NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388596 |
1n89   |
4977 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n89
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 651
_Distance_constraint_stats_list.Viol_count 1242
_Distance_constraint_stats_list.Viol_total 569.461
_Distance_constraint_stats_list.Viol_max 0.185
_Distance_constraint_stats_list.Viol_rms 0.0289
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0509
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . ]"
1 2 CYS 0.068 0.026 8 0 "[ . ]"
1 3 GLN 0.074 0.037 8 0 "[ . ]"
1 4 ALA 0.208 0.085 9 0 "[ . ]"
1 5 SER 0.000 0.000 . 0 "[ . ]"
1 6 GLN 1.699 0.164 4 0 "[ . ]"
1 7 LEU 0.482 0.058 6 0 "[ . ]"
1 8 ALA 1.204 0.126 5 0 "[ . ]"
1 9 VAL 1.974 0.126 5 0 "[ . ]"
1 10 CYS 1.265 0.098 7 0 "[ . ]"
1 11 ALA 1.727 0.098 7 0 "[ . ]"
1 12 SER 1.441 0.065 1 0 "[ . ]"
1 13 ALA 0.817 0.107 6 0 "[ . ]"
1 14 ILE 0.777 0.070 9 0 "[ . ]"
1 15 LEU 0.064 0.013 2 0 "[ . ]"
1 16 SER 0.000 0.000 . 0 "[ . ]"
1 17 GLY 0.000 0.000 . 0 "[ . ]"
1 18 ALA 1.048 0.119 8 0 "[ . ]"
1 19 LYS 1.229 0.119 8 0 "[ . ]"
1 20 PRO 0.000 0.000 . 0 "[ . ]"
1 21 SER 0.288 0.064 3 0 "[ . ]"
1 22 GLY 0.079 0.064 3 0 "[ . ]"
1 23 GLU 1.613 0.171 4 0 "[ . ]"
1 24 CYS 1.344 0.125 1 0 "[ . ]"
1 25 CYS 0.588 0.125 1 0 "[ . ]"
1 26 GLY 0.048 0.015 3 0 "[ . ]"
1 27 ASN 2.616 0.127 9 0 "[ . ]"
1 28 LEU 3.361 0.127 9 0 "[ . ]"
1 29 ARG 4.510 0.148 9 0 "[ . ]"
1 30 ALA 2.186 0.118 9 0 "[ . ]"
1 31 GLN 2.150 0.148 9 0 "[ . ]"
1 32 GLN 2.428 0.145 5 0 "[ . ]"
1 33 GLY 1.072 0.083 5 0 "[ . ]"
1 34 CYS 4.498 0.181 5 0 "[ . ]"
1 35 PHE 4.126 0.185 5 0 "[ . ]"
1 36 CYS 2.058 0.185 5 0 "[ . ]"
1 37 GLN 2.248 0.114 1 0 "[ . ]"
1 38 TYR 0.695 0.082 2 0 "[ . ]"
1 39 ALA 0.997 0.063 5 0 "[ . ]"
1 40 LYS 0.788 0.062 2 0 "[ . ]"
1 41 ASP 0.426 0.060 2 0 "[ . ]"
1 42 PRO 0.093 0.042 6 0 "[ . ]"
1 43 THR 0.359 0.057 8 0 "[ . ]"
1 44 TYR 0.097 0.026 5 0 "[ . ]"
1 45 GLY 0.101 0.026 5 0 "[ . ]"
1 46 GLN 0.753 0.075 4 0 "[ . ]"
1 47 TYR 2.206 0.164 6 0 "[ . ]"
1 48 ILE 0.508 0.049 6 0 "[ . ]"
1 49 ARG 1.074 0.164 5 0 "[ . ]"
1 50 SER 2.941 0.164 5 0 "[ . ]"
1 51 PRO 0.449 0.061 8 0 "[ . ]"
1 52 HIS 0.794 0.073 2 0 "[ . ]"
1 53 ALA 2.279 0.120 9 0 "[ . ]"
1 54 ARG 3.085 0.120 9 0 "[ . ]"
1 55 ASP 3.381 0.163 3 0 "[ . ]"
1 56 THR 3.290 0.185 3 0 "[ . ]"
1 57 LEU 3.701 0.118 3 0 "[ . ]"
1 58 THR 2.642 0.118 3 0 "[ . ]"
1 59 SER 3.371 0.167 2 0 "[ . ]"
1 60 CYS 2.836 0.174 3 0 "[ . ]"
1 61 GLY 0.674 0.072 3 0 "[ . ]"
1 62 LEU 1.418 0.115 3 0 "[ . ]"
1 63 ALA 1.001 0.086 4 0 "[ . ]"
1 64 VAL 1.709 0.181 8 0 "[ . ]"
1 65 PRO 1.153 0.146 3 0 "[ . ]"
1 66 HIS 1.215 0.146 3 0 "[ . ]"
1 67 CYS 0.000 0.000 . 0 "[ . ]"
2 1 PGM 0.002 0.001 6 0 "[ . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 CYS H 2.600 . 3.400 2.447 2.167 2.882 . 0 0 "[ . ]" 1
2 1 1 ALA MB 1 2 CYS H 3.000 . 4.200 3.321 2.294 3.677 . 0 0 "[ . ]" 1
3 1 2 CYS H 1 3 GLN H 2.700 . 3.600 3.126 2.305 3.602 0.002 5 0 "[ . ]" 1
4 1 2 CYS QB 1 34 CYS HB3 2.700 . 3.600 3.374 2.416 3.626 0.026 8 0 "[ . ]" 1
5 1 2 CYS QB 1 38 TYR QE 3.500 . 5.200 3.648 2.488 5.206 0.006 2 0 "[ . ]" 1
6 1 3 GLN H 1 3 GLN QB 2.300 . 2.800 2.418 2.102 2.837 0.037 8 0 "[ . ]" 1
7 1 3 GLN H 1 3 GLN QG 3.200 . 4.600 3.586 2.082 4.323 . 0 0 "[ . ]" 1
8 1 3 GLN HA 1 3 GLN QG 3.600 . 5.400 2.264 2.063 2.545 . 0 0 "[ . ]" 1
9 1 3 GLN HA 1 4 ALA H 2.700 . 3.600 3.081 2.149 3.569 . 0 0 "[ . ]" 1
10 1 3 GLN QB 1 4 ALA H 2.700 . 3.600 2.939 2.261 3.627 0.027 6 0 "[ . ]" 1
11 1 3 GLN QB 1 6 GLN H 2.700 . 3.600 2.842 2.437 3.161 . 0 0 "[ . ]" 1
12 1 3 GLN QG 1 4 ALA H 3.200 . 4.600 3.867 2.080 4.393 . 0 0 "[ . ]" 1
13 1 3 GLN QG 1 6 GLN H 3.200 . 4.600 4.085 3.532 4.546 . 0 0 "[ . ]" 1
14 1 4 ALA H 1 4 ALA HA 2.300 . 2.800 2.471 2.275 2.885 0.085 9 0 "[ . ]" 1
15 1 4 ALA H 1 4 ALA MB 2.800 . 3.800 2.620 2.054 2.939 . 0 0 "[ . ]" 1
16 1 4 ALA H 1 5 SER H 2.300 . 2.800 2.601 2.348 2.695 . 0 0 "[ . ]" 1
17 1 4 ALA H 1 38 TYR QE 3.900 . 6.000 4.734 3.642 5.668 . 0 0 "[ . ]" 1
18 1 4 ALA HA 1 5 SER H 2.700 . 3.600 3.132 2.895 3.476 . 0 0 "[ . ]" 1
19 1 4 ALA HA 1 38 TYR QE 3.900 . 6.000 4.255 3.712 5.184 . 0 0 "[ . ]" 1
20 1 4 ALA MB 1 5 SER H 2.800 . 3.800 3.411 2.911 3.636 . 0 0 "[ . ]" 1
21 1 4 ALA MB 1 38 TYR QD 4.400 . 7.000 5.702 5.226 6.451 . 0 0 "[ . ]" 1
22 1 4 ALA MB 1 38 TYR QE 4.000 . 6.200 4.052 3.579 4.899 . 0 0 "[ . ]" 1
23 1 4 ALA MB 1 44 TYR QE 4.000 . 6.200 4.292 3.759 5.076 . 0 0 "[ . ]" 1
24 1 5 SER H 1 5 SER QB 2.700 . 3.600 2.543 2.096 2.909 . 0 0 "[ . ]" 1
25 1 5 SER H 1 6 GLN H 2.300 . 2.800 2.080 1.816 2.740 . 0 0 "[ . ]" 1
26 1 5 SER QB 1 6 GLN H 2.700 . 3.600 3.080 2.689 3.596 . 0 0 "[ . ]" 1
27 1 6 GLN H 1 6 GLN HA 2.200 . 2.700 2.832 2.802 2.864 0.164 4 0 "[ . ]" 1
28 1 6 GLN H 1 6 GLN QB 2.300 . 2.800 2.304 2.175 2.417 . 0 0 "[ . ]" 1
29 1 6 GLN H 1 6 GLN QG 2.300 . 2.800 2.601 2.413 2.795 . 0 0 "[ . ]" 1
30 1 6 GLN H 1 7 LEU H 2.700 . 3.600 2.600 2.304 3.318 . 0 0 "[ . ]" 1
31 1 6 GLN H 1 7 LEU QD 3.200 . 4.600 3.978 3.928 4.048 . 0 0 "[ . ]" 1
32 1 6 GLN H 1 7 LEU HG 2.600 . 3.400 3.437 3.414 3.458 0.058 6 0 "[ . ]" 1
33 1 6 GLN H 1 9 VAL QG 3.700 . 5.600 5.571 5.411 5.610 0.010 5 0 "[ . ]" 1
34 1 6 GLN HA 1 6 GLN QG 2.300 . 2.800 2.366 2.174 2.563 . 0 0 "[ . ]" 1
35 1 6 GLN HA 1 7 LEU H 2.700 . 3.600 3.304 2.699 3.469 . 0 0 "[ . ]" 1
36 1 6 GLN HA 1 27 ASN HD21 2.700 . 3.600 3.549 3.302 3.606 0.006 3 0 "[ . ]" 1
37 1 6 GLN QB 1 6 GLN QG 2.300 . 2.800 2.044 2.018 2.086 . 0 0 "[ . ]" 1
38 1 6 GLN QB 1 27 ASN HD21 2.700 . 3.600 3.063 2.273 3.608 0.008 5 0 "[ . ]" 1
39 1 6 GLN QB 1 31 GLN HE21 2.700 . 3.600 3.535 3.446 3.613 0.013 8 0 "[ . ]" 1
40 1 6 GLN QB 1 31 GLN HE22 2.700 . 3.600 3.604 3.550 3.618 0.018 7 0 "[ . ]" 1
41 1 7 LEU H 1 7 LEU HA 2.700 . 3.600 2.931 2.899 2.944 . 0 0 "[ . ]" 1
42 1 7 LEU H 1 7 LEU QB 2.600 . 3.400 2.781 2.702 2.866 . 0 0 "[ . ]" 1
43 1 7 LEU H 1 7 LEU QD 3.600 . 5.400 3.116 2.982 3.630 . 0 0 "[ . ]" 1
44 1 7 LEU H 1 7 LEU HG 2.700 . 3.600 2.225 1.965 3.198 . 0 0 "[ . ]" 1
45 1 7 LEU H 1 8 ALA H 2.700 . 3.600 2.045 1.884 2.206 . 0 0 "[ . ]" 1
46 1 7 LEU HA 1 7 LEU QB 2.300 . 2.800 2.241 2.208 2.335 . 0 0 "[ . ]" 1
47 1 7 LEU HA 1 7 LEU QD 3.200 . 4.600 2.421 1.974 2.603 . 0 0 "[ . ]" 1
48 1 7 LEU HA 1 7 LEU HG 2.700 . 3.600 3.255 3.119 3.329 . 0 0 "[ . ]" 1
49 1 7 LEU QB 1 7 LEU HG 2.300 . 2.800 2.436 2.391 2.453 . 0 0 "[ . ]" 1
50 1 7 LEU QD 1 27 ASN HA 3.600 . 5.400 4.997 4.470 5.397 . 0 0 "[ . ]" 1
51 1 7 LEU QD 1 27 ASN QB 2.800 . 3.800 3.147 2.756 3.548 . 0 0 "[ . ]" 1
52 1 7 LEU QD 1 28 LEU H 3.200 . 4.600 3.531 3.134 4.281 . 0 0 "[ . ]" 1
53 1 7 LEU QD 1 28 LEU HA 2.800 . 3.800 2.547 2.108 3.627 . 0 0 "[ . ]" 1
54 1 7 LEU QD 1 28 LEU HG 3.200 . 4.600 4.479 3.380 4.627 0.027 6 0 "[ . ]" 1
55 1 7 LEU QD 1 31 GLN HE21 3.200 . 4.600 3.455 2.128 3.915 . 0 0 "[ . ]" 1
56 1 7 LEU QD 1 31 GLN HE22 3.200 . 4.600 2.684 1.905 2.956 . 0 0 "[ . ]" 1
57 1 7 LEU QD 1 35 PHE QD 4.000 . 6.200 3.716 3.139 4.664 . 0 0 "[ . ]" 1
58 1 7 LEU QD 1 35 PHE QE 4.000 . 6.200 5.079 4.549 6.214 0.014 5 0 "[ . ]" 1
59 1 7 LEU QD 1 38 TYR QD 4.400 . 7.000 3.280 2.608 3.816 . 0 0 "[ . ]" 1
60 1 7 LEU QD 1 38 TYR QE 4.400 . 7.000 2.916 2.028 3.618 . 0 0 "[ . ]" 1
61 1 7 LEU HG 1 31 GLN HE22 2.700 . 3.600 3.542 3.437 3.603 0.003 2 0 "[ . ]" 1
62 1 7 LEU HG 1 38 TYR QE 3.900 . 6.000 5.191 4.100 5.973 . 0 0 "[ . ]" 1
63 1 8 ALA H 1 8 ALA HA 2.200 . 2.700 2.727 2.717 2.734 0.034 9 0 "[ . ]" 1
64 1 8 ALA H 1 8 ALA MB 3.100 . 4.400 2.175 2.067 2.237 . 0 0 "[ . ]" 1
65 1 8 ALA HA 1 9 VAL H 2.600 . 3.400 3.506 3.480 3.526 0.126 5 0 "[ . ]" 1
66 1 8 ALA MB 1 9 VAL H 2.800 . 3.800 2.435 2.160 2.677 . 0 0 "[ . ]" 1
67 1 8 ALA MB 1 9 VAL HA 3.200 . 4.600 3.739 3.636 3.821 . 0 0 "[ . ]" 1
68 1 9 VAL H 1 9 VAL HA 2.200 . 2.700 2.769 2.744 2.797 0.097 9 0 "[ . ]" 1
69 1 9 VAL H 1 9 VAL HB 2.300 . 2.800 2.519 2.502 2.567 . 0 0 "[ . ]" 1
70 1 9 VAL H 1 9 VAL QG 2.800 . 3.800 2.108 1.963 2.326 . 0 0 "[ . ]" 1
71 1 9 VAL H 1 10 CYS H 2.700 . 3.600 2.681 2.584 2.754 . 0 0 "[ . ]" 1
72 1 9 VAL HA 1 9 VAL HB 2.300 . 2.800 2.449 2.441 2.454 . 0 0 "[ . ]" 1
73 1 9 VAL HA 1 9 VAL QG 2.800 . 3.800 2.230 2.205 2.271 . 0 0 "[ . ]" 1
74 1 9 VAL HA 1 10 CYS H 2.600 . 3.400 3.440 3.433 3.448 0.048 5 0 "[ . ]" 1
75 1 9 VAL QG 1 10 CYS H 3.200 . 4.600 2.302 2.010 2.377 . 0 0 "[ . ]" 1
76 1 9 VAL QG 1 24 CYS H 3.200 . 4.600 3.937 3.386 4.330 . 0 0 "[ . ]" 1
77 1 9 VAL QG 1 24 CYS HA 2.800 . 3.800 3.213 3.027 3.378 . 0 0 "[ . ]" 1
78 1 9 VAL QG 1 24 CYS QB 3.200 . 4.600 3.427 3.105 3.704 . 0 0 "[ . ]" 1
79 1 9 VAL QG 1 27 ASN HD21 3.200 . 4.600 4.059 2.821 4.596 . 0 0 "[ . ]" 1
80 1 9 VAL QG 1 27 ASN HD22 3.200 . 4.600 3.466 2.944 3.967 . 0 0 "[ . ]" 1
81 1 10 CYS H 1 10 CYS HB2 2.300 . 2.800 2.361 2.283 2.415 . 0 0 "[ . ]" 1
82 1 10 CYS H 1 10 CYS HB3 2.600 . 3.400 2.783 2.773 2.801 . 0 0 "[ . ]" 1
83 1 10 CYS H 1 11 ALA H 2.300 . 2.800 2.317 2.226 2.451 . 0 0 "[ . ]" 1
84 1 10 CYS HA 1 10 CYS HB2 2.700 . 3.600 2.626 2.622 2.629 . 0 0 "[ . ]" 1
85 1 10 CYS HA 1 10 CYS HB3 2.700 . 3.600 2.995 2.994 2.999 . 0 0 "[ . ]" 1
86 1 10 CYS HA 1 13 ALA MB 3.200 . 4.600 3.895 3.617 4.611 0.011 6 0 "[ . ]" 1
87 1 10 CYS HB2 1 11 ALA H 2.700 . 3.600 3.679 3.638 3.698 0.098 7 0 "[ . ]" 1
88 1 10 CYS HB2 1 14 ILE MD 2.800 . 3.800 3.820 3.805 3.832 0.032 2 0 "[ . ]" 1
89 1 10 CYS HB3 1 11 ALA H 2.700 . 3.600 2.794 2.684 2.849 . 0 0 "[ . ]" 1
90 1 10 CYS HB3 1 14 ILE MD 2.800 . 3.800 2.513 2.478 2.558 . 0 0 "[ . ]" 1
91 1 11 ALA H 1 11 ALA HA 2.200 . 2.700 2.712 2.704 2.726 0.026 6 0 "[ . ]" 1
92 1 11 ALA H 1 11 ALA MB 2.800 . 3.800 2.139 2.039 2.246 . 0 0 "[ . ]" 1
93 1 11 ALA H 1 12 SER H 2.300 . 2.800 2.842 2.807 2.856 0.056 7 0 "[ . ]" 1
94 1 11 ALA HA 1 12 SER H 2.600 . 3.400 3.459 3.454 3.462 0.062 4 0 "[ . ]" 1
95 1 11 ALA HA 1 14 ILE H 2.700 . 3.600 2.943 2.802 3.090 . 0 0 "[ . ]" 1
96 1 11 ALA HA 1 14 ILE MD 3.200 . 4.600 2.147 1.929 3.559 . 0 0 "[ . ]" 1
97 1 11 ALA HA 1 47 TYR QD 3.900 . 6.000 4.095 3.664 4.371 . 0 0 "[ . ]" 1
98 1 11 ALA HA 1 47 TYR QE 3.500 . 5.200 2.221 1.958 2.988 . 0 0 "[ . ]" 1
99 1 11 ALA MB 1 12 SER H 2.800 . 3.800 2.794 2.739 2.880 . 0 0 "[ . ]" 1
100 1 11 ALA MB 1 47 TYR QD 4.400 . 7.000 3.572 3.040 3.989 . 0 0 "[ . ]" 1
101 1 11 ALA MB 1 47 TYR QE 4.000 . 6.200 1.990 1.845 2.121 . 0 0 "[ . ]" 1
102 1 12 SER H 1 12 SER HA 2.200 . 2.700 2.753 2.739 2.765 0.065 1 0 "[ . ]" 1
103 1 12 SER H 1 12 SER QB 2.600 . 3.400 2.328 2.109 2.683 . 0 0 "[ . ]" 1
104 1 12 SER H 1 13 ALA H 2.300 . 2.800 2.786 2.730 2.808 0.008 2 0 "[ . ]" 1
105 1 12 SER HA 1 12 SER QB 2.300 . 2.800 2.420 2.297 2.504 . 0 0 "[ . ]" 1
106 1 12 SER QB 1 13 ALA H 2.300 . 2.800 2.679 2.505 2.818 0.018 6 0 "[ . ]" 1
107 1 12 SER QB 1 18 ALA MB 2.800 . 3.800 3.504 2.972 3.807 0.007 6 0 "[ . ]" 1
108 1 13 ALA H 1 13 ALA HA 2.300 . 2.800 2.883 2.862 2.907 0.107 6 0 "[ . ]" 1
109 1 13 ALA H 1 13 ALA MB 2.800 . 3.800 2.258 2.103 2.623 . 0 0 "[ . ]" 1
110 1 13 ALA H 1 14 ILE H 2.300 . 2.800 2.316 2.131 2.420 . 0 0 "[ . ]" 1
111 1 13 ALA HA 1 14 ILE H 2.700 . 3.600 3.451 3.049 3.543 . 0 0 "[ . ]" 1
112 1 13 ALA HA 1 18 ALA H 2.300 . 2.800 2.669 2.283 2.805 0.005 8 0 "[ . ]" 1
113 1 13 ALA HA 1 18 ALA MB 2.800 . 3.800 3.632 3.384 3.806 0.006 8 0 "[ . ]" 1
114 1 13 ALA MB 1 14 ILE H 2.800 . 3.800 2.844 2.544 3.570 . 0 0 "[ . ]" 1
115 1 13 ALA MB 1 18 ALA H 3.200 . 4.600 3.959 2.538 4.312 . 0 0 "[ . ]" 1
116 1 13 ALA MB 1 18 ALA MB 3.300 . 4.800 4.039 3.250 4.327 . 0 0 "[ . ]" 1
117 1 13 ALA MB 1 20 PRO HA 2.800 . 3.800 2.706 2.296 3.056 . 0 0 "[ . ]" 1
118 1 13 ALA MB 1 20 PRO QB 3.300 . 4.800 3.762 2.545 4.384 . 0 0 "[ . ]" 1
119 1 14 ILE H 1 14 ILE HA 2.700 . 3.600 2.848 2.804 2.882 . 0 0 "[ . ]" 1
120 1 14 ILE H 1 14 ILE HB 2.800 . 3.800 2.408 2.293 2.477 . 0 0 "[ . ]" 1
121 1 14 ILE H 1 14 ILE MD 3.200 . 4.600 2.262 1.929 4.062 . 0 0 "[ . ]" 1
122 1 14 ILE H 1 14 ILE QG 3.200 . 4.600 3.250 3.026 4.067 . 0 0 "[ . ]" 1
123 1 14 ILE H 1 15 LEU H 2.300 . 2.800 2.762 2.490 2.813 0.013 2 0 "[ . ]" 1
124 1 14 ILE HA 1 14 ILE HB 2.700 . 3.600 2.969 2.592 3.024 . 0 0 "[ . ]" 1
125 1 14 ILE HA 1 14 ILE MD 3.200 . 4.600 3.146 2.753 3.320 . 0 0 "[ . ]" 1
126 1 14 ILE HA 1 14 ILE QG 2.800 . 3.800 2.237 2.139 2.298 . 0 0 "[ . ]" 1
127 1 14 ILE HA 1 15 LEU H 2.700 . 3.600 3.568 3.549 3.574 . 0 0 "[ . ]" 1
128 1 14 ILE HA 1 52 HIS QB 2.700 . 3.600 3.391 2.990 3.605 0.005 6 0 "[ . ]" 1
129 1 14 ILE HB 1 14 ILE MD 3.300 . 4.800 2.144 2.077 2.305 . 0 0 "[ . ]" 1
130 1 14 ILE HB 1 15 LEU QD 3.200 . 4.600 3.951 3.724 4.127 . 0 0 "[ . ]" 1
131 1 14 ILE MD 1 47 TYR QD 4.000 . 6.200 3.767 3.152 3.986 . 0 0 "[ . ]" 1
132 1 14 ILE QG 1 15 LEU H 3.200 . 4.600 4.204 3.984 4.323 . 0 0 "[ . ]" 1
133 1 14 ILE QG 1 47 TYR HB2 3.700 . 5.600 4.918 4.495 5.157 . 0 0 "[ . ]" 1
134 1 14 ILE QG 1 47 TYR HB3 3.200 . 4.600 4.644 4.614 4.670 0.070 9 0 "[ . ]" 1
135 1 14 ILE QG 1 47 TYR QD 4.000 . 6.200 3.014 2.519 3.135 . 0 0 "[ . ]" 1
136 1 14 ILE QG 1 47 TYR QE 4.400 . 7.000 2.711 2.533 2.837 . 0 0 "[ . ]" 1
137 1 14 ILE QG 1 53 ALA HA 2.300 . 2.800 2.815 2.803 2.832 0.032 8 0 "[ . ]" 1
138 1 14 ILE QG 1 53 ALA MB 2.800 . 3.800 2.252 1.937 2.725 . 0 0 "[ . ]" 1
139 1 15 LEU H 1 15 LEU HA 2.700 . 3.600 2.838 2.764 2.880 . 0 0 "[ . ]" 1
140 1 15 LEU H 1 15 LEU QB 2.700 . 3.600 2.362 2.231 2.534 . 0 0 "[ . ]" 1
141 1 15 LEU H 1 15 LEU QD 3.200 . 4.600 3.023 1.957 3.365 . 0 0 "[ . ]" 1
142 1 15 LEU H 1 15 LEU HG 2.300 . 2.800 2.541 2.331 2.801 0.001 1 0 "[ . ]" 1
143 1 15 LEU H 1 16 SER H 2.700 . 3.600 3.049 2.784 3.318 . 0 0 "[ . ]" 1
144 1 15 LEU HA 1 15 LEU QD 3.200 . 4.600 2.234 1.964 3.075 . 0 0 "[ . ]" 1
145 1 15 LEU HA 1 15 LEU HG 2.700 . 3.600 2.816 2.574 2.972 . 0 0 "[ . ]" 1
146 1 15 LEU HA 1 16 SER H 2.700 . 3.600 3.553 3.544 3.568 . 0 0 "[ . ]" 1
147 1 15 LEU QB 1 15 LEU HG 2.300 . 2.800 2.429 2.367 2.527 . 0 0 "[ . ]" 1
148 1 15 LEU QB 1 16 SER H 2.700 . 3.600 1.954 1.922 2.000 . 0 0 "[ . ]" 1
149 1 15 LEU QD 1 47 TYR HA 3.200 . 4.600 4.126 3.064 4.602 0.002 8 0 "[ . ]" 1
150 1 15 LEU QD 1 47 TYR QD 4.000 . 6.200 3.306 2.817 3.821 . 0 0 "[ . ]" 1
151 1 15 LEU QD 1 47 TYR QE 4.400 . 7.000 3.584 3.020 4.508 . 0 0 "[ . ]" 1
152 1 15 LEU HG 1 47 TYR QD 3.500 . 5.200 3.557 2.901 4.265 . 0 0 "[ . ]" 1
153 1 15 LEU HG 1 47 TYR QE 3.500 . 5.200 3.846 2.844 5.204 0.004 6 0 "[ . ]" 1
154 1 16 SER H 1 16 SER QB 2.700 . 3.600 2.276 2.081 2.871 . 0 0 "[ . ]" 1
155 1 16 SER QB 1 18 ALA H 2.800 . 3.800 2.819 2.347 3.320 . 0 0 "[ . ]" 1
156 1 17 GLY H 1 18 ALA H 2.300 . 2.800 2.117 1.981 2.245 . 0 0 "[ . ]" 1
157 1 18 ALA H 1 18 ALA HA 2.300 . 2.800 2.799 2.784 2.825 0.025 5 0 "[ . ]" 1
158 1 18 ALA H 1 18 ALA MB 2.800 . 3.800 2.120 2.023 2.234 . 0 0 "[ . ]" 1
159 1 18 ALA H 1 19 LYS H 2.700 . 3.600 3.030 2.657 3.181 . 0 0 "[ . ]" 1
160 1 18 ALA HA 1 19 LYS H 2.600 . 3.400 3.509 3.502 3.519 0.119 8 0 "[ . ]" 1
161 1 18 ALA MB 1 19 LYS H 2.800 . 3.800 2.114 1.926 2.509 . 0 0 "[ . ]" 1
162 1 19 LYS H 1 19 LYS HA 2.300 . 2.800 2.819 2.782 2.863 0.063 2 0 "[ . ]" 1
163 1 19 LYS H 1 19 LYS QD 2.800 . 3.800 3.227 2.271 3.756 . 0 0 "[ . ]" 1
164 1 19 LYS H 1 19 LYS QE 3.200 . 4.600 4.109 3.446 4.605 0.005 6 0 "[ . ]" 1
165 1 19 LYS H 1 19 LYS QG 2.700 . 3.600 2.714 2.405 3.651 0.051 2 0 "[ . ]" 1
166 1 19 LYS HA 1 19 LYS QD 3.200 . 4.600 3.734 3.506 3.954 . 0 0 "[ . ]" 1
167 1 19 LYS HA 1 19 LYS QE 3.600 . 5.400 5.001 4.072 5.369 . 0 0 "[ . ]" 1
168 1 19 LYS HA 1 19 LYS QG 3.100 . 4.400 3.273 2.429 3.448 . 0 0 "[ . ]" 1
169 1 19 LYS HA 1 20 PRO QD 2.300 . 2.800 2.034 1.915 2.180 . 0 0 "[ . ]" 1
170 1 20 PRO HA 1 20 PRO QD 3.100 . 4.400 3.366 3.308 3.401 . 0 0 "[ . ]" 1
171 1 20 PRO HA 1 20 PRO QG 2.700 . 3.600 3.232 2.882 3.504 . 0 0 "[ . ]" 1
172 1 20 PRO HA 1 21 SER H 2.300 . 2.800 2.620 2.533 2.719 . 0 0 "[ . ]" 1
173 1 20 PRO QB 1 20 PRO QD 3.200 . 4.600 2.759 2.750 2.768 . 0 0 "[ . ]" 1
174 1 20 PRO QB 1 21 SER H 2.800 . 3.800 2.184 1.967 2.423 . 0 0 "[ . ]" 1
175 1 20 PRO QD 1 20 PRO QG 2.300 . 2.800 1.968 1.965 1.971 . 0 0 "[ . ]" 1
176 1 21 SER H 1 21 SER HA 2.300 . 2.800 2.821 2.811 2.850 0.050 8 0 "[ . ]" 1
177 1 21 SER H 1 21 SER QB 2.700 . 3.600 3.017 2.888 3.413 . 0 0 "[ . ]" 1
178 1 21 SER H 1 22 GLY H 3.000 . 4.200 4.162 4.096 4.264 0.064 3 0 "[ . ]" 1
179 1 21 SER H 1 24 CYS QB 2.700 . 3.600 3.570 3.476 3.610 0.010 8 0 "[ . ]" 1
180 1 21 SER HA 1 21 SER QB 2.300 . 2.800 2.431 2.177 2.510 . 0 0 "[ . ]" 1
181 1 21 SER HA 1 22 GLY H 2.300 . 2.800 2.271 2.161 2.805 0.005 3 0 "[ . ]" 1
182 1 21 SER QB 1 22 GLY H 2.700 . 3.600 3.103 2.215 3.457 . 0 0 "[ . ]" 1
183 1 21 SER QB 1 24 CYS H 2.700 . 3.600 2.927 2.621 3.420 . 0 0 "[ . ]" 1
184 1 22 GLY H 1 22 GLY QA 2.300 . 2.800 2.206 2.193 2.294 . 0 0 "[ . ]" 1
185 1 22 GLY H 1 23 GLU H 2.300 . 2.800 2.661 2.134 2.738 . 0 0 "[ . ]" 1
186 1 22 GLY QA 1 23 GLU H 2.700 . 3.600 2.803 2.687 2.841 . 0 0 "[ . ]" 1
187 1 22 GLY QA 1 25 CYS H 2.700 . 3.600 3.383 3.237 3.607 0.007 1 0 "[ . ]" 1
188 1 23 GLU H 1 23 GLU HA 2.300 . 2.800 2.754 2.723 2.780 . 0 0 "[ . ]" 1
189 1 23 GLU H 1 23 GLU HB2 2.600 . 3.400 2.162 2.152 2.177 . 0 0 "[ . ]" 1
190 1 23 GLU H 1 23 GLU HB3 2.600 . 3.400 2.846 2.813 2.888 . 0 0 "[ . ]" 1
191 1 23 GLU H 1 23 GLU QG 2.700 . 3.600 3.758 3.743 3.771 0.171 4 0 "[ . ]" 1
192 1 23 GLU H 1 24 CYS H 2.300 . 2.800 2.820 2.810 2.836 0.036 4 0 "[ . ]" 1
193 1 23 GLU HA 1 23 GLU HB2 2.700 . 3.600 2.619 2.618 2.621 . 0 0 "[ . ]" 1
194 1 23 GLU HA 1 23 GLU HB3 2.700 . 3.600 2.995 2.994 2.996 . 0 0 "[ . ]" 1
195 1 23 GLU HA 1 23 GLU QG 2.700 . 3.600 2.208 2.119 2.270 . 0 0 "[ . ]" 1
196 1 23 GLU HA 1 26 GLY H 2.700 . 3.600 3.440 3.197 3.609 0.009 3 0 "[ . ]" 1
197 1 24 CYS H 1 24 CYS HA 2.200 . 2.700 2.758 2.749 2.768 0.068 5 0 "[ . ]" 1
198 1 24 CYS H 1 24 CYS QB 2.300 . 2.800 2.251 2.237 2.257 . 0 0 "[ . ]" 1
199 1 24 CYS H 1 25 CYS H 2.700 . 3.600 2.752 2.692 2.991 . 0 0 "[ . ]" 1
200 1 24 CYS HA 1 24 CYS QB 2.300 . 2.800 2.345 2.320 2.379 . 0 0 "[ . ]" 1
201 1 24 CYS HA 1 25 CYS H 2.600 . 3.400 3.462 3.439 3.525 0.125 1 0 "[ . ]" 1
202 1 24 CYS HA 1 27 ASN H 2.700 . 3.600 3.534 3.307 3.618 0.018 6 0 "[ . ]" 1
203 1 24 CYS HA 1 27 ASN QB 2.700 . 3.600 2.699 2.238 3.164 . 0 0 "[ . ]" 1
204 1 24 CYS QB 1 25 CYS H 2.700 . 3.600 2.789 2.133 2.970 . 0 0 "[ . ]" 1
205 1 25 CYS H 1 25 CYS HA 2.700 . 3.600 2.838 2.765 2.875 . 0 0 "[ . ]" 1
206 1 25 CYS H 1 25 CYS QB 2.300 . 2.800 2.237 2.058 2.510 . 0 0 "[ . ]" 1
207 1 25 CYS H 1 26 GLY H 2.300 . 2.800 2.647 2.446 2.808 0.008 3 0 "[ . ]" 1
208 1 25 CYS HA 1 26 GLY H 3.100 . 4.400 3.542 3.460 3.570 . 0 0 "[ . ]" 1
209 1 25 CYS HA 1 28 LEU H 3.100 . 4.400 4.085 3.879 4.400 . 4 0 "[ . ]" 1
210 1 25 CYS QB 1 26 GLY H 2.700 . 3.600 2.624 2.121 3.611 0.011 1 0 "[ . ]" 1
211 1 26 GLY H 1 26 GLY QA 2.200 . 2.700 2.208 2.192 2.230 . 0 0 "[ . ]" 1
212 1 26 GLY H 1 27 ASN H 2.300 . 2.800 2.627 2.447 2.777 . 0 0 "[ . ]" 1
213 1 26 GLY QA 1 27 ASN H 2.600 . 3.400 2.774 2.705 2.844 . 0 0 "[ . ]" 1
214 1 26 GLY QA 1 29 ARG H 2.700 . 3.600 3.526 3.408 3.615 0.015 3 0 "[ . ]" 1
215 1 27 ASN H 1 27 ASN HA 2.200 . 2.700 2.792 2.758 2.813 0.113 7 0 "[ . ]" 1
216 1 27 ASN H 1 27 ASN QB 2.600 . 3.400 2.374 2.180 2.511 . 0 0 "[ . ]" 1
217 1 27 ASN H 1 27 ASN HD21 3.100 . 4.400 4.068 3.536 4.196 . 0 0 "[ . ]" 1
218 1 27 ASN H 1 27 ASN HD22 3.100 . 4.400 4.393 4.282 4.413 0.013 6 0 "[ . ]" 1
219 1 27 ASN H 1 28 LEU H 2.300 . 2.800 2.827 2.814 2.839 0.039 3 0 "[ . ]" 1
220 1 27 ASN HA 1 27 ASN HD21 3.100 . 4.400 2.574 2.193 4.239 . 0 0 "[ . ]" 1
221 1 27 ASN HA 1 27 ASN HD22 3.100 . 4.400 3.693 3.507 4.409 0.009 5 0 "[ . ]" 1
222 1 27 ASN HA 1 28 LEU H 2.600 . 3.400 3.520 3.515 3.527 0.127 9 0 "[ . ]" 1
223 1 27 ASN HA 1 30 ALA H 2.700 . 3.600 3.633 3.572 3.657 0.057 8 0 "[ . ]" 1
224 1 27 ASN HA 1 30 ALA MB 2.800 . 3.800 3.340 3.165 3.619 . 0 0 "[ . ]" 1
225 1 27 ASN QB 1 27 ASN HD21 2.300 . 2.800 2.378 2.115 2.485 . 0 0 "[ . ]" 1
226 1 27 ASN QB 1 27 ASN HD22 3.100 . 4.400 3.343 3.215 3.383 . 0 0 "[ . ]" 1
227 1 27 ASN QB 1 28 LEU H 2.700 . 3.600 2.170 2.034 2.377 . 0 0 "[ . ]" 1
228 1 28 LEU H 1 28 LEU HA 2.200 . 2.700 2.748 2.728 2.764 0.064 3 0 "[ . ]" 1
229 1 28 LEU H 1 28 LEU QB 2.300 . 2.800 2.358 2.026 2.577 . 0 0 "[ . ]" 1
230 1 28 LEU H 1 28 LEU QD 3.200 . 4.600 3.077 2.883 3.629 . 0 0 "[ . ]" 1
231 1 28 LEU H 1 28 LEU HG 2.700 . 3.600 2.596 2.081 3.657 0.057 5 0 "[ . ]" 1
232 1 28 LEU H 1 29 ARG H 2.300 . 2.800 2.738 2.693 2.810 0.010 5 0 "[ . ]" 1
233 1 28 LEU HA 1 28 LEU QD 3.200 . 4.600 3.221 2.388 3.397 . 0 0 "[ . ]" 1
234 1 28 LEU HA 1 28 LEU HG 2.700 . 3.600 3.493 2.346 3.650 0.050 2 0 "[ . ]" 1
235 1 28 LEU HA 1 29 ARG H 2.600 . 3.400 3.457 3.440 3.493 0.093 1 0 "[ . ]" 1
236 1 28 LEU HA 1 31 GLN H 2.700 . 3.600 3.464 3.327 3.594 . 0 0 "[ . ]" 1
237 1 28 LEU HA 1 31 GLN QB 2.700 . 3.600 3.360 3.090 3.629 0.029 6 0 "[ . ]" 1
238 1 28 LEU HA 1 35 PHE QD 3.500 . 5.200 3.968 3.543 4.239 . 0 0 "[ . ]" 1
239 1 28 LEU HA 1 35 PHE QE 3.500 . 5.200 5.151 4.863 5.244 0.044 5 0 "[ . ]" 1
240 1 28 LEU QB 1 28 LEU HG 2.300 . 2.800 2.470 2.393 2.498 . 0 0 "[ . ]" 1
241 1 28 LEU QB 1 29 ARG H 2.700 . 3.600 3.476 2.857 3.609 0.009 7 0 "[ . ]" 1
242 1 28 LEU QB 1 35 PHE QB 3.200 . 4.600 3.453 3.099 4.710 0.110 5 0 "[ . ]" 1
243 1 28 LEU QB 1 35 PHE QD 3.500 . 5.200 3.075 2.438 4.763 . 0 0 "[ . ]" 1
244 1 28 LEU QB 1 35 PHE QE 3.900 . 6.000 3.689 2.936 5.021 . 0 0 "[ . ]" 1
245 1 28 LEU QD 1 29 ARG HE 3.200 . 4.600 3.010 1.897 4.403 . 0 0 "[ . ]" 1
246 1 28 LEU QD 1 32 GLN H 3.200 . 4.600 3.585 3.201 4.218 . 0 0 "[ . ]" 1
247 1 28 LEU QD 1 32 GLN HE21 3.200 . 4.600 3.248 2.871 3.579 . 0 0 "[ . ]" 1
248 1 28 LEU QD 1 32 GLN HE22 2.800 . 3.800 3.815 3.761 3.868 0.068 5 0 "[ . ]" 1
249 1 28 LEU QD 1 35 PHE QD 4.000 . 6.200 2.803 2.099 3.346 . 0 0 "[ . ]" 1
250 1 28 LEU QD 1 35 PHE QE 4.000 . 6.200 2.380 1.820 2.851 . 0 0 "[ . ]" 1
251 1 28 LEU HG 1 35 PHE QD 3.500 . 5.200 5.067 4.160 5.238 0.038 9 0 "[ . ]" 1
252 1 29 ARG H 1 29 ARG HA 2.200 . 2.700 2.765 2.741 2.786 0.086 5 0 "[ . ]" 1
253 1 29 ARG H 1 29 ARG QB 2.800 . 3.800 2.105 2.019 2.509 . 0 0 "[ . ]" 1
254 1 29 ARG H 1 29 ARG QD 2.700 . 3.600 2.958 2.407 3.686 0.086 1 0 "[ . ]" 1
255 1 29 ARG H 1 29 ARG QG 2.700 . 3.600 3.478 2.013 3.691 0.091 9 0 "[ . ]" 1
256 1 29 ARG H 1 30 ALA H 2.300 . 2.800 2.752 2.675 2.822 0.022 1 0 "[ . ]" 1
257 1 29 ARG HA 1 29 ARG QD 2.700 . 3.600 2.820 1.944 3.618 0.018 8 0 "[ . ]" 1
258 1 29 ARG HA 1 29 ARG HE 2.700 . 3.600 3.172 2.150 3.661 0.061 9 0 "[ . ]" 1
259 1 29 ARG HA 1 29 ARG QG 2.300 . 2.800 2.347 1.990 2.666 . 0 0 "[ . ]" 1
260 1 29 ARG HA 1 30 ALA H 2.600 . 3.400 3.510 3.501 3.518 0.118 9 0 "[ . ]" 1
261 1 29 ARG HA 1 31 GLN H 2.700 . 3.600 3.703 3.673 3.748 0.148 9 0 "[ . ]" 1
262 1 29 ARG HA 1 32 GLN H 2.700 . 3.600 3.602 3.550 3.642 0.042 9 0 "[ . ]" 1
263 1 29 ARG HA 1 32 GLN QB 2.700 . 3.600 3.541 3.278 3.646 0.046 3 0 "[ . ]" 1
264 1 29 ARG HA 1 32 GLN HE21 2.700 . 3.600 2.273 1.803 2.680 . 0 0 "[ . ]" 1
265 1 29 ARG HA 1 32 GLN HE22 2.700 . 3.600 2.391 1.812 2.789 . 0 0 "[ . ]" 1
266 1 29 ARG HA 1 32 GLN QG 3.200 . 4.600 4.349 3.734 4.581 . 0 0 "[ . ]" 1
267 1 29 ARG HA 1 62 LEU QD 2.800 . 3.800 3.784 3.610 3.915 0.115 3 0 "[ . ]" 1
268 1 29 ARG QB 1 29 ARG QD 3.200 . 4.600 2.252 1.914 2.572 . 0 0 "[ . ]" 1
269 1 29 ARG QB 1 29 ARG HE 3.200 . 4.600 3.701 2.183 4.320 . 0 0 "[ . ]" 1
270 1 29 ARG QB 1 30 ALA H 2.800 . 3.800 2.533 2.317 2.650 . 0 0 "[ . ]" 1
271 1 29 ARG QB 1 32 GLN HE21 3.200 . 4.600 4.190 3.293 4.653 0.053 5 0 "[ . ]" 1
272 1 29 ARG QB 1 62 LEU QD 3.300 . 4.800 4.150 3.622 4.570 . 0 0 "[ . ]" 1
273 1 29 ARG QD 1 29 ARG HE 2.300 . 2.800 2.291 2.183 2.467 . 0 0 "[ . ]" 1
274 1 29 ARG QD 1 29 ARG QG 2.300 . 2.800 2.034 1.990 2.067 . 0 0 "[ . ]" 1
275 1 29 ARG QD 1 62 LEU QD 3.200 . 4.600 2.665 1.795 3.890 0.005 3 0 "[ . ]" 1
276 1 29 ARG HE 1 29 ARG QG 2.700 . 3.600 2.679 2.091 3.188 . 0 0 "[ . ]" 1
277 1 29 ARG QG 1 32 GLN HE21 2.700 . 3.600 3.325 2.843 3.682 0.082 1 0 "[ . ]" 1
278 1 29 ARG QG 1 32 GLN HE22 2.700 . 3.600 2.174 1.885 3.617 0.017 1 0 "[ . ]" 1
279 1 29 ARG QG 1 62 LEU QD 3.200 . 4.600 3.233 2.025 3.802 . 0 0 "[ . ]" 1
280 1 30 ALA H 1 30 ALA HA 2.200 . 2.700 2.755 2.743 2.773 0.073 8 0 "[ . ]" 1
281 1 30 ALA H 1 30 ALA MB 2.800 . 3.800 2.150 2.037 2.247 . 0 0 "[ . ]" 1
282 1 30 ALA H 1 31 GLN H 2.300 . 2.800 2.688 2.638 2.732 . 0 0 "[ . ]" 1
283 1 30 ALA HA 1 31 GLN H 2.600 . 3.400 3.438 3.430 3.445 0.045 2 0 "[ . ]" 1
284 1 30 ALA MB 1 31 GLN H 2.800 . 3.800 2.885 2.792 2.952 . 0 0 "[ . ]" 1
285 1 30 ALA MB 1 31 GLN QB 3.200 . 4.600 4.526 4.485 4.560 . 0 0 "[ . ]" 1
286 1 30 ALA MB 1 31 GLN QG 3.200 . 4.600 3.015 2.948 3.141 . 0 0 "[ . ]" 1
287 1 31 GLN H 1 31 GLN HA 2.700 . 3.600 2.888 2.886 2.892 . 0 0 "[ . ]" 1
288 1 31 GLN H 1 31 GLN QB 2.600 . 3.400 2.699 2.618 2.768 . 0 0 "[ . ]" 1
289 1 31 GLN H 1 31 GLN QG 2.700 . 3.600 2.088 1.958 2.206 . 0 0 "[ . ]" 1
290 1 31 GLN H 1 32 GLN H 2.300 . 2.800 2.807 2.799 2.821 0.021 2 0 "[ . ]" 1
291 1 31 GLN HA 1 31 GLN QG 2.700 . 3.600 2.685 2.552 2.856 . 0 0 "[ . ]" 1
292 1 31 GLN HA 1 32 GLN H 2.700 . 3.600 3.557 3.544 3.564 . 0 0 "[ . ]" 1
293 1 31 GLN HA 1 33 GLY H 2.700 . 3.600 3.641 3.630 3.654 0.054 8 0 "[ . ]" 1
294 1 31 GLN QB 1 31 GLN HE21 2.700 . 3.600 3.025 2.958 3.142 . 0 0 "[ . ]" 1
295 1 31 GLN QB 1 31 GLN HE22 2.700 . 3.600 3.634 3.612 3.670 0.070 9 0 "[ . ]" 1
296 1 31 GLN QB 1 31 GLN QG 2.300 . 2.800 2.047 2.017 2.074 . 0 0 "[ . ]" 1
297 1 31 GLN QB 1 32 GLN H 3.100 . 4.400 1.884 1.821 1.910 . 0 0 "[ . ]" 1
298 1 31 GLN QB 1 38 TYR QE 3.900 . 6.000 5.200 4.733 5.733 . 0 0 "[ . ]" 1
299 1 31 GLN HE21 1 31 GLN QG 2.700 . 3.600 2.171 2.130 2.209 . 0 0 "[ . ]" 1
300 1 31 GLN HE22 1 31 GLN QG 2.700 . 3.600 3.278 3.259 3.292 . 0 0 "[ . ]" 1
301 1 31 GLN QG 1 32 GLN H 2.700 . 3.600 3.366 3.215 3.512 . 0 0 "[ . ]" 1
302 1 32 GLN H 1 32 GLN HA 2.700 . 3.600 2.272 2.261 2.278 . 0 0 "[ . ]" 1
303 1 32 GLN H 1 32 GLN QB 2.300 . 2.800 2.804 2.781 2.826 0.026 1 0 "[ . ]" 1
304 1 32 GLN H 1 32 GLN QG 2.800 . 3.800 3.843 3.675 3.945 0.145 5 0 "[ . ]" 1
305 1 32 GLN H 1 33 GLY H 2.300 . 2.800 2.809 2.776 2.825 0.025 2 0 "[ . ]" 1
306 1 32 GLN HA 1 32 GLN QB 2.300 . 2.800 2.502 2.485 2.517 . 0 0 "[ . ]" 1
307 1 32 GLN HA 1 32 GLN QG 2.800 . 3.800 2.047 2.023 2.144 . 0 0 "[ . ]" 1
308 1 32 GLN HA 1 33 GLY H 3.100 . 4.400 3.040 3.005 3.063 . 0 0 "[ . ]" 1
309 1 32 GLN QB 1 32 GLN HE21 2.300 . 2.800 2.575 2.043 2.819 0.019 1 0 "[ . ]" 1
310 1 32 GLN QB 1 32 GLN HE22 2.700 . 3.600 3.419 3.180 3.515 . 0 0 "[ . ]" 1
311 1 32 GLN QB 1 33 GLY H 2.700 . 3.600 3.661 3.633 3.683 0.083 5 0 "[ . ]" 1
312 1 32 GLN QB 1 35 PHE QD 3.500 . 5.200 4.796 4.252 5.308 0.108 6 0 "[ . ]" 1
313 1 32 GLN QB 1 35 PHE QE 3.500 . 5.200 4.543 3.589 5.240 0.040 2 0 "[ . ]" 1
314 1 32 GLN HE22 1 32 GLN QG 3.200 . 4.600 3.368 3.316 3.443 . 0 0 "[ . ]" 1
315 1 32 GLN QG 1 33 GLY H 3.200 . 4.600 4.569 4.531 4.602 0.002 1 0 "[ . ]" 1
316 1 32 GLN QG 1 35 PHE QD 4.400 . 7.000 4.735 3.698 5.558 . 0 0 "[ . ]" 1
317 1 32 GLN QG 1 35 PHE QE 4.000 . 6.200 3.807 3.468 4.297 . 0 0 "[ . ]" 1
318 1 33 GLY H 1 33 GLY QA 2.300 . 2.800 2.459 2.396 2.501 . 0 0 "[ . ]" 1
319 1 33 GLY H 1 34 CYS H 2.300 . 2.800 2.361 1.789 2.813 0.013 9 0 "[ . ]" 1
320 1 33 GLY H 1 35 PHE H 2.700 . 3.600 2.955 2.663 3.305 . 0 0 "[ . ]" 1
321 1 33 GLY QA 1 34 CYS H 2.700 . 3.600 2.537 2.302 2.829 . 0 0 "[ . ]" 1
322 1 34 CYS H 1 34 CYS HA 2.200 . 2.700 2.821 2.771 2.881 0.181 5 0 "[ . ]" 1
323 1 34 CYS H 1 34 CYS HB2 2.300 . 2.800 2.518 2.227 2.879 0.079 8 0 "[ . ]" 1
324 1 34 CYS H 1 34 CYS HB3 2.600 . 3.400 2.877 2.823 2.935 . 0 0 "[ . ]" 1
325 1 34 CYS H 1 35 PHE H 2.300 . 2.800 2.255 1.794 2.646 0.006 7 0 "[ . ]" 1
326 1 34 CYS HA 1 34 CYS HB2 2.700 . 3.600 2.603 2.591 2.612 . 0 0 "[ . ]" 1
327 1 34 CYS HA 1 34 CYS HB3 2.300 . 2.800 2.950 2.943 2.961 0.161 3 0 "[ . ]" 1
328 1 34 CYS HA 1 35 PHE H 2.600 . 3.400 3.464 3.443 3.482 0.082 6 0 "[ . ]" 1
329 1 34 CYS HA 1 37 GLN H 2.700 . 3.600 3.395 2.805 3.604 0.004 6 0 "[ . ]" 1
330 1 34 CYS HB2 1 35 PHE H 2.700 . 3.600 3.643 3.625 3.664 0.064 8 0 "[ . ]" 1
331 1 34 CYS HB2 1 38 TYR QE 3.500 . 5.200 4.807 4.205 5.213 0.013 2 0 "[ . ]" 1
332 1 34 CYS HB3 1 37 GLN QE 2.700 . 3.600 3.669 3.562 3.704 0.104 2 0 "[ . ]" 1
333 1 34 CYS HB3 1 38 TYR QE 3.900 . 6.000 3.387 2.783 3.730 . 0 0 "[ . ]" 1
334 1 35 PHE H 1 35 PHE HA 2.700 . 3.600 2.773 2.748 2.814 . 0 0 "[ . ]" 1
335 1 35 PHE H 1 35 PHE QB 2.600 . 3.400 2.358 2.004 2.825 . 0 0 "[ . ]" 1
336 1 35 PHE H 1 35 PHE QD 3.500 . 5.200 3.241 1.903 4.032 . 0 0 "[ . ]" 1
337 1 35 PHE H 1 36 CYS H 2.300 . 2.800 2.758 2.588 2.854 0.054 5 0 "[ . ]" 1
338 1 35 PHE HA 1 35 PHE QD 3.500 . 5.200 3.249 2.635 3.718 . 0 0 "[ . ]" 1
339 1 35 PHE HA 1 35 PHE QE 3.900 . 6.000 5.311 4.909 5.641 . 0 0 "[ . ]" 1
340 1 35 PHE HA 1 36 CYS H 2.600 . 3.400 3.491 3.479 3.499 0.099 4 0 "[ . ]" 1
341 1 35 PHE HA 1 38 TYR H 2.700 . 3.600 3.600 3.502 3.639 0.039 5 0 "[ . ]" 1
342 1 35 PHE HA 1 38 TYR QD 3.500 . 5.200 2.045 1.864 2.502 . 0 0 "[ . ]" 1
343 1 35 PHE HA 1 38 TYR QE 3.900 . 6.000 3.790 3.002 4.650 . 0 0 "[ . ]" 1
344 1 35 PHE QB 1 35 PHE QE 3.900 . 6.000 3.926 3.908 3.944 . 0 0 "[ . ]" 1
345 1 35 PHE QB 1 36 CYS H 2.300 . 2.800 2.903 2.837 2.985 0.185 5 0 "[ . ]" 1
346 1 35 PHE QB 2 1 PGM CI 3.500 . 5.000 3.740 3.165 4.018 . 0 0 "[ . ]" 1
347 1 35 PHE QD 1 38 TYR QD 4.700 . 7.600 4.691 3.404 5.282 . 0 0 "[ . ]" 1
348 1 35 PHE QD 1 38 TYR QE 5.100 . 8.400 6.027 5.252 6.499 . 0 0 "[ . ]" 1
349 1 35 PHE QD 1 64 VAL QG 4.400 . 7.000 6.209 5.351 7.011 0.011 4 0 "[ . ]" 1
350 1 35 PHE QD 1 65 PRO QB 4.400 . 7.000 4.558 3.594 5.397 . 0 0 "[ . ]" 1
351 1 35 PHE QD 1 65 PRO QD 4.300 . 6.000 4.922 3.485 6.035 0.035 9 0 "[ . ]" 1
352 1 35 PHE QE 1 36 CYS QB 3.900 . 6.000 3.818 2.869 5.133 . 0 0 "[ . ]" 1
353 1 35 PHE QE 1 38 TYR QD 4.700 . 7.600 6.649 5.547 7.170 . 0 0 "[ . ]" 1
354 1 35 PHE QE 1 38 TYR QE 5.100 . 8.400 7.929 7.285 8.405 0.005 4 0 "[ . ]" 1
355 1 35 PHE QE 1 62 LEU HG 3.900 . 6.000 5.933 5.284 6.051 0.051 2 0 "[ . ]" 1
356 1 35 PHE QE 1 65 PRO QB 4.400 . 7.000 4.757 2.779 6.389 . 0 0 "[ . ]" 1
357 1 36 CYS H 1 36 CYS QB 2.300 . 2.800 2.183 2.082 2.274 . 0 0 "[ . ]" 1
358 1 36 CYS H 1 37 GLN H 2.300 . 2.800 2.726 2.386 2.852 0.052 6 0 "[ . ]" 1
359 1 36 CYS HA 1 37 GLN H 3.100 . 4.400 3.535 3.494 3.569 . 0 0 "[ . ]" 1
360 1 36 CYS QB 1 37 GLN H 2.700 . 3.600 2.531 2.217 2.786 . 0 0 "[ . ]" 1
361 1 37 GLN H 1 37 GLN HA 2.200 . 2.700 2.783 2.757 2.814 0.114 1 0 "[ . ]" 1
362 1 37 GLN H 1 37 GLN QB 2.300 . 2.800 2.507 2.418 2.646 . 0 0 "[ . ]" 1
363 1 37 GLN H 1 37 GLN QG 2.700 . 3.600 2.128 1.957 2.321 . 0 0 "[ . ]" 1
364 1 37 GLN H 1 38 TYR H 2.300 . 2.800 2.633 2.519 2.728 . 0 0 "[ . ]" 1
365 1 37 GLN H 1 39 ALA H 3.000 . 4.200 4.172 4.076 4.254 0.054 1 0 "[ . ]" 1
366 1 37 GLN HA 1 37 GLN QB 2.300 . 2.800 2.280 2.172 2.385 . 0 0 "[ . ]" 1
367 1 37 GLN HA 1 37 GLN QG 2.700 . 3.600 2.841 2.350 3.446 . 0 0 "[ . ]" 1
368 1 37 GLN HA 1 38 TYR H 2.600 . 3.400 3.454 3.430 3.482 0.082 2 0 "[ . ]" 1
369 1 37 GLN QB 1 38 TYR H 2.700 . 3.600 3.133 2.678 3.616 0.016 4 0 "[ . ]" 1
370 1 38 TYR H 1 38 TYR QB 2.600 . 3.400 2.201 2.056 2.358 . 0 0 "[ . ]" 1
371 1 38 TYR H 1 38 TYR QD 3.900 . 6.000 3.162 2.366 3.640 . 0 0 "[ . ]" 1
372 1 38 TYR H 1 39 ALA H 2.300 . 2.800 2.616 2.408 2.713 . 0 0 "[ . ]" 1
373 1 38 TYR QB 1 38 TYR QE 3.900 . 6.000 3.947 3.935 3.967 . 0 0 "[ . ]" 1
374 1 38 TYR QB 1 39 ALA H 2.700 . 3.600 3.027 2.873 3.140 . 0 0 "[ . ]" 1
375 1 38 TYR QD 1 48 ILE MD 4.000 . 6.200 3.974 3.314 4.652 . 0 0 "[ . ]" 1
376 1 39 ALA H 1 39 ALA HA 2.200 . 2.700 2.751 2.726 2.763 0.063 5 0 "[ . ]" 1
377 1 39 ALA H 1 39 ALA MB 2.800 . 3.800 2.160 2.051 2.219 . 0 0 "[ . ]" 1
378 1 39 ALA H 1 40 LYS H 2.300 . 2.800 2.762 2.730 2.805 0.005 2 0 "[ . ]" 1
379 1 39 ALA H 1 48 ILE MD 3.900 . 6.000 3.390 2.797 3.871 . 0 0 "[ . ]" 1
380 1 39 ALA H 1 48 ILE MG 3.400 . 5.000 4.531 4.205 4.979 . 0 0 "[ . ]" 1
381 1 39 ALA HA 1 40 LYS H 2.600 . 3.400 3.438 3.425 3.462 0.062 2 0 "[ . ]" 1
382 1 39 ALA MB 1 40 LYS QB 2.800 . 3.800 3.671 3.562 3.805 0.005 9 0 "[ . ]" 1
383 1 39 ALA MB 1 48 ILE MD 3.400 . 5.000 3.143 2.766 4.050 . 0 0 "[ . ]" 1
384 1 39 ALA MB 1 48 ILE MG 3.400 . 5.000 2.958 2.019 4.031 . 0 0 "[ . ]" 1
385 1 40 LYS H 1 40 LYS HA 2.700 . 3.600 2.931 2.908 2.945 . 0 0 "[ . ]" 1
386 1 40 LYS H 1 40 LYS QB 2.300 . 2.800 2.353 2.290 2.433 . 0 0 "[ . ]" 1
387 1 40 LYS H 1 40 LYS QE 3.200 . 4.600 4.120 3.529 4.583 . 0 0 "[ . ]" 1
388 1 40 LYS H 1 41 ASP H 2.300 . 2.800 2.142 1.893 2.346 . 0 0 "[ . ]" 1
389 1 40 LYS H 1 41 ASP HB3 3.100 . 4.400 4.413 4.384 4.431 0.031 1 0 "[ . ]" 1
390 1 40 LYS HA 1 40 LYS QB 2.300 . 2.800 2.488 2.453 2.532 . 0 0 "[ . ]" 1
391 1 40 LYS HA 1 40 LYS QE 3.200 . 4.600 3.265 1.954 4.430 . 0 0 "[ . ]" 1
392 1 40 LYS HA 1 40 LYS QG 2.300 . 2.800 2.277 2.180 2.683 . 0 0 "[ . ]" 1
393 1 40 LYS HA 1 41 ASP H 2.600 . 3.400 3.372 3.094 3.460 0.060 2 0 "[ . ]" 1
394 1 40 LYS QB 1 40 LYS QE 3.600 . 5.400 2.375 2.069 3.267 . 0 0 "[ . ]" 1
395 1 40 LYS QB 1 41 ASP H 2.700 . 3.600 3.109 2.946 3.619 0.019 3 0 "[ . ]" 1
396 1 40 LYS QE 1 40 LYS QG 3.200 . 4.600 2.225 1.992 2.530 . 0 0 "[ . ]" 1
397 1 41 ASP H 1 41 ASP HA 2.700 . 3.600 2.818 2.782 2.877 . 0 0 "[ . ]" 1
398 1 41 ASP H 1 41 ASP HB2 2.300 . 2.800 2.535 2.285 2.736 . 0 0 "[ . ]" 1
399 1 41 ASP H 1 41 ASP HB3 2.300 . 2.800 2.536 2.379 2.796 . 0 0 "[ . ]" 1
400 1 41 ASP HA 1 41 ASP HB2 2.700 . 3.600 2.466 2.412 2.589 . 0 0 "[ . ]" 1
401 1 41 ASP HA 1 41 ASP HB3 2.700 . 3.600 3.023 3.007 3.027 . 0 0 "[ . ]" 1
402 1 41 ASP HA 1 42 PRO QD 2.300 . 2.800 1.971 1.851 2.001 . 0 0 "[ . ]" 1
403 1 41 ASP HA 1 42 PRO QG 3.200 . 4.600 3.879 3.756 3.909 . 0 0 "[ . ]" 1
404 1 41 ASP HB2 1 44 TYR QE 3.900 . 6.000 5.613 4.216 6.000 0.000 2 0 "[ . ]" 1
405 1 41 ASP HB3 1 44 TYR QD 3.500 . 5.200 3.905 3.143 4.788 . 0 0 "[ . ]" 1
406 1 41 ASP HB3 1 44 TYR QE 3.900 . 6.000 4.852 2.838 5.954 . 0 0 "[ . ]" 1
407 1 42 PRO HA 1 42 PRO QD 2.700 . 3.600 3.466 3.337 3.529 . 0 0 "[ . ]" 1
408 1 42 PRO HA 1 42 PRO QG 2.800 . 3.800 3.485 3.293 3.525 . 0 0 "[ . ]" 1
409 1 42 PRO HA 1 43 THR H 2.700 . 3.600 3.145 2.218 3.577 . 0 0 "[ . ]" 1
410 1 42 PRO HA 1 45 GLY H 3.200 . 4.600 3.852 3.362 4.604 0.004 8 0 "[ . ]" 1
411 1 42 PRO QB 1 42 PRO QD 3.200 . 4.600 2.821 2.781 2.897 . 0 0 "[ . ]" 1
412 1 42 PRO QG 1 43 THR H 3.200 . 4.600 3.180 1.911 4.642 0.042 6 0 "[ . ]" 1
413 1 43 THR H 1 43 THR HA 2.300 . 2.800 2.788 2.754 2.857 0.057 8 0 "[ . ]" 1
414 1 43 THR H 1 43 THR HB 2.700 . 3.600 3.505 3.307 3.629 0.029 6 0 "[ . ]" 1
415 1 43 THR H 1 43 THR HG1 3.200 . 4.600 2.255 1.950 3.079 . 0 0 "[ . ]" 1
416 1 43 THR H 1 44 TYR H 2.700 . 3.600 2.609 1.995 2.866 . 0 0 "[ . ]" 1
417 1 43 THR HA 1 43 THR HB 2.300 . 2.800 2.713 2.510 2.846 0.046 3 0 "[ . ]" 1
418 1 43 THR HA 1 43 THR HG1 2.800 . 3.800 3.431 3.164 3.797 . 0 0 "[ . ]" 1
419 1 43 THR HA 1 44 TYR H 2.700 . 3.600 3.524 3.475 3.556 . 0 0 "[ . ]" 1
420 1 43 THR HB 1 43 THR HG1 2.800 . 3.800 2.693 2.143 2.830 . 0 0 "[ . ]" 1
421 1 43 THR HB 1 44 TYR H 2.700 . 3.600 3.241 2.774 3.601 0.001 9 0 "[ . ]" 1
422 1 43 THR HB 1 44 TYR QD 3.900 . 6.000 3.553 2.538 4.285 . 0 0 "[ . ]" 1
423 1 43 THR HB 1 44 TYR QE 3.900 . 6.000 4.010 3.443 4.734 . 0 0 "[ . ]" 1
424 1 43 THR HG1 1 44 TYR H 3.600 . 5.400 3.258 2.337 4.084 . 0 0 "[ . ]" 1
425 1 43 THR HG1 1 44 TYR QD 4.400 . 7.000 3.788 2.397 5.746 . 0 0 "[ . ]" 1
426 1 43 THR HG1 1 44 TYR QE 4.400 . 7.000 4.507 3.460 5.977 . 0 0 "[ . ]" 1
427 1 44 TYR H 1 44 TYR QB 2.700 . 3.600 2.414 2.288 2.624 . 0 0 "[ . ]" 1
428 1 44 TYR H 1 44 TYR QD 3.900 . 6.000 2.628 1.992 3.253 . 0 0 "[ . ]" 1
429 1 44 TYR H 1 45 GLY H 2.300 . 2.800 2.614 2.378 2.814 0.014 3 0 "[ . ]" 1
430 1 44 TYR HA 1 44 TYR QD 3.900 . 6.000 2.727 2.046 3.125 . 0 0 "[ . ]" 1
431 1 44 TYR HA 1 47 TYR QD 3.900 . 6.000 5.455 4.803 6.009 0.009 3 0 "[ . ]" 1
432 1 44 TYR QB 1 45 GLY H 2.700 . 3.600 2.632 1.991 3.626 0.026 5 0 "[ . ]" 1
433 1 44 TYR QB 1 47 TYR QD 3.900 . 6.000 3.867 2.786 4.694 . 0 0 "[ . ]" 1
434 1 44 TYR QD 1 47 TYR QD 4.700 . 7.600 3.802 2.421 4.577 . 0 0 "[ . ]" 1
435 1 44 TYR QD 2 1 PGM CN 3.500 3.000 4.000 3.742 3.005 4.000 0.000 8 0 "[ . ]" 1
436 1 44 TYR QE 2 1 PGM CN 3.500 3.000 4.000 3.382 3.003 3.816 . 0 0 "[ . ]" 1
437 1 45 GLY H 1 45 GLY QA 2.300 . 2.800 2.227 2.193 2.354 . 0 0 "[ . ]" 1
438 1 45 GLY H 1 46 GLN H 2.700 . 3.600 3.095 2.576 3.605 0.005 9 0 "[ . ]" 1
439 1 45 GLY QA 1 46 GLN H 2.700 . 3.600 2.641 2.317 2.843 . 0 0 "[ . ]" 1
440 1 46 GLN H 1 46 GLN HA 2.300 . 2.800 2.776 2.274 2.852 0.052 2 0 "[ . ]" 1
441 1 46 GLN H 1 46 GLN QB 2.300 . 2.800 2.440 2.087 2.875 0.075 4 0 "[ . ]" 1
442 1 46 GLN H 1 46 GLN QG 3.200 . 4.600 3.151 2.010 4.142 . 0 0 "[ . ]" 1
443 1 46 GLN H 1 47 TYR H 2.300 . 2.800 2.463 1.919 2.646 . 0 0 "[ . ]" 1
444 1 46 GLN H 1 47 TYR QD 3.900 . 6.000 5.980 5.567 6.067 0.067 4 0 "[ . ]" 1
445 1 46 GLN HA 1 46 GLN QB 2.300 . 2.800 2.411 2.180 2.535 . 0 0 "[ . ]" 1
446 1 46 GLN HA 1 46 GLN QG 3.200 . 4.600 2.429 2.099 3.336 . 0 0 "[ . ]" 1
447 1 46 GLN HA 1 47 TYR H 2.700 . 3.600 3.402 2.999 3.532 . 0 0 "[ . ]" 1
448 1 46 GLN QB 1 47 TYR H 2.700 . 3.600 3.096 2.697 3.664 0.064 4 0 "[ . ]" 1
449 1 46 GLN HE22 1 46 GLN QG 3.200 . 4.600 3.270 3.221 3.435 . 0 0 "[ . ]" 1
450 1 46 GLN QG 1 47 TYR H 3.200 . 4.600 4.092 2.352 4.557 . 0 0 "[ . ]" 1
451 1 46 GLN QG 1 47 TYR QD 4.400 . 7.000 6.183 3.837 6.822 . 0 0 "[ . ]" 1
452 1 47 TYR H 1 47 TYR HA 2.700 . 3.600 2.844 2.789 2.870 . 0 0 "[ . ]" 1
453 1 47 TYR H 1 47 TYR HB2 2.300 . 2.800 2.301 2.220 2.359 . 0 0 "[ . ]" 1
454 1 47 TYR H 1 47 TYR HB3 2.700 . 3.600 2.793 2.772 2.836 . 0 0 "[ . ]" 1
455 1 47 TYR H 1 47 TYR QD 3.500 . 5.200 4.091 3.987 4.162 . 0 0 "[ . ]" 1
456 1 47 TYR H 1 48 ILE H 2.300 . 2.800 2.627 2.538 2.824 0.024 6 0 "[ . ]" 1
457 1 47 TYR HA 1 47 TYR HB2 2.700 . 3.600 2.613 2.607 2.618 . 0 0 "[ . ]" 1
458 1 47 TYR HA 1 47 TYR HB3 2.300 . 2.800 2.960 2.958 2.964 0.164 6 0 "[ . ]" 1
459 1 47 TYR HA 1 47 TYR QD 3.500 . 5.200 2.934 2.731 3.067 . 0 0 "[ . ]" 1
460 1 47 TYR HA 1 48 ILE H 2.700 . 3.600 3.548 3.535 3.557 . 0 0 "[ . ]" 1
461 1 47 TYR HA 1 53 ALA MB 3.500 . 5.000 4.216 3.664 4.781 . 0 0 "[ . ]" 1
462 1 47 TYR HB2 1 48 ILE H 2.700 . 3.600 3.477 3.410 3.548 . 0 0 "[ . ]" 1
463 1 47 TYR HB3 1 48 ILE H 2.700 . 3.600 2.327 2.226 2.463 . 0 0 "[ . ]" 1
464 1 47 TYR HB3 1 48 ILE MD 3.200 . 4.600 3.655 3.152 4.463 . 0 0 "[ . ]" 1
465 1 47 TYR QD 2 1 PGM CN 3.500 3.000 4.000 3.626 3.037 4.001 0.001 1 0 "[ . ]" 1
466 1 47 TYR QE 2 1 PGM CN 3.500 3.000 4.000 3.571 3.027 4.001 0.001 6 0 "[ . ]" 1
467 1 48 ILE H 1 48 ILE HA 2.300 . 2.800 2.831 2.816 2.849 0.049 6 0 "[ . ]" 1
468 1 48 ILE H 1 48 ILE HB 2.700 . 3.600 2.584 2.556 2.622 . 0 0 "[ . ]" 1
469 1 48 ILE H 1 48 ILE MD 3.200 . 4.600 3.350 3.028 3.727 . 0 0 "[ . ]" 1
470 1 48 ILE H 1 48 ILE MG 2.800 . 3.800 3.768 3.764 3.777 . 0 0 "[ . ]" 1
471 1 48 ILE H 1 49 ARG H 2.700 . 3.600 2.670 2.560 2.848 . 0 0 "[ . ]" 1
472 1 48 ILE HA 1 48 ILE HB 2.700 . 3.600 3.018 3.015 3.019 . 0 0 "[ . ]" 1
473 1 48 ILE HA 1 48 ILE MD 2.800 . 3.800 2.691 2.022 3.818 0.018 1 0 "[ . ]" 1
474 1 48 ILE HA 1 48 ILE MG 2.800 . 3.800 2.334 2.226 2.392 . 0 0 "[ . ]" 1
475 1 48 ILE HA 1 49 ARG H 2.700 . 3.600 3.552 3.504 3.576 . 0 0 "[ . ]" 1
476 1 48 ILE HA 1 50 SER H 2.700 . 3.600 3.545 3.399 3.637 0.037 2 0 "[ . ]" 1
477 1 48 ILE HA 1 53 ALA MB 3.200 . 4.600 3.497 3.198 4.235 . 0 0 "[ . ]" 1
478 1 48 ILE HB 1 48 ILE MD 2.800 . 3.800 2.978 2.428 3.231 . 0 0 "[ . ]" 1
479 1 48 ILE MD 1 48 ILE MG 3.300 . 4.800 1.859 1.797 2.126 0.003 3 0 "[ . ]" 1
480 1 48 ILE MD 1 65 PRO QD 3.400 . 5.000 5.012 5.004 5.023 0.023 4 0 "[ . ]" 1
481 1 48 ILE MG 1 65 PRO QD 3.400 . 5.000 4.389 3.720 4.906 . 0 0 "[ . ]" 1
482 1 49 ARG H 1 49 ARG HA 2.700 . 3.600 2.875 2.873 2.878 . 0 0 "[ . ]" 1
483 1 49 ARG H 1 49 ARG QB 3.200 . 4.600 2.510 2.372 2.628 . 0 0 "[ . ]" 1
484 1 49 ARG H 1 49 ARG QD 3.100 . 4.400 3.910 3.291 4.404 0.004 5 0 "[ . ]" 1
485 1 49 ARG H 1 49 ARG QG 2.300 . 2.800 2.278 2.016 2.644 . 0 0 "[ . ]" 1
486 1 49 ARG H 1 50 SER H 2.700 . 3.600 2.995 2.899 3.051 . 0 0 "[ . ]" 1
487 1 49 ARG HA 1 49 ARG QD 3.100 . 4.400 3.693 2.361 4.164 . 0 0 "[ . ]" 1
488 1 49 ARG HA 1 49 ARG QG 2.300 . 2.800 2.541 2.373 2.781 . 0 0 "[ . ]" 1
489 1 49 ARG HA 1 50 SER H 2.300 . 2.800 2.919 2.890 2.964 0.164 5 0 "[ . ]" 1
490 1 49 ARG QB 1 49 ARG QD 3.200 . 4.600 2.134 1.995 2.319 . 0 0 "[ . ]" 1
491 1 49 ARG QD 1 49 ARG HE 2.300 . 2.800 2.356 2.194 2.490 . 0 0 "[ . ]" 1
492 1 49 ARG HE 1 49 ARG QG 2.700 . 3.600 2.585 2.088 3.142 . 0 0 "[ . ]" 1
493 1 50 SER H 1 50 SER HB2 2.300 . 2.800 2.305 2.268 2.329 . 0 0 "[ . ]" 1
494 1 50 SER H 1 50 SER HB3 2.300 . 2.800 2.853 2.845 2.873 0.073 6 0 "[ . ]" 1
495 1 50 SER HA 1 50 SER HB2 2.700 . 3.600 2.656 2.647 2.675 . 0 0 "[ . ]" 1
496 1 50 SER HA 1 50 SER HB3 2.300 . 2.800 2.946 2.939 2.949 0.149 7 0 "[ . ]" 1
497 1 50 SER HA 1 51 PRO QD 2.700 . 3.600 2.045 1.944 2.125 . 0 0 "[ . ]" 1
498 1 51 PRO HA 1 51 PRO QD 3.100 . 4.400 3.460 3.358 3.516 . 0 0 "[ . ]" 1
499 1 51 PRO HA 1 51 PRO QG 2.700 . 3.600 3.489 3.430 3.513 . 0 0 "[ . ]" 1
500 1 51 PRO HA 1 52 HIS H 2.700 . 3.600 3.546 3.529 3.561 . 0 0 "[ . ]" 1
501 1 51 PRO QB 1 51 PRO QD 3.200 . 4.600 2.883 2.762 3.011 . 0 0 "[ . ]" 1
502 1 51 PRO QB 1 52 HIS H 3.200 . 4.600 2.918 2.711 3.035 . 0 0 "[ . ]" 1
503 1 51 PRO QD 1 52 HIS H 2.700 . 3.600 2.265 1.920 2.697 . 0 0 "[ . ]" 1
504 1 51 PRO QD 1 52 HIS HD2 2.700 . 3.600 3.542 3.188 3.649 0.049 7 0 "[ . ]" 1
505 1 51 PRO QG 1 52 HIS H 2.700 . 3.600 2.339 1.989 2.773 . 0 0 "[ . ]" 1
506 1 51 PRO QG 1 52 HIS HD2 2.700 . 3.600 2.827 2.566 3.105 . 0 0 "[ . ]" 1
507 1 51 PRO QG 1 52 HIS HE1 2.700 . 3.600 3.628 3.601 3.661 0.061 8 0 "[ . ]" 1
508 1 52 HIS H 1 52 HIS HA 2.700 . 3.600 2.875 2.872 2.880 . 0 0 "[ . ]" 1
509 1 52 HIS H 1 52 HIS QB 2.600 . 3.400 2.743 2.656 2.835 . 0 0 "[ . ]" 1
510 1 52 HIS H 1 52 HIS HD2 2.700 . 3.600 2.828 2.547 3.162 . 0 0 "[ . ]" 1
511 1 52 HIS HA 1 53 ALA H 2.600 . 3.400 3.437 3.414 3.473 0.073 2 0 "[ . ]" 1
512 1 52 HIS HA 1 55 ASP H 2.700 . 3.600 3.341 3.222 3.473 . 0 0 "[ . ]" 1
513 1 52 HIS HA 1 55 ASP HB2 2.700 . 3.600 2.934 2.764 3.302 . 0 0 "[ . ]" 1
514 1 52 HIS HA 1 55 ASP HB3 2.700 . 3.600 3.200 2.914 3.387 . 0 0 "[ . ]" 1
515 1 52 HIS QB 1 52 HIS HD2 2.700 . 3.600 2.880 2.636 3.186 . 0 0 "[ . ]" 1
516 1 53 ALA H 1 53 ALA HA 2.200 . 2.700 2.763 2.751 2.778 0.078 1 0 "[ . ]" 1
517 1 53 ALA H 1 53 ALA MB 2.800 . 3.800 2.209 2.170 2.239 . 0 0 "[ . ]" 1
518 1 53 ALA H 1 54 ARG H 2.300 . 2.800 2.821 2.801 2.837 0.037 1 0 "[ . ]" 1
519 1 53 ALA HA 1 54 ARG H 2.600 . 3.400 3.515 3.503 3.520 0.120 9 0 "[ . ]" 1
520 1 53 ALA HA 1 56 THR H 2.700 . 3.600 3.491 3.368 3.616 0.016 1 0 "[ . ]" 1
521 1 53 ALA HA 1 56 THR HG1 2.800 . 3.800 2.956 2.000 3.707 . 0 0 "[ . ]" 1
522 1 53 ALA MB 1 54 ARG H 2.800 . 3.800 2.352 2.219 2.524 . 0 0 "[ . ]" 1
523 1 54 ARG H 1 54 ARG HA 2.200 . 2.700 2.768 2.754 2.794 0.094 4 0 "[ . ]" 1
524 1 54 ARG H 1 54 ARG QB 2.800 . 3.800 2.257 2.045 2.661 . 0 0 "[ . ]" 1
525 1 54 ARG H 1 54 ARG QD 3.200 . 4.600 3.957 2.724 4.622 0.022 4 0 "[ . ]" 1
526 1 54 ARG H 1 54 ARG HE 3.100 . 4.400 4.149 2.924 4.417 0.017 9 0 "[ . ]" 1
527 1 54 ARG H 1 54 ARG QG 2.700 . 3.600 2.904 1.888 3.662 0.062 4 0 "[ . ]" 1
528 1 54 ARG H 1 55 ASP H 2.700 . 3.600 2.697 2.563 2.799 . 0 0 "[ . ]" 1
529 1 54 ARG HA 1 54 ARG QD 3.200 . 4.600 3.913 3.340 4.228 . 0 0 "[ . ]" 1
530 1 54 ARG HA 1 54 ARG QG 2.300 . 2.800 2.383 2.128 2.839 0.039 4 0 "[ . ]" 1
531 1 54 ARG HA 1 55 ASP H 2.600 . 3.400 3.478 3.461 3.511 0.111 3 0 "[ . ]" 1
532 1 54 ARG HA 1 57 LEU H 2.700 . 3.600 3.618 3.611 3.629 0.029 2 0 "[ . ]" 1
533 1 54 ARG HA 1 57 LEU QD 2.800 . 3.800 3.137 2.682 3.398 . 0 0 "[ . ]" 1
534 1 54 ARG HA 1 64 VAL QG 3.200 . 4.600 4.611 4.593 4.619 0.019 8 0 "[ . ]" 1
535 1 54 ARG QB 1 54 ARG QD 3.300 . 4.800 2.293 2.091 2.472 . 0 0 "[ . ]" 1
536 1 54 ARG QB 1 54 ARG HE 2.800 . 3.800 2.534 1.886 3.861 0.061 1 0 "[ . ]" 1
537 1 54 ARG QB 1 55 ASP H 2.800 . 3.800 2.768 2.545 3.052 . 0 0 "[ . ]" 1
538 1 54 ARG HE 1 54 ARG QG 2.700 . 3.600 2.577 2.133 3.287 . 0 0 "[ . ]" 1
539 1 55 ASP H 1 55 ASP HA 2.300 . 2.800 2.821 2.812 2.831 0.031 6 0 "[ . ]" 1
540 1 55 ASP H 1 55 ASP HB2 2.300 . 2.800 2.296 2.286 2.312 . 0 0 "[ . ]" 1
541 1 55 ASP H 1 55 ASP HB3 2.600 . 3.400 2.814 2.805 2.824 . 0 0 "[ . ]" 1
542 1 55 ASP H 1 56 THR H 2.300 . 2.800 2.574 2.521 2.657 . 0 0 "[ . ]" 1
543 1 55 ASP HA 1 55 ASP HB2 2.700 . 3.600 2.606 2.604 2.607 . 0 0 "[ . ]" 1
544 1 55 ASP HA 1 55 ASP HB3 2.300 . 2.800 2.962 2.960 2.963 0.163 3 0 "[ . ]" 1
545 1 55 ASP HA 1 56 THR H 2.600 . 3.400 3.492 3.484 3.509 0.109 9 0 "[ . ]" 1
546 1 55 ASP HA 1 58 THR H 2.700 . 3.600 3.618 3.609 3.628 0.028 9 0 "[ . ]" 1
547 1 55 ASP HA 1 58 THR HB 2.600 . 3.400 2.851 2.533 3.401 0.001 3 0 "[ . ]" 1
548 1 55 ASP HA 1 58 THR HG1 3.200 . 4.600 3.903 3.070 4.603 0.003 3 0 "[ . ]" 1
549 1 55 ASP HB2 1 56 THR H 2.700 . 3.600 3.592 3.510 3.616 0.016 8 0 "[ . ]" 1
550 1 56 THR H 1 56 THR HA 2.200 . 2.700 2.773 2.766 2.778 0.078 2 0 "[ . ]" 1
551 1 56 THR H 1 56 THR HB 2.300 . 2.800 2.794 2.515 2.830 0.030 7 0 "[ . ]" 1
552 1 56 THR H 1 56 THR HG1 3.200 . 4.600 2.641 2.003 3.040 . 0 0 "[ . ]" 1
553 1 56 THR H 1 57 LEU H 2.300 . 2.800 2.767 2.700 2.803 0.003 8 0 "[ . ]" 1
554 1 56 THR HA 1 56 THR HB 2.300 . 2.800 2.962 2.958 2.985 0.185 3 0 "[ . ]" 1
555 1 56 THR HA 1 56 THR HG1 2.800 . 3.800 3.267 2.600 3.734 . 0 0 "[ . ]" 1
556 1 56 THR HA 1 59 SER H 2.700 . 3.600 3.594 3.486 3.620 0.020 1 0 "[ . ]" 1
557 1 56 THR HA 1 59 SER HB2 2.700 . 3.600 2.915 2.763 3.033 . 0 0 "[ . ]" 1
558 1 56 THR HB 1 56 THR HG1 2.800 . 3.800 2.410 2.089 2.826 . 0 0 "[ . ]" 1
559 1 56 THR HB 1 57 LEU H 2.300 . 2.800 2.431 2.350 2.691 . 0 0 "[ . ]" 1
560 1 56 THR HG1 1 57 LEU H 3.200 . 4.600 4.191 3.651 4.488 . 0 0 "[ . ]" 1
561 1 57 LEU H 1 57 LEU HA 2.200 . 2.700 2.777 2.760 2.788 0.088 1 0 "[ . ]" 1
562 1 57 LEU H 1 57 LEU HB2 2.700 . 3.600 2.072 2.052 2.081 . 0 0 "[ . ]" 1
563 1 57 LEU H 1 57 LEU HB3 2.600 . 3.400 3.390 3.361 3.408 0.008 1 0 "[ . ]" 1
564 1 57 LEU H 1 57 LEU QD 3.200 . 4.600 2.824 2.637 3.000 . 0 0 "[ . ]" 1
565 1 57 LEU H 1 57 LEU HG 2.700 . 3.600 3.592 3.556 3.616 0.016 3 0 "[ . ]" 1
566 1 57 LEU H 1 58 THR H 2.300 . 2.800 2.732 2.646 2.824 0.024 3 0 "[ . ]" 1
567 1 57 LEU HA 1 57 LEU HB2 2.300 . 2.800 2.892 2.882 2.904 0.104 1 0 "[ . ]" 1
568 1 57 LEU HA 1 57 LEU HB3 2.300 . 2.800 2.747 2.722 2.762 . 0 0 "[ . ]" 1
569 1 57 LEU HA 1 57 LEU QD 2.800 . 3.800 2.915 2.893 2.938 . 0 0 "[ . ]" 1
570 1 57 LEU HA 1 57 LEU HG 2.300 . 2.800 2.099 2.084 2.114 . 0 0 "[ . ]" 1
571 1 57 LEU HA 1 58 THR H 2.600 . 3.400 3.511 3.501 3.518 0.118 3 0 "[ . ]" 1
572 1 57 LEU HA 1 60 CYS H 2.700 . 3.600 3.596 3.572 3.610 0.010 2 0 "[ . ]" 1
573 1 57 LEU HA 1 60 CYS HB2 2.700 . 3.600 3.160 2.743 3.456 . 0 0 "[ . ]" 1
574 1 57 LEU HA 1 60 CYS HB3 2.700 . 3.600 3.622 3.605 3.635 0.035 8 0 "[ . ]" 1
575 1 57 LEU HA 1 62 LEU QD 3.200 . 4.600 3.352 3.029 3.700 . 0 0 "[ . ]" 1
576 1 57 LEU HB2 1 57 LEU HG 2.300 . 2.800 2.846 2.834 2.868 0.068 8 0 "[ . ]" 1
577 1 57 LEU HB2 1 58 THR H 2.300 . 2.800 2.788 2.668 2.818 0.018 2 0 "[ . ]" 1
578 1 57 LEU HB3 1 57 LEU QD 2.800 . 3.800 1.975 1.922 2.055 . 0 0 "[ . ]" 1
579 1 57 LEU HB3 1 57 LEU HG 2.300 . 2.800 2.826 2.803 2.838 0.038 3 0 "[ . ]" 1
580 1 57 LEU HB3 1 58 THR H 2.700 . 3.600 2.889 2.598 3.060 . 0 0 "[ . ]" 1
581 1 57 LEU QD 1 62 LEU QB 3.700 . 5.600 4.400 3.971 4.948 . 0 0 "[ . ]" 1
582 1 57 LEU QD 1 64 VAL HA 3.200 . 4.600 2.421 1.888 3.074 . 0 0 "[ . ]" 1
583 1 57 LEU QD 1 64 VAL QG 3.700 . 5.600 3.050 1.881 3.823 . 0 0 "[ . ]" 1
584 1 57 LEU HG 1 62 LEU QD 2.800 . 3.800 3.159 2.701 3.741 . 0 0 "[ . ]" 1
585 1 58 THR H 1 58 THR HA 2.200 . 2.700 2.791 2.786 2.797 0.097 1 0 "[ . ]" 1
586 1 58 THR H 1 58 THR HB 2.600 . 3.400 2.628 2.493 2.831 . 0 0 "[ . ]" 1
587 1 58 THR H 1 58 THR HG1 2.800 . 3.800 2.401 2.063 2.748 . 0 0 "[ . ]" 1
588 1 58 THR HA 1 58 THR HB 2.700 . 3.600 3.017 2.998 3.024 . 0 0 "[ . ]" 1
589 1 58 THR HA 1 58 THR HG1 3.200 . 4.600 2.865 2.432 3.432 . 0 0 "[ . ]" 1
590 1 58 THR HA 1 61 GLY H 2.300 . 2.800 2.863 2.856 2.872 0.072 3 0 "[ . ]" 1
591 1 58 THR HB 1 58 THR HG1 2.800 . 3.800 2.486 2.086 2.833 . 0 0 "[ . ]" 1
592 1 58 THR HG1 1 59 SER H 3.200 . 4.600 4.289 3.909 4.573 . 0 0 "[ . ]" 1
593 1 58 THR HG1 1 64 VAL QG 3.300 . 4.800 4.451 3.997 4.808 0.008 3 0 "[ . ]" 1
594 1 59 SER H 1 59 SER HA 2.200 . 2.700 2.746 2.743 2.752 0.052 3 0 "[ . ]" 1
595 1 59 SER H 1 59 SER HB2 2.300 . 2.800 2.202 2.180 2.241 . 0 0 "[ . ]" 1
596 1 59 SER H 1 59 SER HB3 2.300 . 2.800 2.854 2.840 2.863 0.063 4 0 "[ . ]" 1
597 1 59 SER H 1 60 CYS H 2.700 . 3.600 2.668 2.618 2.703 . 0 0 "[ . ]" 1
598 1 59 SER HA 1 59 SER HB2 2.700 . 3.600 2.602 2.588 2.611 . 0 0 "[ . ]" 1
599 1 59 SER HA 1 59 SER HB3 2.300 . 2.800 2.962 2.960 2.967 0.167 2 0 "[ . ]" 1
600 1 59 SER HA 1 60 CYS H 2.600 . 3.400 3.457 3.438 3.475 0.075 2 0 "[ . ]" 1
601 1 59 SER HB2 1 60 CYS H 2.700 . 3.600 3.649 3.625 3.679 0.079 3 0 "[ . ]" 1
602 1 59 SER HB3 1 60 CYS H 2.700 . 3.600 2.724 2.605 2.831 . 0 0 "[ . ]" 1
603 1 60 CYS H 1 60 CYS HA 2.700 . 3.600 2.867 2.845 2.875 . 0 0 "[ . ]" 1
604 1 60 CYS H 1 60 CYS HB2 2.300 . 2.800 2.180 2.070 2.235 . 0 0 "[ . ]" 1
605 1 60 CYS H 1 60 CYS HB3 2.300 . 2.800 2.920 2.891 2.974 0.174 3 0 "[ . ]" 1
606 1 60 CYS H 1 61 GLY H 2.300 . 2.800 2.392 2.350 2.449 . 0 0 "[ . ]" 1
607 1 60 CYS HA 1 60 CYS HB2 2.300 . 2.800 2.718 2.701 2.757 . 0 0 "[ . ]" 1
608 1 60 CYS HA 1 60 CYS HB3 2.700 . 3.600 2.950 2.928 2.964 . 0 0 "[ . ]" 1
609 1 60 CYS HA 1 61 GLY H 2.700 . 3.600 3.528 3.502 3.548 . 0 0 "[ . ]" 1
610 1 60 CYS HB2 1 61 GLY H 2.700 . 3.600 3.496 3.351 3.599 . 0 0 "[ . ]" 1
611 1 60 CYS HB2 1 62 LEU QD 3.200 . 4.600 3.001 2.810 3.321 . 0 0 "[ . ]" 1
612 1 60 CYS HB2 1 62 LEU HG 2.700 . 3.600 3.665 3.635 3.682 0.082 8 0 "[ . ]" 1
613 1 60 CYS HB3 1 61 GLY H 2.700 . 3.600 2.809 2.703 2.900 . 0 0 "[ . ]" 1
614 1 60 CYS HB3 1 62 LEU QD 3.200 . 4.600 2.127 1.899 2.573 . 0 0 "[ . ]" 1
615 1 60 CYS HB3 1 62 LEU HG 2.700 . 3.600 2.070 1.991 2.121 . 0 0 "[ . ]" 1
616 1 61 GLY H 1 61 GLY QA 2.300 . 2.800 2.202 2.192 2.214 . 0 0 "[ . ]" 1
617 1 61 GLY H 1 62 LEU H 2.300 . 2.800 2.798 2.720 2.836 0.036 1 0 "[ . ]" 1
618 1 61 GLY QA 1 62 LEU H 2.700 . 3.600 2.589 2.544 2.655 . 0 0 "[ . ]" 1
619 1 62 LEU H 1 62 LEU HA 2.700 . 3.600 2.942 2.929 2.947 . 0 0 "[ . ]" 1
620 1 62 LEU H 1 62 LEU QB 2.800 . 3.800 3.125 2.964 3.255 . 0 0 "[ . ]" 1
621 1 62 LEU H 1 62 LEU QD 3.200 . 4.600 2.835 2.696 3.048 . 0 0 "[ . ]" 1
622 1 62 LEU H 1 62 LEU HG 2.300 . 2.800 1.907 1.822 2.041 . 0 0 "[ . ]" 1
623 1 62 LEU H 1 63 ALA H 2.700 . 3.600 2.604 2.074 3.059 . 0 0 "[ . ]" 1
624 1 62 LEU HA 1 62 LEU QD 3.200 . 4.600 3.334 2.857 3.435 . 0 0 "[ . ]" 1
625 1 62 LEU HA 1 62 LEU HG 2.700 . 3.600 3.531 3.475 3.658 0.058 2 0 "[ . ]" 1
626 1 62 LEU HA 1 63 ALA H 2.700 . 3.600 3.542 3.514 3.575 . 0 0 "[ . ]" 1
627 1 62 LEU QB 1 63 ALA H 3.200 . 4.600 2.471 1.908 3.363 . 0 0 "[ . ]" 1
628 1 62 LEU QD 1 63 ALA H 3.200 . 4.600 1.968 1.804 2.873 . 0 0 "[ . ]" 1
629 1 62 LEU HG 1 63 ALA H 2.300 . 2.800 2.794 2.549 2.860 0.060 8 0 "[ . ]" 1
630 1 63 ALA H 1 63 ALA HA 2.300 . 2.800 2.884 2.882 2.886 0.086 4 0 "[ . ]" 1
631 1 63 ALA H 1 63 ALA MB 2.800 . 3.800 2.698 2.647 2.730 . 0 0 "[ . ]" 1
632 1 63 ALA HA 1 64 VAL H 2.300 . 2.800 2.482 2.165 2.782 . 0 0 "[ . ]" 1
633 1 63 ALA MB 1 64 VAL H 2.800 . 3.800 2.340 2.035 3.074 . 0 0 "[ . ]" 1
634 1 64 VAL H 1 64 VAL HA 2.300 . 2.800 2.905 2.880 2.918 0.118 7 0 "[ . ]" 1
635 1 64 VAL H 1 64 VAL HB 2.300 . 2.800 2.798 2.520 2.852 0.052 9 0 "[ . ]" 1
636 1 64 VAL H 1 64 VAL QG 2.800 . 3.800 2.509 2.021 3.060 . 0 0 "[ . ]" 1
637 1 64 VAL HA 1 64 VAL HB 2.300 . 2.800 2.699 2.501 2.981 0.181 8 0 "[ . ]" 1
638 1 64 VAL HA 1 64 VAL QG 2.800 . 3.800 2.133 1.939 2.277 . 0 0 "[ . ]" 1
639 1 64 VAL HA 1 65 PRO QD 2.300 . 2.800 2.062 2.002 2.243 . 0 0 "[ . ]" 1
640 1 65 PRO HA 1 65 PRO QD 3.100 . 4.400 3.298 3.211 3.457 . 0 0 "[ . ]" 1
641 1 65 PRO HA 1 65 PRO QG 2.700 . 3.600 3.477 3.456 3.492 . 0 0 "[ . ]" 1
642 1 65 PRO HA 1 66 HIS H 2.300 . 2.800 2.824 2.734 2.946 0.146 3 0 "[ . ]" 1
643 1 65 PRO QB 1 66 HIS H 3.200 . 4.600 2.549 1.844 3.942 . 0 0 "[ . ]" 1
644 1 65 PRO QG 1 66 HIS H 2.700 . 3.600 3.664 3.631 3.717 0.117 3 0 "[ . ]" 1
645 1 65 PRO QG 1 66 HIS HE1 2.700 . 3.600 3.476 3.070 3.607 0.007 7 0 "[ . ]" 1
646 1 66 HIS H 1 66 HIS QB 2.700 . 3.600 3.068 2.354 3.437 . 0 0 "[ . ]" 1
647 1 66 HIS H 1 67 CYS H 2.700 . 3.600 2.645 2.409 2.794 . 0 0 "[ . ]" 1
648 1 66 HIS QB 1 66 HIS HD2 2.700 . 3.600 2.813 2.647 3.020 . 0 0 "[ . ]" 1
649 1 66 HIS QB 1 66 HIS HE1 3.100 . 4.400 4.417 4.368 4.475 0.075 9 0 "[ . ]" 1
650 1 67 CYS H 1 67 CYS HA 2.700 . 3.600 2.853 2.780 2.937 . 0 0 "[ . ]" 1
651 1 67 CYS H 1 67 CYS QB 2.700 . 3.600 2.645 2.275 2.889 . 0 0 "[ . ]" 1
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