]" 1
767 1 76 SER HA 1 78 LEU H 5.500 . 5.800 4.005 3.910 4.111 . 0 0 "[ . 1 . 2]" 1
768 1 76 SER HA 1 79 LYS H 4.500 . 4.800 3.372 3.204 3.619 . 0 0 "[ . 1 . 2]" 1
769 1 76 SER HA 1 79 LYS HB2 4.500 . 4.800 2.947 2.511 3.463 . 0 0 "[ . 1 . 2]" 1
770 1 76 SER HA 1 79 LYS QD 4.500 . 4.800 3.002 2.303 4.067 . 0 0 "[ . 1 . 2]" 1
771 1 76 SER HA 1 79 LYS HE3 5.500 . 5.800 3.077 2.335 3.627 . 0 0 "[ . 1 . 2]" 1
772 1 76 SER HA 1 80 ASP H 4.500 . 4.800 4.427 4.114 4.644 . 0 0 "[ . 1 . 2]" 1
773 1 76 SER QB 1 77 ALA H 4.500 . 4.800 3.054 2.840 3.705 . 0 0 "[ . 1 . 2]" 1
774 1 77 ALA H 1 78 LEU H 3.500 . 3.800 2.607 2.522 2.693 . 0 0 "[ . 1 . 2]" 1
775 1 77 ALA H 1 78 LEU HB2 5.500 . 5.800 5.067 4.931 5.228 . 0 0 "[ . 1 . 2]" 1
776 1 77 ALA H 1 78 LEU QD 4.500 . 4.800 2.869 2.694 3.053 . 0 0 "[ . 1 . 2]" 1
777 1 77 ALA H 1 79 LYS H 4.500 . 4.800 4.339 4.177 4.567 . 0 0 "[ . 1 . 2]" 1
778 1 77 ALA H 1 80 ASP H 5.500 . 5.800 4.720 4.583 4.821 . 0 0 "[ . 1 . 2]" 1
779 1 77 ALA HA 1 80 ASP HB2 4.500 . 4.800 2.323 2.266 2.406 . 0 0 "[ . 1 . 2]" 1
780 1 77 ALA HA 1 80 ASP QB 3.500 . 3.800 2.304 2.247 2.386 . 0 0 "[ . 1 . 2]" 1
781 1 77 ALA HA 1 80 ASP HB3 4.500 . 4.800 3.841 3.674 3.962 . 0 0 "[ . 1 . 2]" 1
782 1 77 ALA HA 1 81 ALA MB 5.500 . 5.800 4.712 4.637 4.746 . 0 0 "[ . 1 . 2]" 1
783 1 77 ALA MB 1 78 LEU HA 4.500 . 4.800 3.853 3.817 3.901 . 0 0 "[ . 1 . 2]" 1
784 1 77 ALA MB 1 80 ASP QB 4.500 . 5.000 3.614 3.563 3.660 . 0 0 "[ . 1 . 2]" 1
785 1 78 LEU H 1 78 LEU HB2 3.500 . 3.800 2.691 2.639 2.756 . 0 0 "[ . 1 . 2]" 1
786 1 78 LEU H 1 78 LEU MD1 4.500 . 4.800 2.596 2.421 2.855 . 0 0 "[ . 1 . 2]" 1
787 1 78 LEU H 1 78 LEU QD 3.500 . 3.800 1.629 1.585 1.677 0.215 4 0 "[ . 1 . 2]" 1
788 1 78 LEU H 1 78 LEU MD2 4.500 . 4.800 1.648 1.597 1.710 0.203 4 0 "[ . 1 . 2]" 1
789 1 78 LEU H 1 79 LYS H 3.500 . 3.800 2.649 2.607 2.713 . 0 0 "[ . 1 . 2]" 1
790 1 78 LEU H 1 79 LYS HA 5.500 . 5.800 5.255 5.231 5.289 . 0 0 "[ . 1 . 2]" 1
791 1 78 LEU H 1 80 ASP H 4.500 . 4.800 3.785 3.583 3.914 . 0 0 "[ . 1 . 2]" 1
792 1 78 LEU HA 1 81 ALA MB 4.500 . 4.800 2.742 2.428 3.087 . 0 0 "[ . 1 . 2]" 1
793 1 78 LEU HB2 1 79 LYS H 3.500 . 3.800 2.327 2.042 2.494 . 0 0 "[ . 1 . 2]" 1
794 1 78 LEU HB3 1 79 LYS H 3.500 . 3.800 3.573 3.319 3.737 . 0 0 "[ . 1 . 2]" 1
795 1 78 LEU HB3 1 80 ASP H 5.500 . 5.800 5.261 4.872 5.482 . 0 0 "[ . 1 . 2]" 1
796 1 79 LYS H 1 79 LYS HB2 3.500 . 3.800 2.468 2.156 2.954 . 0 0 "[ . 1 . 2]" 1
797 1 79 LYS H 1 79 LYS HE2 5.500 . 5.800 3.890 3.565 4.165 . 0 0 "[ . 1 . 2]" 1
798 1 79 LYS H 1 79 LYS QE 5.500 . 5.800 3.478 2.871 3.838 . 0 0 "[ . 1 . 2]" 1
799 1 79 LYS H 1 79 LYS HE3 5.500 . 5.800 3.984 2.987 4.706 . 0 0 "[ . 1 . 2]" 1
800 1 79 LYS H 1 79 LYS QG 4.500 . 4.800 2.998 1.748 3.592 0.052 9 0 "[ . 1 . 2]" 1
801 1 79 LYS H 1 80 ASP H 3.500 . 3.800 2.670 2.613 2.786 . 0 0 "[ . 1 . 2]" 1
802 1 79 LYS HA 1 79 LYS QD 4.500 . 4.800 2.901 2.489 3.753 . 0 0 "[ . 1 . 2]" 1
803 1 79 LYS HA 1 81 ALA H 5.500 . 5.800 4.931 4.628 5.062 . 0 0 "[ . 1 . 2]" 1
804 1 79 LYS HA 1 82 VAL H 4.500 . 4.800 4.266 3.943 4.415 . 0 0 "[ . 1 . 2]" 1
805 1 79 LYS HA 1 82 VAL HB 4.500 . 4.800 3.686 3.317 3.855 . 0 0 "[ . 1 . 2]" 1
806 1 79 LYS HA 1 82 VAL MG1 4.500 . 4.800 2.113 2.069 2.191 . 0 0 "[ . 1 . 2]" 1
807 1 79 LYS HA 1 82 VAL MG2 5.500 . 5.800 4.334 4.164 4.400 . 0 0 "[ . 1 . 2]" 1
808 1 79 LYS HB2 1 80 ASP H 3.500 . 3.800 2.953 2.665 3.471 . 0 0 "[ . 1 . 2]" 1
809 1 80 ASP H 1 80 ASP QB 3.500 . 3.800 2.241 2.179 2.321 . 0 0 "[ . 1 . 2]" 1
810 1 80 ASP H 1 81 ALA H 3.500 . 3.800 2.662 2.321 2.791 . 0 0 "[ . 1 . 2]" 1
811 1 80 ASP H 1 82 VAL MG1 5.500 . 5.800 4.113 4.012 4.212 . 0 0 "[ . 1 . 2]" 1
812 1 80 ASP HA 1 82 VAL H 5.500 . 5.800 5.264 5.132 5.352 . 0 0 "[ . 1 . 2]" 1
813 1 80 ASP HA 1 83 ARG H 4.500 . 4.800 4.215 4.085 4.304 . 0 0 "[ . 1 . 2]" 1
814 1 80 ASP HA 1 83 ARG QB 4.500 . 4.800 3.452 3.238 3.638 . 0 0 "[ . 1 . 2]" 1
815 1 80 ASP HA 1 83 ARG QD 5.500 . 5.800 4.519 4.161 4.963 . 0 0 "[ . 1 . 2]" 1
816 1 80 ASP HA 1 84 ILE H 5.500 . 5.800 4.912 4.658 5.144 . 0 0 "[ . 1 . 2]" 1
817 1 80 ASP QB 1 81 ALA MB 5.500 . 5.800 3.629 3.579 3.671 . 0 0 "[ . 1 . 2]" 1
818 1 80 ASP QB 1 82 VAL H 5.500 . 5.800 4.831 4.759 4.883 . 0 0 "[ . 1 . 2]" 1
819 1 80 ASP QB 1 83 ARG H 5.500 . 5.800 5.037 4.959 5.114 . 0 0 "[ . 1 . 2]" 1
820 1 80 ASP HB2 1 81 ALA H 3.500 . 3.800 2.387 2.294 2.518 . 0 0 "[ . 1 . 2]" 1
821 1 80 ASP HB2 1 82 VAL H 5.500 . 5.800 5.177 5.064 5.251 . 0 0 "[ . 1 . 2]" 1
822 1 80 ASP HB3 1 81 ALA H 3.500 . 3.800 3.089 2.959 3.312 . 0 0 "[ . 1 . 2]" 1
823 1 81 ALA H 1 82 VAL H 3.500 . 3.800 2.924 2.773 3.016 . 0 0 "[ . 1 . 2]" 1
824 1 81 ALA H 1 82 VAL HA 5.500 . 5.800 5.433 5.311 5.505 . 0 0 "[ . 1 . 2]" 1
825 1 81 ALA H 1 83 ARG H 4.500 . 4.800 4.060 3.998 4.125 . 0 0 "[ . 1 . 2]" 1
826 1 81 ALA HA 1 83 ARG H 5.500 . 5.800 3.705 3.634 3.782 . 0 0 "[ . 1 . 2]" 1
827 1 81 ALA HA 1 84 ILE H 4.500 . 4.800 3.255 3.094 3.451 . 0 0 "[ . 1 . 2]" 1
828 1 81 ALA HA 1 84 ILE HB 4.500 . 4.800 2.676 2.401 2.937 . 0 0 "[ . 1 . 2]" 1
829 1 81 ALA HA 1 84 ILE MD 3.500 . 3.800 2.592 2.351 2.784 . 0 0 "[ . 1 . 2]" 1
830 1 81 ALA MB 1 82 VAL H 3.500 . 3.800 2.172 2.000 2.301 . 0 0 "[ . 1 . 2]" 1
831 1 81 ALA MB 1 83 ARG H 4.500 . 4.800 4.046 4.008 4.071 . 0 0 "[ . 1 . 2]" 1
832 1 82 VAL H 1 82 VAL HB 3.500 . 3.800 2.233 2.167 2.269 . 0 0 "[ . 1 . 2]" 1
833 1 82 VAL H 1 82 VAL MG1 3.500 . 3.800 2.780 2.727 2.840 . 0 0 "[ . 1 . 2]" 1
834 1 82 VAL H 1 82 VAL MG2 4.500 . 4.800 3.639 3.586 3.677 . 0 0 "[ . 1 . 2]" 1
835 1 82 VAL H 1 83 ARG H 3.500 . 3.800 2.947 2.909 2.997 . 0 0 "[ . 1 . 2]" 1
836 1 82 VAL H 1 84 ILE H 5.500 . 5.800 4.786 4.606 4.964 . 0 0 "[ . 1 . 2]" 1
837 1 82 VAL H 1 85 LEU HG 5.500 . 5.800 5.898 5.871 5.915 0.115 3 0 "[ . 1 . 2]" 1
838 1 82 VAL HA 1 85 LEU H 4.500 . 4.800 3.906 3.832 4.025 . 0 0 "[ . 1 . 2]" 1
839 1 82 VAL HA 1 85 LEU QB 5.500 . 5.800 4.096 3.890 4.341 . 0 0 "[ . 1 . 2]" 1
840 1 82 VAL HA 1 85 LEU HG 5.500 . 5.800 4.379 4.308 4.426 . 0 0 "[ . 1 . 2]" 1
841 1 82 VAL HA 1 86 TRP H 4.500 . 4.800 4.185 4.086 4.346 . 0 0 "[ . 1 . 2]" 1
842 1 82 VAL HB 1 83 ARG H 4.500 . 4.800 3.874 3.788 3.931 . 0 0 "[ . 1 . 2]" 1
843 1 82 VAL HB 1 85 LEU HG 6.000 . 6.500 6.710 6.684 6.736 0.236 17 0 "[ . 1 . 2]" 1
844 1 82 VAL MG1 1 83 ARG H 4.500 . 4.800 2.244 2.145 2.324 . 0 0 "[ . 1 . 2]" 1
845 1 82 VAL MG1 1 85 LEU H 6.000 . 6.300 5.199 5.157 5.217 . 0 0 "[ . 1 . 2]" 1
846 1 82 VAL MG1 1 86 TRP H 5.500 . 5.800 4.858 4.819 4.886 . 0 0 "[ . 1 . 2]" 1
847 1 82 VAL MG2 1 83 ARG H 4.500 . 4.800 4.041 4.014 4.090 . 0 0 "[ . 1 . 2]" 1
848 1 82 VAL MG2 1 85 LEU H 6.000 . 6.300 5.090 5.040 5.158 . 0 0 "[ . 1 . 2]" 1
849 1 82 VAL MG2 1 86 TRP H 5.500 . 5.800 4.397 4.256 4.559 . 0 0 "[ . 1 . 2]" 1
850 1 83 ARG H 1 83 ARG QB 3.500 . 3.800 2.288 2.258 2.312 . 0 0 "[ . 1 . 2]" 1
851 1 83 ARG H 1 83 ARG QD 5.500 . 5.800 4.687 4.623 4.758 . 0 0 "[ . 1 . 2]" 1
852 1 83 ARG H 1 84 ILE H 3.500 . 3.800 2.580 2.461 2.733 . 0 0 "[ . 1 . 2]" 1
853 1 83 ARG H 1 85 LEU H 5.500 . 5.800 4.051 3.973 4.124 . 0 0 "[ . 1 . 2]" 1
854 1 83 ARG H 1 85 LEU MD1 5.500 . 5.800 4.662 4.582 4.735 . 0 0 "[ . 1 . 2]" 1
855 1 83 ARG H 1 86 TRP H 5.500 . 5.800 4.551 4.503 4.606 . 0 0 "[ . 1 . 2]" 1
856 1 83 ARG QB 1 89 ALA H 5.500 . 5.800 5.113 5.051 5.157 . 0 0 "[ . 1 . 2]" 1
857 1 83 ARG QD 1 84 ILE H 5.500 . 5.800 3.904 3.771 4.004 . 0 0 "[ . 1 . 2]" 1
858 1 83 ARG QD 1 88 GLU H 5.500 . 5.800 5.125 4.963 5.216 . 0 0 "[ . 1 . 2]" 1
859 1 83 ARG QD 1 89 ALA HA 5.500 . 5.800 2.855 2.583 3.072 . 0 0 "[ . 1 . 2]" 1
860 1 83 ARG HD2 1 89 ALA MB 5.500 . 5.800 4.505 4.164 4.797 . 0 0 "[ . 1 . 2]" 1
861 1 83 ARG HD3 1 89 ALA MB 5.500 . 5.800 4.854 4.747 4.891 . 0 0 "[ . 1 . 2]" 1
862 1 83 ARG QG 1 84 ILE H 4.500 . 4.800 3.501 3.320 3.680 . 0 0 "[ . 1 . 2]" 1
863 1 83 ARG QG 1 88 GLU H 4.500 . 4.800 3.562 3.407 3.693 . 0 0 "[ . 1 . 2]" 1
864 1 83 ARG QG 1 89 ALA HA 5.500 . 5.800 2.895 2.601 3.095 . 0 0 "[ . 1 . 2]" 1
865 1 84 ILE H 1 84 ILE HB 3.500 . 3.800 2.375 2.346 2.409 . 0 0 "[ . 1 . 2]" 1
866 1 84 ILE H 1 84 ILE MD 4.500 . 4.800 3.425 3.340 3.496 . 0 0 "[ . 1 . 2]" 1
867 1 84 ILE H 1 84 ILE QG 3.500 . 3.800 2.279 2.224 2.331 . 0 0 "[ . 1 . 2]" 1
868 1 84 ILE H 1 84 ILE MG 4.500 . 4.800 3.723 3.708 3.737 . 0 0 "[ . 1 . 2]" 1
869 1 84 ILE H 1 85 LEU H 4.500 . 4.800 3.052 3.015 3.107 . 0 0 "[ . 1 . 2]" 1
870 1 84 ILE H 1 85 LEU MD2 4.500 . 4.800 3.667 3.633 3.708 . 0 0 "[ . 1 . 2]" 1
871 1 84 ILE H 1 86 TRP H 4.500 . 4.800 4.237 4.174 4.276 . 0 0 "[ . 1 . 2]" 1
872 1 84 ILE H 1 89 ALA MB 5.000 . 5.300 4.295 4.253 4.326 . 0 0 "[ . 1 . 2]" 1
873 1 84 ILE HA 1 84 ILE MD 4.500 . 4.800 3.763 3.750 3.768 . 0 0 "[ . 1 . 2]" 1
874 1 84 ILE HA 1 88 GLU H 4.500 . 4.800 4.178 3.929 4.310 . 0 0 "[ . 1 . 2]" 1
875 1 84 ILE HA 1 89 ALA H 4.500 . 4.800 3.067 2.962 3.145 . 0 0 "[ . 1 . 2]" 1
876 1 84 ILE HA 1 89 ALA MB 4.500 . 4.800 2.157 2.105 2.194 . 0 0 "[ . 1 . 2]" 1
877 1 84 ILE HB 1 84 ILE MD 3.500 . 3.800 2.319 2.287 2.359 . 0 0 "[ . 1 . 2]" 1
878 1 84 ILE HB 1 89 ALA MB 5.500 . 5.800 4.367 4.311 4.423 . 0 0 "[ . 1 . 2]" 1
879 1 84 ILE MD 1 84 ILE MG 3.500 . 3.800 1.828 1.796 1.900 0.004 17 0 "[ . 1 . 2]" 1
880 1 84 ILE MD 1 85 LEU H 5.500 . 5.800 4.705 4.657 4.758 . 0 0 "[ . 1 . 2]" 1
881 1 84 ILE MD 1 85 LEU MD1 5.500 . 5.800 3.653 3.628 3.699 . 0 0 "[ . 1 . 2]" 1
882 1 84 ILE MG 1 85 LEU H 4.500 . 4.800 3.151 3.084 3.244 . 0 0 "[ . 1 . 2]" 1
883 1 84 ILE MG 1 85 LEU HA 4.500 . 4.800 3.235 3.192 3.290 . 0 0 "[ . 1 . 2]" 1
884 1 84 ILE MG 1 86 TRP H 5.500 . 5.800 4.851 4.817 4.871 . 0 0 "[ . 1 . 2]" 1
885 1 84 ILE MG 1 89 ALA H 5.500 . 5.800 4.622 4.553 4.681 . 0 0 "[ . 1 . 2]" 1
886 1 84 ILE MG 1 89 ALA HA 5.500 . 5.800 4.609 4.409 4.742 . 0 0 "[ . 1 . 2]" 1
887 1 85 LEU H 1 85 LEU QB 3.500 . 3.800 2.960 2.903 3.042 . 0 0 "[ . 1 . 2]" 1
888 1 85 LEU H 1 85 LEU MD2 3.500 . 3.800 1.698 1.630 1.734 0.170 12 0 "[ . 1 . 2]" 1
889 1 85 LEU H 1 85 LEU HG 3.500 . 3.800 3.597 3.547 3.638 . 0 0 "[ . 1 . 2]" 1
890 1 85 LEU H 1 86 TRP H 3.500 . 3.800 2.428 2.336 2.497 . 0 0 "[ . 1 . 2]" 1
891 1 85 LEU HA 1 85 LEU MD2 4.500 . 4.800 3.621 3.582 3.646 . 0 0 "[ . 1 . 2]" 1
892 1 85 LEU HA 1 89 ALA H 5.500 . 5.800 5.853 5.814 5.889 0.089 16 0 "[ . 1 . 2]" 1
893 1 85 LEU QB 1 86 TRP H 3.500 . 3.800 2.934 2.812 3.173 . 0 0 "[ . 1 . 2]" 1
894 1 85 LEU QB 1 87 GLY H 5.500 . 5.800 4.334 4.195 4.532 . 0 0 "[ . 1 . 2]" 1
895 1 85 LEU MD2 1 86 TRP H 4.500 . 4.800 2.581 2.382 2.715 . 0 0 "[ . 1 . 2]" 1
896 1 85 LEU HG 1 86 TRP H 4.500 . 4.800 4.902 4.854 4.945 0.145 4 0 "[ . 1 . 2]" 1
897 1 86 TRP H 1 86 TRP QB 3.500 . 3.800 2.070 2.043 2.127 . 0 0 "[ . 1 . 2]" 1
898 1 86 TRP H 1 86 TRP HE3 4.500 . 4.800 2.576 2.373 2.793 . 0 0 "[ . 1 . 2]" 1
899 1 86 TRP H 1 87 GLY H 3.500 . 3.800 2.764 2.716 2.826 . 0 0 "[ . 1 . 2]" 1
900 1 86 TRP H 1 87 GLY QA 5.500 . 5.800 4.648 4.579 4.693 . 0 0 "[ . 1 . 2]" 1
901 1 86 TRP H 1 88 GLU H 4.500 . 4.800 4.019 3.686 4.123 . 0 0 "[ . 1 . 2]" 1
902 1 86 TRP HA 1 86 TRP HD1 4.500 . 4.800 4.189 4.079 4.329 . 0 0 "[ . 1 . 2]" 1
903 1 86 TRP HA 1 86 TRP HE1 5.500 . 5.800 5.207 5.128 5.313 . 0 0 "[ . 1 . 2]" 1
904 1 86 TRP HA 1 87 GLY QA 5.500 . 5.800 4.269 4.209 4.291 . 0 0 "[ . 1 . 2]" 1
905 1 86 TRP HA 1 88 GLU H 5.500 . 5.800 4.530 4.418 4.645 . 0 0 "[ . 1 . 2]" 1
906 1 86 TRP QB 1 86 TRP HE1 4.500 . 4.800 4.349 4.337 4.357 . 0 0 "[ . 1 . 2]" 1
907 1 86 TRP QB 1 87 GLY H 4.500 . 4.800 3.099 2.916 3.453 . 0 0 "[ . 1 . 2]" 1
908 1 86 TRP HB2 1 88 GLU H 4.500 . 4.800 3.482 3.339 3.619 . 0 0 "[ . 1 . 2]" 1
909 1 86 TRP HB3 1 88 GLU H 4.500 . 4.800 2.914 2.700 3.353 . 0 0 "[ . 1 . 2]" 1
910 1 86 TRP HD1 1 88 GLU H 5.500 . 5.800 5.251 4.979 5.817 0.017 19 0 "[ . 1 . 2]" 1
911 1 86 TRP HE3 1 87 GLY H 5.500 . 5.800 4.861 4.358 5.064 . 0 0 "[ . 1 . 2]" 1
912 1 87 GLY H 1 88 GLU HA 5.500 . 5.800 5.026 4.899 5.245 . 0 0 "[ . 1 . 2]" 1
913 1 87 GLY HA2 1 88 GLU H 3.500 . 3.800 3.102 3.041 3.151 . 0 0 "[ . 1 . 2]" 1
914 1 87 GLY HA3 1 88 GLU H 3.500 . 3.800 3.410 3.364 3.449 . 0 0 "[ . 1 . 2]" 1
915 1 88 GLU H 1 88 GLU HB2 3.500 . 3.800 2.552 2.363 2.754 . 0 0 "[ . 1 . 2]" 1
916 1 88 GLU H 1 88 GLU QB 3.500 . 3.800 2.435 2.334 2.531 . 0 0 "[ . 1 . 2]" 1
917 1 88 GLU H 1 88 GLU HB3 3.500 . 3.800 3.357 2.720 3.728 . 0 0 "[ . 1 . 2]" 1
918 1 88 GLU H 1 89 ALA MB 4.500 . 4.800 3.831 3.790 3.888 . 0 0 "[ . 1 . 2]" 1
919 1 88 GLU QB 1 89 ALA H 4.500 . 4.800 3.407 3.313 3.504 . 0 0 "[ . 1 . 2]" 1
920 1 88 GLU HB2 1 89 ALA H 4.500 . 4.800 3.804 3.457 4.262 . 0 0 "[ . 1 . 2]" 1
921 1 88 GLU HB3 1 89 ALA H 4.500 . 4.800 4.025 3.488 4.373 . 0 0 "[ . 1 . 2]" 1
922 1 89 ALA H 1 90 GLU H 3.500 . 3.800 3.081 2.939 3.277 . 0 0 "[ . 1 . 2]" 1
923 1 89 ALA H 1 90 GLU QG 5.500 . 5.800 4.308 3.905 5.172 . 0 0 "[ . 1 . 2]" 1
924 1 89 ALA MB 1 90 GLU H 3.500 . 3.800 2.606 1.970 2.912 . 0 0 "[ . 1 . 2]" 1
925 1 90 GLU H 1 90 GLU QB 3.500 . 3.800 2.544 2.366 2.719 . 0 0 "[ . 1 . 2]" 1
926 1 90 GLU H 1 90 GLU QG 3.500 . 3.800 1.984 1.790 2.857 0.010 17 0 "[ . 1 . 2]" 1
927 1 90 GLU H 1 91 VAL H 4.500 . 4.800 3.765 2.799 4.651 . 0 0 "[ . 1 . 2]" 1
928 1 90 GLU HB2 1 91 VAL H 4.500 . 4.800 3.128 1.876 4.481 . 0 0 "[ . 1 . 2]" 1
929 1 90 GLU HB3 1 91 VAL H 4.500 . 4.800 3.480 2.409 4.661 . 0 0 "[ . 1 . 2]" 1
930 1 90 GLU QG 1 91 VAL H 4.500 . 4.800 3.750 1.807 4.394 . 0 0 "[ . 1 . 2]" 1
931 1 91 VAL H 1 91 VAL MG1 4.500 . 4.800 2.913 1.800 3.761 . 2 0 "[ . 1 . 2]" 1
932 1 91 VAL H 1 91 VAL QG 3.500 . 3.800 1.926 1.729 2.294 0.071 2 0 "[ . 1 . 2]" 1
933 1 91 VAL H 1 91 VAL MG2 4.500 . 4.800 2.368 1.792 3.775 0.008 6 0 "[ . 1 . 2]" 1
934 1 91 VAL HA 1 91 VAL MG1 3.500 . 3.800 2.489 2.233 3.196 . 0 0 "[ . 1 . 2]" 1
935 1 91 VAL HA 1 91 VAL MG2 3.500 . 3.800 2.596 2.256 3.192 . 0 0 "[ . 1 . 2]" 1
936 1 91 VAL HA 1 92 ASP H 3.500 . 3.800 2.383 2.148 3.372 . 0 0 "[ . 1 . 2]" 1
937 1 91 VAL HB 1 92 ASP H 4.500 . 4.800 4.000 2.077 4.497 . 0 0 "[ . 1 . 2]" 1
938 1 91 VAL QG 1 92 ASP H 4.500 . 4.800 3.001 2.035 3.666 . 0 0 "[ . 1 . 2]" 1
939 1 91 VAL QG 1 92 ASP HA 5.500 . 5.800 3.935 3.692 4.146 . 0 0 "[ . 1 . 2]" 1
940 1 91 VAL MG1 1 92 ASP H 5.500 . 5.800 3.557 2.042 4.352 . 0 0 "[ . 1 . 2]" 1
941 1 91 VAL MG2 1 92 ASP H 5.500 . 5.800 3.642 2.250 4.319 . 0 0 "[ . 1 . 2]" 1
942 1 93 SER HA 1 94 LEU H 3.500 . 3.800 2.598 2.264 3.067 . 0 0 "[ . 1 . 2]" 1
943 1 93 SER HA 1 94 LEU MD1 5.500 . 5.800 4.588 2.720 4.733 . 0 0 "[ . 1 . 2]" 1
944 1 93 SER HA 1 94 LEU MD2 5.500 . 5.800 2.879 2.675 4.844 . 0 0 "[ . 1 . 2]" 1
945 1 93 SER QB 1 94 LEU H 3.500 . 3.800 2.369 1.768 3.386 0.032 9 0 "[ . 1 . 2]" 1
946 1 94 LEU H 1 94 LEU QB 3.500 . 3.800 2.295 2.185 2.311 . 0 0 "[ . 1 . 2]" 1
947 1 94 LEU H 1 94 LEU MD1 5.500 . 5.800 3.635 2.088 3.780 . 0 0 "[ . 1 . 2]" 1
948 1 94 LEU H 1 94 LEU QD 4.500 . 4.800 1.798 1.722 2.075 0.078 14 0 "[ . 1 . 2]" 1
949 1 94 LEU H 1 94 LEU MD2 5.500 . 5.800 1.879 1.725 3.612 0.075 14 0 "[ . 1 . 2]" 1
950 1 94 LEU HA 1 95 PRO HD2 4.500 . 4.800 2.501 2.456 2.536 . 0 0 "[ . 1 . 2]" 1
951 1 94 LEU HA 1 95 PRO QD 3.500 . 3.800 2.135 2.124 2.145 . 0 0 "[ . 1 . 2]" 1
952 1 94 LEU HA 1 95 PRO HD3 4.500 . 4.800 2.318 2.286 2.348 . 0 0 "[ . 1 . 2]" 1
953 1 94 LEU QB 1 95 PRO QD 4.500 . 4.800 2.284 2.241 2.341 . 0 0 "[ . 1 . 2]" 1
954 1 94 LEU QD 1 95 PRO QD 4.500 . 4.800 2.276 2.209 3.290 . 0 0 "[ . 1 . 2]" 1
955 1 94 LEU HG 1 95 PRO QD 5.500 . 5.800 4.092 2.863 4.198 . 0 0 "[ . 1 . 2]" 1
956 1 95 PRO HA 1 96 GLN H 3.500 . 3.800 2.938 2.165 3.575 . 0 0 "[ . 1 . 2]" 1
957 1 95 PRO QB 1 96 GLN H 4.500 . 4.800 2.964 1.843 4.016 . 0 0 "[ . 1 . 2]" 1
958 1 96 GLN H 1 96 GLN QB 3.500 . 3.800 2.547 2.209 2.799 . 0 0 "[ . 1 . 2]" 1
959 1 96 GLN H 1 96 GLN QG 4.500 . 4.800 2.324 1.730 4.051 0.070 15 0 "[ . 1 . 2]" 1
960 1 96 GLN H 1 97 PRO QD 5.500 . 5.800 4.291 1.888 4.447 . 0 0 "[ . 1 . 2]" 1
961 1 96 GLN HA 1 97 PRO HD2 4.500 . 4.800 2.543 2.330 4.037 . 0 0 "[ . 1 . 2]" 1
962 1 96 GLN HA 1 97 PRO HD3 4.500 . 4.800 2.403 2.303 3.789 . 0 0 "[ . 1 . 2]" 1
963 1 96 GLN QB 1 97 PRO QD 4.500 . 4.800 2.444 2.225 3.540 . 0 0 "[ . 1 . 2]" 1
964 1 97 PRO HA 1 98 VAL H 3.500 . 3.800 2.447 2.169 3.580 . 0 0 "[ . 1 . 2]" 1
965 1 97 PRO QB 1 98 VAL H 4.500 . 4.800 3.069 2.070 3.931 . 0 0 "[ . 1 . 2]" 1
966 1 97 PRO HB2 1 98 VAL H 4.500 . 4.800 3.380 2.092 4.281 . 0 0 "[ . 1 . 2]" 1
967 1 97 PRO HB3 1 98 VAL H 4.500 . 4.800 3.752 2.813 4.577 . 0 0 "[ . 1 . 2]" 1
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