NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
377578 |
1ga3   |
4843 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ga3
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 1014
_Distance_constraint_stats_list.Viol_count 2765
_Distance_constraint_stats_list.Viol_total 1153.315
_Distance_constraint_stats_list.Viol_max 0.190
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0209
_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 2 GLY 0.002 0.002 16 0 "[ . 1 . 2]"
1 3 PRO 0.133 0.037 17 0 "[ . 1 . 2]"
1 4 VAL 0.645 0.047 17 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.151 0.018 6 0 "[ . 1 . 2]"
1 9 ALA 0.152 0.018 6 0 "[ . 1 . 2]"
1 10 LEU 0.252 0.027 3 0 "[ . 1 . 2]"
1 11 ARG 0.082 0.009 10 0 "[ . 1 . 2]"
1 12 GLU 0.060 0.013 8 0 "[ . 1 . 2]"
1 13 LEU 1.379 0.055 8 0 "[ . 1 . 2]"
1 14 ILE 0.759 0.032 15 0 "[ . 1 . 2]"
1 15 GLU 0.122 0.009 18 0 "[ . 1 . 2]"
1 16 GLU 1.002 0.035 19 0 "[ . 1 . 2]"
1 17 LEU 1.829 0.070 7 0 "[ . 1 . 2]"
1 18 VAL 2.089 0.070 7 0 "[ . 1 . 2]"
1 19 ASN 0.361 0.029 19 0 "[ . 1 . 2]"
1 20 ILE 2.050 0.074 17 0 "[ . 1 . 2]"
1 21 THR 0.067 0.011 10 0 "[ . 1 . 2]"
1 22 GLN 0.198 0.035 9 0 "[ . 1 . 2]"
1 23 ASN 0.677 0.035 9 0 "[ . 1 . 2]"
1 24 GLN 0.664 0.055 14 0 "[ . 1 . 2]"
1 25 LYS 0.093 0.032 11 0 "[ . 1 . 2]"
1 26 ALA 0.451 0.034 11 0 "[ . 1 . 2]"
1 27 PRO 2.926 0.134 7 0 "[ . 1 . 2]"
1 28 LEU 0.379 0.035 11 0 "[ . 1 . 2]"
1 29 CYS 0.282 0.035 11 0 "[ . 1 . 2]"
1 30 ASN 0.212 0.038 4 0 "[ . 1 . 2]"
1 31 GLY 0.181 0.038 4 0 "[ . 1 . 2]"
1 32 SER 0.326 0.022 12 0 "[ . 1 . 2]"
1 33 MET 1.283 0.058 12 0 "[ . 1 . 2]"
1 34 VAL 1.065 0.047 17 0 "[ . 1 . 2]"
1 35 TRP 1.951 0.086 7 0 "[ . 1 . 2]"
1 36 SER 2.224 0.099 14 0 "[ . 1 . 2]"
1 37 ILE 3.894 0.178 14 0 "[ . 1 . 2]"
1 38 ASN 0.626 0.081 17 0 "[ . 1 . 2]"
1 39 LEU 1.735 0.066 11 0 "[ . 1 . 2]"
1 40 THR 1.455 0.057 7 0 "[ . 1 . 2]"
1 41 ALA 0.004 0.002 14 0 "[ . 1 . 2]"
1 42 GLY 0.236 0.031 14 0 "[ . 1 . 2]"
1 43 MET 0.687 0.031 14 0 "[ . 1 . 2]"
1 44 TYR 0.133 0.021 10 0 "[ . 1 . 2]"
1 45 CYS 0.101 0.012 8 0 "[ . 1 . 2]"
1 46 ALA 0.363 0.038 9 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 1.681 0.063 3 0 "[ . 1 . 2]"
1 49 GLU 1.329 0.063 3 0 "[ . 1 . 2]"
1 50 SER 0.185 0.019 7 0 "[ . 1 . 2]"
1 51 LEU 0.331 0.038 20 0 "[ . 1 . 2]"
1 52 ILE 0.115 0.010 16 0 "[ . 1 . 2]"
1 53 ASN 0.132 0.044 1 0 "[ . 1 . 2]"
1 54 VAL 0.188 0.014 11 0 "[ . 1 . 2]"
1 55 SER 0.019 0.004 1 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 CYS 0.922 0.044 9 0 "[ . 1 . 2]"
1 58 SER 0.294 0.025 10 0 "[ . 1 . 2]"
1 59 ALA 0.063 0.012 17 0 "[ . 1 . 2]"
1 60 ILE 1.398 0.068 14 0 "[ . 1 . 2]"
1 61 GLU 0.729 0.036 11 0 "[ . 1 . 2]"
1 62 LYS 0.474 0.036 11 0 "[ . 1 . 2]"
1 63 THR 0.401 0.018 7 0 "[ . 1 . 2]"
1 64 GLN 0.234 0.016 9 0 "[ . 1 . 2]"
1 65 ARG 1.201 0.065 13 0 "[ . 1 . 2]"
1 66 MET 0.679 0.044 13 0 "[ . 1 . 2]"
1 67 LEU 0.414 0.025 14 0 "[ . 1 . 2]"
1 68 SER 0.461 0.028 16 0 "[ . 1 . 2]"
1 69 GLY 1.206 0.047 16 0 "[ . 1 . 2]"
1 70 PHE 0.019 0.005 10 0 "[ . 1 . 2]"
1 71 CYS 0.105 0.012 8 0 "[ . 1 . 2]"
1 72 PRO 0.521 0.038 9 0 "[ . 1 . 2]"
1 73 HIS 0.249 0.037 5 0 "[ . 1 . 2]"
1 74 LYS 0.113 0.015 13 0 "[ . 1 . 2]"
1 75 VAL 0.723 0.043 9 0 "[ . 1 . 2]"
1 76 SER 8.819 0.190 20 0 "[ . 1 . 2]"
1 77 ALA 7.191 0.190 20 0 "[ . 1 . 2]"
1 78 GLY 0.321 0.033 19 0 "[ . 1 . 2]"
1 79 GLN 0.071 0.022 5 0 "[ . 1 . 2]"
1 80 PHE 0.108 0.037 15 0 "[ . 1 . 2]"
1 82 SER 0.149 0.040 8 0 "[ . 1 . 2]"
1 83 LEU 0.168 0.040 8 0 "[ . 1 . 2]"
1 84 HIS 0.157 0.035 6 0 "[ . 1 . 2]"
1 85 VAL 0.574 0.048 17 0 "[ . 1 . 2]"
1 86 ARG 0.103 0.027 20 0 "[ . 1 . 2]"
1 87 ASP 0.376 0.025 3 0 "[ . 1 . 2]"
1 88 THR 0.488 0.025 3 0 "[ . 1 . 2]"
1 89 LYS 0.235 0.031 10 0 "[ . 1 . 2]"
1 90 ILE 0.343 0.038 9 0 "[ . 1 . 2]"
1 91 GLU 0.232 0.044 18 0 "[ . 1 . 2]"
1 92 VAL 0.743 0.041 17 0 "[ . 1 . 2]"
1 93 ALA 0.003 0.002 18 0 "[ . 1 . 2]"
1 94 GLN 0.320 0.022 17 0 "[ . 1 . 2]"
1 95 PHE 1.144 0.038 9 0 "[ . 1 . 2]"
1 96 VAL 0.634 0.035 19 0 "[ . 1 . 2]"
1 97 LYS 0.783 0.051 12 0 "[ . 1 . 2]"
1 98 ASP 3.353 0.179 10 0 "[ . 1 . 2]"
1 99 LEU 3.604 0.179 10 0 "[ . 1 . 2]"
1 100 LEU 0.019 0.012 14 0 "[ . 1 . 2]"
1 101 LEU 2.212 0.099 12 0 "[ . 1 . 2]"
1 102 HIS 2.193 0.099 12 0 "[ . 1 . 2]"
1 103 LEU 0.838 0.060 12 0 "[ . 1 . 2]"
1 104 LYS 0.371 0.018 2 0 "[ . 1 . 2]"
1 105 LYS 0.919 0.041 9 0 "[ . 1 . 2]"
1 106 LEU 1.235 0.049 8 0 "[ . 1 . 2]"
1 107 PHE 1.590 0.055 8 0 "[ . 1 . 2]"
1 108 ARG 0.476 0.035 10 0 "[ . 1 . 2]"
1 109 GLU 0.086 0.022 13 0 "[ . 1 . 2]"
1 110 GLY 0.192 0.033 3 0 "[ . 1 . 2]"
1 111 ARG 1.753 0.066 3 0 "[ . 1 . 2]"
1 112 PHE 2.069 0.093 13 0 "[ . 1 . 2]"
1 113 ASN 0.725 0.032 13 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 2 GLY HA2 1 3 PRO HD2 3.500 . 3.500 3.021 2.727 3.502 0.002 16 0 "[ . 1 . 2]" 1
2 1 2 GLY HA2 1 3 PRO QD 3.500 . 3.500 2.241 1.950 2.813 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY HA3 1 3 PRO HD2 3.500 . 3.500 2.686 2.002 3.064 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO HA 1 4 VAL H 3.500 . 3.500 3.078 2.274 3.537 0.037 17 0 "[ . 1 . 2]" 1
5 1 3 PRO HB2 1 4 VAL H 3.500 . 3.500 2.795 1.970 3.500 . 0 0 "[ . 1 . 2]" 1
6 1 3 PRO HB3 1 4 VAL H 5.000 . 5.000 3.400 2.418 4.203 . 0 0 "[ . 1 . 2]" 1
7 1 3 PRO QD 1 4 VAL H 5.000 . 5.000 3.703 2.593 5.002 0.002 11 0 "[ . 1 . 2]" 1
8 1 4 VAL H 1 4 VAL HA 2.700 . 2.700 2.432 2.268 2.726 0.026 15 0 "[ . 1 . 2]" 1
9 1 4 VAL H 1 4 VAL HB 3.500 . 3.500 3.336 2.152 3.547 0.047 17 0 "[ . 1 . 2]" 1
10 1 4 VAL H 1 4 VAL MG2 3.500 . 3.500 2.408 1.945 3.525 0.025 19 0 "[ . 1 . 2]" 1
11 1 4 VAL HA 1 5 PRO HD2 3.500 . 3.500 2.145 1.988 2.503 . 0 0 "[ . 1 . 2]" 1
12 1 4 VAL HA 1 5 PRO HD3 3.500 . 3.500 2.597 2.255 3.155 . 0 0 "[ . 1 . 2]" 1
13 1 4 VAL MG1 1 5 PRO HD2 5.000 . 5.000 2.947 1.868 3.989 . 0 0 "[ . 1 . 2]" 1
14 1 4 VAL MG1 1 5 PRO HD3 5.000 . 5.000 4.007 3.187 4.663 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL MG2 1 5 PRO HD2 5.000 . 5.000 3.799 1.867 4.570 . 0 0 "[ . 1 . 2]" 1
16 1 5 PRO HA 1 6 PRO HD2 3.500 . 3.500 2.240 1.990 2.675 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO HA 1 6 PRO HD3 3.500 . 3.500 2.464 2.225 2.554 . 0 0 "[ . 1 . 2]" 1
18 1 6 PRO HA 1 7 SER H 3.500 . 3.500 2.420 2.164 2.679 . 0 0 "[ . 1 . 2]" 1
19 1 6 PRO HA 1 9 ALA H 5.000 . 5.000 4.144 3.411 4.935 . 0 0 "[ . 1 . 2]" 1
20 1 6 PRO HB2 1 7 SER H 5.000 . 5.000 3.743 1.983 4.348 . 0 0 "[ . 1 . 2]" 1
21 1 6 PRO HB2 1 9 ALA H 5.000 . 5.000 3.425 2.425 4.645 . 0 0 "[ . 1 . 2]" 1
22 1 6 PRO HB3 1 7 SER H 5.000 . 5.000 4.221 3.173 4.649 . 0 0 "[ . 1 . 2]" 1
23 1 6 PRO QG 1 7 SER H 5.000 . 5.000 4.475 3.667 4.755 . 0 0 "[ . 1 . 2]" 1
24 1 7 SER H 1 8 THR H 3.500 . 3.500 2.530 2.272 2.716 . 0 0 "[ . 1 . 2]" 1
25 1 7 SER HB2 1 8 THR H 5.000 . 5.000 3.478 2.466 4.144 . 0 0 "[ . 1 . 2]" 1
26 1 7 SER HB3 1 8 THR H 5.000 . 5.000 3.348 2.433 4.303 . 0 0 "[ . 1 . 2]" 1
27 1 8 THR H 1 8 THR HB 3.500 . 3.500 2.547 2.185 2.713 . 0 0 "[ . 1 . 2]" 1
28 1 8 THR H 1 9 ALA H 3.500 . 3.500 2.660 2.557 2.756 . 0 0 "[ . 1 . 2]" 1
29 1 8 THR H 1 9 ALA MB 5.000 . 5.000 4.309 4.195 4.399 . 0 0 "[ . 1 . 2]" 1
30 1 8 THR HA 1 9 ALA H 3.500 . 3.500 3.502 3.483 3.518 0.018 6 0 "[ . 1 . 2]" 1
31 1 8 THR HA 1 11 ARG HB3 3.500 . 3.500 3.405 2.886 3.505 0.005 9 0 "[ . 1 . 2]" 1
32 1 8 THR HB 1 9 ALA H 3.500 . 3.500 2.821 2.667 3.517 0.017 6 0 "[ . 1 . 2]" 1
33 1 8 THR MG 1 9 ALA H 5.000 . 5.000 3.626 1.925 3.939 . 0 0 "[ . 1 . 2]" 1
34 1 8 THR MG 1 12 GLU HB2 5.000 . 5.000 4.672 3.731 5.004 0.004 12 0 "[ . 1 . 2]" 1
35 1 8 THR MG 1 12 GLU HG3 5.000 . 5.000 3.744 2.370 4.731 . 0 0 "[ . 1 . 2]" 1
36 1 9 ALA H 1 9 ALA MB 3.500 . 3.500 2.198 2.098 2.259 . 0 0 "[ . 1 . 2]" 1
37 1 9 ALA H 1 10 LEU H 3.500 . 3.500 2.651 2.458 2.812 . 0 0 "[ . 1 . 2]" 1
38 1 9 ALA H 1 11 ARG H 5.000 . 5.000 4.439 4.191 4.595 . 0 0 "[ . 1 . 2]" 1
39 1 9 ALA HA 1 10 LEU H 5.000 . 5.000 3.487 3.461 3.531 . 0 0 "[ . 1 . 2]" 1
40 1 9 ALA HA 1 11 ARG H 5.000 . 5.000 4.601 4.177 4.890 . 0 0 "[ . 1 . 2]" 1
41 1 9 ALA HA 1 12 GLU H 5.000 . 5.000 3.609 3.419 3.914 . 0 0 "[ . 1 . 2]" 1
42 1 9 ALA MB 1 13 LEU H 5.000 . 5.000 4.979 4.824 5.011 0.011 5 0 "[ . 1 . 2]" 1
43 1 10 LEU H 1 10 LEU HB2 3.500 . 3.500 2.591 2.057 2.776 . 0 0 "[ . 1 . 2]" 1
44 1 10 LEU H 1 10 LEU HB3 3.500 . 3.500 2.470 2.287 3.271 . 0 0 "[ . 1 . 2]" 1
45 1 10 LEU H 1 10 LEU MD1 5.000 . 5.000 4.138 3.499 4.302 . 0 0 "[ . 1 . 2]" 1
46 1 10 LEU H 1 11 ARG H 3.500 . 3.500 2.649 2.618 2.696 . 0 0 "[ . 1 . 2]" 1
47 1 10 LEU H 1 12 GLU H 5.000 . 5.000 3.899 3.733 4.163 . 0 0 "[ . 1 . 2]" 1
48 1 10 LEU HA 1 11 ARG H 5.000 . 5.000 3.556 3.531 3.566 . 0 0 "[ . 1 . 2]" 1
49 1 10 LEU HA 1 13 LEU H 3.500 . 3.500 3.491 3.266 3.527 0.027 3 0 "[ . 1 . 2]" 1
50 1 10 LEU MD1 1 14 ILE MD 5.000 . 5.000 2.477 1.708 4.016 . 0 0 "[ . 1 . 2]" 1
51 1 10 LEU MD2 1 14 ILE MD 5.000 . 5.000 2.501 1.666 4.616 . 0 0 "[ . 1 . 2]" 1
52 1 10 LEU MD2 1 107 PHE QD 5.000 . 5.000 3.701 1.926 4.758 . 0 0 "[ . 1 . 2]" 1
53 1 11 ARG H 1 11 ARG HB3 2.700 . 2.700 2.284 2.058 2.406 . 0 0 "[ . 1 . 2]" 1
54 1 11 ARG H 1 11 ARG QD 5.000 . 5.000 4.108 3.208 4.811 . 0 0 "[ . 1 . 2]" 1
55 1 11 ARG H 1 11 ARG QG 3.500 . 3.500 2.792 2.533 3.503 0.003 19 0 "[ . 1 . 2]" 1
56 1 11 ARG HA 1 11 ARG QG 3.500 . 3.500 3.315 3.042 3.410 . 0 0 "[ . 1 . 2]" 1
57 1 11 ARG HA 1 12 GLU H 5.000 . 5.000 3.465 3.443 3.544 . 0 0 "[ . 1 . 2]" 1
58 1 11 ARG HA 1 14 ILE H 5.000 . 5.000 3.445 3.278 3.552 . 0 0 "[ . 1 . 2]" 1
59 1 11 ARG HA 1 14 ILE HB 3.500 . 3.500 2.258 2.088 2.761 . 0 0 "[ . 1 . 2]" 1
60 1 11 ARG HA 1 14 ILE MD 5.000 . 5.000 3.725 3.436 4.066 . 0 0 "[ . 1 . 2]" 1
61 1 11 ARG HA 1 14 ILE MG 5.000 . 5.000 3.072 2.889 3.936 . 0 0 "[ . 1 . 2]" 1
62 1 11 ARG HA 1 15 GLU H 5.000 . 5.000 3.647 3.431 4.409 . 0 0 "[ . 1 . 2]" 1
63 1 11 ARG QG 1 15 GLU H 5.000 . 5.000 4.788 3.870 5.009 0.009 10 0 "[ . 1 . 2]" 1
64 1 11 ARG QG 1 15 GLU HG3 5.000 . 5.000 3.876 2.395 4.822 . 0 0 "[ . 1 . 2]" 1
65 1 11 ARG HG3 1 12 GLU H 5.000 . 5.000 2.800 2.251 3.958 . 0 0 "[ . 1 . 2]" 1
66 1 12 GLU H 1 12 GLU HB2 3.500 . 3.500 2.115 2.068 2.199 . 0 0 "[ . 1 . 2]" 1
67 1 12 GLU H 1 12 GLU HB3 3.500 . 3.500 3.394 3.290 3.500 0.000 8 0 "[ . 1 . 2]" 1
68 1 12 GLU H 1 12 GLU HG2 5.000 . 5.000 3.999 3.537 4.431 . 0 0 "[ . 1 . 2]" 1
69 1 12 GLU H 1 12 GLU HG3 3.500 . 3.500 3.267 2.912 3.500 0.000 10 0 "[ . 1 . 2]" 1
70 1 12 GLU H 1 13 LEU H 3.500 . 3.500 2.782 2.578 2.837 . 0 0 "[ . 1 . 2]" 1
71 1 12 GLU HA 1 12 GLU HG2 3.500 . 3.500 2.295 2.053 2.763 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLU HA 1 13 LEU H 5.000 . 5.000 3.580 3.463 3.615 . 0 0 "[ . 1 . 2]" 1
73 1 12 GLU HA 1 15 GLU H 5.000 . 5.000 3.901 3.206 4.114 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLU HA 1 16 GLU H 5.000 . 5.000 4.023 3.857 4.125 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLU HA 1 66 MET ME 5.000 . 5.000 4.733 3.584 5.013 0.013 8 0 "[ . 1 . 2]" 1
76 1 12 GLU HG3 1 13 LEU H 5.000 . 5.000 4.832 4.655 4.967 . 0 0 "[ . 1 . 2]" 1
77 1 13 LEU H 1 13 LEU HB2 3.500 . 3.500 2.516 2.062 3.342 . 0 0 "[ . 1 . 2]" 1
78 1 13 LEU H 1 13 LEU HB3 3.500 . 3.500 2.928 2.056 3.419 . 0 0 "[ . 1 . 2]" 1
79 1 13 LEU H 1 13 LEU MD1 5.000 . 5.000 3.595 2.931 4.280 . 0 0 "[ . 1 . 2]" 1
80 1 13 LEU H 1 13 LEU MD2 5.000 . 5.000 4.092 3.412 4.392 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU H 1 13 LEU HG 3.500 . 3.500 3.492 3.299 3.532 0.032 3 0 "[ . 1 . 2]" 1
82 1 13 LEU H 1 14 ILE H 3.500 . 3.500 2.538 2.421 2.634 . 0 0 "[ . 1 . 2]" 1
83 1 13 LEU H 1 107 PHE QB 5.000 . 5.000 5.028 5.009 5.055 0.055 8 0 "[ . 1 . 2]" 1
84 1 13 LEU HA 1 13 LEU MD1 3.500 . 3.500 3.265 2.680 3.537 0.037 12 0 "[ . 1 . 2]" 1
85 1 13 LEU HA 1 66 MET ME 5.000 . 5.000 2.732 1.814 4.359 . 0 0 "[ . 1 . 2]" 1
86 1 13 LEU HB3 1 13 LEU MD1 3.500 . 3.500 2.898 2.065 3.190 . 0 0 "[ . 1 . 2]" 1
87 1 13 LEU HB3 1 14 ILE H 3.500 . 3.500 3.365 3.227 3.440 . 0 0 "[ . 1 . 2]" 1
88 1 13 LEU MD1 1 66 MET ME 5.000 . 5.000 3.255 1.938 4.639 . 0 0 "[ . 1 . 2]" 1
89 1 13 LEU MD2 1 44 TYR QD 5.000 . 5.000 4.885 4.246 5.019 0.019 20 0 "[ . 1 . 2]" 1
90 1 13 LEU MD2 1 44 TYR QE 5.000 . 5.000 3.711 3.084 5.002 0.002 16 0 "[ . 1 . 2]" 1
91 1 13 LEU HG 1 14 ILE H 5.000 . 5.000 4.181 2.559 5.016 0.016 12 0 "[ . 1 . 2]" 1
92 1 14 ILE H 1 14 ILE HB 3.500 . 3.500 2.140 2.129 2.150 . 0 0 "[ . 1 . 2]" 1
93 1 14 ILE H 1 14 ILE MD 5.000 . 5.000 2.361 2.144 2.521 . 0 0 "[ . 1 . 2]" 1
94 1 14 ILE H 1 14 ILE HG12 5.000 . 5.000 4.081 4.036 4.115 . 0 0 "[ . 1 . 2]" 1
95 1 14 ILE H 1 14 ILE MG 3.500 . 3.500 3.512 3.455 3.528 0.028 2 0 "[ . 1 . 2]" 1
96 1 14 ILE H 1 15 GLU H 3.500 . 3.500 2.778 2.523 2.918 . 0 0 "[ . 1 . 2]" 1
97 1 14 ILE HA 1 15 GLU H 5.000 . 5.000 3.570 3.527 3.582 . 0 0 "[ . 1 . 2]" 1
98 1 14 ILE HB 1 14 ILE MD 3.500 . 3.500 2.392 2.324 2.484 . 0 0 "[ . 1 . 2]" 1
99 1 14 ILE HB 1 16 GLU H 5.000 . 5.000 4.868 4.744 5.013 0.013 19 0 "[ . 1 . 2]" 1
100 1 14 ILE HB 1 15 GLU H 3.500 . 3.500 2.739 2.633 3.023 . 0 0 "[ . 1 . 2]" 1
101 1 14 ILE MD 1 15 GLU H 5.000 . 5.000 4.280 4.223 4.338 . 0 0 "[ . 1 . 2]" 1
102 1 14 ILE MD 1 104 LYS H 5.000 . 5.000 4.474 3.543 5.004 0.004 12 0 "[ . 1 . 2]" 1
103 1 14 ILE MD 1 104 LYS HA 5.000 . 5.000 2.463 1.906 3.183 . 0 0 "[ . 1 . 2]" 1
104 1 14 ILE MD 1 107 PHE HB2 5.000 . 5.000 3.861 2.050 4.612 . 0 0 "[ . 1 . 2]" 1
105 1 14 ILE MD 1 107 PHE HB3 5.000 . 5.000 2.963 1.877 3.754 . 0 0 "[ . 1 . 2]" 1
106 1 14 ILE MD 1 107 PHE QD 5.000 . 5.000 3.861 2.817 4.674 . 0 0 "[ . 1 . 2]" 1
107 1 14 ILE MG 1 15 GLU H 5.000 . 5.000 2.293 2.103 2.849 . 0 0 "[ . 1 . 2]" 1
108 1 14 ILE MG 1 18 VAL MG1 3.500 . 3.500 3.519 3.511 3.532 0.032 15 0 "[ . 1 . 2]" 1
109 1 14 ILE MG 1 104 LYS QE 5.000 . 5.000 4.568 3.408 5.006 0.006 2 0 "[ . 1 . 2]" 1
110 1 15 GLU H 1 15 GLU HB2 2.700 . 2.700 2.622 2.507 2.649 . 0 0 "[ . 1 . 2]" 1
111 1 15 GLU H 1 15 GLU HG2 3.500 . 3.500 1.973 1.932 2.168 . 0 0 "[ . 1 . 2]" 1
112 1 15 GLU H 1 15 GLU HG3 3.500 . 3.500 3.293 3.144 3.491 . 0 0 "[ . 1 . 2]" 1
113 1 15 GLU H 1 16 GLU H 3.500 . 3.500 2.646 2.509 2.730 . 0 0 "[ . 1 . 2]" 1
114 1 15 GLU H 1 18 VAL MG1 5.000 . 5.000 4.493 4.446 4.579 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLU HA 1 15 GLU HG2 3.500 . 3.500 2.953 2.827 3.200 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU HA 1 16 GLU H 5.000 . 5.000 3.523 3.497 3.546 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU HA 1 18 VAL H 3.500 . 3.500 3.500 3.465 3.509 0.009 18 0 "[ . 1 . 2]" 1
118 1 15 GLU HA 1 18 VAL MG1 5.000 . 5.000 2.166 2.098 2.263 . 0 0 "[ . 1 . 2]" 1
119 1 15 GLU HA 1 19 ASN H 5.000 . 5.000 3.980 3.870 4.056 . 0 0 "[ . 1 . 2]" 1
120 1 15 GLU HG3 1 16 GLU H 5.000 . 5.000 4.777 4.625 4.995 . 0 0 "[ . 1 . 2]" 1
121 1 16 GLU H 1 16 GLU HB3 2.700 . 2.700 2.725 2.714 2.734 0.034 19 0 "[ . 1 . 2]" 1
122 1 16 GLU H 1 17 LEU H 3.500 . 3.500 2.674 2.559 2.780 . 0 0 "[ . 1 . 2]" 1
123 1 16 GLU H 1 18 VAL H 5.000 . 5.000 3.769 3.667 3.838 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLU H 1 18 VAL MG1 5.000 . 5.000 4.535 4.463 4.577 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLU H 1 19 ASN H 5.000 . 5.000 4.555 4.449 4.624 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLU H 1 19 ASN QB 5.000 . 5.000 4.775 4.612 4.858 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLU HA 1 17 LEU H 5.000 . 5.000 3.541 3.519 3.559 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLU HA 1 19 ASN H 5.000 . 5.000 3.547 3.448 3.643 . 0 0 "[ . 1 . 2]" 1
129 1 16 GLU HA 1 19 ASN QB 3.500 . 3.500 2.863 2.692 2.976 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLU HA 1 19 ASN HD21 5.000 . 5.000 4.401 1.982 5.001 0.001 11 0 "[ . 1 . 2]" 1
131 1 16 GLU HA 1 20 ILE H 5.000 . 5.000 4.285 4.198 4.371 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLU HB2 1 17 LEU H 3.500 . 3.500 3.525 3.512 3.535 0.035 19 0 "[ . 1 . 2]" 1
133 1 17 LEU H 1 17 LEU HB2 3.500 . 3.500 2.375 2.164 2.512 . 0 0 "[ . 1 . 2]" 1
134 1 17 LEU H 1 17 LEU MD1 5.000 . 5.000 3.817 3.466 4.115 . 0 0 "[ . 1 . 2]" 1
135 1 17 LEU H 1 17 LEU MD2 5.000 . 5.000 2.827 1.935 4.060 . 0 0 "[ . 1 . 2]" 1
136 1 17 LEU H 1 17 LEU HG 3.500 . 3.500 2.816 2.209 3.514 0.014 9 0 "[ . 1 . 2]" 1
137 1 17 LEU H 1 18 VAL H 3.500 . 3.500 2.461 2.448 2.478 . 0 0 "[ . 1 . 2]" 1
138 1 17 LEU H 1 18 VAL HA 5.000 . 5.000 5.063 5.057 5.070 0.070 7 0 "[ . 1 . 2]" 1
139 1 17 LEU HA 1 18 VAL H 5.000 . 5.000 3.473 3.444 3.492 . 0 0 "[ . 1 . 2]" 1
140 1 17 LEU HA 1 20 ILE H 3.500 . 3.500 3.418 3.303 3.508 0.008 5 0 "[ . 1 . 2]" 1
141 1 17 LEU HA 1 20 ILE MD 5.000 . 5.000 1.918 1.847 2.019 . 0 0 "[ . 1 . 2]" 1
142 1 17 LEU HA 1 20 ILE HG13 5.000 . 5.000 3.387 3.294 3.470 . 0 0 "[ . 1 . 2]" 1
143 1 17 LEU HB2 1 18 VAL H 5.000 . 5.000 2.879 2.704 2.990 . 0 0 "[ . 1 . 2]" 1
144 1 17 LEU MD1 1 99 LEU HA 5.000 . 5.000 4.549 4.081 5.011 0.011 5 0 "[ . 1 . 2]" 1
145 1 17 LEU MD1 1 100 LEU HA 5.000 . 5.000 1.834 1.769 1.999 . 0 0 "[ . 1 . 2]" 1
146 1 18 VAL H 1 18 VAL HB 2.700 . 2.700 2.201 2.132 2.238 . 0 0 "[ . 1 . 2]" 1
147 1 18 VAL H 1 18 VAL MG1 3.500 . 3.500 2.897 2.824 3.025 . 0 0 "[ . 1 . 2]" 1
148 1 18 VAL H 1 19 ASN H 3.500 . 3.500 2.442 2.403 2.492 . 0 0 "[ . 1 . 2]" 1
149 1 18 VAL H 1 19 ASN QB 5.000 . 5.000 4.213 4.147 4.267 . 0 0 "[ . 1 . 2]" 1
150 1 18 VAL H 1 20 ILE H 5.000 . 5.000 4.268 4.194 4.427 . 0 0 "[ . 1 . 2]" 1
151 1 18 VAL HA 1 18 VAL MG1 3.500 . 3.500 3.121 3.082 3.141 . 0 0 "[ . 1 . 2]" 1
152 1 18 VAL HA 1 18 VAL MG2 3.500 . 3.500 2.039 1.952 2.177 . 0 0 "[ . 1 . 2]" 1
153 1 18 VAL HA 1 19 ASN H 5.000 . 5.000 3.469 3.461 3.483 . 0 0 "[ . 1 . 2]" 1
154 1 18 VAL HA 1 21 THR H 5.000 . 5.000 3.658 3.557 3.772 . 0 0 "[ . 1 . 2]" 1
155 1 18 VAL HA 1 22 GLN H 5.000 . 5.000 4.045 3.516 4.540 . 0 0 "[ . 1 . 2]" 1
156 1 18 VAL HA 1 100 LEU MD1 5.000 . 5.000 3.432 2.293 4.782 . 0 0 "[ . 1 . 2]" 1
157 1 18 VAL HA 1 100 LEU MD2 5.000 . 5.000 2.706 1.967 4.117 . 0 0 "[ . 1 . 2]" 1
158 1 18 VAL HB 1 19 ASN H 3.500 . 3.500 3.513 3.441 3.529 0.029 19 0 "[ . 1 . 2]" 1
159 1 18 VAL MG1 1 19 ASN H 5.000 . 5.000 2.153 2.056 2.271 . 0 0 "[ . 1 . 2]" 1
160 1 18 VAL MG2 1 19 ASN H 5.000 . 5.000 4.177 4.133 4.229 . 0 0 "[ . 1 . 2]" 1
161 1 18 VAL MG2 1 19 ASN HA 5.000 . 5.000 4.749 4.656 4.890 . 0 0 "[ . 1 . 2]" 1
162 1 18 VAL MG2 1 22 GLN H 5.000 . 5.000 4.650 4.200 5.004 0.004 10 0 "[ . 1 . 2]" 1
163 1 18 VAL MG2 1 22 GLN HE21 5.000 . 5.000 3.043 1.968 3.998 . 0 0 "[ . 1 . 2]" 1
164 1 18 VAL MG2 1 22 GLN HE22 5.000 . 5.000 3.952 2.102 5.005 0.005 15 0 "[ . 1 . 2]" 1
165 1 18 VAL MG2 1 22 GLN HG3 3.500 . 3.500 2.907 2.034 3.501 0.001 13 0 "[ . 1 . 2]" 1
166 1 19 ASN H 1 19 ASN QB 2.700 . 2.700 2.248 2.090 2.266 . 0 0 "[ . 1 . 2]" 1
167 1 19 ASN H 1 20 ILE H 3.500 . 3.500 2.715 2.647 2.828 . 0 0 "[ . 1 . 2]" 1
168 1 19 ASN H 1 21 THR H 5.000 . 5.000 4.035 3.948 4.125 . 0 0 "[ . 1 . 2]" 1
169 1 19 ASN HA 1 19 ASN QB 2.700 . 2.700 2.367 2.155 2.438 . 0 0 "[ . 1 . 2]" 1
170 1 19 ASN HA 1 20 ILE H 5.000 . 5.000 3.590 3.583 3.603 . 0 0 "[ . 1 . 2]" 1
171 1 19 ASN HA 1 22 GLN HB2 5.000 . 5.000 2.591 2.110 3.507 . 0 0 "[ . 1 . 2]" 1
172 1 19 ASN QB 1 19 ASN HD22 3.500 . 3.500 3.254 3.220 3.314 . 0 0 "[ . 1 . 2]" 1
173 1 19 ASN QB 1 21 THR H 5.000 . 5.000 4.651 4.561 5.001 0.001 16 0 "[ . 1 . 2]" 1
174 1 19 ASN HB3 1 19 ASN HD21 3.500 . 3.500 2.161 2.115 2.309 . 0 0 "[ . 1 . 2]" 1
175 1 19 ASN HB3 1 20 ILE H 3.500 . 3.500 2.425 2.297 3.240 . 0 0 "[ . 1 . 2]" 1
176 1 19 ASN HB3 1 20 ILE MG 5.000 . 5.000 3.184 2.943 4.114 . 0 0 "[ . 1 . 2]" 1
177 1 19 ASN HD21 1 20 ILE MG 5.000 . 5.000 2.911 2.524 3.319 . 0 0 "[ . 1 . 2]" 1
178 1 19 ASN HD22 1 20 ILE HA 5.000 . 5.000 4.525 3.955 5.000 . 0 0 "[ . 1 . 2]" 1
179 1 20 ILE H 1 20 ILE HB 3.500 . 3.500 3.565 3.559 3.574 0.074 17 0 "[ . 1 . 2]" 1
180 1 20 ILE H 1 20 ILE MD 5.000 . 5.000 3.441 3.250 3.629 . 0 0 "[ . 1 . 2]" 1
181 1 20 ILE H 1 20 ILE HG12 3.500 . 3.500 2.147 2.037 2.279 . 0 0 "[ . 1 . 2]" 1
182 1 20 ILE H 1 20 ILE HG13 3.500 . 3.500 3.499 3.413 3.511 0.011 8 0 "[ . 1 . 2]" 1
183 1 20 ILE H 1 20 ILE MG 3.500 . 3.500 2.188 1.926 2.347 . 0 0 "[ . 1 . 2]" 1
184 1 20 ILE H 1 21 THR H 3.500 . 3.500 2.718 2.649 2.774 . 0 0 "[ . 1 . 2]" 1
185 1 20 ILE H 1 21 THR MG 5.000 . 5.000 4.091 3.901 4.290 . 0 0 "[ . 1 . 2]" 1
186 1 20 ILE HA 1 20 ILE MG 3.500 . 3.500 2.303 2.209 2.423 . 0 0 "[ . 1 . 2]" 1
187 1 20 ILE HB 1 28 LEU MD1 5.000 . 5.000 4.741 3.762 5.005 0.005 20 0 "[ . 1 . 2]" 1
188 1 20 ILE MD 1 21 THR H 5.000 . 5.000 3.667 3.563 3.789 . 0 0 "[ . 1 . 2]" 1
189 1 20 ILE MD 1 60 ILE HA 5.000 . 5.000 4.559 4.109 5.004 0.004 15 0 "[ . 1 . 2]" 1
190 1 20 ILE HG12 1 21 THR H 5.000 . 5.000 2.166 2.019 2.298 . 0 0 "[ . 1 . 2]" 1
191 1 20 ILE HG13 1 21 THR H 5.000 . 5.000 2.321 2.091 2.511 . 0 0 "[ . 1 . 2]" 1
192 1 20 ILE HG13 1 97 LYS H 5.000 . 5.000 5.031 5.024 5.040 0.040 17 0 "[ . 1 . 2]" 1
193 1 20 ILE MG 1 21 THR H 5.000 . 5.000 3.832 3.787 3.890 . 0 0 "[ . 1 . 2]" 1
194 1 21 THR H 1 21 THR HB 3.500 . 3.500 2.546 2.449 2.668 . 0 0 "[ . 1 . 2]" 1
195 1 21 THR H 1 22 GLN H 3.500 . 3.500 2.487 2.386 2.605 . 0 0 "[ . 1 . 2]" 1
196 1 21 THR H 1 22 GLN QG 5.000 . 5.000 4.568 3.928 5.003 0.003 6 0 "[ . 1 . 2]" 1
197 1 21 THR H 1 23 ASN H 5.000 . 5.000 4.739 4.113 5.011 0.011 10 0 "[ . 1 . 2]" 1
198 1 21 THR HA 1 21 THR MG 3.500 . 3.500 3.217 3.209 3.225 . 0 0 "[ . 1 . 2]" 1
199 1 21 THR MG 1 22 GLN H 5.000 . 5.000 2.373 2.001 2.925 . 0 0 "[ . 1 . 2]" 1
200 1 21 THR MG 1 100 LEU HG 5.000 . 5.000 2.813 1.889 4.342 . 0 0 "[ . 1 . 2]" 1
201 1 22 GLN H 1 22 GLN HB2 2.700 . 2.700 2.315 2.077 2.708 0.008 5 0 "[ . 1 . 2]" 1
202 1 22 GLN H 1 22 GLN QG 3.500 . 3.500 2.943 2.369 3.397 . 0 0 "[ . 1 . 2]" 1
203 1 22 GLN H 1 23 ASN H 3.500 . 3.500 3.020 1.945 3.501 0.001 18 0 "[ . 1 . 2]" 1
204 1 22 GLN HA 1 22 GLN HG2 3.500 . 3.500 2.409 2.058 2.643 . 0 0 "[ . 1 . 2]" 1
205 1 22 GLN HA 1 23 ASN H 3.500 . 3.500 3.037 2.511 3.535 0.035 9 0 "[ . 1 . 2]" 1
206 1 22 GLN QB 1 23 ASN HD22 5.000 . 5.000 4.985 4.854 5.008 0.008 4 0 "[ . 1 . 2]" 1
207 1 22 GLN HB2 1 23 ASN HD21 5.000 . 5.000 4.302 3.657 4.614 . 0 0 "[ . 1 . 2]" 1
208 1 23 ASN H 1 23 ASN HB2 3.500 . 3.500 2.286 2.127 2.690 . 0 0 "[ . 1 . 2]" 1
209 1 23 ASN H 1 23 ASN HB3 3.500 . 3.500 3.497 3.434 3.516 0.016 4 0 "[ . 1 . 2]" 1
210 1 23 ASN HB2 1 23 ASN HD21 3.500 . 3.500 2.312 2.115 2.369 . 0 0 "[ . 1 . 2]" 1
211 1 23 ASN HB2 1 23 ASN HD22 3.500 . 3.500 3.504 3.434 3.520 0.020 5 0 "[ . 1 . 2]" 1
212 1 23 ASN HB3 1 23 ASN HD21 3.500 . 3.500 3.488 3.248 3.512 0.012 5 0 "[ . 1 . 2]" 1
213 1 24 GLN H 1 24 GLN HB3 3.500 . 3.500 3.489 3.381 3.555 0.055 14 0 "[ . 1 . 2]" 1
214 1 24 GLN H 1 24 GLN HG2 3.500 . 3.500 3.394 3.066 3.514 0.014 18 0 "[ . 1 . 2]" 1
215 1 24 GLN HA 1 24 GLN HG3 3.500 . 3.500 3.232 2.642 3.548 0.048 5 0 "[ . 1 . 2]" 1
216 1 24 GLN HA 1 25 LYS H 3.500 . 3.500 2.674 2.155 3.527 0.027 11 0 "[ . 1 . 2]" 1
217 1 24 GLN HB3 1 26 ALA H 3.500 . 3.500 2.948 2.337 3.533 0.033 18 0 "[ . 1 . 2]" 1
218 1 24 GLN HE21 1 24 GLN HG2 3.500 . 3.500 2.774 2.118 3.511 0.011 9 0 "[ . 1 . 2]" 1
219 1 24 GLN HE22 1 24 GLN QG 3.500 . 3.500 3.264 3.217 3.452 . 0 0 "[ . 1 . 2]" 1
220 1 24 GLN QG 1 26 ALA H 5.000 . 5.000 4.594 4.260 5.017 0.017 17 0 "[ . 1 . 2]" 1
221 1 25 LYS H 1 26 ALA H 3.500 . 3.500 2.610 1.764 3.510 0.010 11 0 "[ . 1 . 2]" 1
222 1 25 LYS HA 1 26 ALA H 3.500 . 3.500 3.467 3.272 3.532 0.032 11 0 "[ . 1 . 2]" 1
223 1 25 LYS HB2 1 26 ALA H 3.500 . 3.500 2.987 2.226 3.501 0.001 16 0 "[ . 1 . 2]" 1
224 1 26 ALA H 1 26 ALA MB 3.500 . 3.500 2.148 2.019 2.986 . 0 0 "[ . 1 . 2]" 1
225 1 26 ALA H 1 27 PRO HD2 5.000 . 5.000 4.677 2.333 4.893 . 0 0 "[ . 1 . 2]" 1
226 1 26 ALA H 1 27 PRO HD3 5.000 . 5.000 4.868 2.078 5.034 0.034 11 0 "[ . 1 . 2]" 1
227 1 26 ALA HA 1 27 PRO HD2 3.500 . 3.500 2.655 2.242 2.980 . 0 0 "[ . 1 . 2]" 1
228 1 26 ALA HA 1 27 PRO HD3 3.500 . 3.500 2.421 2.309 3.410 . 0 0 "[ . 1 . 2]" 1
229 1 26 ALA MB 1 27 PRO HD2 5.000 . 5.000 2.169 1.842 4.085 . 0 0 "[ . 1 . 2]" 1
230 1 26 ALA MB 1 27 PRO HD3 5.000 . 5.000 3.100 2.642 3.981 . 0 0 "[ . 1 . 2]" 1
231 1 27 PRO HA 1 27 PRO HG2 3.500 . 3.500 3.627 3.619 3.634 0.134 7 0 "[ . 1 . 2]" 1
232 1 27 PRO HA 1 28 LEU H 2.700 . 2.700 2.533 2.379 2.700 0.000 18 0 "[ . 1 . 2]" 1
233 1 27 PRO HB2 1 30 ASN H 5.000 . 5.000 4.003 2.605 5.002 0.002 7 0 "[ . 1 . 2]" 1
234 1 27 PRO HB2 1 31 GLY H 5.000 . 5.000 3.737 1.996 5.011 0.011 17 0 "[ . 1 . 2]" 1
235 1 27 PRO HB3 1 28 LEU H 3.500 . 3.500 3.472 3.353 3.515 0.015 17 0 "[ . 1 . 2]" 1
236 1 27 PRO QG 1 28 LEU H 5.000 . 5.000 3.625 3.273 3.910 . 0 0 "[ . 1 . 2]" 1
237 1 27 PRO HG2 1 28 LEU H 5.000 . 5.000 3.774 3.386 4.097 . 0 0 "[ . 1 . 2]" 1
238 1 28 LEU H 1 28 LEU QB 2.700 . 2.700 2.325 2.110 2.670 . 0 0 "[ . 1 . 2]" 1
239 1 28 LEU H 1 28 LEU MD1 5.000 . 5.000 4.003 1.900 4.266 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU H 1 29 CYS H 5.000 . 5.000 3.659 2.569 4.590 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU H 1 93 ALA HA 5.000 . 5.000 3.709 2.895 5.001 0.001 13 0 "[ . 1 . 2]" 1
242 1 28 LEU H 1 93 ALA MB 5.000 . 5.000 3.089 1.879 4.242 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU HA 1 28 LEU MD1 3.500 . 3.500 2.175 1.933 3.268 . 0 0 "[ . 1 . 2]" 1
244 1 28 LEU HA 1 29 CYS H 3.500 . 3.500 2.840 2.132 3.535 0.035 11 0 "[ . 1 . 2]" 1
245 1 28 LEU QB 1 92 VAL MG1 5.000 . 5.000 3.184 1.910 5.008 0.008 17 0 "[ . 1 . 2]" 1
246 1 28 LEU QB 1 93 ALA H 5.000 . 5.000 3.976 3.103 5.000 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU HB3 1 29 CYS H 5.000 . 5.000 3.083 1.960 4.303 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU MD1 1 29 CYS H 3.500 . 3.500 3.108 1.973 3.510 0.010 17 0 "[ . 1 . 2]" 1
249 1 28 LEU MD1 1 59 ALA MB 3.500 . 3.500 2.948 1.947 3.502 0.002 3 0 "[ . 1 . 2]" 1
250 1 28 LEU MD2 1 60 ILE H 5.000 . 5.000 4.385 3.030 5.005 0.005 1 0 "[ . 1 . 2]" 1
251 1 28 LEU MD2 1 96 VAL MG2 3.500 . 3.500 2.089 1.710 2.664 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU HG 1 92 VAL MG1 5.000 . 5.000 4.140 2.627 5.007 0.007 11 0 "[ . 1 . 2]" 1
253 1 29 CYS H 1 30 ASN H 5.000 . 5.000 3.137 2.067 4.051 . 0 0 "[ . 1 . 2]" 1
254 1 29 CYS HB2 1 32 SER H 5.000 . 5.000 4.045 2.905 5.000 0.000 20 0 "[ . 1 . 2]" 1
255 1 29 CYS HB2 1 92 VAL MG1 5.000 . 5.000 3.457 2.458 4.415 . 0 0 "[ . 1 . 2]" 1
256 1 29 CYS HB3 1 32 SER H 5.000 . 5.000 4.470 2.232 5.003 0.003 12 0 "[ . 1 . 2]" 1
257 1 29 CYS HB3 1 54 VAL MG1 5.000 . 5.000 3.783 2.461 4.878 . 0 0 "[ . 1 . 2]" 1
258 1 29 CYS HB3 1 92 VAL MG1 5.000 . 5.000 4.580 3.353 5.004 0.004 2 0 "[ . 1 . 2]" 1
259 1 29 CYS HB3 1 92 VAL MG2 5.000 . 5.000 4.306 3.194 5.001 0.001 5 0 "[ . 1 . 2]" 1
260 1 30 ASN H 1 30 ASN HB3 3.500 . 3.500 3.281 2.946 3.525 0.025 7 0 "[ . 1 . 2]" 1
261 1 30 ASN H 1 31 GLY H 3.500 . 3.500 2.679 1.976 3.520 0.020 7 0 "[ . 1 . 2]" 1
262 1 30 ASN HA 1 31 GLY H 3.500 . 3.500 2.947 2.264 3.538 0.038 4 0 "[ . 1 . 2]" 1
263 1 30 ASN HB3 1 31 GLY H 5.000 . 5.000 4.120 2.392 4.661 . 0 0 "[ . 1 . 2]" 1
264 1 31 GLY H 1 32 SER H 3.500 . 3.500 2.619 1.944 3.504 0.004 3 0 "[ . 1 . 2]" 1
265 1 31 GLY HA3 1 32 SER H 5.000 . 5.000 3.379 2.418 3.568 . 0 0 "[ . 1 . 2]" 1
266 1 32 SER H 1 32 SER HB2 3.500 . 3.500 2.744 2.440 3.300 . 0 0 "[ . 1 . 2]" 1
267 1 32 SER H 1 33 MET H 5.000 . 5.000 4.170 3.716 4.409 . 0 0 "[ . 1 . 2]" 1
268 1 32 SER H 1 92 VAL MG2 5.000 . 5.000 2.252 1.817 3.564 . 0 0 "[ . 1 . 2]" 1
269 1 32 SER HA 1 33 MET H 2.700 . 2.700 2.159 2.153 2.170 . 0 0 "[ . 1 . 2]" 1
270 1 32 SER QB 1 33 MET H 3.500 . 3.500 3.509 3.501 3.522 0.022 12 0 "[ . 1 . 2]" 1
271 1 32 SER QB 1 54 VAL MG2 5.000 . 5.000 3.997 3.195 4.534 . 0 0 "[ . 1 . 2]" 1
272 1 32 SER QB 1 92 VAL H 5.000 . 5.000 5.003 4.917 5.020 0.020 17 0 "[ . 1 . 2]" 1
273 1 32 SER HB2 1 54 VAL MG1 5.000 . 5.000 3.838 2.969 5.001 0.001 1 0 "[ . 1 . 2]" 1
274 1 32 SER HB2 1 92 VAL MG2 5.000 . 5.000 3.131 2.967 3.328 . 0 0 "[ . 1 . 2]" 1
275 1 33 MET H 1 33 MET HB2 3.500 . 3.500 2.694 2.587 2.952 . 0 0 "[ . 1 . 2]" 1
276 1 33 MET H 1 33 MET HB3 3.500 . 3.500 3.544 3.525 3.558 0.058 12 0 "[ . 1 . 2]" 1
277 1 33 MET H 1 33 MET HG2 3.500 . 3.500 2.427 1.871 3.500 0.000 17 0 "[ . 1 . 2]" 1
278 1 33 MET H 1 33 MET HG3 3.500 . 3.500 2.637 1.933 3.501 0.001 12 0 "[ . 1 . 2]" 1
279 1 33 MET H 1 34 VAL H 5.000 . 5.000 4.609 4.563 4.626 . 0 0 "[ . 1 . 2]" 1
280 1 33 MET HA 1 34 VAL H 3.500 . 3.500 2.387 2.344 2.578 . 0 0 "[ . 1 . 2]" 1
281 1 33 MET HA 1 90 ILE H 5.000 . 5.000 4.265 3.743 4.750 . 0 0 "[ . 1 . 2]" 1
282 1 33 MET HA 1 91 GLU HA 3.500 . 3.500 2.927 2.377 3.505 0.005 18 0 "[ . 1 . 2]" 1
283 1 33 MET HA 1 92 VAL H 5.000 . 5.000 3.091 2.480 3.651 . 0 0 "[ . 1 . 2]" 1
284 1 33 MET HB2 1 34 VAL H 3.500 . 3.500 3.436 3.149 3.506 0.006 6 0 "[ . 1 . 2]" 1
285 1 33 MET HB3 1 34 VAL H 5.000 . 5.000 2.517 2.259 2.620 . 0 0 "[ . 1 . 2]" 1
286 1 33 MET ME 1 89 LYS H 5.000 . 5.000 4.444 3.714 5.000 0.000 4 0 "[ . 1 . 2]" 1
287 1 33 MET ME 1 90 ILE HA 3.500 . 3.500 3.030 1.946 3.502 0.002 16 0 "[ . 1 . 2]" 1
288 1 33 MET ME 1 91 GLU HG2 5.000 . 5.000 3.271 1.903 5.000 0.000 19 0 "[ . 1 . 2]" 1
289 1 33 MET HG2 1 34 VAL H 5.000 . 5.000 4.640 4.276 5.018 0.018 10 0 "[ . 1 . 2]" 1
290 1 33 MET HG3 1 34 VAL H 5.000 . 5.000 4.944 4.639 5.018 0.018 9 0 "[ . 1 . 2]" 1
291 1 34 VAL H 1 35 TRP H 5.000 . 5.000 4.381 4.287 4.443 . 0 0 "[ . 1 . 2]" 1
292 1 34 VAL H 1 36 SER H 5.000 . 5.000 4.982 4.681 5.047 0.047 17 0 "[ . 1 . 2]" 1
293 1 34 VAL H 1 89 LYS HA 5.000 . 5.000 3.976 3.600 4.357 . 0 0 "[ . 1 . 2]" 1
294 1 34 VAL H 1 90 ILE HG12 5.000 . 5.000 3.894 3.189 4.664 . 0 0 "[ . 1 . 2]" 1
295 1 34 VAL H 1 92 VAL H 5.000 . 5.000 4.616 4.341 4.957 . 0 0 "[ . 1 . 2]" 1
296 1 34 VAL H 1 92 VAL MG1 5.000 . 5.000 4.325 3.765 4.733 . 0 0 "[ . 1 . 2]" 1
297 1 34 VAL H 1 92 VAL MG2 5.000 . 5.000 5.018 5.011 5.023 0.023 1 0 "[ . 1 . 2]" 1
298 1 34 VAL HA 1 34 VAL MG1 3.500 . 3.500 2.084 1.949 2.219 . 0 0 "[ . 1 . 2]" 1
299 1 34 VAL HA 1 35 TRP H 3.500 . 3.500 2.440 2.235 2.601 . 0 0 "[ . 1 . 2]" 1
300 1 34 VAL HA 1 89 LYS HG3 5.000 . 5.000 4.303 3.568 5.001 0.001 5 0 "[ . 1 . 2]" 1
301 1 34 VAL HB 1 35 TRP H 3.500 . 3.500 2.410 1.974 3.026 . 0 0 "[ . 1 . 2]" 1
302 1 34 VAL MG1 1 35 TRP H 5.000 . 5.000 3.265 2.601 3.606 . 0 0 "[ . 1 . 2]" 1
303 1 34 VAL MG1 1 51 LEU HA 5.000 . 5.000 3.574 2.050 4.525 . 0 0 "[ . 1 . 2]" 1
304 1 34 VAL MG1 1 54 VAL H 5.000 . 5.000 4.681 3.274 5.009 0.009 16 0 "[ . 1 . 2]" 1
305 1 34 VAL MG1 1 54 VAL MG2 5.000 . 5.000 2.776 2.115 3.520 . 0 0 "[ . 1 . 2]" 1
306 1 34 VAL MG1 1 92 VAL H 5.000 . 5.000 4.770 4.072 5.005 0.005 20 0 "[ . 1 . 2]" 1
307 1 34 VAL MG1 1 92 VAL HB 5.000 . 5.000 4.843 4.230 5.012 0.012 20 0 "[ . 1 . 2]" 1
308 1 34 VAL MG1 1 92 VAL MG2 5.000 . 5.000 4.138 3.681 4.474 . 0 0 "[ . 1 . 2]" 1
309 1 34 VAL MG2 1 35 TRP H 5.000 . 5.000 3.747 3.405 4.172 . 0 0 "[ . 1 . 2]" 1
310 1 34 VAL MG2 1 36 SER H 5.000 . 5.000 3.960 2.990 5.001 0.001 20 0 "[ . 1 . 2]" 1
311 1 34 VAL MG2 1 90 ILE H 5.000 . 5.000 3.337 2.354 3.842 . 0 0 "[ . 1 . 2]" 1
312 1 34 VAL MG2 1 90 ILE HG13 5.000 . 5.000 2.558 1.866 3.407 . 0 0 "[ . 1 . 2]" 1
313 1 34 VAL MG2 1 92 VAL H 5.000 . 5.000 3.582 3.073 4.431 . 0 0 "[ . 1 . 2]" 1
314 1 34 VAL MG2 1 92 VAL HA 5.000 . 5.000 2.313 1.884 2.689 . 0 0 "[ . 1 . 2]" 1
315 1 34 VAL MG2 1 92 VAL MG1 5.000 . 5.000 2.318 1.683 3.062 . 0 0 "[ . 1 . 2]" 1
316 1 34 VAL MG2 1 92 VAL MG2 5.000 . 5.000 3.778 3.112 4.204 . 0 0 "[ . 1 . 2]" 1
317 1 34 VAL MG2 1 95 PHE H 5.000 . 5.000 4.054 3.488 4.675 . 0 0 "[ . 1 . 2]" 1
318 1 34 VAL MG2 1 95 PHE HB2 5.000 . 5.000 2.242 1.764 2.821 . 0 0 "[ . 1 . 2]" 1
319 1 34 VAL MG2 1 95 PHE HB3 5.000 . 5.000 2.831 2.370 3.247 . 0 0 "[ . 1 . 2]" 1
320 1 34 VAL MG2 1 95 PHE QD 5.000 . 5.000 2.184 1.848 2.704 . 0 0 "[ . 1 . 2]" 1
321 1 34 VAL MG2 1 96 VAL H 5.000 . 5.000 4.743 4.310 5.003 0.003 7 0 "[ . 1 . 2]" 1
322 1 35 TRP H 1 35 TRP HB2 3.500 . 3.500 2.420 2.024 2.842 . 0 0 "[ . 1 . 2]" 1
323 1 35 TRP H 1 35 TRP HD1 5.000 . 5.000 3.853 3.181 5.034 0.034 11 0 "[ . 1 . 2]" 1
324 1 35 TRP H 1 36 SER H 5.000 . 5.000 3.466 2.125 4.353 . 0 0 "[ . 1 . 2]" 1
325 1 35 TRP HA 1 35 TRP HE3 5.000 . 5.000 2.009 1.763 2.314 . 0 0 "[ . 1 . 2]" 1
326 1 35 TRP HA 1 36 SER H 3.500 . 3.500 2.681 2.058 3.490 . 0 0 "[ . 1 . 2]" 1
327 1 35 TRP HA 1 89 LYS HG2 5.000 . 5.000 4.318 3.358 5.004 0.004 11 0 "[ . 1 . 2]" 1
328 1 35 TRP HA 1 89 LYS HG3 5.000 . 5.000 3.070 2.194 3.715 . 0 0 "[ . 1 . 2]" 1
329 1 35 TRP HB2 1 36 SER H 5.000 . 5.000 3.825 2.631 4.393 . 0 0 "[ . 1 . 2]" 1
330 1 35 TRP HB3 1 35 TRP HE1 5.000 . 5.000 5.036 4.771 5.086 0.086 7 0 "[ . 1 . 2]" 1
331 1 35 TRP HB3 1 36 SER H 3.500 . 3.500 3.534 3.242 3.575 0.075 8 0 "[ . 1 . 2]" 1
332 1 35 TRP HE3 1 88 THR H 5.000 . 5.000 4.152 2.631 5.005 0.005 11 0 "[ . 1 . 2]" 1
333 1 36 SER H 1 36 SER HB2 3.500 . 3.500 3.032 2.102 3.522 0.022 14 0 "[ . 1 . 2]" 1
334 1 36 SER H 1 36 SER HB3 3.500 . 3.500 3.297 2.923 3.599 0.099 14 0 "[ . 1 . 2]" 1
335 1 36 SER H 1 37 ILE H 5.000 . 5.000 4.544 4.295 4.666 . 0 0 "[ . 1 . 2]" 1
336 1 36 SER H 1 90 ILE H 5.000 . 5.000 3.956 3.129 5.002 0.002 11 0 "[ . 1 . 2]" 1
337 1 36 SER H 1 90 ILE MD 3.500 . 3.500 3.225 2.840 3.521 0.021 14 0 "[ . 1 . 2]" 1
338 1 36 SER H 1 90 ILE HG12 5.000 . 5.000 3.168 2.481 3.672 . 0 0 "[ . 1 . 2]" 1
339 1 36 SER H 1 95 PHE QE 3.500 . 3.500 2.790 1.757 3.524 0.024 2 0 "[ . 1 . 2]" 1
340 1 36 SER HA 1 37 ILE H 2.700 . 2.700 2.365 2.215 2.523 . 0 0 "[ . 1 . 2]" 1
341 1 36 SER HA 1 90 ILE MD 5.000 . 5.000 2.205 1.859 3.133 . 0 0 "[ . 1 . 2]" 1
342 1 36 SER HA 1 90 ILE HG12 5.000 . 5.000 2.708 2.084 3.645 . 0 0 "[ . 1 . 2]" 1
343 1 36 SER HA 1 95 PHE QD 3.500 . 3.500 2.309 1.940 3.261 . 0 0 "[ . 1 . 2]" 1
344 1 36 SER HA 1 95 PHE QE 5.000 . 5.000 2.225 1.871 3.011 . 0 0 "[ . 1 . 2]" 1
345 1 36 SER QB 1 37 ILE H 3.500 . 3.500 3.104 2.474 3.357 . 0 0 "[ . 1 . 2]" 1
346 1 36 SER HB2 1 90 ILE MD 5.000 . 5.000 2.977 1.878 4.660 . 0 0 "[ . 1 . 2]" 1
347 1 36 SER HB2 1 90 ILE HG12 5.000 . 5.000 3.068 1.984 4.420 . 0 0 "[ . 1 . 2]" 1
348 1 36 SER HB2 1 90 ILE MG 5.000 . 5.000 2.374 1.767 3.668 . 0 0 "[ . 1 . 2]" 1
349 1 36 SER HB3 1 37 ILE H 3.500 . 3.500 3.480 3.227 3.532 0.032 5 0 "[ . 1 . 2]" 1
350 1 36 SER HB3 1 90 ILE MD 5.000 . 5.000 3.454 1.998 5.001 0.001 17 0 "[ . 1 . 2]" 1
351 1 36 SER HB3 1 90 ILE HG12 5.000 . 5.000 3.717 2.074 4.628 . 0 0 "[ . 1 . 2]" 1
352 1 36 SER HB3 1 90 ILE MG 5.000 . 5.000 2.828 1.857 3.890 . 0 0 "[ . 1 . 2]" 1
353 1 37 ILE H 1 37 ILE MD 5.000 . 5.000 3.210 2.195 4.212 . 0 0 "[ . 1 . 2]" 1
354 1 37 ILE H 1 37 ILE HG12 5.000 . 5.000 2.080 1.772 4.315 . 0 0 "[ . 1 . 2]" 1
355 1 37 ILE H 1 37 ILE HG13 3.500 . 3.500 3.140 2.063 3.536 0.036 17 0 "[ . 1 . 2]" 1
356 1 37 ILE H 1 37 ILE MG 3.500 . 3.500 3.616 3.245 3.678 0.178 14 0 "[ . 1 . 2]" 1
357 1 37 ILE H 1 95 PHE QD 5.000 . 5.000 3.952 3.168 4.539 . 0 0 "[ . 1 . 2]" 1
358 1 37 ILE H 1 95 PHE QE 5.000 . 5.000 3.464 2.647 4.343 . 0 0 "[ . 1 . 2]" 1
359 1 37 ILE HA 1 38 ASN H 2.700 . 2.700 2.333 2.181 2.563 . 0 0 "[ . 1 . 2]" 1
360 1 37 ILE HB 1 38 ASN H 3.500 . 3.500 3.439 3.053 3.581 0.081 17 0 "[ . 1 . 2]" 1
361 1 37 ILE HB 1 46 ALA MB 5.000 . 5.000 4.610 3.465 5.013 0.013 19 0 "[ . 1 . 2]" 1
362 1 37 ILE HB 1 101 LEU MD1 5.000 . 5.000 5.030 5.013 5.047 0.047 16 0 "[ . 1 . 2]" 1
363 1 37 ILE MD 1 38 ASN H 5.000 . 5.000 3.883 3.252 5.009 0.009 16 0 "[ . 1 . 2]" 1
364 1 37 ILE MD 1 39 LEU MD2 5.000 . 5.000 4.229 2.077 5.014 0.014 18 0 "[ . 1 . 2]" 1
365 1 37 ILE MD 1 43 MET HB2 5.000 . 5.000 4.037 2.863 4.757 . 0 0 "[ . 1 . 2]" 1
366 1 37 ILE MD 1 46 ALA MB 5.000 . 5.000 3.391 2.992 4.050 . 0 0 "[ . 1 . 2]" 1
367 1 37 ILE MD 1 47 ALA H 5.000 . 5.000 3.270 2.942 3.779 . 0 0 "[ . 1 . 2]" 1
368 1 37 ILE MD 1 47 ALA HA 5.000 . 5.000 2.916 2.203 4.235 . 0 0 "[ . 1 . 2]" 1
369 1 37 ILE MD 1 47 ALA MB 5.000 . 5.000 1.873 1.650 2.574 . 0 0 "[ . 1 . 2]" 1
370 1 37 ILE MD 1 95 PHE HZ 5.000 . 5.000 3.162 2.121 4.692 . 0 0 "[ . 1 . 2]" 1
371 1 37 ILE HG13 1 38 ASN H 5.000 . 5.000 4.868 3.475 5.012 0.012 20 0 "[ . 1 . 2]" 1
372 1 37 ILE MG 1 46 ALA MB 5.000 . 5.000 2.586 1.665 3.588 . 0 0 "[ . 1 . 2]" 1
373 1 38 ASN H 1 38 ASN HB2 3.500 . 3.500 2.738 2.307 3.557 0.057 16 0 "[ . 1 . 2]" 1
374 1 38 ASN H 1 38 ASN HB3 3.500 . 3.500 3.108 2.608 3.511 0.011 4 0 "[ . 1 . 2]" 1
375 1 38 ASN H 1 46 ALA MB 5.000 . 5.000 2.578 2.037 4.552 . 0 0 "[ . 1 . 2]" 1
376 1 38 ASN HA 1 39 LEU H 2.700 . 2.700 2.502 2.256 2.766 0.066 11 0 "[ . 1 . 2]" 1
377 1 38 ASN QB 1 38 ASN HD22 3.500 . 3.500 3.291 3.213 3.414 . 0 0 "[ . 1 . 2]" 1
378 1 38 ASN QB 1 39 LEU H 5.000 . 5.000 3.930 3.793 4.036 . 0 0 "[ . 1 . 2]" 1
379 1 38 ASN HB2 1 38 ASN HD21 3.500 . 3.500 2.796 2.116 3.523 0.023 3 0 "[ . 1 . 2]" 1
380 1 38 ASN HB3 1 40 THR MG 5.000 . 5.000 3.504 2.323 5.001 0.001 14 0 "[ . 1 . 2]" 1
381 1 38 ASN HD22 1 40 THR MG 5.000 . 5.000 3.639 2.011 5.008 0.008 16 0 "[ . 1 . 2]" 1
382 1 39 LEU H 1 39 LEU HB2 3.500 . 3.500 2.689 2.192 3.085 . 0 0 "[ . 1 . 2]" 1
383 1 39 LEU H 1 39 LEU MD1 3.500 . 3.500 2.901 1.915 3.538 0.038 13 0 "[ . 1 . 2]" 1
384 1 39 LEU H 1 39 LEU HG 3.500 . 3.500 2.553 1.769 3.542 0.042 12 0 "[ . 1 . 2]" 1
385 1 39 LEU H 1 40 THR H 3.500 . 3.500 3.211 2.891 3.546 0.046 3 0 "[ . 1 . 2]" 1
386 1 39 LEU H 1 40 THR MG 5.000 . 5.000 3.848 3.168 4.388 . 0 0 "[ . 1 . 2]" 1
387 1 39 LEU HA 1 39 LEU MD2 3.500 . 3.500 2.633 1.955 3.512 0.012 15 0 "[ . 1 . 2]" 1
388 1 39 LEU HA 1 40 THR H 3.500 . 3.500 2.976 2.263 3.496 . 0 0 "[ . 1 . 2]" 1
389 1 39 LEU HA 1 41 ALA H 5.000 . 5.000 4.517 3.961 5.002 0.002 14 0 "[ . 1 . 2]" 1
390 1 39 LEU HB2 1 40 THR H 5.000 . 5.000 3.626 2.693 4.600 . 0 0 "[ . 1 . 2]" 1
391 1 39 LEU MD1 1 40 THR H 5.000 . 5.000 4.855 4.240 5.048 0.048 7 0 "[ . 1 . 2]" 1
392 1 39 LEU MD1 1 99 LEU HA 5.000 . 5.000 4.944 3.775 5.024 0.024 9 0 "[ . 1 . 2]" 1
393 1 39 LEU MD1 1 102 HIS H 5.000 . 5.000 3.771 3.100 4.634 . 0 0 "[ . 1 . 2]" 1
394 1 39 LEU MD1 1 102 HIS HB2 5.000 . 5.000 2.666 1.885 3.719 . 0 0 "[ . 1 . 2]" 1
395 1 39 LEU MD2 1 40 THR H 5.000 . 5.000 4.638 3.039 5.057 0.057 7 0 "[ . 1 . 2]" 1
396 1 39 LEU MD2 1 102 HIS H 5.000 . 5.000 3.504 2.400 5.007 0.007 15 0 "[ . 1 . 2]" 1
397 1 39 LEU MD2 1 102 HIS HD2 5.000 . 5.000 4.007 2.712 5.012 0.012 16 0 "[ . 1 . 2]" 1
398 1 39 LEU HG 1 40 THR H 5.000 . 5.000 4.378 3.754 5.024 0.024 12 0 "[ . 1 . 2]" 1
399 1 40 THR H 1 41 ALA H 5.000 . 5.000 2.928 1.972 4.033 . 0 0 "[ . 1 . 2]" 1
400 1 40 THR H 1 43 MET HB2 5.000 . 5.000 4.986 4.741 5.019 0.019 15 0 "[ . 1 . 2]" 1
401 1 40 THR H 1 43 MET HB3 5.000 . 5.000 3.654 3.139 4.044 . 0 0 "[ . 1 . 2]" 1
402 1 40 THR H 1 43 MET QG 5.000 . 5.000 4.774 2.665 5.030 0.030 14 0 "[ . 1 . 2]" 1
403 1 40 THR MG 1 41 ALA H 5.000 . 5.000 3.047 1.863 4.296 . 0 0 "[ . 1 . 2]" 1
404 1 41 ALA HA 1 42 GLY H 5.000 . 5.000 2.692 2.151 3.579 . 0 0 "[ . 1 . 2]" 1
405 1 41 ALA MB 1 42 GLY H 5.000 . 5.000 2.665 1.948 3.653 . 0 0 "[ . 1 . 2]" 1
406 1 42 GLY HA3 1 43 MET H 3.500 . 3.500 3.507 3.444 3.531 0.031 14 0 "[ . 1 . 2]" 1
407 1 43 MET H 1 44 TYR H 3.500 . 3.500 2.549 2.239 2.842 . 0 0 "[ . 1 . 2]" 1
408 1 43 MET HA 1 44 TYR H 5.000 . 5.000 3.510 3.430 3.565 . 0 0 "[ . 1 . 2]" 1
409 1 43 MET HA 1 46 ALA MB 5.000 . 5.000 2.236 2.037 2.491 . 0 0 "[ . 1 . 2]" 1
410 1 43 MET HB2 1 43 MET ME 5.000 . 5.000 3.029 1.867 4.296 . 0 0 "[ . 1 . 2]" 1
411 1 43 MET HB2 1 44 TYR H 5.000 . 5.000 3.748 2.551 4.241 . 0 0 "[ . 1 . 2]" 1
412 1 43 MET HB3 1 43 MET ME 5.000 . 5.000 3.520 2.059 4.240 . 0 0 "[ . 1 . 2]" 1
413 1 43 MET HB3 1 44 TYR H 5.000 . 5.000 4.009 3.873 4.222 . 0 0 "[ . 1 . 2]" 1
414 1 43 MET ME 1 44 TYR H 5.000 . 5.000 3.665 2.433 4.841 . 0 0 "[ . 1 . 2]" 1
415 1 43 MET ME 1 44 TYR QE 5.000 . 5.000 3.723 2.308 4.759 . 0 0 "[ . 1 . 2]" 1
416 1 43 MET ME 1 102 HIS HD2 5.000 . 5.000 3.396 1.907 5.005 0.005 10 0 "[ . 1 . 2]" 1
417 1 43 MET HG3 1 44 TYR H 3.500 . 3.500 2.474 1.884 3.521 0.021 10 0 "[ . 1 . 2]" 1
418 1 44 TYR H 1 44 TYR HB2 3.500 . 3.500 2.476 2.180 2.884 . 0 0 "[ . 1 . 2]" 1
419 1 44 TYR H 1 44 TYR QD 3.500 . 3.500 2.334 1.964 2.993 . 0 0 "[ . 1 . 2]" 1
420 1 44 TYR H 1 44 TYR QE 5.000 . 5.000 4.244 3.814 4.805 . 0 0 "[ . 1 . 2]" 1
421 1 44 TYR H 1 45 CYS H 3.500 . 3.500 2.876 2.744 3.014 . 0 0 "[ . 1 . 2]" 1
422 1 44 TYR H 1 45 CYS HB2 5.000 . 5.000 4.891 4.689 5.008 0.008 4 0 "[ . 1 . 2]" 1
423 1 44 TYR H 1 46 ALA H 5.000 . 5.000 3.777 3.631 3.951 . 0 0 "[ . 1 . 2]" 1
424 1 44 TYR H 1 67 LEU MD2 5.000 . 5.000 4.477 4.003 5.004 0.004 1 0 "[ . 1 . 2]" 1
425 1 44 TYR HA 1 45 CYS H 5.000 . 5.000 3.566 3.555 3.574 . 0 0 "[ . 1 . 2]" 1
426 1 44 TYR HA 1 47 ALA MB 5.000 . 5.000 3.341 3.060 3.618 . 0 0 "[ . 1 . 2]" 1
427 1 44 TYR QB 1 46 ALA H 5.000 . 5.000 4.218 4.135 4.279 . 0 0 "[ . 1 . 2]" 1
428 1 44 TYR HB2 1 45 CYS H 3.500 . 3.500 2.320 2.100 2.611 . 0 0 "[ . 1 . 2]" 1
429 1 44 TYR HB3 1 71 CYS H 5.000 . 5.000 3.466 2.980 4.446 . 0 0 "[ . 1 . 2]" 1
430 1 44 TYR QD 1 45 CYS H 5.000 . 5.000 3.937 3.352 4.403 . 0 0 "[ . 1 . 2]" 1
431 1 44 TYR QD 1 67 LEU MD2 5.000 . 5.000 2.120 1.833 2.741 . 0 0 "[ . 1 . 2]" 1
432 1 44 TYR QE 1 67 LEU MD2 5.000 . 5.000 3.473 2.717 4.336 . 0 0 "[ . 1 . 2]" 1
433 1 44 TYR QE 1 103 LEU MD2 5.000 . 5.000 2.286 1.886 4.024 . 0 0 "[ . 1 . 2]" 1
434 1 45 CYS H 1 45 CYS HB2 3.500 . 3.500 2.301 2.093 2.419 . 0 0 "[ . 1 . 2]" 1
435 1 45 CYS H 1 46 ALA H 3.500 . 3.500 2.663 2.601 2.726 . 0 0 "[ . 1 . 2]" 1
436 1 45 CYS H 1 71 CYS HB2 5.000 . 5.000 3.780 2.963 5.007 0.007 16 0 "[ . 1 . 2]" 1
437 1 45 CYS HA 1 48 LEU H 5.000 . 5.000 3.409 3.236 3.565 . 0 0 "[ . 1 . 2]" 1
438 1 45 CYS HA 1 48 LEU HB2 5.000 . 5.000 3.334 3.008 3.550 . 0 0 "[ . 1 . 2]" 1
439 1 45 CYS HA 1 48 LEU HB3 5.000 . 5.000 2.286 2.087 2.459 . 0 0 "[ . 1 . 2]" 1
440 1 45 CYS HA 1 48 LEU MD2 5.000 . 5.000 2.879 2.491 3.109 . 0 0 "[ . 1 . 2]" 1
441 1 45 CYS HA 1 71 CYS H 5.000 . 5.000 4.787 4.292 5.012 0.012 8 0 "[ . 1 . 2]" 1
442 1 45 CYS HA 1 71 CYS HB2 5.000 . 5.000 2.496 1.918 3.655 . 0 0 "[ . 1 . 2]" 1
443 1 45 CYS HA 1 71 CYS HB3 5.000 . 5.000 3.938 3.569 4.546 . 0 0 "[ . 1 . 2]" 1
444 1 45 CYS QB 1 46 ALA H 5.000 . 5.000 2.992 2.883 3.136 . 0 0 "[ . 1 . 2]" 1
445 1 46 ALA H 1 46 ALA MB 3.500 . 3.500 2.136 2.041 2.241 . 0 0 "[ . 1 . 2]" 1
446 1 46 ALA H 1 47 ALA H 3.500 . 3.500 2.651 2.441 2.777 . 0 0 "[ . 1 . 2]" 1
447 1 46 ALA H 1 47 ALA MB 5.000 . 5.000 4.275 4.096 4.375 . 0 0 "[ . 1 . 2]" 1
448 1 46 ALA H 1 48 LEU H 5.000 . 5.000 3.673 3.533 3.849 . 0 0 "[ . 1 . 2]" 1
449 1 46 ALA H 1 72 PRO HD2 5.000 . 5.000 5.016 5.006 5.038 0.038 9 0 "[ . 1 . 2]" 1
450 1 46 ALA HA 1 49 GLU H 5.000 . 5.000 3.570 3.375 3.664 . 0 0 "[ . 1 . 2]" 1
451 1 46 ALA MB 1 47 ALA H 5.000 . 5.000 2.375 2.153 2.632 . 0 0 "[ . 1 . 2]" 1
452 1 46 ALA MB 1 48 LEU H 5.000 . 5.000 4.193 4.029 4.376 . 0 0 "[ . 1 . 2]" 1
453 1 46 ALA MB 1 49 GLU H 5.000 . 5.000 4.643 4.564 4.736 . 0 0 "[ . 1 . 2]" 1
454 1 46 ALA MB 1 50 SER H 5.000 . 5.000 4.776 4.656 4.870 . 0 0 "[ . 1 . 2]" 1
455 1 47 ALA H 1 47 ALA MB 3.500 . 3.500 2.114 2.048 2.233 . 0 0 "[ . 1 . 2]" 1
456 1 47 ALA H 1 48 LEU H 3.500 . 3.500 2.583 2.490 2.654 . 0 0 "[ . 1 . 2]" 1
457 1 47 ALA H 1 95 PHE QE 5.000 . 5.000 4.288 3.903 4.578 . 0 0 "[ . 1 . 2]" 1
458 1 47 ALA HA 1 50 SER H 5.000 . 5.000 3.565 3.394 3.704 . 0 0 "[ . 1 . 2]" 1
459 1 47 ALA HA 1 67 LEU MD1 5.000 . 5.000 3.917 3.545 4.384 . 0 0 "[ . 1 . 2]" 1
460 1 47 ALA HA 1 95 PHE HZ 3.500 . 3.500 2.115 1.858 2.699 . 0 0 "[ . 1 . 2]" 1
461 1 47 ALA MB 1 67 LEU MD1 5.000 . 5.000 1.790 1.657 2.099 . 0 0 "[ . 1 . 2]" 1
462 1 47 ALA MB 1 67 LEU MD2 5.000 . 5.000 2.664 1.982 3.365 . 0 0 "[ . 1 . 2]" 1
463 1 47 ALA MB 1 95 PHE HZ 5.000 . 5.000 3.329 2.325 4.047 . 0 0 "[ . 1 . 2]" 1
464 1 47 ALA MB 1 99 LEU MD1 5.000 . 5.000 2.400 1.806 3.120 . 0 0 "[ . 1 . 2]" 1
465 1 48 LEU H 1 48 LEU HB2 2.700 . 2.700 2.719 2.714 2.725 0.025 2 0 "[ . 1 . 2]" 1
466 1 48 LEU H 1 48 LEU HB3 3.500 . 3.500 2.307 2.286 2.340 . 0 0 "[ . 1 . 2]" 1
467 1 48 LEU H 1 48 LEU QD 5.000 . 5.000 3.723 3.707 3.748 . 0 0 "[ . 1 . 2]" 1
468 1 48 LEU H 1 49 GLU H 3.500 . 3.500 2.431 2.411 2.456 . 0 0 "[ . 1 . 2]" 1
469 1 48 LEU H 1 49 GLU HA 5.000 . 5.000 5.051 5.043 5.063 0.063 3 0 "[ . 1 . 2]" 1
470 1 48 LEU H 1 67 LEU MD1 3.500 . 3.500 2.913 2.379 3.501 0.001 8 0 "[ . 1 . 2]" 1
471 1 48 LEU HA 1 67 LEU MD1 3.500 . 3.500 2.760 2.445 3.452 . 0 0 "[ . 1 . 2]" 1
472 1 48 LEU MD1 1 51 LEU H 5.000 . 5.000 4.792 4.525 5.002 0.002 2 0 "[ . 1 . 2]" 1
473 1 48 LEU MD1 1 52 ILE HB 5.000 . 5.000 3.134 2.596 3.658 . 0 0 "[ . 1 . 2]" 1
474 1 48 LEU MD1 1 52 ILE MD 5.000 . 5.000 3.964 2.788 5.004 0.004 5 0 "[ . 1 . 2]" 1
475 1 48 LEU MD1 1 68 SER H 5.000 . 5.000 2.866 2.273 3.470 . 0 0 "[ . 1 . 2]" 1
476 1 48 LEU MD2 1 68 SER H 5.000 . 5.000 3.028 2.179 3.508 . 0 0 "[ . 1 . 2]" 1
477 1 48 LEU MD2 1 68 SER HA 5.000 . 5.000 1.884 1.820 2.062 . 0 0 "[ . 1 . 2]" 1
478 1 48 LEU MD2 1 68 SER HB2 5.000 . 5.000 2.207 1.818 2.623 . 0 0 "[ . 1 . 2]" 1
479 1 48 LEU MD2 1 71 CYS H 5.000 . 5.000 3.866 3.611 4.467 . 0 0 "[ . 1 . 2]" 1
480 1 48 LEU MD2 1 71 CYS HB2 5.000 . 5.000 2.306 1.918 3.245 . 0 0 "[ . 1 . 2]" 1
481 1 48 LEU MD2 1 71 CYS HB3 5.000 . 5.000 2.779 2.260 3.481 . 0 0 "[ . 1 . 2]" 1
482 1 48 LEU MD2 1 75 VAL HB 5.000 . 5.000 3.931 1.956 5.004 0.004 6 0 "[ . 1 . 2]" 1
483 1 48 LEU HG 1 49 GLU H 3.500 . 3.500 3.512 3.507 3.519 0.019 11 0 "[ . 1 . 2]" 1
484 1 48 LEU HG 1 75 VAL MG1 5.000 . 5.000 2.855 1.810 4.827 . 0 0 "[ . 1 . 2]" 1
485 1 48 LEU HG 1 75 VAL MG2 5.000 . 5.000 3.812 2.143 4.789 . 0 0 "[ . 1 . 2]" 1
486 1 49 GLU H 1 49 GLU HB3 3.500 . 3.500 2.506 2.359 2.602 . 0 0 "[ . 1 . 2]" 1
487 1 49 GLU H 1 49 GLU HG2 3.500 . 3.500 2.487 2.190 3.455 . 0 0 "[ . 1 . 2]" 1
488 1 49 GLU H 1 49 GLU HG3 3.500 . 3.500 3.061 2.254 3.501 0.001 11 0 "[ . 1 . 2]" 1
489 1 49 GLU H 1 50 SER H 3.500 . 3.500 2.621 2.542 2.709 . 0 0 "[ . 1 . 2]" 1
490 1 49 GLU H 1 75 VAL MG1 5.000 . 5.000 3.108 2.400 4.050 . 0 0 "[ . 1 . 2]" 1
491 1 49 GLU H 1 75 VAL MG2 5.000 . 5.000 3.663 3.068 4.253 . 0 0 "[ . 1 . 2]" 1
492 1 49 GLU HA 1 52 ILE H 5.000 . 5.000 3.760 3.561 3.954 . 0 0 "[ . 1 . 2]" 1
493 1 49 GLU HA 1 52 ILE MG 5.000 . 5.000 2.056 1.908 2.678 . 0 0 "[ . 1 . 2]" 1
494 1 49 GLU HA 1 75 VAL MG1 5.000 . 5.000 2.456 1.826 3.235 . 0 0 "[ . 1 . 2]" 1
495 1 49 GLU QB 1 50 SER H 5.000 . 5.000 3.480 3.349 3.539 . 0 0 "[ . 1 . 2]" 1
496 1 49 GLU HB3 1 75 VAL MG2 5.000 . 5.000 2.171 1.852 3.166 . 0 0 "[ . 1 . 2]" 1
497 1 49 GLU HG2 1 50 SER H 3.500 . 3.500 2.966 2.469 3.519 0.019 7 0 "[ . 1 . 2]" 1
498 1 49 GLU HG2 1 75 VAL MG1 5.000 . 5.000 3.831 3.344 4.847 . 0 0 "[ . 1 . 2]" 1
499 1 49 GLU HG3 1 75 VAL MG1 5.000 . 5.000 4.421 3.944 4.974 . 0 0 "[ . 1 . 2]" 1
500 1 49 GLU HG3 1 75 VAL MG2 5.000 . 5.000 4.391 3.810 5.008 0.008 9 0 "[ . 1 . 2]" 1
501 1 50 SER H 1 50 SER HB2 3.500 . 3.500 3.049 2.124 3.511 0.011 7 0 "[ . 1 . 2]" 1
502 1 50 SER H 1 50 SER HB3 3.500 . 3.500 3.349 2.978 3.517 0.017 1 0 "[ . 1 . 2]" 1
503 1 50 SER H 1 51 LEU H 3.500 . 3.500 2.438 2.345 2.642 . 0 0 "[ . 1 . 2]" 1
504 1 50 SER H 1 51 LEU HG 5.000 . 5.000 4.747 4.439 5.002 0.002 16 0 "[ . 1 . 2]" 1
505 1 50 SER H 1 52 ILE MG 5.000 . 5.000 4.062 3.841 4.293 . 0 0 "[ . 1 . 2]" 1
506 1 50 SER H 1 95 PHE HZ 5.000 . 5.000 3.964 3.358 4.419 . 0 0 "[ . 1 . 2]" 1
507 1 50 SER HA 1 51 LEU H 5.000 . 5.000 3.522 3.494 3.568 . 0 0 "[ . 1 . 2]" 1
508 1 50 SER HB2 1 51 LEU H 3.500 . 3.500 3.101 2.763 3.504 0.004 12 0 "[ . 1 . 2]" 1
509 1 51 LEU H 1 51 LEU HB2 3.500 . 3.500 2.242 2.168 2.351 . 0 0 "[ . 1 . 2]" 1
510 1 51 LEU H 1 51 LEU HB3 3.500 . 3.500 3.514 3.478 3.538 0.038 20 0 "[ . 1 . 2]" 1
511 1 51 LEU H 1 51 LEU MD1 5.000 . 5.000 3.551 3.402 3.671 . 0 0 "[ . 1 . 2]" 1
512 1 51 LEU H 1 51 LEU MD2 5.000 . 5.000 3.910 3.632 4.111 . 0 0 "[ . 1 . 2]" 1
513 1 51 LEU H 1 52 ILE H 3.500 . 3.500 2.585 2.478 2.725 . 0 0 "[ . 1 . 2]" 1
514 1 51 LEU H 1 53 ASN H 5.000 . 5.000 4.074 3.923 4.262 . 0 0 "[ . 1 . 2]" 1
515 1 51 LEU H 1 95 PHE QE 5.000 . 5.000 3.440 3.067 3.887 . 0 0 "[ . 1 . 2]" 1
516 1 51 LEU HA 1 53 ASN H 5.000 . 5.000 3.900 3.689 4.427 . 0 0 "[ . 1 . 2]" 1
517 1 51 LEU HA 1 54 VAL MG2 5.000 . 5.000 2.026 1.824 2.636 . 0 0 "[ . 1 . 2]" 1
518 1 51 LEU HB2 1 64 GLN HE21 5.000 . 5.000 3.486 2.562 4.885 . 0 0 "[ . 1 . 2]" 1
519 1 51 LEU HB2 1 64 GLN HE22 5.000 . 5.000 4.834 4.153 5.005 0.005 20 0 "[ . 1 . 2]" 1
520 1 51 LEU HB3 1 52 ILE H 5.000 . 5.000 3.468 3.206 3.750 . 0 0 "[ . 1 . 2]" 1
521 1 51 LEU MD1 1 95 PHE QE 5.000 . 5.000 2.846 1.964 3.379 . 0 0 "[ . 1 . 2]" 1
522 1 51 LEU MD2 1 54 VAL MG1 5.000 . 5.000 3.860 3.420 4.198 . 0 0 "[ . 1 . 2]" 1
523 1 51 LEU MD2 1 60 ILE MD 5.000 . 5.000 2.164 1.724 3.810 . 0 0 "[ . 1 . 2]" 1
524 1 51 LEU MD2 1 95 PHE QD 5.000 . 5.000 2.914 2.289 3.687 . 0 0 "[ . 1 . 2]" 1
525 1 51 LEU MD2 1 95 PHE QE 3.500 . 3.500 2.982 2.121 3.502 0.002 15 0 "[ . 1 . 2]" 1
526 1 51 LEU HG 1 95 PHE QE 5.000 . 5.000 2.099 1.929 2.493 . 0 0 "[ . 1 . 2]" 1
527 1 52 ILE H 1 52 ILE HB 3.500 . 3.500 2.476 2.370 2.552 . 0 0 "[ . 1 . 2]" 1
528 1 52 ILE H 1 52 ILE HG12 5.000 . 5.000 4.526 4.330 4.684 . 0 0 "[ . 1 . 2]" 1
529 1 52 ILE H 1 53 ASN H 3.500 . 3.500 2.679 2.582 2.735 . 0 0 "[ . 1 . 2]" 1
530 1 52 ILE HA 1 53 ASN H 5.000 . 5.000 3.472 3.452 3.537 . 0 0 "[ . 1 . 2]" 1
531 1 52 ILE HA 1 54 VAL H 5.000 . 5.000 3.813 3.531 4.219 . 0 0 "[ . 1 . 2]" 1
532 1 52 ILE HA 1 64 GLN HE21 3.500 . 3.500 2.388 1.964 3.065 . 0 0 "[ . 1 . 2]" 1
533 1 52 ILE HA 1 64 GLN HE22 3.500 . 3.500 2.363 1.980 3.482 . 0 0 "[ . 1 . 2]" 1
534 1 52 ILE HB 1 53 ASN H 5.000 . 5.000 4.044 3.885 4.147 . 0 0 "[ . 1 . 2]" 1
535 1 52 ILE MD 1 75 VAL MG2 5.000 . 5.000 4.866 4.381 5.009 0.009 2 0 "[ . 1 . 2]" 1
536 1 52 ILE MD 1 76 SER HA 5.000 . 5.000 2.586 1.835 3.914 . 0 0 "[ . 1 . 2]" 1
537 1 52 ILE MD 1 77 ALA H 3.500 . 3.500 2.691 1.941 3.502 0.002 6 0 "[ . 1 . 2]" 1
538 1 52 ILE MD 1 77 ALA MB 5.000 . 5.000 2.874 1.757 4.721 . 0 0 "[ . 1 . 2]" 1
539 1 52 ILE HG12 1 53 ASN H 5.000 . 5.000 4.522 3.813 4.917 . 0 0 "[ . 1 . 2]" 1
540 1 52 ILE HG13 1 77 ALA H 5.000 . 5.000 4.570 3.488 5.010 0.010 16 0 "[ . 1 . 2]" 1
541 1 52 ILE MG 1 53 ASN H 5.000 . 5.000 2.103 1.934 2.339 . 0 0 "[ . 1 . 2]" 1
542 1 52 ILE MG 1 53 ASN HD21 5.000 . 5.000 2.709 1.892 4.843 . 0 0 "[ . 1 . 2]" 1
543 1 52 ILE MG 1 53 ASN HD22 5.000 . 5.000 3.405 2.853 4.642 . 0 0 "[ . 1 . 2]" 1
544 1 52 ILE MG 1 77 ALA HA 5.000 . 5.000 3.416 2.501 5.001 0.001 19 0 "[ . 1 . 2]" 1
545 1 52 ILE MG 1 78 GLY H 5.000 . 5.000 4.416 2.487 5.008 0.008 2 0 "[ . 1 . 2]" 1
546 1 53 ASN H 1 53 ASN HB2 3.500 . 3.500 2.209 2.146 2.630 . 0 0 "[ . 1 . 2]" 1
547 1 53 ASN H 1 53 ASN HB3 3.500 . 3.500 3.472 3.361 3.544 0.044 1 0 "[ . 1 . 2]" 1
548 1 53 ASN H 1 53 ASN HD21 5.000 . 5.000 3.145 2.263 4.507 . 0 0 "[ . 1 . 2]" 1
549 1 53 ASN H 1 53 ASN HD22 5.000 . 5.000 4.422 3.852 5.003 0.003 12 0 "[ . 1 . 2]" 1
550 1 53 ASN H 1 54 VAL H 3.500 . 3.500 2.556 2.361 2.795 . 0 0 "[ . 1 . 2]" 1
551 1 53 ASN H 1 54 VAL MG2 5.000 . 5.000 3.536 3.112 3.823 . 0 0 "[ . 1 . 2]" 1
552 1 53 ASN HA 1 54 VAL H 3.500 . 3.500 3.363 2.970 3.497 . 0 0 "[ . 1 . 2]" 1
553 1 53 ASN HA 1 77 ALA MB 5.000 . 5.000 4.603 2.494 5.008 0.008 9 0 "[ . 1 . 2]" 1
554 1 53 ASN HB2 1 54 VAL H 5.000 . 5.000 3.404 3.027 4.210 . 0 0 "[ . 1 . 2]" 1
555 1 53 ASN HB3 1 54 VAL H 5.000 . 5.000 3.805 3.489 4.254 . 0 0 "[ . 1 . 2]" 1
556 1 53 ASN HD22 1 78 GLY H 5.000 . 5.000 4.448 1.993 5.010 0.010 11 0 "[ . 1 . 2]" 1
557 1 54 VAL H 1 54 VAL HB 3.500 . 3.500 2.605 2.500 2.661 . 0 0 "[ . 1 . 2]" 1
558 1 54 VAL H 1 54 VAL MG2 3.500 . 3.500 2.052 1.941 2.365 . 0 0 "[ . 1 . 2]" 1
559 1 54 VAL H 1 55 SER H 5.000 . 5.000 4.573 4.397 4.619 . 0 0 "[ . 1 . 2]" 1
560 1 54 VAL H 1 64 GLN HE22 5.000 . 5.000 4.399 3.584 5.003 0.003 16 0 "[ . 1 . 2]" 1
561 1 54 VAL HA 1 55 SER H 2.700 . 2.700 2.196 2.147 2.226 . 0 0 "[ . 1 . 2]" 1
562 1 54 VAL HB 1 55 SER H 5.000 . 5.000 4.012 3.899 4.336 . 0 0 "[ . 1 . 2]" 1
563 1 54 VAL HB 1 64 GLN HE21 5.000 . 5.000 4.294 3.247 5.001 0.001 13 0 "[ . 1 . 2]" 1
564 1 54 VAL MG1 1 55 SER H 5.000 . 5.000 2.375 2.118 3.023 . 0 0 "[ . 1 . 2]" 1
565 1 54 VAL MG1 1 57 CYS H 3.500 . 3.500 3.500 3.449 3.508 0.008 1 0 "[ . 1 . 2]" 1
566 1 54 VAL MG1 1 57 CYS HB2 5.000 . 5.000 2.130 1.815 2.439 . 0 0 "[ . 1 . 2]" 1
567 1 54 VAL MG1 1 57 CYS HB3 3.500 . 3.500 3.182 2.583 3.502 0.002 5 0 "[ . 1 . 2]" 1
568 1 54 VAL MG2 1 55 SER H 5.000 . 5.000 4.005 3.894 4.194 . 0 0 "[ . 1 . 2]" 1
569 1 54 VAL MG2 1 96 VAL MG2 5.000 . 5.000 4.984 4.803 5.014 0.014 11 0 "[ . 1 . 2]" 1
570 1 55 SER H 1 55 SER QB 3.500 . 3.500 2.994 2.649 3.304 . 0 0 "[ . 1 . 2]" 1
571 1 55 SER H 1 56 GLY H 5.000 . 5.000 4.259 4.039 4.440 . 0 0 "[ . 1 . 2]" 1
572 1 55 SER HA 1 56 GLY H 2.700 . 2.700 2.170 2.142 2.307 . 0 0 "[ . 1 . 2]" 1
573 1 55 SER QB 1 56 GLY H 3.500 . 3.500 3.167 2.653 3.402 . 0 0 "[ . 1 . 2]" 1
574 1 55 SER QB 1 57 CYS H 5.000 . 5.000 4.921 4.618 5.004 0.004 1 0 "[ . 1 . 2]" 1
575 1 56 GLY H 1 57 CYS H 3.500 . 3.500 2.214 1.975 2.672 . 0 0 "[ . 1 . 2]" 1
576 1 57 CYS H 1 57 CYS HB2 3.500 . 3.500 2.571 2.460 2.734 . 0 0 "[ . 1 . 2]" 1
577 1 57 CYS H 1 57 CYS HB3 3.500 . 3.500 3.516 3.371 3.544 0.044 9 0 "[ . 1 . 2]" 1
578 1 57 CYS H 1 58 SER HB2 3.500 . 3.500 3.515 3.504 3.525 0.025 10 0 "[ . 1 . 2]" 1
579 1 57 CYS HB2 1 60 ILE H 5.000 . 5.000 4.957 4.634 5.009 0.009 9 0 "[ . 1 . 2]" 1
580 1 57 CYS HB3 1 60 ILE H 5.000 . 5.000 3.533 3.048 3.817 . 0 0 "[ . 1 . 2]" 1
581 1 58 SER HA 1 58 SER QB 2.700 . 2.700 2.515 2.507 2.521 . 0 0 "[ . 1 . 2]" 1
582 1 58 SER HA 1 61 GLU HG3 3.500 . 3.500 2.647 1.991 3.375 . 0 0 "[ . 1 . 2]" 1
583 1 58 SER QB 1 59 ALA H 5.000 . 5.000 3.569 2.463 3.692 . 0 0 "[ . 1 . 2]" 1
584 1 59 ALA H 1 59 ALA MB 3.500 . 3.500 2.243 2.140 2.312 . 0 0 "[ . 1 . 2]" 1
585 1 59 ALA H 1 60 ILE H 3.500 . 3.500 2.327 2.203 2.851 . 0 0 "[ . 1 . 2]" 1
586 1 59 ALA H 1 61 GLU H 5.000 . 5.000 3.803 3.386 4.139 . 0 0 "[ . 1 . 2]" 1
587 1 59 ALA HA 1 60 ILE H 3.500 . 3.500 3.443 3.251 3.512 0.012 17 0 "[ . 1 . 2]" 1
588 1 59 ALA HA 1 60 ILE HA 5.000 . 5.000 4.681 4.556 4.763 . 0 0 "[ . 1 . 2]" 1
589 1 59 ALA MB 1 60 ILE H 5.000 . 5.000 2.822 2.543 3.322 . 0 0 "[ . 1 . 2]" 1
590 1 60 ILE H 1 60 ILE HB 3.500 . 3.500 3.550 3.528 3.568 0.068 14 0 "[ . 1 . 2]" 1
591 1 60 ILE H 1 60 ILE MD 3.500 . 3.500 3.151 1.977 3.519 0.019 1 0 "[ . 1 . 2]" 1
592 1 60 ILE H 1 60 ILE HG12 3.500 . 3.500 2.991 2.354 3.439 . 0 0 "[ . 1 . 2]" 1
593 1 60 ILE H 1 60 ILE HG13 5.000 . 5.000 1.829 1.729 1.904 . 0 0 "[ . 1 . 2]" 1
594 1 60 ILE H 1 61 GLU H 3.500 . 3.500 2.461 1.986 2.774 . 0 0 "[ . 1 . 2]" 1
595 1 60 ILE HA 1 60 ILE MG 3.500 . 3.500 2.245 2.006 2.363 . 0 0 "[ . 1 . 2]" 1
596 1 60 ILE HA 1 61 GLU H 3.500 . 3.500 3.309 3.132 3.459 . 0 0 "[ . 1 . 2]" 1
597 1 60 ILE HA 1 63 THR HB 3.500 . 3.500 3.310 2.754 3.501 0.001 12 0 "[ . 1 . 2]" 1
598 1 60 ILE HB 1 63 THR HB 5.000 . 5.000 2.925 2.256 3.937 . 0 0 "[ . 1 . 2]" 1
599 1 60 ILE MD 1 61 GLU H 3.500 . 3.500 3.188 2.085 3.515 0.015 7 0 "[ . 1 . 2]" 1
600 1 60 ILE MD 1 64 GLN HE21 3.500 . 3.500 2.605 1.857 3.452 . 0 0 "[ . 1 . 2]" 1
601 1 60 ILE MD 1 64 GLN HE22 3.500 . 3.500 2.662 1.930 3.173 . 0 0 "[ . 1 . 2]" 1
602 1 60 ILE HG12 1 61 GLU H 5.000 . 5.000 4.563 3.790 5.000 0.000 14 0 "[ . 1 . 2]" 1
603 1 60 ILE HG13 1 61 GLU H 3.500 . 3.500 3.054 2.177 3.513 0.013 16 0 "[ . 1 . 2]" 1
604 1 60 ILE MG 1 61 GLU H 5.000 . 5.000 4.286 4.195 4.389 . 0 0 "[ . 1 . 2]" 1
605 1 61 GLU H 1 61 GLU HB2 2.700 . 2.700 2.206 2.199 2.266 . 0 0 "[ . 1 . 2]" 1
606 1 61 GLU H 1 61 GLU HB3 3.500 . 3.500 3.505 3.502 3.524 0.024 3 0 "[ . 1 . 2]" 1
607 1 61 GLU H 1 61 GLU HG2 3.500 . 3.500 3.418 3.110 3.502 0.002 1 0 "[ . 1 . 2]" 1
608 1 61 GLU H 1 61 GLU HG3 3.500 . 3.500 3.181 2.860 3.500 0.000 2 0 "[ . 1 . 2]" 1
609 1 61 GLU H 1 62 LYS H 3.500 . 3.500 2.973 2.808 3.138 . 0 0 "[ . 1 . 2]" 1
610 1 61 GLU H 1 64 GLN H 5.000 . 5.000 4.656 4.473 4.796 . 0 0 "[ . 1 . 2]" 1
611 1 61 GLU HA 1 61 GLU HG2 3.500 . 3.500 2.090 2.046 2.164 . 0 0 "[ . 1 . 2]" 1
612 1 61 GLU HA 1 62 LYS H 3.500 . 3.500 3.523 3.512 3.536 0.036 11 0 "[ . 1 . 2]" 1
613 1 61 GLU HA 1 64 GLN HB2 5.000 . 5.000 2.398 2.129 2.709 . 0 0 "[ . 1 . 2]" 1
614 1 61 GLU HA 1 64 GLN HB3 5.000 . 5.000 3.783 3.434 4.056 . 0 0 "[ . 1 . 2]" 1
615 1 61 GLU QB 1 62 LYS H 3.500 . 3.500 2.662 2.484 2.770 . 0 0 "[ . 1 . 2]" 1
616 1 61 GLU HB3 1 62 LYS H 3.500 . 3.500 3.123 2.782 3.428 . 0 0 "[ . 1 . 2]" 1
617 1 61 GLU HG3 1 62 LYS H 5.000 . 5.000 4.938 4.804 5.005 0.005 1 0 "[ . 1 . 2]" 1
618 1 62 LYS H 1 62 LYS HB2 2.700 . 2.700 2.181 2.072 2.200 . 0 0 "[ . 1 . 2]" 1
619 1 62 LYS H 1 62 LYS HB3 3.500 . 3.500 3.470 3.203 3.502 0.002 10 0 "[ . 1 . 2]" 1
620 1 62 LYS H 1 62 LYS QD 5.000 . 5.000 3.953 2.088 4.616 . 0 0 "[ . 1 . 2]" 1
621 1 62 LYS H 1 62 LYS QG 3.500 . 3.500 3.006 2.808 3.501 0.001 12 0 "[ . 1 . 2]" 1
622 1 62 LYS HA 1 62 LYS HG2 3.500 . 3.500 2.588 2.116 3.492 . 0 0 "[ . 1 . 2]" 1
623 1 62 LYS QB 1 63 THR H 5.000 . 5.000 2.524 2.390 2.630 . 0 0 "[ . 1 . 2]" 1
624 1 62 LYS HB3 1 63 THR H 3.500 . 3.500 3.050 2.505 3.229 . 0 0 "[ . 1 . 2]" 1
625 1 63 THR H 1 63 THR HB 3.500 . 3.500 2.335 2.074 2.423 . 0 0 "[ . 1 . 2]" 1
626 1 63 THR H 1 64 GLN H 3.500 . 3.500 2.591 2.522 2.688 . 0 0 "[ . 1 . 2]" 1
627 1 63 THR HA 1 63 THR MG 3.500 . 3.500 2.644 2.470 3.164 . 0 0 "[ . 1 . 2]" 1
628 1 63 THR HA 1 66 MET H 5.000 . 5.000 3.699 3.554 3.824 . 0 0 "[ . 1 . 2]" 1
629 1 63 THR HA 1 66 MET HB3 3.500 . 3.500 3.509 3.502 3.518 0.018 7 0 "[ . 1 . 2]" 1
630 1 63 THR HA 1 67 LEU MD2 5.000 . 5.000 4.995 4.908 5.010 0.010 3 0 "[ . 1 . 2]" 1
631 1 63 THR HB 1 64 GLN H 3.500 . 3.500 2.969 2.754 3.514 0.014 8 0 "[ . 1 . 2]" 1
632 1 63 THR MG 1 64 GLN H 3.500 . 3.500 3.247 1.969 3.513 0.013 3 0 "[ . 1 . 2]" 1
633 1 64 GLN H 1 64 GLN HB2 3.500 . 3.500 2.287 2.078 2.547 . 0 0 "[ . 1 . 2]" 1
634 1 64 GLN H 1 64 GLN HG2 5.000 . 5.000 3.817 3.168 4.439 . 0 0 "[ . 1 . 2]" 1
635 1 64 GLN H 1 64 GLN HG3 3.500 . 3.500 2.816 2.102 3.505 0.005 20 0 "[ . 1 . 2]" 1
636 1 64 GLN HA 1 65 ARG H 5.000 . 5.000 3.569 3.560 3.576 . 0 0 "[ . 1 . 2]" 1
637 1 64 GLN HA 1 67 LEU H 5.000 . 5.000 3.663 3.586 3.732 . 0 0 "[ . 1 . 2]" 1
638 1 64 GLN HA 1 67 LEU MD1 5.000 . 5.000 2.833 2.367 3.338 . 0 0 "[ . 1 . 2]" 1
639 1 64 GLN HB3 1 65 ARG H 3.500 . 3.500 2.940 2.571 3.316 . 0 0 "[ . 1 . 2]" 1
640 1 64 GLN HE21 1 64 GLN HG2 3.500 . 3.500 2.248 2.116 2.351 . 0 0 "[ . 1 . 2]" 1
641 1 64 GLN HE22 1 64 GLN HG2 3.500 . 3.500 3.486 3.436 3.516 0.016 9 0 "[ . 1 . 2]" 1
642 1 65 ARG H 1 65 ARG HA 2.700 . 2.700 2.752 2.745 2.765 0.065 13 0 "[ . 1 . 2]" 1
643 1 65 ARG H 1 65 ARG HG2 3.500 . 3.500 2.859 2.153 3.522 0.022 13 0 "[ . 1 . 2]" 1
644 1 65 ARG H 1 66 MET H 3.500 . 3.500 2.824 2.695 2.891 . 0 0 "[ . 1 . 2]" 1
645 1 65 ARG HA 1 68 SER H 5.000 . 5.000 3.319 3.199 3.528 . 0 0 "[ . 1 . 2]" 1
646 1 65 ARG HB3 1 65 ARG HD3 3.500 . 3.500 2.879 2.021 3.505 0.005 3 0 "[ . 1 . 2]" 1
647 1 65 ARG HB3 1 66 MET H 3.500 . 3.500 3.343 3.015 3.544 0.044 13 0 "[ . 1 . 2]" 1
648 1 65 ARG HG2 1 66 MET H 5.000 . 5.000 3.927 1.967 4.917 . 0 0 "[ . 1 . 2]" 1
649 1 65 ARG HG3 1 66 MET H 5.000 . 5.000 3.953 1.809 4.886 . 0 0 "[ . 1 . 2]" 1
650 1 66 MET H 1 66 MET HB2 3.500 . 3.500 2.906 2.124 3.535 0.035 13 0 "[ . 1 . 2]" 1
651 1 66 MET H 1 66 MET HG2 3.500 . 3.500 3.229 2.426 3.509 0.009 18 0 "[ . 1 . 2]" 1
652 1 66 MET H 1 66 MET HG3 3.500 . 3.500 3.233 2.899 3.523 0.023 13 0 "[ . 1 . 2]" 1
653 1 66 MET H 1 67 LEU H 3.500 . 3.500 2.724 2.573 2.756 . 0 0 "[ . 1 . 2]" 1
654 1 66 MET H 1 67 LEU HB2 5.000 . 5.000 4.708 4.520 4.752 . 0 0 "[ . 1 . 2]" 1
655 1 66 MET H 1 68 SER H 5.000 . 5.000 4.245 4.112 4.371 . 0 0 "[ . 1 . 2]" 1
656 1 66 MET HA 1 67 LEU H 3.500 . 3.500 3.500 3.481 3.508 0.008 5 0 "[ . 1 . 2]" 1
657 1 66 MET QB 1 67 LEU H 5.000 . 5.000 3.158 2.696 3.517 . 0 0 "[ . 1 . 2]" 1
658 1 66 MET HG2 1 67 LEU H 5.000 . 5.000 4.029 2.467 4.943 . 0 0 "[ . 1 . 2]" 1
659 1 66 MET HG3 1 67 LEU H 5.000 . 5.000 3.469 2.041 5.007 0.007 10 0 "[ . 1 . 2]" 1
660 1 67 LEU H 1 67 LEU HB2 3.500 . 3.500 2.232 2.188 2.286 . 0 0 "[ . 1 . 2]" 1
661 1 67 LEU H 1 67 LEU HB3 3.500 . 3.500 3.512 3.489 3.525 0.025 14 0 "[ . 1 . 2]" 1
662 1 67 LEU H 1 67 LEU MD2 5.000 . 5.000 3.779 3.638 3.927 . 0 0 "[ . 1 . 2]" 1
663 1 67 LEU H 1 67 LEU HG 5.000 . 5.000 2.814 2.589 2.975 . 0 0 "[ . 1 . 2]" 1
664 1 67 LEU H 1 68 SER H 3.500 . 3.500 2.526 2.460 2.621 . 0 0 "[ . 1 . 2]" 1
665 1 67 LEU H 1 69 GLY H 5.000 . 5.000 4.138 4.042 4.226 . 0 0 "[ . 1 . 2]" 1
666 1 67 LEU HA 1 70 PHE QD 5.000 . 5.000 3.718 2.596 4.451 . 0 0 "[ . 1 . 2]" 1
667 1 67 LEU HB2 1 68 SER H 3.500 . 3.500 2.705 2.560 2.801 . 0 0 "[ . 1 . 2]" 1
668 1 67 LEU HB3 1 68 SER H 3.500 . 3.500 3.382 3.234 3.500 0.000 5 0 "[ . 1 . 2]" 1
669 1 67 LEU MD1 1 68 SER H 5.000 . 5.000 4.594 4.440 4.702 . 0 0 "[ . 1 . 2]" 1
670 1 67 LEU MD2 1 70 PHE H 5.000 . 5.000 4.817 4.598 5.004 0.004 3 0 "[ . 1 . 2]" 1
671 1 67 LEU HG 1 68 SER H 5.000 . 5.000 4.655 4.530 4.736 . 0 0 "[ . 1 . 2]" 1
672 1 68 SER H 1 68 SER HB3 2.700 . 2.700 2.472 2.263 2.701 0.001 13 0 "[ . 1 . 2]" 1
673 1 68 SER H 1 69 GLY H 3.500 . 3.500 2.740 2.669 2.831 . 0 0 "[ . 1 . 2]" 1
674 1 68 SER H 1 70 PHE H 5.000 . 5.000 4.115 4.052 4.213 . 0 0 "[ . 1 . 2]" 1
675 1 68 SER HA 1 69 GLY H 3.500 . 3.500 3.523 3.518 3.528 0.028 16 0 "[ . 1 . 2]" 1
676 1 68 SER HB3 1 69 GLY H 5.000 . 5.000 3.088 2.427 3.778 . 0 0 "[ . 1 . 2]" 1
677 1 69 GLY H 1 69 GLY HA2 2.700 . 2.700 2.737 2.729 2.747 0.047 16 0 "[ . 1 . 2]" 1
678 1 69 GLY H 1 70 PHE HB2 5.000 . 5.000 4.957 4.866 5.005 0.005 10 0 "[ . 1 . 2]" 1
679 1 69 GLY H 1 70 PHE QD 5.000 . 5.000 4.373 3.600 5.001 0.001 14 0 "[ . 1 . 2]" 1
680 1 69 GLY HA2 1 70 PHE H 3.500 . 3.500 3.469 3.456 3.478 . 0 0 "[ . 1 . 2]" 1
681 1 69 GLY HA2 1 71 CYS H 5.000 . 5.000 4.531 4.339 4.656 . 0 0 "[ . 1 . 2]" 1
682 1 69 GLY HA3 1 70 PHE H 3.500 . 3.500 3.010 2.973 3.047 . 0 0 "[ . 1 . 2]" 1
683 1 69 GLY HA3 1 71 CYS H 5.000 . 5.000 4.734 4.667 4.883 . 0 0 "[ . 1 . 2]" 1
684 1 70 PHE H 1 70 PHE HB2 3.500 . 3.500 2.395 2.325 2.476 . 0 0 "[ . 1 . 2]" 1
685 1 70 PHE H 1 70 PHE QD 3.500 . 3.500 2.857 2.262 3.404 . 0 0 "[ . 1 . 2]" 1
686 1 70 PHE H 1 71 CYS HB2 5.000 . 5.000 4.471 3.964 4.768 . 0 0 "[ . 1 . 2]" 1
687 1 70 PHE H 1 71 CYS HB3 5.000 . 5.000 4.205 3.855 4.857 . 0 0 "[ . 1 . 2]" 1
688 1 70 PHE HA 1 71 CYS H 3.500 . 3.500 3.464 3.412 3.503 0.003 9 0 "[ . 1 . 2]" 1
689 1 70 PHE HB2 1 71 CYS H 3.500 . 3.500 3.084 2.903 3.313 . 0 0 "[ . 1 . 2]" 1
690 1 70 PHE QD 1 71 CYS H 5.000 . 5.000 4.450 4.075 4.748 . 0 0 "[ . 1 . 2]" 1
691 1 71 CYS H 1 71 CYS HB2 3.500 . 3.500 2.635 2.162 2.937 . 0 0 "[ . 1 . 2]" 1
692 1 71 CYS H 1 71 CYS HB3 3.500 . 3.500 2.453 2.185 2.979 . 0 0 "[ . 1 . 2]" 1
693 1 71 CYS H 1 72 PRO HD3 5.000 . 5.000 4.500 4.132 5.005 0.005 9 0 "[ . 1 . 2]" 1
694 1 71 CYS HA 1 72 PRO HD2 3.500 . 3.500 2.041 1.806 2.257 . 0 0 "[ . 1 . 2]" 1
695 1 71 CYS HA 1 72 PRO HD3 3.500 . 3.500 2.495 2.209 2.884 . 0 0 "[ . 1 . 2]" 1
696 1 71 CYS HA 1 73 HIS H 5.000 . 5.000 4.055 3.591 4.308 . 0 0 "[ . 1 . 2]" 1
697 1 71 CYS HB3 1 73 HIS H 5.000 . 5.000 4.381 3.560 5.004 0.004 7 0 "[ . 1 . 2]" 1
698 1 72 PRO HA 1 73 HIS H 3.500 . 3.500 3.162 2.680 3.537 0.037 5 0 "[ . 1 . 2]" 1
699 1 72 PRO HB2 1 73 HIS H 5.000 . 5.000 3.648 2.316 4.380 . 0 0 "[ . 1 . 2]" 1
700 1 72 PRO HB3 1 72 PRO HD3 3.500 . 3.500 3.019 2.942 3.101 . 0 0 "[ . 1 . 2]" 1
701 1 72 PRO HB3 1 73 HIS H 5.000 . 5.000 4.330 3.694 4.684 . 0 0 "[ . 1 . 2]" 1
702 1 72 PRO HD2 1 73 HIS H 5.000 . 5.000 3.536 2.395 4.354 . 0 0 "[ . 1 . 2]" 1
703 1 72 PRO HG2 1 73 HIS H 5.000 . 5.000 3.409 2.177 4.594 . 0 0 "[ . 1 . 2]" 1
704 1 73 HIS H 1 73 HIS HB2 3.500 . 3.500 2.835 2.241 3.213 . 0 0 "[ . 1 . 2]" 1
705 1 73 HIS H 1 74 LYS H 5.000 . 5.000 4.245 3.098 4.518 . 0 0 "[ . 1 . 2]" 1
706 1 73 HIS HA 1 74 LYS H 3.500 . 3.500 2.847 2.537 3.504 0.004 13 0 "[ . 1 . 2]" 1
707 1 73 HIS HB2 1 74 LYS H 3.500 . 3.500 3.183 2.127 3.508 0.008 18 0 "[ . 1 . 2]" 1
708 1 74 LYS H 1 74 LYS HB2 3.500 . 3.500 2.478 2.191 3.118 . 0 0 "[ . 1 . 2]" 1
709 1 74 LYS H 1 74 LYS HD3 5.000 . 5.000 4.428 3.438 5.008 0.008 13 0 "[ . 1 . 2]" 1
710 1 74 LYS H 1 74 LYS HG3 5.000 . 5.000 4.533 4.157 5.015 0.015 13 0 "[ . 1 . 2]" 1
711 1 74 LYS HA 1 74 LYS QB 2.700 . 2.700 2.505 2.407 2.541 . 0 0 "[ . 1 . 2]" 1
712 1 74 LYS HA 1 75 VAL H 2.700 . 2.700 2.240 2.142 2.511 . 0 0 "[ . 1 . 2]" 1
713 1 74 LYS QB 1 75 VAL H 3.500 . 3.500 3.199 2.350 3.508 0.008 4 0 "[ . 1 . 2]" 1
714 1 74 LYS HD2 1 75 VAL H 5.000 . 5.000 4.074 2.595 5.000 0.000 12 0 "[ . 1 . 2]" 1
715 1 74 LYS HG2 1 75 VAL H 5.000 . 5.000 4.231 2.349 5.001 0.001 3 0 "[ . 1 . 2]" 1
716 1 74 LYS HG3 1 75 VAL H 5.000 . 5.000 3.786 1.991 5.007 0.007 7 0 "[ . 1 . 2]" 1
717 1 75 VAL H 1 75 VAL HB 3.500 . 3.500 3.330 2.929 3.521 0.021 9 0 "[ . 1 . 2]" 1
718 1 75 VAL H 1 76 SER H 3.500 . 3.500 3.527 3.518 3.543 0.043 9 0 "[ . 1 . 2]" 1
719 1 75 VAL HA 1 75 VAL MG1 3.500 . 3.500 2.773 1.925 3.203 . 0 0 "[ . 1 . 2]" 1
720 1 75 VAL HA 1 76 SER H 2.700 . 2.700 2.223 2.198 2.272 . 0 0 "[ . 1 . 2]" 1
721 1 75 VAL QG 1 76 SER H 3.500 . 3.500 3.226 3.072 3.509 0.009 10 0 "[ . 1 . 2]" 1
722 1 75 VAL MG1 1 76 SER H 5.000 . 5.000 3.832 3.240 4.190 . 0 0 "[ . 1 . 2]" 1
723 1 76 SER H 1 76 SER HB2 3.500 . 3.500 3.101 2.548 3.544 0.044 6 0 "[ . 1 . 2]" 1
724 1 76 SER H 1 76 SER HB3 3.500 . 3.500 2.974 2.501 3.656 0.156 12 0 "[ . 1 . 2]" 1
725 1 76 SER H 1 77 ALA H 3.500 . 3.500 3.672 3.658 3.682 0.182 16 0 "[ . 1 . 2]" 1
726 1 76 SER HA 1 77 ALA H 2.700 . 2.700 2.527 1.845 2.890 0.190 20 0 "[ . 1 . 2]" 1
727 1 76 SER HB2 1 77 ALA H 3.500 . 3.500 3.123 1.882 3.545 0.045 9 0 "[ . 1 . 2]" 1
728 1 76 SER HB3 1 77 ALA H 3.500 . 3.500 2.627 1.886 3.641 0.141 9 0 "[ . 1 . 2]" 1
729 1 77 ALA H 1 77 ALA MB 3.500 . 3.500 2.384 2.097 2.789 . 0 0 "[ . 1 . 2]" 1
730 1 77 ALA HA 1 78 GLY H 3.500 . 3.500 2.623 2.150 3.528 0.028 19 0 "[ . 1 . 2]" 1
731 1 77 ALA MB 1 78 GLY H 5.000 . 5.000 3.008 1.922 3.722 . 0 0 "[ . 1 . 2]" 1
732 1 78 GLY H 1 78 GLY HA3 2.700 . 2.700 2.583 2.296 2.733 0.033 19 0 "[ . 1 . 2]" 1
733 1 78 GLY H 1 79 GLN H 3.500 . 3.500 2.949 1.956 3.504 0.004 8 0 "[ . 1 . 2]" 1
734 1 78 GLY HA2 1 79 GLN H 3.500 . 3.500 2.987 2.250 3.522 0.022 5 0 "[ . 1 . 2]" 1
735 1 78 GLY HA3 1 79 GLN H 3.500 . 3.500 3.128 2.161 3.504 0.004 7 0 "[ . 1 . 2]" 1
736 1 79 GLN H 1 79 GLN QB 3.500 . 3.500 2.882 2.289 3.406 . 0 0 "[ . 1 . 2]" 1
737 1 79 GLN H 1 79 GLN HG2 5.000 . 5.000 3.677 1.993 4.650 . 0 0 "[ . 1 . 2]" 1
738 1 79 GLN H 1 79 GLN HG3 5.000 . 5.000 3.526 2.300 4.998 . 0 0 "[ . 1 . 2]" 1
739 1 79 GLN H 1 80 PHE H 5.000 . 5.000 3.971 2.341 4.617 . 0 0 "[ . 1 . 2]" 1
740 1 79 GLN HA 1 80 PHE H 2.700 . 2.700 2.472 2.141 2.704 0.004 4 0 "[ . 1 . 2]" 1
741 1 79 GLN QB 1 79 GLN HE22 5.000 . 5.000 3.774 3.156 4.156 . 0 0 "[ . 1 . 2]" 1
742 1 79 GLN HE21 1 79 GLN HG2 3.500 . 3.500 2.879 2.119 3.511 0.011 3 0 "[ . 1 . 2]" 1
743 1 80 PHE H 1 80 PHE HB3 3.500 . 3.500 3.189 2.315 3.537 0.037 15 0 "[ . 1 . 2]" 1
744 1 80 PHE H 1 80 PHE QD 3.500 . 3.500 2.493 1.943 3.311 . 0 0 "[ . 1 . 2]" 1
745 1 80 PHE QD 1 83 LEU MD2 5.000 . 5.000 4.560 2.966 5.003 0.003 5 0 "[ . 1 . 2]" 1
746 1 82 SER HA 1 83 LEU H 3.500 . 3.500 2.917 2.167 3.540 0.040 8 0 "[ . 1 . 2]" 1
747 1 83 LEU H 1 83 LEU HB2 3.500 . 3.500 2.833 2.155 3.504 0.004 5 0 "[ . 1 . 2]" 1
748 1 83 LEU H 1 83 LEU MD1 5.000 . 5.000 3.524 2.280 4.450 . 0 0 "[ . 1 . 2]" 1
749 1 83 LEU H 1 83 LEU HG 5.000 . 5.000 3.713 2.189 4.687 . 0 0 "[ . 1 . 2]" 1
750 1 83 LEU H 1 84 HIS H 5.000 . 5.000 3.516 2.038 4.595 . 0 0 "[ . 1 . 2]" 1
751 1 83 LEU HA 1 84 HIS H 3.500 . 3.500 2.583 2.152 3.502 0.002 15 0 "[ . 1 . 2]" 1
752 1 83 LEU HA 1 85 VAL H 5.000 . 5.000 4.162 3.294 5.002 0.002 10 0 "[ . 1 . 2]" 1
753 1 83 LEU HB2 1 84 HIS H 5.000 . 5.000 4.050 2.681 4.606 . 0 0 "[ . 1 . 2]" 1
754 1 84 HIS H 1 85 VAL H 3.500 . 3.500 2.587 1.949 3.512 0.012 8 0 "[ . 1 . 2]" 1
755 1 84 HIS HA 1 85 VAL H 3.500 . 3.500 2.990 2.234 3.535 0.035 6 0 "[ . 1 . 2]" 1
756 1 85 VAL H 1 85 VAL HB 3.500 . 3.500 3.366 2.716 3.548 0.048 17 0 "[ . 1 . 2]" 1
757 1 85 VAL H 1 85 VAL MG1 3.500 . 3.500 2.809 1.896 3.488 . 0 0 "[ . 1 . 2]" 1
758 1 85 VAL H 1 86 ARG H 3.500 . 3.500 2.844 1.987 3.505 0.005 8 0 "[ . 1 . 2]" 1
759 1 85 VAL HA 1 85 VAL MG1 3.500 . 3.500 2.675 2.019 3.207 . 0 0 "[ . 1 . 2]" 1
760 1 85 VAL HA 1 86 ARG H 3.500 . 3.500 3.019 2.188 3.527 0.027 20 0 "[ . 1 . 2]" 1
761 1 86 ARG H 1 87 ASP H 5.000 . 5.000 4.082 2.739 4.596 . 0 0 "[ . 1 . 2]" 1
762 1 87 ASP H 1 87 ASP HB2 3.500 . 3.500 2.732 2.248 3.513 0.013 16 0 "[ . 1 . 2]" 1
763 1 87 ASP H 1 88 THR H 3.500 . 3.500 2.768 1.883 3.246 . 0 0 "[ . 1 . 2]" 1
764 1 87 ASP HA 1 88 THR H 3.500 . 3.500 3.489 3.310 3.525 0.025 3 0 "[ . 1 . 2]" 1
765 1 87 ASP HB2 1 88 THR H 3.500 . 3.500 2.445 1.984 3.517 0.017 16 0 "[ . 1 . 2]" 1
766 1 88 THR H 1 88 THR HB 3.500 . 3.500 3.411 2.960 3.514 0.014 10 0 "[ . 1 . 2]" 1
767 1 88 THR HA 1 89 LYS H 2.700 . 2.700 2.206 2.135 2.388 . 0 0 "[ . 1 . 2]" 1
768 1 88 THR HB 1 89 LYS H 3.500 . 3.500 3.414 2.856 3.517 0.017 10 0 "[ . 1 . 2]" 1
769 1 88 THR MG 1 89 LYS H 5.000 . 5.000 3.278 2.302 3.870 . 0 0 "[ . 1 . 2]" 1
770 1 89 LYS H 1 89 LYS HB2 3.500 . 3.500 2.278 2.096 2.480 . 0 0 "[ . 1 . 2]" 1
771 1 89 LYS H 1 89 LYS HB3 3.500 . 3.500 3.483 3.349 3.531 0.031 10 0 "[ . 1 . 2]" 1
772 1 89 LYS H 1 89 LYS HD2 3.500 . 3.500 3.465 2.785 3.507 0.007 11 0 "[ . 1 . 2]" 1
773 1 89 LYS H 1 89 LYS HD3 5.000 . 5.000 4.297 3.355 4.959 . 0 0 "[ . 1 . 2]" 1
774 1 89 LYS H 1 89 LYS HG2 5.000 . 5.000 4.579 4.336 4.870 . 0 0 "[ . 1 . 2]" 1
775 1 89 LYS H 1 90 ILE H 5.000 . 5.000 4.518 4.420 4.621 . 0 0 "[ . 1 . 2]" 1
776 1 89 LYS HA 1 90 ILE H 3.500 . 3.500 2.296 2.146 2.497 . 0 0 "[ . 1 . 2]" 1
777 1 89 LYS HB3 1 90 ILE H 5.000 . 5.000 2.925 2.350 3.545 . 0 0 "[ . 1 . 2]" 1
778 1 89 LYS HG3 1 90 ILE H 5.000 . 5.000 3.805 3.156 4.283 . 0 0 "[ . 1 . 2]" 1
779 1 90 ILE H 1 90 ILE MD 5.000 . 5.000 4.042 3.888 4.348 . 0 0 "[ . 1 . 2]" 1
780 1 90 ILE H 1 90 ILE HG12 3.500 . 3.500 2.627 2.255 3.126 . 0 0 "[ . 1 . 2]" 1
781 1 90 ILE H 1 90 ILE HG13 3.500 . 3.500 3.086 2.397 3.502 0.002 6 0 "[ . 1 . 2]" 1
782 1 90 ILE H 1 91 GLU H 5.000 . 5.000 4.450 4.379 4.482 . 0 0 "[ . 1 . 2]" 1
783 1 90 ILE HA 1 90 ILE MG 3.500 . 3.500 2.394 2.264 2.589 . 0 0 "[ . 1 . 2]" 1
784 1 90 ILE HA 1 91 GLU H 2.700 . 2.700 2.430 2.271 2.662 . 0 0 "[ . 1 . 2]" 1
785 1 90 ILE HB 1 90 ILE MD 3.500 . 3.500 2.318 2.036 2.467 . 0 0 "[ . 1 . 2]" 1
786 1 90 ILE HB 1 91 GLU H 3.500 . 3.500 2.434 1.981 2.731 . 0 0 "[ . 1 . 2]" 1
787 1 90 ILE HB 1 94 GLN HB3 5.000 . 5.000 3.338 2.616 3.656 . 0 0 "[ . 1 . 2]" 1
788 1 90 ILE HB 1 94 GLN HG3 5.000 . 5.000 4.817 3.874 5.005 0.005 20 0 "[ . 1 . 2]" 1
789 1 90 ILE MD 1 91 GLU H 5.000 . 5.000 3.855 3.242 4.536 . 0 0 "[ . 1 . 2]" 1
790 1 90 ILE MD 1 94 GLN HB2 5.000 . 5.000 3.986 3.441 4.622 . 0 0 "[ . 1 . 2]" 1
791 1 90 ILE MD 1 94 GLN HB3 5.000 . 5.000 2.702 2.242 3.231 . 0 0 "[ . 1 . 2]" 1
792 1 90 ILE MD 1 94 GLN HE21 5.000 . 5.000 4.936 4.490 5.004 0.004 17 0 "[ . 1 . 2]" 1
793 1 90 ILE MD 1 94 GLN HE22 5.000 . 5.000 4.873 4.470 5.008 0.008 17 0 "[ . 1 . 2]" 1
794 1 90 ILE MD 1 94 GLN QG 5.000 . 5.000 4.360 3.906 4.781 . 0 0 "[ . 1 . 2]" 1
795 1 90 ILE MD 1 95 PHE H 5.000 . 5.000 2.948 2.322 3.578 . 0 0 "[ . 1 . 2]" 1
796 1 90 ILE MD 1 95 PHE HA 5.000 . 5.000 1.913 1.792 2.149 . 0 0 "[ . 1 . 2]" 1
797 1 90 ILE MD 1 95 PHE HB2 5.000 . 5.000 2.477 1.964 3.188 . 0 0 "[ . 1 . 2]" 1
798 1 90 ILE MD 1 95 PHE HB3 5.000 . 5.000 3.702 3.308 4.267 . 0 0 "[ . 1 . 2]" 1
799 1 90 ILE MD 1 95 PHE QD 5.000 . 5.000 1.963 1.812 2.380 . 0 0 "[ . 1 . 2]" 1
800 1 90 ILE HG12 1 90 ILE MG 3.500 . 3.500 2.221 1.975 2.441 . 0 0 "[ . 1 . 2]" 1
801 1 90 ILE HG12 1 91 GLU H 5.000 . 5.000 4.516 4.008 4.939 . 0 0 "[ . 1 . 2]" 1
802 1 90 ILE HG13 1 91 GLU H 5.000 . 5.000 3.365 2.549 3.929 . 0 0 "[ . 1 . 2]" 1
803 1 90 ILE HG13 1 95 PHE H 5.000 . 5.000 3.787 3.223 4.691 . 0 0 "[ . 1 . 2]" 1
804 1 90 ILE MG 1 91 GLU H 5.000 . 5.000 3.800 3.620 3.994 . 0 0 "[ . 1 . 2]" 1
805 1 90 ILE MG 1 95 PHE QD 5.000 . 5.000 4.050 3.798 4.413 . 0 0 "[ . 1 . 2]" 1
806 1 90 ILE MG 1 95 PHE QE 5.000 . 5.000 5.004 4.897 5.038 0.038 9 0 "[ . 1 . 2]" 1
807 1 91 GLU H 1 91 GLU HB2 3.500 . 3.500 2.365 2.182 2.780 . 0 0 "[ . 1 . 2]" 1
808 1 91 GLU H 1 91 GLU HB3 3.500 . 3.500 3.508 3.485 3.544 0.044 18 0 "[ . 1 . 2]" 1
809 1 91 GLU H 1 91 GLU HG2 3.500 . 3.500 3.008 1.952 3.503 0.003 19 0 "[ . 1 . 2]" 1
810 1 91 GLU H 1 92 VAL H 5.000 . 5.000 4.566 4.524 4.613 . 0 0 "[ . 1 . 2]" 1
811 1 91 GLU H 1 94 GLN H 5.000 . 5.000 4.496 3.909 4.811 . 0 0 "[ . 1 . 2]" 1
812 1 91 GLU HA 1 91 GLU HG2 3.500 . 3.500 2.571 2.123 3.489 . 0 0 "[ . 1 . 2]" 1
813 1 91 GLU HA 1 92 VAL H 3.500 . 3.500 2.177 2.151 2.207 . 0 0 "[ . 1 . 2]" 1
814 1 91 GLU HA 1 93 ALA H 5.000 . 5.000 4.084 3.826 4.390 . 0 0 "[ . 1 . 2]" 1
815 1 91 GLU HB2 1 92 VAL H 5.000 . 5.000 4.189 3.852 4.373 . 0 0 "[ . 1 . 2]" 1
816 1 91 GLU HB2 1 93 ALA H 5.000 . 5.000 3.976 3.282 4.456 . 0 0 "[ . 1 . 2]" 1
817 1 91 GLU HB2 1 94 GLN H 3.500 . 3.500 2.903 2.204 3.202 . 0 0 "[ . 1 . 2]" 1
818 1 91 GLU HB3 1 92 VAL H 5.000 . 5.000 3.195 3.043 3.379 . 0 0 "[ . 1 . 2]" 1
819 1 91 GLU HB3 1 93 ALA H 3.500 . 3.500 2.848 2.501 3.355 . 0 0 "[ . 1 . 2]" 1
820 1 91 GLU QG 1 92 VAL H 5.000 . 5.000 4.169 3.644 4.754 . 0 0 "[ . 1 . 2]" 1
821 1 91 GLU QG 1 93 ALA H 5.000 . 5.000 4.780 4.446 5.002 0.002 18 0 "[ . 1 . 2]" 1
822 1 91 GLU QG 1 94 GLN H 5.000 . 5.000 4.516 4.111 4.738 . 0 0 "[ . 1 . 2]" 1
823 1 92 VAL H 1 92 VAL HB 3.500 . 3.500 3.488 3.385 3.541 0.041 17 0 "[ . 1 . 2]" 1
824 1 92 VAL H 1 92 VAL MG2 3.500 . 3.500 1.785 1.738 1.821 . 0 0 "[ . 1 . 2]" 1
825 1 92 VAL H 1 93 ALA H 5.000 . 5.000 2.869 2.769 2.964 . 0 0 "[ . 1 . 2]" 1
826 1 92 VAL H 1 94 GLN H 5.000 . 5.000 4.638 4.318 4.812 . 0 0 "[ . 1 . 2]" 1
827 1 92 VAL HA 1 93 ALA H 5.000 . 5.000 3.536 3.493 3.569 . 0 0 "[ . 1 . 2]" 1
828 1 92 VAL HA 1 94 GLN H 5.000 . 5.000 4.789 4.439 4.954 . 0 0 "[ . 1 . 2]" 1
829 1 92 VAL HA 1 95 PHE HB2 5.000 . 5.000 2.548 1.979 2.986 . 0 0 "[ . 1 . 2]" 1
830 1 92 VAL HB 1 93 ALA H 3.500 . 3.500 3.164 2.821 3.457 . 0 0 "[ . 1 . 2]" 1
831 1 92 VAL MG1 1 93 ALA H 5.000 . 5.000 4.217 4.105 4.325 . 0 0 "[ . 1 . 2]" 1
832 1 92 VAL MG1 1 96 VAL MG2 5.000 . 5.000 3.704 3.414 4.128 . 0 0 "[ . 1 . 2]" 1
833 1 93 ALA H 1 93 ALA MB 3.500 . 3.500 2.117 2.038 2.239 . 0 0 "[ . 1 . 2]" 1
834 1 93 ALA H 1 94 GLN H 3.500 . 3.500 2.822 2.664 2.886 . 0 0 "[ . 1 . 2]" 1
835 1 93 ALA HA 1 96 VAL H 5.000 . 5.000 3.627 3.388 3.796 . 0 0 "[ . 1 . 2]" 1
836 1 93 ALA HA 1 96 VAL HB 5.000 . 5.000 3.524 3.315 3.858 . 0 0 "[ . 1 . 2]" 1
837 1 93 ALA HA 1 96 VAL MG2 5.000 . 5.000 2.867 2.135 3.178 . 0 0 "[ . 1 . 2]" 1
838 1 93 ALA MB 1 94 GLN H 5.000 . 5.000 2.276 2.125 2.603 . 0 0 "[ . 1 . 2]" 1
839 1 94 GLN H 1 94 GLN HB2 3.500 . 3.500 2.067 2.062 2.074 . 0 0 "[ . 1 . 2]" 1
840 1 94 GLN H 1 94 GLN HB3 3.500 . 3.500 3.181 3.160 3.189 . 0 0 "[ . 1 . 2]" 1
841 1 94 GLN H 1 94 GLN QG 3.500 . 3.500 3.506 3.496 3.522 0.022 17 0 "[ . 1 . 2]" 1
842 1 94 GLN H 1 95 PHE H 3.500 . 3.500 2.579 2.497 2.662 . 0 0 "[ . 1 . 2]" 1
843 1 94 GLN H 1 95 PHE HB2 5.000 . 5.000 4.730 4.429 4.980 . 0 0 "[ . 1 . 2]" 1
844 1 94 GLN H 1 95 PHE HB3 5.000 . 5.000 4.980 4.839 5.016 0.016 16 0 "[ . 1 . 2]" 1
845 1 94 GLN HA 1 94 GLN HG2 3.500 . 3.500 2.272 2.214 2.396 . 0 0 "[ . 1 . 2]" 1
846 1 94 GLN HA 1 95 PHE H 3.500 . 3.500 3.464 3.422 3.486 . 0 0 "[ . 1 . 2]" 1
847 1 94 GLN HA 1 97 LYS H 5.000 . 5.000 3.587 3.349 3.825 . 0 0 "[ . 1 . 2]" 1
848 1 94 GLN HA 1 97 LYS HB2 3.500 . 3.500 2.626 2.295 3.144 . 0 0 "[ . 1 . 2]" 1
849 1 94 GLN HB2 1 95 PHE H 3.500 . 3.500 3.443 3.392 3.507 0.007 19 0 "[ . 1 . 2]" 1
850 1 94 GLN HB3 1 95 PHE H 5.000 . 5.000 3.150 3.071 3.265 . 0 0 "[ . 1 . 2]" 1
851 1 94 GLN HE21 1 94 GLN HG2 3.500 . 3.500 2.351 2.243 2.520 . 0 0 "[ . 1 . 2]" 1
852 1 94 GLN HE21 1 97 LYS HB2 5.000 . 5.000 2.345 1.986 2.911 . 0 0 "[ . 1 . 2]" 1
853 1 94 GLN HE22 1 94 GLN QG 3.500 . 3.500 3.330 3.294 3.381 . 0 0 "[ . 1 . 2]" 1
854 1 94 GLN HE22 1 97 LYS HB2 5.000 . 5.000 3.345 2.150 4.090 . 0 0 "[ . 1 . 2]" 1
855 1 94 GLN HE22 1 97 LYS QD 5.000 . 5.000 4.511 3.836 5.011 0.011 17 0 "[ . 1 . 2]" 1
856 1 94 GLN QG 1 95 PHE H 5.000 . 5.000 4.645 4.616 4.692 . 0 0 "[ . 1 . 2]" 1
857 1 95 PHE H 1 95 PHE HB2 3.500 . 3.500 2.400 2.228 2.584 . 0 0 "[ . 1 . 2]" 1
858 1 95 PHE H 1 95 PHE HB3 3.500 . 3.500 2.641 2.490 2.731 . 0 0 "[ . 1 . 2]" 1
859 1 95 PHE H 1 96 VAL H 3.500 . 3.500 2.708 2.567 2.821 . 0 0 "[ . 1 . 2]" 1
860 1 95 PHE H 1 97 LYS H 5.000 . 5.000 4.224 4.031 4.429 . 0 0 "[ . 1 . 2]" 1
861 1 95 PHE HA 1 96 VAL H 3.500 . 3.500 3.526 3.508 3.535 0.035 19 0 "[ . 1 . 2]" 1
862 1 95 PHE HA 1 98 ASP HB3 5.000 . 5.000 4.261 4.049 4.530 . 0 0 "[ . 1 . 2]" 1
863 1 95 PHE HB2 1 96 VAL H 5.000 . 5.000 3.614 3.346 3.917 . 0 0 "[ . 1 . 2]" 1
864 1 95 PHE HB3 1 96 VAL H 3.500 . 3.500 2.314 2.012 2.680 . 0 0 "[ . 1 . 2]" 1
865 1 95 PHE QD 1 96 VAL H 5.000 . 5.000 3.450 2.888 3.839 . 0 0 "[ . 1 . 2]" 1
866 1 95 PHE QD 1 96 VAL MG1 5.000 . 5.000 4.742 4.332 5.010 0.010 9 0 "[ . 1 . 2]" 1
867 1 95 PHE QD 1 96 VAL MG2 5.000 . 5.000 2.982 2.345 3.462 . 0 0 "[ . 1 . 2]" 1
868 1 95 PHE QE 1 99 LEU MD1 5.000 . 5.000 4.188 2.316 5.005 0.005 12 0 "[ . 1 . 2]" 1
869 1 95 PHE QE 1 99 LEU MD2 5.000 . 5.000 4.597 3.653 5.004 0.004 4 0 "[ . 1 . 2]" 1
870 1 96 VAL H 1 96 VAL HB 3.500 . 3.500 2.644 2.504 2.751 . 0 0 "[ . 1 . 2]" 1
871 1 96 VAL H 1 96 VAL MG2 3.500 . 3.500 2.087 1.941 2.226 . 0 0 "[ . 1 . 2]" 1
872 1 96 VAL H 1 97 LYS H 3.500 . 3.500 2.775 2.677 2.870 . 0 0 "[ . 1 . 2]" 1
873 1 96 VAL HA 1 97 LYS H 5.000 . 5.000 3.556 3.542 3.567 . 0 0 "[ . 1 . 2]" 1
874 1 96 VAL HA 1 99 LEU H 5.000 . 5.000 3.504 3.353 3.773 . 0 0 "[ . 1 . 2]" 1
875 1 96 VAL HA 1 100 LEU H 5.000 . 5.000 4.379 4.220 4.462 . 0 0 "[ . 1 . 2]" 1
876 1 96 VAL HB 1 97 LYS H 3.500 . 3.500 2.299 2.143 2.444 . 0 0 "[ . 1 . 2]" 1
877 1 96 VAL MG2 1 97 LYS H 5.000 . 5.000 3.614 3.504 3.719 . 0 0 "[ . 1 . 2]" 1
878 1 97 LYS H 1 97 LYS HB2 3.500 . 3.500 2.565 2.322 2.962 . 0 0 "[ . 1 . 2]" 1
879 1 97 LYS H 1 97 LYS QD 3.500 . 3.500 3.057 2.018 3.522 0.022 2 0 "[ . 1 . 2]" 1
880 1 97 LYS H 1 97 LYS QE 5.000 . 5.000 4.069 3.286 4.685 . 0 0 "[ . 1 . 2]" 1
881 1 97 LYS H 1 98 ASP H 3.500 . 3.500 2.858 2.768 2.964 . 0 0 "[ . 1 . 2]" 1
882 1 97 LYS H 1 99 LEU MD2 5.000 . 5.000 4.454 4.245 4.762 . 0 0 "[ . 1 . 2]" 1
883 1 97 LYS HB2 1 98 ASP H 3.500 . 3.500 2.603 2.438 2.807 . 0 0 "[ . 1 . 2]" 1
884 1 97 LYS HB3 1 97 LYS HD2 3.500 . 3.500 3.226 2.019 3.551 0.051 12 0 "[ . 1 . 2]" 1
885 1 98 ASP H 1 98 ASP HB2 3.500 . 3.500 2.189 2.146 2.201 . 0 0 "[ . 1 . 2]" 1
886 1 98 ASP H 1 98 ASP HB3 3.500 . 3.500 3.493 3.444 3.503 0.003 16 0 "[ . 1 . 2]" 1
887 1 98 ASP H 1 99 LEU H 3.500 . 3.500 2.536 2.454 2.710 . 0 0 "[ . 1 . 2]" 1
888 1 98 ASP HA 1 99 LEU H 5.000 . 5.000 3.401 3.357 3.451 . 0 0 "[ . 1 . 2]" 1
889 1 98 ASP HA 1 99 LEU HB3 5.000 . 5.000 5.167 5.158 5.179 0.179 10 0 "[ . 1 . 2]" 1
890 1 98 ASP HA 1 101 LEU H 3.500 . 3.500 3.003 2.804 3.509 0.009 12 0 "[ . 1 . 2]" 1
891 1 98 ASP HA 1 101 LEU MD1 5.000 . 5.000 3.421 1.854 4.045 . 0 0 "[ . 1 . 2]" 1
892 1 98 ASP HB2 1 99 LEU H 3.500 . 3.500 2.815 2.498 3.055 . 0 0 "[ . 1 . 2]" 1
893 1 98 ASP HB3 1 99 LEU H 3.500 . 3.500 3.216 2.849 3.484 . 0 0 "[ . 1 . 2]" 1
894 1 99 LEU H 1 99 LEU HB2 3.500 . 3.500 2.889 2.687 2.998 . 0 0 "[ . 1 . 2]" 1
895 1 99 LEU H 1 99 LEU HB3 3.500 . 3.500 1.871 1.817 2.010 . 0 0 "[ . 1 . 2]" 1
896 1 99 LEU H 1 99 LEU MD1 5.000 . 5.000 4.322 4.202 4.355 . 0 0 "[ . 1 . 2]" 1
897 1 99 LEU H 1 99 LEU MD2 5.000 . 5.000 3.571 3.276 3.742 . 0 0 "[ . 1 . 2]" 1
898 1 99 LEU H 1 99 LEU HG 5.000 . 5.000 4.031 3.787 4.344 . 0 0 "[ . 1 . 2]" 1
899 1 99 LEU H 1 100 LEU H 3.500 . 3.500 2.628 2.499 2.838 . 0 0 "[ . 1 . 2]" 1
900 1 99 LEU HA 1 99 LEU MD1 3.500 . 3.500 3.050 2.827 3.506 0.006 3 0 "[ . 1 . 2]" 1
901 1 99 LEU HA 1 99 LEU HG 3.500 . 3.500 3.292 2.968 3.467 . 0 0 "[ . 1 . 2]" 1
902 1 99 LEU HB3 1 100 LEU H 3.500 . 3.500 2.837 2.682 2.987 . 0 0 "[ . 1 . 2]" 1
903 1 99 LEU MD1 1 100 LEU H 5.000 . 5.000 4.372 4.117 4.656 . 0 0 "[ . 1 . 2]" 1
904 1 99 LEU MD2 1 100 LEU H 3.500 . 3.500 3.084 2.610 3.444 . 0 0 "[ . 1 . 2]" 1
905 1 100 LEU H 1 100 LEU HB2 3.500 . 3.500 2.783 2.610 2.934 . 0 0 "[ . 1 . 2]" 1
906 1 100 LEU H 1 100 LEU HB3 3.500 . 3.500 2.255 2.162 2.366 . 0 0 "[ . 1 . 2]" 1
907 1 100 LEU H 1 101 LEU H 3.500 . 3.500 2.497 2.399 2.830 . 0 0 "[ . 1 . 2]" 1
908 1 100 LEU HB3 1 101 LEU H 3.500 . 3.500 2.720 2.429 2.859 . 0 0 "[ . 1 . 2]" 1
909 1 100 LEU MD1 1 104 LYS H 5.000 . 5.000 4.114 3.063 5.012 0.012 14 0 "[ . 1 . 2]" 1
910 1 100 LEU MD1 1 104 LYS HE3 5.000 . 5.000 2.908 1.980 4.455 . 0 0 "[ . 1 . 2]" 1
911 1 100 LEU MD2 1 104 LYS QE 5.000 . 5.000 2.681 1.919 3.614 . 0 0 "[ . 1 . 2]" 1
912 1 100 LEU MD2 1 104 LYS HE3 5.000 . 5.000 3.183 1.930 4.954 . 0 0 "[ . 1 . 2]" 1
913 1 101 LEU H 1 101 LEU HB3 3.500 . 3.500 2.385 2.194 3.553 0.053 8 0 "[ . 1 . 2]" 1
914 1 101 LEU H 1 101 LEU MD2 5.000 . 5.000 3.840 2.625 4.109 . 0 0 "[ . 1 . 2]" 1
915 1 101 LEU H 1 101 LEU HG 5.000 . 5.000 4.015 1.729 4.600 . 0 0 "[ . 1 . 2]" 1
916 1 101 LEU H 1 102 HIS H 3.500 . 3.500 2.972 2.782 3.094 . 0 0 "[ . 1 . 2]" 1
917 1 101 LEU H 1 102 HIS QB 5.000 . 5.000 4.703 4.487 4.895 . 0 0 "[ . 1 . 2]" 1
918 1 101 LEU H 1 103 LEU H 5.000 . 5.000 4.290 4.049 4.872 . 0 0 "[ . 1 . 2]" 1
919 1 101 LEU HA 1 102 HIS H 3.500 . 3.500 3.512 3.499 3.529 0.029 8 0 "[ . 1 . 2]" 1
920 1 101 LEU HA 1 105 LYS H 5.000 . 5.000 4.340 4.192 4.440 . 0 0 "[ . 1 . 2]" 1
921 1 101 LEU HB2 1 102 HIS H 3.500 . 3.500 3.435 2.143 3.566 0.066 9 0 "[ . 1 . 2]" 1
922 1 101 LEU HB3 1 102 HIS H 3.500 . 3.500 2.478 2.059 3.599 0.099 12 0 "[ . 1 . 2]" 1
923 1 101 LEU MD1 1 105 LYS HD2 5.000 . 5.000 3.521 2.018 5.007 0.007 8 0 "[ . 1 . 2]" 1
924 1 102 HIS H 1 102 HIS HB2 3.500 . 3.500 2.709 2.311 3.501 0.001 7 0 "[ . 1 . 2]" 1
925 1 102 HIS H 1 102 HIS QB 3.500 . 3.500 2.225 2.102 2.282 . 0 0 "[ . 1 . 2]" 1
926 1 102 HIS H 1 102 HIS HB3 3.500 . 3.500 2.516 2.146 3.533 0.033 12 0 "[ . 1 . 2]" 1
927 1 102 HIS H 1 102 HIS HD2 5.000 . 5.000 4.773 2.963 5.032 0.032 6 0 "[ . 1 . 2]" 1
928 1 102 HIS H 1 103 LEU H 3.500 . 3.500 2.855 2.695 3.259 . 0 0 "[ . 1 . 2]" 1
929 1 102 HIS H 1 104 LYS H 5.000 . 5.000 4.497 4.213 4.595 . 0 0 "[ . 1 . 2]" 1
930 1 102 HIS H 1 105 LYS H 5.000 . 5.000 4.749 4.576 4.831 . 0 0 "[ . 1 . 2]" 1
931 1 102 HIS HA 1 103 LEU H 5.000 . 5.000 3.576 3.560 3.605 . 0 0 "[ . 1 . 2]" 1
932 1 102 HIS HA 1 104 LYS H 5.000 . 5.000 4.665 4.475 4.781 . 0 0 "[ . 1 . 2]" 1
933 1 102 HIS HA 1 105 LYS H 3.500 . 3.500 3.486 3.367 3.516 0.016 14 0 "[ . 1 . 2]" 1
934 1 102 HIS HA 1 105 LYS HB3 3.500 . 3.500 3.515 3.505 3.523 0.023 18 0 "[ . 1 . 2]" 1
935 1 102 HIS HB3 1 103 LEU H 3.500 . 3.500 2.723 2.252 3.520 0.020 17 0 "[ . 1 . 2]" 1
936 1 102 HIS HD2 1 103 LEU H 5.000 . 5.000 3.725 2.317 4.918 . 0 0 "[ . 1 . 2]" 1
937 1 102 HIS HD2 1 103 LEU MD2 5.000 . 5.000 3.990 2.918 5.007 0.007 18 0 "[ . 1 . 2]" 1
938 1 103 LEU H 1 103 LEU HB2 3.500 . 3.500 2.285 2.185 2.422 . 0 0 "[ . 1 . 2]" 1
939 1 103 LEU H 1 103 LEU HB3 3.500 . 3.500 3.522 3.489 3.542 0.042 9 0 "[ . 1 . 2]" 1
940 1 103 LEU H 1 103 LEU MD1 3.500 . 3.500 3.452 2.990 3.560 0.060 12 0 "[ . 1 . 2]" 1
941 1 103 LEU H 1 103 LEU MD2 5.000 . 5.000 3.688 1.747 4.312 . 0 0 "[ . 1 . 2]" 1
942 1 103 LEU H 1 103 LEU HG 3.500 . 3.500 2.683 2.222 3.549 0.049 12 0 "[ . 1 . 2]" 1
943 1 103 LEU H 1 104 LYS H 3.500 . 3.500 2.925 2.779 3.074 . 0 0 "[ . 1 . 2]" 1
944 1 103 LEU H 1 105 LYS H 5.000 . 5.000 4.149 4.069 4.318 . 0 0 "[ . 1 . 2]" 1
945 1 103 LEU HA 1 104 LYS H 5.000 . 5.000 3.575 3.565 3.588 . 0 0 "[ . 1 . 2]" 1
946 1 103 LEU HB3 1 104 LYS H 5.000 . 5.000 3.192 2.878 3.383 . 0 0 "[ . 1 . 2]" 1
947 1 103 LEU MD1 1 104 LYS H 5.000 . 5.000 4.431 4.291 4.661 . 0 0 "[ . 1 . 2]" 1
948 1 104 LYS H 1 104 LYS HB3 2.700 . 2.700 2.296 2.190 2.491 . 0 0 "[ . 1 . 2]" 1
949 1 104 LYS H 1 104 LYS HD2 3.500 . 3.500 3.499 3.359 3.514 0.014 20 0 "[ . 1 . 2]" 1
950 1 104 LYS H 1 104 LYS QE 5.000 . 5.000 4.662 4.321 5.018 0.018 2 0 "[ . 1 . 2]" 1
951 1 104 LYS H 1 104 LYS HG2 3.500 . 3.500 2.763 2.270 3.084 . 0 0 "[ . 1 . 2]" 1
952 1 104 LYS H 1 104 LYS HG3 5.000 . 5.000 4.052 3.689 4.263 . 0 0 "[ . 1 . 2]" 1
953 1 104 LYS H 1 105 LYS H 3.500 . 3.500 2.654 2.515 2.726 . 0 0 "[ . 1 . 2]" 1
954 1 104 LYS H 1 106 LEU H 5.000 . 5.000 4.017 3.847 4.111 . 0 0 "[ . 1 . 2]" 1
955 1 104 LYS HA 1 107 PHE HB2 5.000 . 5.000 3.731 3.294 4.381 . 0 0 "[ . 1 . 2]" 1
956 1 104 LYS HA 1 107 PHE QB 3.500 . 3.500 3.169 3.018 3.327 . 0 0 "[ . 1 . 2]" 1
957 1 104 LYS HA 1 107 PHE HB3 3.500 . 3.500 3.477 3.164 3.517 0.017 4 0 "[ . 1 . 2]" 1
958 1 105 LYS H 1 105 LYS HB2 2.700 . 2.700 2.050 2.026 2.068 . 0 0 "[ . 1 . 2]" 1
959 1 105 LYS H 1 105 LYS HB3 3.500 . 3.500 3.333 3.303 3.358 . 0 0 "[ . 1 . 2]" 1
960 1 105 LYS H 1 105 LYS HD2 3.500 . 3.500 3.506 3.500 3.514 0.014 10 0 "[ . 1 . 2]" 1
961 1 105 LYS H 1 105 LYS HG2 5.000 . 5.000 4.458 4.452 4.467 . 0 0 "[ . 1 . 2]" 1
962 1 105 LYS H 1 105 LYS HG3 3.500 . 3.500 3.519 3.501 3.541 0.041 9 0 "[ . 1 . 2]" 1
963 1 105 LYS H 1 106 LEU H 3.500 . 3.500 2.609 2.531 2.722 . 0 0 "[ . 1 . 2]" 1
964 1 105 LYS H 1 108 ARG H 5.000 . 5.000 4.722 4.620 4.851 . 0 0 "[ . 1 . 2]" 1
965 1 105 LYS HA 1 105 LYS QD 5.000 . 5.000 3.711 3.605 3.861 . 0 0 "[ . 1 . 2]" 1
966 1 106 LEU H 1 106 LEU HB2 3.500 . 3.500 2.356 2.120 3.524 0.024 15 0 "[ . 1 . 2]" 1
967 1 106 LEU H 1 106 LEU HB3 3.500 . 3.500 2.948 2.252 3.483 . 0 0 "[ . 1 . 2]" 1
968 1 106 LEU H 1 107 PHE H 3.500 . 3.500 2.606 2.413 2.770 . 0 0 "[ . 1 . 2]" 1
969 1 106 LEU H 1 107 PHE QB 5.000 . 5.000 4.293 4.119 4.491 . 0 0 "[ . 1 . 2]" 1
970 1 106 LEU H 1 108 ARG H 3.500 . 3.500 3.524 3.516 3.535 0.035 10 0 "[ . 1 . 2]" 1
971 1 106 LEU HA 1 107 PHE H 3.500 . 3.500 3.537 3.523 3.549 0.049 8 0 "[ . 1 . 2]" 1
972 1 106 LEU HA 1 109 GLU H 5.000 . 5.000 3.386 3.180 3.590 . 0 0 "[ . 1 . 2]" 1
973 1 106 LEU HB3 1 107 PHE H 3.500 . 3.500 2.422 2.014 3.456 . 0 0 "[ . 1 . 2]" 1
974 1 107 PHE H 1 107 PHE HB2 3.500 . 3.500 2.215 2.087 2.661 . 0 0 "[ . 1 . 2]" 1
975 1 107 PHE H 1 107 PHE HB3 3.500 . 3.500 2.998 2.523 3.217 . 0 0 "[ . 1 . 2]" 1
976 1 107 PHE H 1 107 PHE QD 5.000 . 5.000 3.919 3.439 4.219 . 0 0 "[ . 1 . 2]" 1
977 1 107 PHE H 1 108 ARG H 3.500 . 3.500 2.641 2.458 2.725 . 0 0 "[ . 1 . 2]" 1
978 1 107 PHE HA 1 111 ARG H 5.000 . 5.000 4.415 2.977 5.006 0.006 11 0 "[ . 1 . 2]" 1
979 1 107 PHE QB 1 108 ARG H 3.500 . 3.500 3.004 2.956 3.056 . 0 0 "[ . 1 . 2]" 1
980 1 107 PHE QB 1 109 GLU H 5.000 . 5.000 4.988 4.868 5.022 0.022 13 0 "[ . 1 . 2]" 1
981 1 107 PHE QD 1 108 ARG H 5.000 . 5.000 4.495 4.253 4.766 . 0 0 "[ . 1 . 2]" 1
982 1 108 ARG H 1 108 ARG QD 5.000 . 5.000 4.230 3.603 4.691 . 0 0 "[ . 1 . 2]" 1
983 1 108 ARG H 1 109 GLU H 3.500 . 3.500 2.377 2.287 2.453 . 0 0 "[ . 1 . 2]" 1
984 1 108 ARG HA 1 108 ARG HG2 3.500 . 3.500 2.850 2.378 3.452 . 0 0 "[ . 1 . 2]" 1
985 1 108 ARG HB3 1 108 ARG QD 3.500 . 3.500 2.509 2.091 3.176 . 0 0 "[ . 1 . 2]" 1
986 1 108 ARG QG 1 109 GLU H 5.000 . 5.000 3.980 3.616 4.444 . 0 0 "[ . 1 . 2]" 1
987 1 109 GLU H 1 109 GLU HB2 3.500 . 3.500 2.297 2.182 2.494 . 0 0 "[ . 1 . 2]" 1
988 1 109 GLU H 1 109 GLU HG2 3.500 . 3.500 2.802 2.402 3.163 . 0 0 "[ . 1 . 2]" 1
989 1 109 GLU H 1 109 GLU HG3 3.500 . 3.500 3.455 3.285 3.502 0.002 14 0 "[ . 1 . 2]" 1
990 1 109 GLU H 1 110 GLY H 3.500 . 3.500 2.569 2.395 2.696 . 0 0 "[ . 1 . 2]" 1
991 1 109 GLU HA 1 109 GLU HG2 3.500 . 3.500 2.447 2.207 2.683 . 0 0 "[ . 1 . 2]" 1
992 1 109 GLU HA 1 110 GLY H 3.500 . 3.500 3.453 3.392 3.501 0.001 14 0 "[ . 1 . 2]" 1
993 1 109 GLU HB2 1 110 GLY H 5.000 . 5.000 3.128 3.022 3.282 . 0 0 "[ . 1 . 2]" 1
994 1 110 GLY H 1 112 PHE QD 5.000 . 5.000 4.789 4.151 5.008 0.008 20 0 "[ . 1 . 2]" 1
995 1 110 GLY HA2 1 111 ARG H 3.500 . 3.500 3.074 2.132 3.533 0.033 3 0 "[ . 1 . 2]" 1
996 1 110 GLY HA3 1 111 ARG H 3.500 . 3.500 2.857 2.134 3.526 0.026 2 0 "[ . 1 . 2]" 1
997 1 111 ARG H 1 111 ARG HB2 3.500 . 3.500 2.658 2.235 3.547 0.047 2 0 "[ . 1 . 2]" 1
998 1 111 ARG H 1 111 ARG HB3 3.500 . 3.500 3.528 3.501 3.566 0.066 3 0 "[ . 1 . 2]" 1
999 1 111 ARG H 1 111 ARG HD2 5.000 . 5.000 4.452 2.458 5.013 0.013 13 0 "[ . 1 . 2]" 1
1000 1 111 ARG H 1 111 ARG HG3 3.500 . 3.500 3.082 1.877 3.511 0.011 10 0 "[ . 1 . 2]" 1
1001 1 111 ARG H 1 112 PHE H 3.500 . 3.500 3.027 2.850 3.219 . 0 0 "[ . 1 . 2]" 1
1002 1 111 ARG H 1 112 PHE QD 5.000 . 5.000 5.014 5.005 5.028 0.028 13 0 "[ . 1 . 2]" 1
1003 1 111 ARG HA 1 112 PHE H 2.700 . 2.700 2.708 2.663 2.720 0.020 14 0 "[ . 1 . 2]" 1
1004 1 111 ARG HA 1 113 ASN H 3.500 . 3.500 3.512 3.506 3.517 0.017 6 0 "[ . 1 . 2]" 1
1005 1 111 ARG HB2 1 112 PHE H 5.000 . 5.000 4.293 4.231 4.338 . 0 0 "[ . 1 . 2]" 1
1006 1 111 ARG HB3 1 112 PHE H 5.000 . 5.000 4.394 4.311 4.628 . 0 0 "[ . 1 . 2]" 1
1007 1 112 PHE H 1 112 PHE HB2 3.500 . 3.500 3.511 3.476 3.529 0.029 14 0 "[ . 1 . 2]" 1
1008 1 112 PHE H 1 112 PHE HB3 3.500 . 3.500 2.218 2.155 2.259 . 0 0 "[ . 1 . 2]" 1
1009 1 112 PHE H 1 112 PHE QD 3.500 . 3.500 2.642 2.375 2.793 . 0 0 "[ . 1 . 2]" 1
1010 1 112 PHE HA 1 112 PHE QD 3.500 . 3.500 3.537 3.507 3.593 0.093 13 0 "[ . 1 . 2]" 1
1011 1 112 PHE HA 1 113 ASN H 3.500 . 3.500 3.492 3.476 3.508 0.008 10 0 "[ . 1 . 2]" 1
1012 1 112 PHE HB3 1 113 ASN H 3.500 . 3.500 3.524 3.517 3.532 0.032 13 0 "[ . 1 . 2]" 1
1013 1 112 PHE QD 1 113 ASN H 5.000 . 5.000 2.967 2.657 3.073 . 0 0 "[ . 1 . 2]" 1
1014 1 113 ASN H 1 113 ASN QB 3.500 . 3.500 2.722 2.151 2.983 . 0 0 "[ . 1 . 2]" 1
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