NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650396 |
6lmr   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6lmr
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 1036
_Distance_constraint_stats_list.Viol_count 1526
_Distance_constraint_stats_list.Viol_total 2738.245
_Distance_constraint_stats_list.Viol_max 0.442
_Distance_constraint_stats_list.Viol_rms 0.0304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0897
_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 24 ASP 0.239 0.124 6 0 "[ . 1 . 2]"
1 25 LYS 0.814 0.124 6 0 "[ . 1 . 2]"
1 26 LYS 0.888 0.093 16 0 "[ . 1 . 2]"
1 27 VAL 2.461 0.166 5 0 "[ . 1 . 2]"
1 28 ILE 3.507 0.342 15 0 "[ . 1 . 2]"
1 29 ALA 3.137 0.155 8 0 "[ . 1 . 2]"
1 30 THR 11.194 0.371 14 0 "[ . 1 . 2]"
1 31 LYS 3.684 0.298 19 0 "[ . 1 . 2]"
1 32 VAL 3.412 0.154 18 0 "[ . 1 . 2]"
1 33 LEU 0.234 0.034 1 0 "[ . 1 . 2]"
1 34 GLY 1.289 0.116 18 0 "[ . 1 . 2]"
1 35 THR 8.020 0.379 10 0 "[ . 1 . 2]"
1 36 VAL 6.423 0.197 2 0 "[ . 1 . 2]"
1 37 LYS 1.967 0.216 12 0 "[ . 1 . 2]"
1 38 TRP 1.037 0.058 5 0 "[ . 1 . 2]"
1 39 PHE 5.344 0.268 12 0 "[ . 1 . 2]"
1 40 ASN 2.299 0.212 15 0 "[ . 1 . 2]"
1 41 VAL 1.685 0.089 10 0 "[ . 1 . 2]"
1 42 ARG 3.440 0.099 15 0 "[ . 1 . 2]"
1 43 ASN 1.756 0.099 15 0 "[ . 1 . 2]"
1 44 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 1.220 0.064 19 0 "[ . 1 . 2]"
1 46 GLY 1.618 0.268 12 0 "[ . 1 . 2]"
1 47 PHE 5.017 0.212 15 0 "[ . 1 . 2]"
1 48 ILE 0.430 0.121 11 0 "[ . 1 . 2]"
1 49 ASN 2.595 0.257 4 0 "[ . 1 . 2]"
1 50 ARG 3.232 0.257 4 0 "[ . 1 . 2]"
1 51 ASN 5.201 0.379 10 0 "[ . 1 . 2]"
1 52 ASP 4.224 0.246 20 0 "[ . 1 . 2]"
1 53 THR 11.110 0.310 10 0 "[ . 1 . 2]"
1 54 LYS 0.673 0.091 15 0 "[ . 1 . 2]"
1 55 GLU 6.210 0.184 7 0 "[ . 1 . 2]"
1 56 ASP 1.051 0.175 11 0 "[ . 1 . 2]"
1 57 VAL 1.200 0.303 7 0 "[ . 1 . 2]"
1 58 PHE 1.521 0.197 16 0 "[ . 1 . 2]"
1 59 VAL 9.648 0.442 16 0 "[ . 1 . 2]"
1 60 HIS 7.193 0.442 16 0 "[ . 1 . 2]"
1 61 GLN 6.366 0.286 8 0 "[ . 1 . 2]"
1 62 THR 0.201 0.166 16 0 "[ . 1 . 2]"
1 63 ALA 5.400 0.286 8 0 "[ . 1 . 2]"
1 64 ILE 1.051 0.166 16 0 "[ . 1 . 2]"
1 65 LYS 1.461 0.079 1 0 "[ . 1 . 2]"
1 66 LYS 1.544 0.079 1 0 "[ . 1 . 2]"
1 67 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ASN 0.066 0.066 15 0 "[ . 1 . 2]"
1 69 PRO 4.183 0.345 17 0 "[ . 1 . 2]"
1 70 ARG 0.402 0.073 5 0 "[ . 1 . 2]"
1 71 LYS 4.017 0.345 17 0 "[ . 1 . 2]"
1 72 TYR 1.163 0.078 16 0 "[ . 1 . 2]"
1 73 LEU 2.783 0.121 12 0 "[ . 1 . 2]"
1 74 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 SER 0.423 0.141 11 0 "[ . 1 . 2]"
1 76 VAL 2.969 0.132 19 0 "[ . 1 . 2]"
1 77 GLY 0.044 0.044 14 0 "[ . 1 . 2]"
1 78 ASP 4.317 0.329 14 0 "[ . 1 . 2]"
1 79 GLY 1.930 0.157 13 0 "[ . 1 . 2]"
1 80 GLU 0.907 0.125 2 0 "[ . 1 . 2]"
1 81 THR 2.017 0.197 2 0 "[ . 1 . 2]"
1 82 VAL 0.718 0.120 2 0 "[ . 1 . 2]"
1 83 GLU 4.406 0.234 2 0 "[ . 1 . 2]"
1 84 PHE 4.769 0.227 19 0 "[ . 1 . 2]"
1 85 ASP 7.246 0.371 14 0 "[ . 1 . 2]"
1 86 VAL 0.856 0.155 8 0 "[ . 1 . 2]"
1 87 VAL 4.213 0.342 15 0 "[ . 1 . 2]"
1 88 GLU 1.727 0.213 15 0 "[ . 1 . 2]"
1 89 GLY 4.156 0.215 3 0 "[ . 1 . 2]"
1 90 GLU 1.421 0.090 12 0 "[ . 1 . 2]"
1 91 LYS 2.146 0.096 15 0 "[ . 1 . 2]"
1 92 GLY 1.576 0.215 3 0 "[ . 1 . 2]"
1 93 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 GLU 7.572 0.213 15 0 "[ . 1 . 2]"
1 95 ALA 1.496 0.202 15 0 "[ . 1 . 2]"
1 96 ALA 2.533 0.212 15 0 "[ . 1 . 2]"
1 97 ASN 0.687 0.219 1 0 "[ . 1 . 2]"
1 98 VAL 0.147 0.028 8 0 "[ . 1 . 2]"
1 99 THR 7.377 0.234 2 0 "[ . 1 . 2]"
1 100 GLY 1.386 0.157 1 0 "[ . 1 . 2]"
1 101 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLY 1.386 0.157 1 0 "[ . 1 . 2]"
1 104 VAL 0.309 0.049 3 0 "[ . 1 . 2]"
1 105 PRO 0.090 0.040 8 0 "[ . 1 . 2]"
1 106 VAL 0.102 0.043 18 0 "[ . 1 . 2]"
1 107 GLN 1.243 0.071 2 0 "[ . 1 . 2]"
1 108 GLY 1.279 0.071 2 0 "[ . 1 . 2]"
1 109 SER 5.280 0.329 14 0 "[ . 1 . 2]"
1 110 LYS 2.839 0.206 4 0 "[ . 1 . 2]"
1 111 TYR 2.312 0.184 9 0 "[ . 1 . 2]"
1 112 ALA 2.419 0.206 4 0 "[ . 1 . 2]"
1 113 ALA 0.264 0.121 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 24 ASP HA 1 25 LYS H 2.900 . 2.900 2.372 2.149 3.024 0.124 6 0 "[ . 1 . 2]" 1
2 1 24 ASP QB 1 25 LYS H 2.900 . 3.900 3.069 2.116 3.741 . 0 0 "[ . 1 . 2]" 1
3 1 25 LYS H 1 25 LYS HA 2.900 . 2.900 2.921 2.854 2.996 0.096 9 0 "[ . 1 . 2]" 1
4 1 25 LYS H 1 25 LYS QB 2.900 . 3.500 2.606 2.206 3.197 . 0 0 "[ . 1 . 2]" 1
5 1 25 LYS H 1 25 LYS QD 3.500 . 4.500 3.947 3.605 4.297 . 0 0 "[ . 1 . 2]" 1
6 1 25 LYS H 1 25 LYS QE 5.000 . 6.000 4.492 3.373 5.708 . 0 0 "[ . 1 . 2]" 1
7 1 25 LYS H 1 25 LYS QG 3.500 . 4.500 2.355 2.171 4.060 . 0 0 "[ . 1 . 2]" 1
8 1 25 LYS H 1 26 LYS H 5.000 . 5.000 4.581 4.430 4.665 . 0 0 "[ . 1 . 2]" 1
9 1 25 LYS H 1 87 VAL QG 5.000 . 7.400 4.806 3.857 5.446 . 0 0 "[ . 1 . 2]" 1
10 1 25 LYS HA 1 26 LYS H 2.900 . 2.900 2.275 2.173 2.367 . 0 0 "[ . 1 . 2]" 1
11 1 25 LYS HA 1 87 VAL QG 5.000 . 7.400 4.223 3.677 5.448 . 0 0 "[ . 1 . 2]" 1
12 1 25 LYS QB 1 87 VAL QG 2.700 . 6.100 2.460 1.775 3.696 0.025 13 0 "[ . 1 . 2]" 1
13 1 25 LYS QD 1 26 LYS H 5.000 . 6.000 4.647 2.862 5.404 . 0 0 "[ . 1 . 2]" 1
14 1 25 LYS QD 1 87 VAL QG 2.700 . 6.100 2.619 1.841 3.832 . 0 0 "[ . 1 . 2]" 1
15 1 25 LYS QE 1 87 VAL QG 2.700 . 6.100 3.093 1.849 4.074 . 0 0 "[ . 1 . 2]" 1
16 1 25 LYS QG 1 26 LYS H 3.500 . 4.500 3.852 2.612 4.432 . 0 0 "[ . 1 . 2]" 1
17 1 26 LYS H 1 26 LYS HA 2.900 . 2.900 2.930 2.853 2.993 0.093 16 0 "[ . 1 . 2]" 1
18 1 26 LYS H 1 26 LYS QB 2.900 . 3.500 2.349 2.276 2.561 . 0 0 "[ . 1 . 2]" 1
19 1 26 LYS H 1 26 LYS QG 3.500 . 4.500 4.001 3.979 4.057 . 0 0 "[ . 1 . 2]" 1
20 1 26 LYS H 1 87 VAL QG 5.000 . 7.400 3.577 2.617 5.042 . 0 0 "[ . 1 . 2]" 1
21 1 26 LYS H 1 88 GLU QB 3.500 . 4.500 3.542 3.383 3.651 . 0 0 "[ . 1 . 2]" 1
22 1 26 LYS H 1 88 GLU QG 5.000 . 6.000 5.208 4.909 5.373 . 0 0 "[ . 1 . 2]" 1
23 1 26 LYS HA 1 27 VAL H 2.900 . 2.900 2.128 2.114 2.143 . 0 0 "[ . 1 . 2]" 1
24 1 26 LYS HA 1 27 VAL QG 2.700 . 5.100 3.436 3.365 3.527 . 0 0 "[ . 1 . 2]" 1
25 1 26 LYS HA 1 87 VAL QG 5.000 . 7.400 4.384 3.975 5.107 . 0 0 "[ . 1 . 2]" 1
26 1 26 LYS QB 1 27 VAL H 2.900 . 3.900 3.690 3.646 3.737 . 0 0 "[ . 1 . 2]" 1
27 1 26 LYS QB 1 88 GLU H 3.500 . 4.500 3.357 3.057 3.667 . 0 0 "[ . 1 . 2]" 1
28 1 26 LYS QD 1 27 VAL H 5.000 . 6.000 4.633 4.545 4.731 . 0 0 "[ . 1 . 2]" 1
29 1 26 LYS QD 1 28 ILE QG 3.500 . 6.000 3.366 3.288 3.464 . 0 0 "[ . 1 . 2]" 1
30 1 26 LYS QE 1 28 ILE QG 3.500 . 6.000 3.429 3.068 3.959 . 0 0 "[ . 1 . 2]" 1
31 1 26 LYS QG 1 27 VAL H 3.500 . 4.500 2.533 2.440 2.637 . 0 0 "[ . 1 . 2]" 1
32 1 27 VAL H 1 27 VAL HA 2.900 . 2.900 2.971 2.958 2.981 0.081 10 0 "[ . 1 . 2]" 1
33 1 27 VAL H 1 27 VAL HB 2.900 . 2.900 2.598 2.418 3.066 0.166 5 0 "[ . 1 . 2]" 1
34 1 27 VAL H 1 27 VAL QG 2.900 . 4.600 2.244 1.740 2.468 0.060 9 0 "[ . 1 . 2]" 1
35 1 27 VAL H 1 28 ILE H 5.000 . 5.000 4.205 4.172 4.246 . 0 0 "[ . 1 . 2]" 1
36 1 27 VAL HA 1 28 ILE H 2.900 . 2.900 2.175 2.156 2.189 . 0 0 "[ . 1 . 2]" 1
37 1 27 VAL HA 1 29 ALA H 5.000 . 5.000 3.783 3.725 3.840 . 0 0 "[ . 1 . 2]" 1
38 1 27 VAL HA 1 87 VAL HA 3.500 . 3.500 2.219 2.085 2.404 . 0 0 "[ . 1 . 2]" 1
39 1 27 VAL HA 1 87 VAL QG 2.700 . 5.100 2.571 2.055 3.241 . 0 0 "[ . 1 . 2]" 1
40 1 27 VAL HA 1 88 GLU H 3.500 . 3.500 3.456 3.223 3.606 0.106 4 0 "[ . 1 . 2]" 1
41 1 27 VAL QG 1 28 ILE H 2.900 . 5.300 3.141 3.067 3.197 . 0 0 "[ . 1 . 2]" 1
42 1 27 VAL QG 1 29 ALA H 2.900 . 5.300 2.686 2.534 2.758 . 0 0 "[ . 1 . 2]" 1
43 1 27 VAL QG 1 29 ALA HA 5.000 . 7.400 3.476 3.393 3.552 . 0 0 "[ . 1 . 2]" 1
44 1 27 VAL QG 1 30 THR HA 3.500 . 5.900 3.253 3.057 3.509 . 0 0 "[ . 1 . 2]" 1
45 1 27 VAL QG 1 30 THR HB 3.500 . 5.900 3.976 3.422 4.317 . 0 0 "[ . 1 . 2]" 1
46 1 27 VAL QG 1 85 ASP HA 5.000 . 7.400 4.309 4.092 4.582 . 0 0 "[ . 1 . 2]" 1
47 1 27 VAL QG 1 86 VAL H 3.500 . 5.900 3.460 2.803 3.825 . 0 0 "[ . 1 . 2]" 1
48 1 27 VAL QG 1 87 VAL HA 3.500 . 5.900 3.383 3.119 3.680 . 0 0 "[ . 1 . 2]" 1
49 1 28 ILE H 1 28 ILE HB 2.900 . 2.900 2.415 2.404 2.443 . 0 0 "[ . 1 . 2]" 1
50 1 28 ILE H 1 28 ILE MD 3.500 . 5.000 3.384 3.352 3.454 . 0 0 "[ . 1 . 2]" 1
51 1 28 ILE H 1 28 ILE QG 3.500 . 3.500 2.186 2.127 2.210 . 0 0 "[ . 1 . 2]" 1
52 1 28 ILE H 1 28 ILE MG 3.500 . 5.000 3.739 3.736 3.744 . 0 0 "[ . 1 . 2]" 1
53 1 28 ILE H 1 29 ALA H 2.900 . 2.900 2.703 2.688 2.721 . 0 0 "[ . 1 . 2]" 1
54 1 28 ILE H 1 86 VAL H 5.000 . 5.000 4.922 4.556 5.071 0.071 11 0 "[ . 1 . 2]" 1
55 1 28 ILE H 1 86 VAL HB 5.000 . 5.000 4.083 3.803 4.359 . 0 0 "[ . 1 . 2]" 1
56 1 28 ILE H 1 87 VAL HA 2.900 . 2.900 2.182 1.848 2.505 . 0 0 "[ . 1 . 2]" 1
57 1 28 ILE H 1 87 VAL HB 5.000 . 5.000 4.748 4.178 5.342 0.342 15 0 "[ . 1 . 2]" 1
58 1 28 ILE H 1 88 GLU H 3.500 . 3.500 2.922 2.604 3.255 . 0 0 "[ . 1 . 2]" 1
59 1 28 ILE HA 1 29 ALA H 3.500 . 3.500 3.574 3.570 3.578 0.078 8 0 "[ . 1 . 2]" 1
60 1 28 ILE HB 1 29 ALA H 2.900 . 2.900 2.552 2.523 2.583 . 0 0 "[ . 1 . 2]" 1
61 1 28 ILE MD 1 29 ALA H 5.000 . 6.500 4.401 4.364 4.440 . 0 0 "[ . 1 . 2]" 1
62 1 28 ILE MD 1 86 VAL HB 3.500 . 5.000 4.041 3.915 4.110 . 0 0 "[ . 1 . 2]" 1
63 1 28 ILE MD 1 87 VAL H 5.000 . 6.500 4.098 3.801 4.367 . 0 0 "[ . 1 . 2]" 1
64 1 28 ILE MD 1 87 VAL HA 3.500 . 5.000 3.763 3.476 4.028 . 0 0 "[ . 1 . 2]" 1
65 1 28 ILE MD 1 88 GLU H 3.500 . 5.000 3.195 2.845 3.502 . 0 0 "[ . 1 . 2]" 1
66 1 28 ILE MD 1 88 GLU HA 2.700 . 4.200 2.231 1.930 2.555 . 0 0 "[ . 1 . 2]" 1
67 1 28 ILE MD 1 88 GLU QB 2.700 . 5.200 2.243 1.947 3.551 . 0 0 "[ . 1 . 2]" 1
68 1 28 ILE MD 1 88 GLU QG 2.700 . 5.200 2.680 1.838 3.487 . 0 0 "[ . 1 . 2]" 1
69 1 28 ILE MD 1 89 GLY H 3.500 . 5.000 3.858 3.482 4.170 . 0 0 "[ . 1 . 2]" 1
70 1 28 ILE MD 1 93 ALA H 5.000 . 6.500 4.526 3.930 5.045 . 0 0 "[ . 1 . 2]" 1
71 1 28 ILE MD 1 93 ALA HA 3.500 . 5.000 2.967 2.637 3.265 . 0 0 "[ . 1 . 2]" 1
72 1 28 ILE MD 1 93 ALA MB 2.700 . 5.700 2.634 1.885 3.207 . 0 0 "[ . 1 . 2]" 1
73 1 28 ILE MD 1 94 GLU H 3.500 . 5.000 3.731 3.474 3.980 . 0 0 "[ . 1 . 2]" 1
74 1 28 ILE QG 1 29 ALA H 5.000 . 5.000 4.095 4.060 4.109 . 0 0 "[ . 1 . 2]" 1
75 1 28 ILE QG 1 88 GLU H 5.000 . 5.000 2.561 2.227 2.952 . 0 0 "[ . 1 . 2]" 1
76 1 28 ILE MG 1 29 ALA H 3.500 . 5.000 3.262 3.221 3.312 . 0 0 "[ . 1 . 2]" 1
77 1 28 ILE MG 1 29 ALA HA 5.000 . 6.500 3.882 3.798 3.959 . 0 0 "[ . 1 . 2]" 1
78 1 28 ILE MG 1 88 GLU H 5.000 . 6.500 5.183 4.927 5.477 . 0 0 "[ . 1 . 2]" 1
79 1 28 ILE MG 1 88 GLU QB 5.000 . 7.500 4.487 4.233 5.864 . 0 0 "[ . 1 . 2]" 1
80 1 28 ILE MG 1 88 GLU QG 5.000 . 7.500 5.301 4.086 5.674 . 0 0 "[ . 1 . 2]" 1
81 1 29 ALA H 1 29 ALA HA 2.900 . 2.900 2.954 2.927 2.970 0.070 9 0 "[ . 1 . 2]" 1
82 1 29 ALA H 1 29 ALA MB 2.900 . 4.000 2.695 2.618 2.783 . 0 0 "[ . 1 . 2]" 1
83 1 29 ALA H 1 85 ASP HA 5.000 . 5.000 4.942 4.835 5.071 0.071 14 0 "[ . 1 . 2]" 1
84 1 29 ALA H 1 86 VAL H 2.900 . 2.900 2.884 2.725 3.055 0.155 8 0 "[ . 1 . 2]" 1
85 1 29 ALA H 1 86 VAL HB 2.900 . 2.900 2.259 1.965 2.594 . 0 0 "[ . 1 . 2]" 1
86 1 29 ALA H 1 86 VAL QG 3.500 . 5.900 3.174 3.022 3.325 . 0 0 "[ . 1 . 2]" 1
87 1 29 ALA H 1 87 VAL HA 5.000 . 5.000 4.026 3.779 4.290 . 0 0 "[ . 1 . 2]" 1
88 1 29 ALA HA 1 30 THR H 2.900 . 2.900 2.356 2.307 2.418 . 0 0 "[ . 1 . 2]" 1
89 1 29 ALA HA 1 30 THR MG 3.500 . 5.000 3.560 3.166 3.900 . 0 0 "[ . 1 . 2]" 1
90 1 29 ALA HA 1 32 VAL QG 5.000 . 6.500 4.103 3.820 4.297 . 0 0 "[ . 1 . 2]" 1
91 1 29 ALA MB 1 30 THR H 2.900 . 4.400 2.469 2.286 2.636 . 0 0 "[ . 1 . 2]" 1
92 1 29 ALA MB 1 32 VAL QG 2.700 . 5.700 2.044 1.836 2.228 . 0 0 "[ . 1 . 2]" 1
93 1 29 ALA MB 1 86 VAL H 3.500 . 5.000 2.839 2.504 3.220 . 0 0 "[ . 1 . 2]" 1
94 1 29 ALA MB 1 86 VAL HB 2.700 . 4.200 2.053 1.913 2.263 . 0 0 "[ . 1 . 2]" 1
95 1 30 THR H 1 30 THR HA 2.900 . 2.900 2.977 2.969 2.988 0.088 18 0 "[ . 1 . 2]" 1
96 1 30 THR H 1 30 THR HB 3.500 . 3.500 3.229 2.784 3.750 0.250 1 0 "[ . 1 . 2]" 1
97 1 30 THR H 1 30 THR MG 2.900 . 4.400 2.063 1.867 2.352 . 0 0 "[ . 1 . 2]" 1
98 1 30 THR H 1 31 LYS H 5.000 . 5.000 4.163 3.950 4.263 . 0 0 "[ . 1 . 2]" 1
99 1 30 THR H 1 32 VAL MG2 3.500 . 5.000 3.215 2.900 3.354 . 0 0 "[ . 1 . 2]" 1
100 1 30 THR HA 1 30 THR MG 2.700 . 4.200 2.896 2.445 3.220 . 0 0 "[ . 1 . 2]" 1
101 1 30 THR HA 1 31 LYS H 2.900 . 2.900 3.058 2.980 3.198 0.298 19 0 "[ . 1 . 2]" 1
102 1 30 THR HA 1 32 VAL MG2 5.000 . 6.500 4.334 4.103 4.481 . 0 0 "[ . 1 . 2]" 1
103 1 30 THR HA 1 85 ASP H 5.000 . 5.000 5.219 5.104 5.371 0.371 14 0 "[ . 1 . 2]" 1
104 1 30 THR HA 1 85 ASP HA 5.000 . 5.000 2.765 2.534 2.980 . 0 0 "[ . 1 . 2]" 1
105 1 30 THR HA 1 86 VAL H 3.500 . 3.500 3.480 3.347 3.546 0.046 12 0 "[ . 1 . 2]" 1
106 1 30 THR HB 1 31 LYS H 3.500 . 3.500 2.820 2.031 3.436 . 0 0 "[ . 1 . 2]" 1
107 1 30 THR MG 1 31 LYS H 2.900 . 4.400 2.773 1.896 3.690 . 0 0 "[ . 1 . 2]" 1
108 1 30 THR MG 1 85 ASP HA 5.000 . 6.500 4.768 4.619 4.935 . 0 0 "[ . 1 . 2]" 1
109 1 31 LYS H 1 31 LYS HA 2.900 . 2.900 2.803 2.779 2.822 . 0 0 "[ . 1 . 2]" 1
110 1 31 LYS H 1 31 LYS QB 3.500 . 4.100 2.457 2.265 2.659 . 0 0 "[ . 1 . 2]" 1
111 1 31 LYS H 1 31 LYS QD 5.000 . 6.000 3.897 3.179 4.414 . 0 0 "[ . 1 . 2]" 1
112 1 31 LYS H 1 31 LYS QG 3.500 . 4.500 2.168 1.811 3.972 . 0 0 "[ . 1 . 2]" 1
113 1 31 LYS H 1 32 VAL MG2 5.000 . 6.500 4.294 4.125 4.353 . 0 0 "[ . 1 . 2]" 1
114 1 31 LYS H 1 85 ASP HA 5.000 . 5.000 4.270 4.036 4.556 . 0 0 "[ . 1 . 2]" 1
115 1 31 LYS HA 1 31 LYS QG 3.500 . 4.500 2.530 2.261 3.311 . 0 0 "[ . 1 . 2]" 1
116 1 31 LYS HA 1 32 VAL H 2.900 . 2.900 2.133 2.120 2.163 . 0 0 "[ . 1 . 2]" 1
117 1 31 LYS HA 1 32 VAL QG 5.000 . 6.500 3.837 3.713 3.920 . 0 0 "[ . 1 . 2]" 1
118 1 31 LYS HA 1 84 PHE H 3.500 . 3.500 3.370 2.987 3.698 0.198 1 0 "[ . 1 . 2]" 1
119 1 32 VAL H 1 32 VAL HA 2.900 . 2.900 2.990 2.984 2.996 0.096 8 0 "[ . 1 . 2]" 1
120 1 32 VAL H 1 32 VAL HB 3.500 . 3.500 2.649 2.573 2.689 . 0 0 "[ . 1 . 2]" 1
121 1 32 VAL H 1 32 VAL QG 2.900 . 4.900 2.909 2.809 2.978 . 0 0 "[ . 1 . 2]" 1
122 1 32 VAL H 1 33 LEU H 5.000 . 5.000 4.352 4.324 4.400 . 0 0 "[ . 1 . 2]" 1
123 1 32 VAL HA 1 33 LEU H 2.900 . 2.900 2.166 2.161 2.174 . 0 0 "[ . 1 . 2]" 1
124 1 32 VAL HA 1 33 LEU QD 5.000 . 7.400 4.293 4.181 4.474 . 0 0 "[ . 1 . 2]" 1
125 1 32 VAL HB 1 33 LEU H 5.000 . 5.000 4.248 4.213 4.265 . 0 0 "[ . 1 . 2]" 1
126 1 32 VAL HB 1 84 PHE H 3.500 . 3.500 3.580 3.503 3.654 0.154 18 0 "[ . 1 . 2]" 1
127 1 32 VAL QG 1 33 LEU H 3.500 . 6.500 2.594 2.544 2.640 . 0 0 "[ . 1 . 2]" 1
128 1 32 VAL QG 1 51 ASN H 3.500 . 6.500 4.034 3.962 4.086 . 0 0 "[ . 1 . 2]" 1
129 1 32 VAL QG 1 84 PHE H 3.500 . 6.500 4.001 3.955 4.066 . 0 0 "[ . 1 . 2]" 1
130 1 32 VAL QG 1 86 VAL H 3.500 . 6.500 3.788 3.335 4.249 . 0 0 "[ . 1 . 2]" 1
131 1 32 VAL MG1 1 50 ARG HA 3.500 . 5.000 4.068 3.923 4.140 . 0 0 "[ . 1 . 2]" 1
132 1 32 VAL MG1 1 50 ARG QB 3.500 . 6.000 3.331 3.043 3.471 . 0 0 "[ . 1 . 2]" 1
133 1 32 VAL MG1 1 50 ARG QD 5.000 . 7.500 3.260 2.200 4.257 . 0 0 "[ . 1 . 2]" 1
134 1 32 VAL MG1 1 50 ARG QG 3.500 . 6.000 3.099 2.902 3.446 . 0 0 "[ . 1 . 2]" 1
135 1 32 VAL MG1 1 84 PHE QE 3.500 . 7.000 3.934 3.829 4.049 . 0 0 "[ . 1 . 2]" 1
136 1 32 VAL MG1 1 84 PHE HZ 3.500 . 5.000 3.900 3.763 4.026 . 0 0 "[ . 1 . 2]" 1
137 1 32 VAL MG2 1 84 PHE QD 5.000 . 8.500 4.871 4.620 4.999 . 0 0 "[ . 1 . 2]" 1
138 1 32 VAL MG2 1 84 PHE QE 3.500 . 7.000 4.674 4.438 4.794 . 0 0 "[ . 1 . 2]" 1
139 1 32 VAL MG2 1 84 PHE HZ 5.000 . 6.500 5.556 5.494 5.625 . 0 0 "[ . 1 . 2]" 1
140 1 32 VAL MG2 1 85 ASP HA 3.500 . 5.000 3.801 3.486 4.063 . 0 0 "[ . 1 . 2]" 1
141 1 32 VAL MG2 1 86 VAL HB 5.000 . 6.500 4.068 3.524 4.465 . 0 0 "[ . 1 . 2]" 1
142 1 32 VAL MG2 1 86 VAL QG 2.700 . 6.600 2.738 2.230 3.179 . 0 0 "[ . 1 . 2]" 1
143 1 33 LEU H 1 33 LEU HA 2.900 . 2.900 2.899 2.864 2.934 0.034 1 0 "[ . 1 . 2]" 1
144 1 33 LEU H 1 33 LEU QB 2.900 . 3.500 2.412 2.333 2.453 . 0 0 "[ . 1 . 2]" 1
145 1 33 LEU H 1 33 LEU QD 3.500 . 5.200 3.091 3.029 3.172 . 0 0 "[ . 1 . 2]" 1
146 1 33 LEU H 1 33 LEU HG 2.900 . 2.900 2.241 2.119 2.450 . 0 0 "[ . 1 . 2]" 1
147 1 33 LEU H 1 34 GLY H 5.000 . 5.000 4.592 4.570 4.609 . 0 0 "[ . 1 . 2]" 1
148 1 33 LEU HA 1 34 GLY H 2.900 . 2.900 2.154 2.133 2.171 . 0 0 "[ . 1 . 2]" 1
149 1 33 LEU HA 1 81 THR MG 5.000 . 6.500 3.635 3.379 3.807 . 0 0 "[ . 1 . 2]" 1
150 1 33 LEU HA 1 84 PHE H 5.000 . 5.000 4.257 3.981 4.776 . 0 0 "[ . 1 . 2]" 1
151 1 33 LEU HA 1 84 PHE QE 5.000 . 6.500 4.605 4.438 4.935 . 0 0 "[ . 1 . 2]" 1
152 1 33 LEU QB 1 34 GLY H 3.500 . 4.500 3.057 2.973 3.166 . 0 0 "[ . 1 . 2]" 1
153 1 33 LEU QD 1 34 GLY H 5.000 . 7.400 3.308 3.054 3.397 . 0 0 "[ . 1 . 2]" 1
154 1 33 LEU QD 1 51 ASN QD 5.000 . 7.400 4.161 3.019 4.802 . 0 0 "[ . 1 . 2]" 1
155 1 33 LEU QD 1 83 GLU HA 5.000 . 7.400 3.000 2.599 3.696 . 0 0 "[ . 1 . 2]" 1
156 1 33 LEU QD 1 101 PRO HA 5.000 . 7.400 3.209 2.982 3.448 . 0 0 "[ . 1 . 2]" 1
157 1 33 LEU QD 1 101 PRO QB 3.500 . 6.900 2.800 2.465 3.116 . 0 0 "[ . 1 . 2]" 1
158 1 33 LEU QD 1 101 PRO QG 5.000 . 8.400 3.642 2.400 4.536 . 0 0 "[ . 1 . 2]" 1
159 1 33 LEU HG 1 34 GLY H 5.000 . 5.000 4.943 4.769 5.023 0.023 14 0 "[ . 1 . 2]" 1
160 1 34 GLY H 1 35 THR H 5.000 . 5.000 4.397 4.371 4.428 . 0 0 "[ . 1 . 2]" 1
161 1 34 GLY H 1 48 ILE MG 5.000 . 6.500 4.474 4.340 4.647 . 0 0 "[ . 1 . 2]" 1
162 1 34 GLY H 1 51 ASN H 5.000 . 5.000 4.857 4.685 4.997 . 0 0 "[ . 1 . 2]" 1
163 1 34 GLY H 1 81 THR HA 5.000 . 5.000 4.263 4.197 4.387 . 0 0 "[ . 1 . 2]" 1
164 1 34 GLY H 1 81 THR MG 3.500 . 5.000 2.949 2.790 3.105 . 0 0 "[ . 1 . 2]" 1
165 1 34 GLY H 1 82 VAL H 2.900 . 2.900 2.740 2.650 2.868 . 0 0 "[ . 1 . 2]" 1
166 1 34 GLY H 1 82 VAL QG 3.500 . 5.500 3.183 2.956 3.497 . 0 0 "[ . 1 . 2]" 1
167 1 34 GLY H 1 83 GLU HA 3.500 . 3.500 3.560 3.502 3.616 0.116 18 0 "[ . 1 . 2]" 1
168 1 34 GLY H 1 84 PHE QD 5.000 . 7.000 4.396 4.190 4.784 . 0 0 "[ . 1 . 2]" 1
169 1 34 GLY H 1 84 PHE QE 2.900 . 4.900 3.358 3.246 3.590 . 0 0 "[ . 1 . 2]" 1
170 1 34 GLY QA 1 35 THR H 2.900 . 3.900 2.294 2.283 2.296 . 0 0 "[ . 1 . 2]" 1
171 1 34 GLY QA 1 48 ILE MG 2.700 . 5.200 2.844 2.679 2.998 . 0 0 "[ . 1 . 2]" 1
172 1 34 GLY QA 1 51 ASN H 3.500 . 4.500 2.073 1.946 2.190 . 0 0 "[ . 1 . 2]" 1
173 1 35 THR H 1 35 THR HA 2.900 . 2.900 2.988 2.985 2.991 0.091 6 0 "[ . 1 . 2]" 1
174 1 35 THR H 1 35 THR HB 2.900 . 2.900 2.685 2.669 2.711 . 0 0 "[ . 1 . 2]" 1
175 1 35 THR H 1 35 THR MG 3.500 . 5.000 3.875 3.866 3.887 . 0 0 "[ . 1 . 2]" 1
176 1 35 THR H 1 48 ILE MG 2.900 . 4.400 2.896 2.677 3.083 . 0 0 "[ . 1 . 2]" 1
177 1 35 THR H 1 49 ASN H 3.500 . 3.500 3.609 3.495 3.691 0.191 19 0 "[ . 1 . 2]" 1
178 1 35 THR H 1 49 ASN QB 5.000 . 6.000 3.792 3.677 3.936 . 0 0 "[ . 1 . 2]" 1
179 1 35 THR H 1 50 ARG HA 3.500 . 3.500 3.281 3.153 3.417 . 0 0 "[ . 1 . 2]" 1
180 1 35 THR H 1 51 ASN H 3.500 . 3.500 3.704 3.568 3.879 0.379 10 0 "[ . 1 . 2]" 1
181 1 35 THR H 1 82 VAL MG1 5.000 . 6.500 5.632 5.554 5.705 . 0 0 "[ . 1 . 2]" 1
182 1 35 THR H 1 84 PHE QE 5.000 . 7.000 4.212 4.065 4.423 . 0 0 "[ . 1 . 2]" 1
183 1 35 THR HA 1 36 VAL H 2.900 . 2.900 2.185 2.172 2.206 . 0 0 "[ . 1 . 2]" 1
184 1 35 THR HA 1 36 VAL MG2 3.500 . 5.000 3.519 3.463 3.609 . 0 0 "[ . 1 . 2]" 1
185 1 35 THR HA 1 48 ILE MG 5.000 . 6.500 3.788 3.558 4.009 . 0 0 "[ . 1 . 2]" 1
186 1 35 THR HA 1 81 THR MG 5.000 . 6.500 3.775 3.688 3.859 . 0 0 "[ . 1 . 2]" 1
187 1 35 THR HA 1 82 VAL H 3.500 . 3.500 3.132 2.968 3.228 . 0 0 "[ . 1 . 2]" 1
188 1 35 THR HA 1 82 VAL MG1 3.500 . 5.000 3.920 3.850 3.986 . 0 0 "[ . 1 . 2]" 1
189 1 35 THR HB 1 36 VAL H 5.000 . 5.000 4.098 4.040 4.139 . 0 0 "[ . 1 . 2]" 1
190 1 35 THR HB 1 49 ASN H 5.000 . 5.000 4.181 4.030 4.464 . 0 0 "[ . 1 . 2]" 1
191 1 35 THR MG 1 36 VAL H 2.900 . 4.400 2.433 2.337 2.497 . 0 0 "[ . 1 . 2]" 1
192 1 35 THR MG 1 36 VAL HB 5.000 . 6.500 3.777 3.668 3.858 . 0 0 "[ . 1 . 2]" 1
193 1 35 THR MG 1 79 GLY H 3.500 . 5.000 3.622 3.484 3.775 . 0 0 "[ . 1 . 2]" 1
194 1 35 THR MG 1 80 GLU H 5.000 . 6.500 3.976 3.869 4.096 . 0 0 "[ . 1 . 2]" 1
195 1 35 THR MG 1 81 THR HA 3.500 . 5.000 3.444 3.269 3.576 . 0 0 "[ . 1 . 2]" 1
196 1 36 VAL H 1 36 VAL HB 2.900 . 2.900 2.435 2.396 2.459 . 0 0 "[ . 1 . 2]" 1
197 1 36 VAL H 1 36 VAL MG1 3.500 . 5.000 3.755 3.745 3.764 . 0 0 "[ . 1 . 2]" 1
198 1 36 VAL H 1 36 VAL MG2 2.900 . 4.400 2.216 2.111 2.302 . 0 0 "[ . 1 . 2]" 1
199 1 36 VAL H 1 48 ILE HA 5.000 . 5.000 4.931 4.763 5.121 0.121 11 0 "[ . 1 . 2]" 1
200 1 36 VAL H 1 48 ILE MG 5.000 . 6.500 3.732 3.502 3.951 . 0 0 "[ . 1 . 2]" 1
201 1 36 VAL H 1 79 GLY H 3.500 . 3.500 3.595 3.482 3.657 0.157 13 0 "[ . 1 . 2]" 1
202 1 36 VAL H 1 80 GLU H 3.500 . 3.500 3.428 3.329 3.625 0.125 2 0 "[ . 1 . 2]" 1
203 1 36 VAL H 1 81 THR H 5.000 . 5.000 4.878 4.739 5.046 0.046 2 0 "[ . 1 . 2]" 1
204 1 36 VAL H 1 81 THR HA 3.500 . 3.500 3.596 3.525 3.697 0.197 2 0 "[ . 1 . 2]" 1
205 1 36 VAL H 1 82 VAL MG1 3.500 . 5.000 3.534 3.413 3.686 . 0 0 "[ . 1 . 2]" 1
206 1 36 VAL HA 1 37 LYS H 2.900 . 2.900 2.171 2.159 2.185 . 0 0 "[ . 1 . 2]" 1
207 1 36 VAL HA 1 38 TRP H 5.000 . 5.000 3.828 3.592 3.912 . 0 0 "[ . 1 . 2]" 1
208 1 36 VAL HA 1 48 ILE MG 3.500 . 5.000 2.594 2.261 2.815 . 0 0 "[ . 1 . 2]" 1
209 1 36 VAL HA 1 49 ASN H 3.500 . 3.500 3.220 3.083 3.395 . 0 0 "[ . 1 . 2]" 1
210 1 36 VAL HB 1 79 GLY H 2.900 . 2.900 2.042 1.877 2.297 . 0 0 "[ . 1 . 2]" 1
211 1 36 VAL MG1 1 37 LYS H 2.900 . 4.400 3.092 2.977 3.183 . 0 0 "[ . 1 . 2]" 1
212 1 36 VAL MG1 1 37 LYS HA 5.000 . 6.500 4.210 4.094 4.263 . 0 0 "[ . 1 . 2]" 1
213 1 36 VAL MG1 1 38 TRP H 2.900 . 4.400 2.551 2.322 2.648 . 0 0 "[ . 1 . 2]" 1
214 1 36 VAL MG1 1 38 TRP HA 3.500 . 5.000 2.743 2.702 2.817 . 0 0 "[ . 1 . 2]" 1
215 1 36 VAL MG1 1 39 PHE H 3.500 . 5.000 3.350 3.199 3.615 . 0 0 "[ . 1 . 2]" 1
216 1 36 VAL MG1 1 39 PHE QB 3.500 . 6.000 2.439 2.273 2.527 . 0 0 "[ . 1 . 2]" 1
217 1 36 VAL MG1 1 47 PHE H 5.000 . 6.500 4.223 3.926 4.458 . 0 0 "[ . 1 . 2]" 1
218 1 36 VAL MG1 1 48 ILE HA 3.500 . 5.000 3.654 3.462 3.834 . 0 0 "[ . 1 . 2]" 1
219 1 36 VAL MG1 1 76 VAL HB 3.500 . 5.000 3.329 3.157 3.494 . 0 0 "[ . 1 . 2]" 1
220 1 36 VAL MG1 1 78 ASP H 3.500 . 5.000 4.061 3.968 4.184 . 0 0 "[ . 1 . 2]" 1
221 1 36 VAL MG1 1 78 ASP HA 2.700 . 4.200 2.069 2.004 2.175 . 0 0 "[ . 1 . 2]" 1
222 1 36 VAL MG1 1 79 GLY H 2.900 . 4.400 2.683 2.378 2.967 . 0 0 "[ . 1 . 2]" 1
223 1 36 VAL MG1 1 80 GLU H 3.500 . 5.000 3.673 3.458 3.876 . 0 0 "[ . 1 . 2]" 1
224 1 36 VAL MG2 1 37 LYS H 3.500 . 5.000 4.169 4.104 4.204 . 0 0 "[ . 1 . 2]" 1
225 1 36 VAL MG2 1 48 ILE HA 5.000 . 6.500 3.896 3.695 3.985 . 0 0 "[ . 1 . 2]" 1
226 1 36 VAL MG2 1 48 ILE MD 3.500 . 6.500 3.265 2.930 3.462 . 0 0 "[ . 1 . 2]" 1
227 1 36 VAL MG2 1 48 ILE QG 3.500 . 5.000 2.487 2.188 2.658 . 0 0 "[ . 1 . 2]" 1
228 1 36 VAL MG2 1 48 ILE MG 2.700 . 5.700 2.921 2.711 3.071 . 0 0 "[ . 1 . 2]" 1
229 1 36 VAL MG2 1 76 VAL HA 5.000 . 6.500 4.389 4.327 4.430 . 0 0 "[ . 1 . 2]" 1
230 1 36 VAL MG2 1 76 VAL HB 2.700 . 4.200 3.446 3.342 3.593 . 0 0 "[ . 1 . 2]" 1
231 1 36 VAL MG2 1 76 VAL MG1 2.700 . 5.700 1.694 1.668 1.738 0.132 19 0 "[ . 1 . 2]" 1
232 1 36 VAL MG2 1 77 GLY H 3.500 . 5.000 3.911 3.804 3.996 . 0 0 "[ . 1 . 2]" 1
233 1 36 VAL MG2 1 79 GLY H 3.500 . 5.000 3.798 3.663 4.015 . 0 0 "[ . 1 . 2]" 1
234 1 36 VAL MG2 1 80 GLU H 2.900 . 4.400 3.148 2.917 3.542 . 0 0 "[ . 1 . 2]" 1
235 1 36 VAL MG2 1 80 GLU QB 5.000 . 7.500 2.658 2.226 3.899 . 0 0 "[ . 1 . 2]" 1
236 1 36 VAL MG2 1 80 GLU QG 2.700 . 5.200 3.608 1.922 3.758 . 0 0 "[ . 1 . 2]" 1
237 1 36 VAL MG2 1 82 VAL MG1 2.700 . 5.700 2.049 1.922 2.253 . 0 0 "[ . 1 . 2]" 1
238 1 37 LYS H 1 37 LYS QB 2.900 . 3.500 2.304 2.250 2.821 . 0 0 "[ . 1 . 2]" 1
239 1 37 LYS H 1 37 LYS QD 5.000 . 6.000 4.351 3.354 4.671 . 0 0 "[ . 1 . 2]" 1
240 1 37 LYS H 1 37 LYS QG 3.500 . 4.500 3.732 1.584 3.965 0.216 12 0 "[ . 1 . 2]" 1
241 1 37 LYS H 1 38 TRP H 2.900 . 2.900 2.622 2.365 2.686 . 0 0 "[ . 1 . 2]" 1
242 1 37 LYS H 1 47 PHE H 5.000 . 5.000 4.966 4.690 5.126 0.126 12 0 "[ . 1 . 2]" 1
243 1 37 LYS H 1 48 ILE HA 2.900 . 2.900 2.274 1.850 2.744 . 0 0 "[ . 1 . 2]" 1
244 1 37 LYS H 1 48 ILE QG 5.000 . 5.000 3.937 3.454 4.328 . 0 0 "[ . 1 . 2]" 1
245 1 37 LYS H 1 48 ILE MG 3.500 . 5.000 3.758 3.478 4.010 . 0 0 "[ . 1 . 2]" 1
246 1 37 LYS H 1 49 ASN H 3.500 . 3.500 2.524 2.236 2.939 . 0 0 "[ . 1 . 2]" 1
247 1 37 LYS HA 1 38 TRP H 3.500 . 3.500 3.550 3.513 3.558 0.058 5 0 "[ . 1 . 2]" 1
248 1 37 LYS QB 1 38 TRP H 2.900 . 3.900 2.366 2.209 3.264 . 0 0 "[ . 1 . 2]" 1
249 1 37 LYS QB 1 38 TRP HE1 3.500 . 4.500 3.942 3.771 4.031 . 0 0 "[ . 1 . 2]" 1
250 1 37 LYS QB 1 49 ASN H 5.000 . 6.000 3.118 2.765 3.786 . 0 0 "[ . 1 . 2]" 1
251 1 37 LYS QD 1 38 TRP H 5.000 . 6.000 4.306 3.656 5.016 . 0 0 "[ . 1 . 2]" 1
252 1 37 LYS QD 1 38 TRP HE1 5.000 . 6.000 2.985 2.060 4.243 . 0 0 "[ . 1 . 2]" 1
253 1 37 LYS QE 1 38 TRP H 5.000 . 6.000 4.958 3.868 5.746 . 0 0 "[ . 1 . 2]" 1
254 1 37 LYS QE 1 38 TRP HE1 2.900 . 3.900 3.016 1.845 3.780 . 0 0 "[ . 1 . 2]" 1
255 1 37 LYS QG 1 38 TRP H 2.900 . 3.900 3.320 1.806 3.586 . 0 0 "[ . 1 . 2]" 1
256 1 37 LYS QG 1 38 TRP HE1 3.500 . 4.500 3.793 3.362 3.921 . 0 0 "[ . 1 . 2]" 1
257 1 38 TRP H 1 38 TRP HA 2.900 . 2.900 2.846 2.815 2.879 . 0 0 "[ . 1 . 2]" 1
258 1 38 TRP H 1 38 TRP QB 3.500 . 4.100 3.344 3.321 3.383 . 0 0 "[ . 1 . 2]" 1
259 1 38 TRP H 1 39 PHE H 5.000 . 5.000 4.190 4.110 4.320 . 0 0 "[ . 1 . 2]" 1
260 1 38 TRP H 1 48 ILE HA 5.000 . 5.000 4.173 3.992 4.454 . 0 0 "[ . 1 . 2]" 1
261 1 38 TRP HA 1 39 PHE H 2.900 . 2.900 2.235 2.200 2.321 . 0 0 "[ . 1 . 2]" 1
262 1 38 TRP QB 1 39 PHE H 2.900 . 3.900 2.904 2.653 3.011 . 0 0 "[ . 1 . 2]" 1
263 1 38 TRP HE1 1 47 PHE QD 5.000 . 7.000 3.226 2.507 4.444 . 0 0 "[ . 1 . 2]" 1
264 1 38 TRP HE3 1 39 PHE H 3.500 . 3.500 3.355 3.032 3.533 0.033 11 0 "[ . 1 . 2]" 1
265 1 38 TRP HE3 1 40 ASN H 3.500 . 3.500 2.976 2.771 3.337 . 0 0 "[ . 1 . 2]" 1
266 1 38 TRP HZ2 1 47 PHE QD 3.500 . 5.500 2.540 2.259 3.359 . 0 0 "[ . 1 . 2]" 1
267 1 38 TRP HZ2 1 47 PHE QE 3.500 . 5.500 2.750 2.095 4.027 . 0 0 "[ . 1 . 2]" 1
268 1 38 TRP HZ3 1 40 ASN H 3.500 . 3.500 2.675 2.324 3.009 . 0 0 "[ . 1 . 2]" 1
269 1 39 PHE H 1 39 PHE QB 3.500 . 4.100 2.653 2.592 2.721 . 0 0 "[ . 1 . 2]" 1
270 1 39 PHE H 1 76 VAL QG 5.000 . 7.400 5.523 5.465 5.629 . 0 0 "[ . 1 . 2]" 1
271 1 39 PHE H 1 78 ASP H 5.000 . 5.000 4.971 4.667 5.094 0.094 18 0 "[ . 1 . 2]" 1
272 1 39 PHE HA 1 40 ASN H 2.900 . 2.900 2.161 2.159 2.163 . 0 0 "[ . 1 . 2]" 1
273 1 39 PHE HA 1 46 GLY H 5.000 . 5.000 5.016 4.806 5.268 0.268 12 0 "[ . 1 . 2]" 1
274 1 39 PHE HA 1 47 PHE H 3.500 . 3.500 3.577 3.537 3.660 0.160 8 0 "[ . 1 . 2]" 1
275 1 39 PHE QB 1 40 ASN H 5.000 . 6.000 3.882 3.815 3.902 . 0 0 "[ . 1 . 2]" 1
276 1 39 PHE QB 1 59 VAL QG 5.000 . 8.400 4.077 3.720 4.295 . 0 0 "[ . 1 . 2]" 1
277 1 39 PHE QB 1 76 VAL MG1 3.500 . 6.000 3.548 3.404 3.741 . 0 0 "[ . 1 . 2]" 1
278 1 39 PHE HZ 1 41 VAL HA 5.000 . 5.000 4.237 3.823 4.581 . 0 0 "[ . 1 . 2]" 1
279 1 39 PHE HZ 1 44 GLY QA 5.000 . 6.000 4.072 3.459 4.442 . 0 0 "[ . 1 . 2]" 1
280 1 39 PHE HZ 1 61 GLN H 3.500 . 3.500 3.613 3.516 3.711 0.211 13 0 "[ . 1 . 2]" 1
281 1 39 PHE HZ 1 61 GLN HA 5.000 . 5.000 3.782 3.502 4.125 . 0 0 "[ . 1 . 2]" 1
282 1 39 PHE HZ 1 61 GLN QB 5.000 . 6.000 3.101 2.207 4.105 . 0 0 "[ . 1 . 2]" 1
283 1 39 PHE HZ 1 61 GLN QG 5.000 . 6.000 3.522 1.810 4.736 . 0 0 "[ . 1 . 2]" 1
284 1 39 PHE HZ 1 64 ILE MD 5.000 . 6.500 3.905 3.569 4.176 . 0 0 "[ . 1 . 2]" 1
285 1 39 PHE HZ 1 75 SER HA 5.000 . 5.000 3.692 3.049 4.080 . 0 0 "[ . 1 . 2]" 1
286 1 40 ASN H 1 40 ASN QB 2.900 . 3.500 2.359 2.287 2.386 . 0 0 "[ . 1 . 2]" 1
287 1 40 ASN H 1 45 TYR H 5.000 . 5.000 4.362 4.127 4.587 . 0 0 "[ . 1 . 2]" 1
288 1 40 ASN H 1 46 GLY QA 5.000 . 6.000 3.190 3.053 3.251 . 0 0 "[ . 1 . 2]" 1
289 1 40 ASN H 1 47 PHE H 5.000 . 5.000 5.108 4.916 5.212 0.212 15 0 "[ . 1 . 2]" 1
290 1 40 ASN HA 1 41 VAL H 2.900 . 2.900 2.121 2.116 2.146 . 0 0 "[ . 1 . 2]" 1
291 1 40 ASN HA 1 41 VAL MG2 5.000 . 6.500 3.733 3.603 3.813 . 0 0 "[ . 1 . 2]" 1
292 1 40 ASN HA 1 42 ARG H 5.000 . 5.000 3.976 3.894 4.031 . 0 0 "[ . 1 . 2]" 1
293 1 40 ASN QB 1 41 VAL H 5.000 . 6.000 3.379 3.097 3.904 . 0 0 "[ . 1 . 2]" 1
294 1 40 ASN QB 1 43 ASN H 5.000 . 6.000 2.437 2.250 3.025 . 0 0 "[ . 1 . 2]" 1
295 1 40 ASN QB 1 44 GLY H 5.000 . 6.000 3.739 3.676 3.907 . 0 0 "[ . 1 . 2]" 1
296 1 40 ASN QB 1 45 TYR H 3.500 . 4.500 3.967 3.659 4.156 . 0 0 "[ . 1 . 2]" 1
297 1 41 VAL H 1 41 VAL HB 2.900 . 2.900 2.381 2.371 2.395 . 0 0 "[ . 1 . 2]" 1
298 1 41 VAL H 1 41 VAL MG1 3.500 . 5.000 3.733 3.729 3.739 . 0 0 "[ . 1 . 2]" 1
299 1 41 VAL H 1 41 VAL MG2 2.900 . 4.400 2.180 2.151 2.198 . 0 0 "[ . 1 . 2]" 1
300 1 41 VAL H 1 42 ARG H 2.900 . 2.900 2.721 2.562 2.762 . 0 0 "[ . 1 . 2]" 1
301 1 41 VAL H 1 42 ARG QB 5.000 . 6.000 4.553 4.343 4.880 . 0 0 "[ . 1 . 2]" 1
302 1 41 VAL H 1 43 ASN H 5.000 . 5.000 4.323 4.147 4.493 . 0 0 "[ . 1 . 2]" 1
303 1 41 VAL H 1 111 TYR QB 5.000 . 6.000 3.158 3.053 3.473 . 0 0 "[ . 1 . 2]" 1
304 1 41 VAL HA 1 42 ARG H 3.500 . 3.500 3.584 3.560 3.589 0.089 10 0 "[ . 1 . 2]" 1
305 1 41 VAL HB 1 42 ARG H 2.900 . 2.900 2.543 2.508 2.710 . 0 0 "[ . 1 . 2]" 1
306 1 41 VAL MG1 1 42 ARG H 2.900 . 4.400 3.210 3.158 3.436 . 0 0 "[ . 1 . 2]" 1
307 1 41 VAL MG1 1 42 ARG HA 3.500 . 5.000 3.160 3.112 3.273 . 0 0 "[ . 1 . 2]" 1
308 1 41 VAL MG1 1 112 ALA H 5.000 . 6.500 4.263 3.842 4.649 . 0 0 "[ . 1 . 2]" 1
309 1 41 VAL MG1 1 112 ALA HA 2.700 . 4.200 2.543 2.146 2.982 . 0 0 "[ . 1 . 2]" 1
310 1 41 VAL MG1 1 113 ALA H 5.000 . 6.500 3.421 2.931 4.898 . 0 0 "[ . 1 . 2]" 1
311 1 41 VAL MG1 1 113 ALA MB 2.700 . 5.700 3.795 3.663 3.953 . 0 0 "[ . 1 . 2]" 1
312 1 41 VAL MG2 1 42 ARG H 3.500 . 5.000 3.901 3.889 3.924 . 0 0 "[ . 1 . 2]" 1
313 1 41 VAL MG2 1 75 SER HA 3.500 . 5.000 3.880 3.624 4.089 . 0 0 "[ . 1 . 2]" 1
314 1 41 VAL MG2 1 75 SER QB 2.700 . 5.200 2.597 2.258 2.962 . 0 0 "[ . 1 . 2]" 1
315 1 41 VAL MG2 1 109 SER H 3.500 . 5.000 3.887 3.621 4.091 . 0 0 "[ . 1 . 2]" 1
316 1 41 VAL MG2 1 109 SER QB 2.700 . 5.200 2.640 2.114 3.228 . 0 0 "[ . 1 . 2]" 1
317 1 41 VAL MG2 1 111 TYR H 3.500 . 5.000 3.544 3.234 3.965 . 0 0 "[ . 1 . 2]" 1
318 1 41 VAL MG2 1 111 TYR QB 2.700 . 5.200 2.146 2.036 2.363 . 0 0 "[ . 1 . 2]" 1
319 1 41 VAL MG2 1 111 TYR QD 3.500 . 7.000 3.799 3.618 4.061 . 0 0 "[ . 1 . 2]" 1
320 1 41 VAL MG2 1 112 ALA H 3.500 . 5.000 2.715 2.406 3.085 . 0 0 "[ . 1 . 2]" 1
321 1 41 VAL MG2 1 112 ALA HA 5.000 . 6.500 2.301 2.122 2.544 . 0 0 "[ . 1 . 2]" 1
322 1 42 ARG H 1 42 ARG HA 2.900 . 2.900 2.846 2.832 2.863 . 0 0 "[ . 1 . 2]" 1
323 1 42 ARG H 1 42 ARG QB 2.900 . 3.500 2.297 2.255 2.458 . 0 0 "[ . 1 . 2]" 1
324 1 42 ARG H 1 42 ARG QD 5.000 . 6.000 4.405 3.674 4.703 . 0 0 "[ . 1 . 2]" 1
325 1 42 ARG H 1 43 ASN H 2.900 . 2.900 2.788 2.686 2.852 . 0 0 "[ . 1 . 2]" 1
326 1 42 ARG H 1 44 GLY H 5.000 . 5.000 4.185 3.856 4.229 . 0 0 "[ . 1 . 2]" 1
327 1 42 ARG HA 1 43 ASN H 3.500 . 3.500 3.588 3.556 3.599 0.099 15 0 "[ . 1 . 2]" 1
328 1 42 ARG QB 1 43 ASN H 2.900 . 3.900 2.639 2.480 3.514 . 0 0 "[ . 1 . 2]" 1
329 1 42 ARG QG 1 43 ASN H 5.000 . 6.000 3.487 2.084 4.171 . 0 0 "[ . 1 . 2]" 1
330 1 43 ASN H 1 43 ASN QB 2.900 . 3.500 2.374 2.325 2.653 . 0 0 "[ . 1 . 2]" 1
331 1 43 ASN H 1 44 GLY H 2.900 . 2.900 2.648 2.400 2.690 . 0 0 "[ . 1 . 2]" 1
332 1 43 ASN H 1 45 TYR H 5.000 . 5.000 4.307 3.972 4.367 . 0 0 "[ . 1 . 2]" 1
333 1 43 ASN HA 1 44 GLY H 5.000 . 5.000 3.547 3.435 3.559 . 0 0 "[ . 1 . 2]" 1
334 1 43 ASN QB 1 44 GLY H 3.500 . 4.500 2.714 2.630 3.710 . 0 0 "[ . 1 . 2]" 1
335 1 43 ASN QB 1 45 TYR H 5.000 . 6.000 2.572 2.493 3.489 . 0 0 "[ . 1 . 2]" 1
336 1 44 GLY H 1 45 TYR H 2.900 . 2.900 2.451 2.378 2.624 . 0 0 "[ . 1 . 2]" 1
337 1 44 GLY QA 1 45 TYR H 3.500 . 4.500 2.971 2.929 2.974 . 0 0 "[ . 1 . 2]" 1
338 1 45 TYR H 1 45 TYR HA 2.900 . 2.900 2.958 2.949 2.964 0.064 19 0 "[ . 1 . 2]" 1
339 1 45 TYR HA 1 46 GLY H 2.900 . 2.900 2.413 2.396 2.440 . 0 0 "[ . 1 . 2]" 1
340 1 45 TYR HA 1 61 GLN H 5.000 . 5.000 3.984 3.412 4.403 . 0 0 "[ . 1 . 2]" 1
341 1 45 TYR QB 1 46 GLY H 2.900 . 3.900 2.523 2.473 2.585 . 0 0 "[ . 1 . 2]" 1
342 1 45 TYR QB 1 60 HIS HD2 3.500 . 5.000 3.198 2.228 4.685 . 0 0 "[ . 1 . 2]" 1
343 1 45 TYR QB 1 60 HIS HE1 3.500 . 5.000 3.710 2.314 4.495 . 0 0 "[ . 1 . 2]" 1
344 1 45 TYR QB 1 61 GLN H 5.000 . 6.000 5.016 4.402 5.433 . 0 0 "[ . 1 . 2]" 1
345 1 45 TYR QD 1 46 GLY H 3.500 . 5.500 3.040 2.586 3.133 . 0 0 "[ . 1 . 2]" 1
346 1 45 TYR QE 1 47 PHE QE 3.500 . 7.500 2.024 1.776 2.455 0.024 15 0 "[ . 1 . 2]" 1
347 1 46 GLY H 1 59 VAL H 3.500 . 3.500 3.479 3.212 3.620 0.120 7 0 "[ . 1 . 2]" 1
348 1 46 GLY H 1 59 VAL QG 2.900 . 5.300 2.644 2.244 2.927 . 0 0 "[ . 1 . 2]" 1
349 1 46 GLY H 1 60 HIS HA 5.000 . 5.000 3.693 3.344 4.062 . 0 0 "[ . 1 . 2]" 1
350 1 46 GLY QA 1 47 PHE H 2.900 . 3.900 2.287 2.281 2.290 . 0 0 "[ . 1 . 2]" 1
351 1 46 GLY QA 1 59 VAL QG 5.000 . 8.400 3.011 2.801 3.274 . 0 0 "[ . 1 . 2]" 1
352 1 47 PHE H 1 47 PHE QB 3.500 . 4.100 2.591 2.515 2.639 . 0 0 "[ . 1 . 2]" 1
353 1 47 PHE H 1 47 PHE QD 5.000 . 7.000 2.828 2.735 2.930 . 0 0 "[ . 1 . 2]" 1
354 1 47 PHE H 1 48 ILE H 5.000 . 5.000 4.471 4.459 4.484 . 0 0 "[ . 1 . 2]" 1
355 1 47 PHE H 1 59 VAL QG 3.500 . 5.900 3.519 3.341 3.932 . 0 0 "[ . 1 . 2]" 1
356 1 47 PHE HA 1 48 ILE H 2.900 . 2.900 2.205 2.182 2.238 . 0 0 "[ . 1 . 2]" 1
357 1 47 PHE HA 1 59 VAL H 3.500 . 3.500 3.404 3.004 3.590 0.090 4 0 "[ . 1 . 2]" 1
358 1 47 PHE HA 1 59 VAL QG 3.500 . 5.900 2.326 2.024 2.899 . 0 0 "[ . 1 . 2]" 1
359 1 47 PHE QB 1 48 ILE H 3.500 . 4.500 2.809 2.711 2.883 . 0 0 "[ . 1 . 2]" 1
360 1 47 PHE QD 1 48 ILE H 5.000 . 7.000 3.743 3.677 3.794 . 0 0 "[ . 1 . 2]" 1
361 1 47 PHE QD 1 56 ASP QB 5.000 . 8.000 3.047 2.176 4.208 . 0 0 "[ . 1 . 2]" 1
362 1 47 PHE QD 1 58 PHE HA 5.000 . 5.500 2.979 2.548 3.618 . 0 0 "[ . 1 . 2]" 1
363 1 47 PHE QD 1 59 VAL QG 3.500 . 7.900 4.227 4.056 4.527 . 0 0 "[ . 1 . 2]" 1
364 1 47 PHE QE 1 58 PHE HA 3.500 . 5.500 3.266 2.775 3.802 . 0 0 "[ . 1 . 2]" 1
365 1 47 PHE QE 1 58 PHE QB 3.500 . 7.000 3.888 2.462 4.485 . 0 0 "[ . 1 . 2]" 1
366 1 48 ILE H 1 48 ILE HB 2.900 . 2.900 2.611 2.571 2.664 . 0 0 "[ . 1 . 2]" 1
367 1 48 ILE H 1 48 ILE MD 3.500 . 5.000 3.841 3.784 3.895 . 0 0 "[ . 1 . 2]" 1
368 1 48 ILE H 1 48 ILE QG 5.000 . 5.000 2.741 2.690 2.788 . 0 0 "[ . 1 . 2]" 1
369 1 48 ILE H 1 48 ILE MG 3.500 . 5.000 3.849 3.831 3.870 . 0 0 "[ . 1 . 2]" 1
370 1 48 ILE H 1 57 VAL H 3.500 . 3.500 2.561 2.147 3.122 . 0 0 "[ . 1 . 2]" 1
371 1 48 ILE H 1 57 VAL HB 5.000 . 5.000 3.656 2.896 5.099 0.099 11 0 "[ . 1 . 2]" 1
372 1 48 ILE H 1 57 VAL QG 3.500 . 5.900 3.495 2.394 4.272 . 0 0 "[ . 1 . 2]" 1
373 1 48 ILE H 1 58 PHE HA 5.000 . 5.000 4.389 4.182 4.785 . 0 0 "[ . 1 . 2]" 1
374 1 48 ILE H 1 59 VAL H 5.000 . 5.000 4.780 4.389 4.991 . 0 0 "[ . 1 . 2]" 1
375 1 48 ILE H 1 59 VAL QG 3.500 . 5.900 3.040 2.782 3.244 . 0 0 "[ . 1 . 2]" 1
376 1 48 ILE HA 1 49 ASN H 2.900 . 2.900 2.179 2.174 2.184 . 0 0 "[ . 1 . 2]" 1
377 1 48 ILE HA 1 59 VAL QG 5.000 . 7.400 4.234 4.029 4.426 . 0 0 "[ . 1 . 2]" 1
378 1 48 ILE HB 1 49 ASN H 5.000 . 5.000 4.252 4.211 4.283 . 0 0 "[ . 1 . 2]" 1
379 1 48 ILE MD 1 49 ASN H 5.000 . 6.500 5.179 5.145 5.220 . 0 0 "[ . 1 . 2]" 1
380 1 48 ILE MD 1 59 VAL H 5.000 . 6.500 5.138 4.803 5.302 . 0 0 "[ . 1 . 2]" 1
381 1 48 ILE MD 1 59 VAL HA 5.000 . 6.500 4.468 4.053 4.828 . 0 0 "[ . 1 . 2]" 1
382 1 48 ILE MD 1 59 VAL HB 2.700 . 4.200 2.525 2.147 3.177 . 0 0 "[ . 1 . 2]" 1
383 1 48 ILE MD 1 59 VAL QG 2.700 . 6.600 2.063 1.707 2.271 0.093 18 0 "[ . 1 . 2]" 1
384 1 48 ILE MD 1 82 VAL QG 2.700 . 6.600 1.994 1.802 2.285 . 0 0 "[ . 1 . 2]" 1
385 1 48 ILE MD 1 84 PHE QB 5.000 . 7.500 3.668 3.456 3.903 . 0 0 "[ . 1 . 2]" 1
386 1 48 ILE MD 1 84 PHE QD 3.500 . 7.000 3.237 2.994 3.512 . 0 0 "[ . 1 . 2]" 1
387 1 48 ILE MD 1 84 PHE QE 5.000 . 8.500 3.367 3.102 3.560 . 0 0 "[ . 1 . 2]" 1
388 1 48 ILE MD 1 84 PHE HZ 5.000 . 6.500 4.324 4.199 4.492 . 0 0 "[ . 1 . 2]" 1
389 1 48 ILE MD 1 95 ALA HA 5.000 . 6.500 5.117 4.869 5.388 . 0 0 "[ . 1 . 2]" 1
390 1 48 ILE MD 1 95 ALA MB 2.700 . 5.700 2.644 2.430 2.869 . 0 0 "[ . 1 . 2]" 1
391 1 48 ILE QG 1 49 ASN H 5.000 . 5.000 4.182 4.166 4.211 . 0 0 "[ . 1 . 2]" 1
392 1 48 ILE QG 1 59 VAL QG 2.700 . 5.100 2.045 1.877 2.221 . 0 0 "[ . 1 . 2]" 1
393 1 48 ILE QG 1 82 VAL QG 5.000 . 6.500 2.939 2.748 3.087 . 0 0 "[ . 1 . 2]" 1
394 1 48 ILE MG 1 49 ASN H 2.900 . 4.400 2.709 2.569 2.780 . 0 0 "[ . 1 . 2]" 1
395 1 48 ILE MG 1 49 ASN HA 5.000 . 6.500 3.908 3.857 4.017 . 0 0 "[ . 1 . 2]" 1
396 1 48 ILE MG 1 49 ASN QB 5.000 . 7.500 4.122 4.063 4.180 . 0 0 "[ . 1 . 2]" 1
397 1 48 ILE MG 1 50 ARG HA 3.500 . 5.000 3.604 3.535 3.794 . 0 0 "[ . 1 . 2]" 1
398 1 48 ILE MG 1 50 ARG QG 5.000 . 7.500 3.462 3.329 3.719 . 0 0 "[ . 1 . 2]" 1
399 1 48 ILE MG 1 51 ASN H 5.000 . 6.500 5.061 4.963 5.205 . 0 0 "[ . 1 . 2]" 1
400 1 48 ILE MG 1 57 VAL HB 5.000 . 6.500 4.081 3.529 5.314 . 0 0 "[ . 1 . 2]" 1
401 1 48 ILE MG 1 57 VAL QG 3.500 . 7.400 3.596 3.036 4.134 . 0 0 "[ . 1 . 2]" 1
402 1 48 ILE MG 1 82 VAL QG 2.700 . 5.700 2.111 1.942 2.229 . 0 0 "[ . 1 . 2]" 1
403 1 48 ILE MG 1 84 PHE QD 3.500 . 7.000 3.413 3.284 3.580 . 0 0 "[ . 1 . 2]" 1
404 1 48 ILE MG 1 84 PHE QE 2.700 . 6.200 2.210 1.991 2.393 . 0 0 "[ . 1 . 2]" 1
405 1 48 ILE MG 1 84 PHE HZ 2.700 . 4.200 2.872 2.531 3.067 . 0 0 "[ . 1 . 2]" 1
406 1 48 ILE MG 1 95 ALA MB 5.000 . 8.000 4.177 3.981 4.444 . 0 0 "[ . 1 . 2]" 1
407 1 49 ASN H 1 49 ASN QB 2.900 . 3.500 2.330 2.194 2.401 . 0 0 "[ . 1 . 2]" 1
408 1 49 ASN HA 1 50 ARG H 2.900 . 2.900 2.128 2.116 2.135 . 0 0 "[ . 1 . 2]" 1
409 1 49 ASN HD21 1 50 ARG H 5.000 . 5.000 4.200 3.841 5.257 0.257 4 0 "[ . 1 . 2]" 1
410 1 49 ASN HD21 1 56 ASP H 5.000 . 5.000 3.666 3.074 4.464 . 0 0 "[ . 1 . 2]" 1
411 1 49 ASN HD22 1 50 ARG H 5.000 . 5.000 4.342 3.294 5.071 0.071 18 0 "[ . 1 . 2]" 1
412 1 49 ASN HD22 1 56 ASP H 5.000 . 5.000 4.288 3.195 5.045 0.045 15 0 "[ . 1 . 2]" 1
413 1 50 ARG H 1 50 ARG QB 2.900 . 3.500 2.342 2.269 2.405 . 0 0 "[ . 1 . 2]" 1
414 1 50 ARG H 1 50 ARG QD 5.000 . 6.000 4.020 3.593 4.413 . 0 0 "[ . 1 . 2]" 1
415 1 50 ARG H 1 50 ARG QG 2.900 . 3.900 2.361 2.205 2.534 . 0 0 "[ . 1 . 2]" 1
416 1 50 ARG H 1 51 ASN H 5.000 . 5.000 4.619 4.589 4.638 . 0 0 "[ . 1 . 2]" 1
417 1 50 ARG H 1 54 LYS H 5.000 . 5.000 4.574 4.383 4.767 . 0 0 "[ . 1 . 2]" 1
418 1 50 ARG H 1 55 GLU H 3.500 . 3.500 3.232 3.057 3.382 . 0 0 "[ . 1 . 2]" 1
419 1 50 ARG H 1 56 ASP HA 3.500 . 3.500 3.517 3.212 3.675 0.175 11 0 "[ . 1 . 2]" 1
420 1 50 ARG H 1 57 VAL H 5.000 . 5.000 4.340 3.893 4.930 . 0 0 "[ . 1 . 2]" 1
421 1 50 ARG H 1 84 PHE HZ 5.000 . 5.000 4.274 4.001 4.579 . 0 0 "[ . 1 . 2]" 1
422 1 50 ARG HA 1 51 ASN H 2.900 . 2.900 2.177 2.163 2.188 . 0 0 "[ . 1 . 2]" 1
423 1 50 ARG HA 1 52 ASP H 3.500 . 3.500 3.596 3.521 3.746 0.246 20 0 "[ . 1 . 2]" 1
424 1 50 ARG HA 1 55 GLU H 5.000 . 5.000 4.907 4.806 5.006 0.006 2 0 "[ . 1 . 2]" 1
425 1 50 ARG QB 1 51 ASN H 5.000 . 6.000 3.142 3.074 3.230 . 0 0 "[ . 1 . 2]" 1
426 1 50 ARG QB 1 52 ASP H 2.900 . 3.900 2.444 2.328 2.745 . 0 0 "[ . 1 . 2]" 1
427 1 50 ARG QB 1 53 THR H 3.500 . 4.500 2.312 2.186 2.494 . 0 0 "[ . 1 . 2]" 1
428 1 50 ARG QB 1 53 THR MG 5.000 . 7.500 3.253 3.096 3.376 . 0 0 "[ . 1 . 2]" 1
429 1 50 ARG QB 1 54 LYS H 3.500 . 4.500 3.005 2.771 3.252 . 0 0 "[ . 1 . 2]" 1
430 1 50 ARG QB 1 55 GLU H 2.900 . 3.900 2.342 1.961 2.622 . 0 0 "[ . 1 . 2]" 1
431 1 50 ARG QD 1 55 GLU H 5.000 . 6.000 4.322 3.194 4.984 . 0 0 "[ . 1 . 2]" 1
432 1 50 ARG QD 1 57 VAL QG 2.700 . 6.100 2.474 1.886 3.801 . 0 0 "[ . 1 . 2]" 1
433 1 50 ARG QG 1 51 ASN H 5.000 . 6.000 3.906 3.780 4.031 . 0 0 "[ . 1 . 2]" 1
434 1 50 ARG QG 1 52 ASP H 5.000 . 6.000 4.273 4.154 4.463 . 0 0 "[ . 1 . 2]" 1
435 1 50 ARG QG 1 53 THR H 5.000 . 6.000 4.461 4.370 4.656 . 0 0 "[ . 1 . 2]" 1
436 1 50 ARG QG 1 53 THR MG 5.000 . 7.500 4.558 4.455 4.651 . 0 0 "[ . 1 . 2]" 1
437 1 50 ARG QG 1 57 VAL QG 2.700 . 6.100 2.358 1.896 3.320 . 0 0 "[ . 1 . 2]" 1
438 1 51 ASN H 1 51 ASN HA 2.900 . 2.900 2.937 2.902 2.953 0.053 15 0 "[ . 1 . 2]" 1
439 1 51 ASN H 1 51 ASN QB 2.900 . 3.500 2.459 2.321 2.681 . 0 0 "[ . 1 . 2]" 1
440 1 51 ASN H 1 51 ASN HD21 5.000 . 5.000 4.237 4.042 4.973 . 0 0 "[ . 1 . 2]" 1
441 1 51 ASN H 1 52 ASP H 2.900 . 2.900 2.479 2.383 2.538 . 0 0 "[ . 1 . 2]" 1
442 1 51 ASN H 1 53 THR H 5.000 . 5.000 4.169 3.946 4.261 . 0 0 "[ . 1 . 2]" 1
443 1 51 ASN H 1 84 PHE QE 5.000 . 7.000 5.250 5.006 5.533 . 0 0 "[ . 1 . 2]" 1
444 1 51 ASN H 1 84 PHE HZ 5.000 . 5.000 4.947 4.556 5.045 0.045 18 0 "[ . 1 . 2]" 1
445 1 51 ASN HA 1 52 ASP H 3.500 . 3.500 3.364 3.291 3.516 0.016 20 0 "[ . 1 . 2]" 1
446 1 51 ASN HA 1 54 LYS H 3.500 . 3.500 3.411 3.238 3.591 0.091 15 0 "[ . 1 . 2]" 1
447 1 51 ASN QB 1 52 ASP H 3.500 . 4.500 3.523 2.950 3.937 . 0 0 "[ . 1 . 2]" 1
448 1 52 ASP H 1 52 ASP HA 2.900 . 2.900 2.968 2.893 2.990 0.090 15 0 "[ . 1 . 2]" 1
449 1 52 ASP H 1 52 ASP QB 2.900 . 3.500 2.412 2.284 2.750 . 0 0 "[ . 1 . 2]" 1
450 1 52 ASP H 1 53 THR H 2.900 . 2.900 2.143 1.984 2.528 . 0 0 "[ . 1 . 2]" 1
451 1 52 ASP H 1 53 THR HA 5.000 . 5.000 4.918 4.777 5.224 0.224 20 0 "[ . 1 . 2]" 1
452 1 52 ASP H 1 53 THR MG 3.500 . 5.000 3.950 3.868 4.107 . 0 0 "[ . 1 . 2]" 1
453 1 52 ASP H 1 54 LYS H 3.500 . 3.500 3.226 3.026 3.545 0.045 12 0 "[ . 1 . 2]" 1
454 1 52 ASP HA 1 53 THR H 3.500 . 3.500 3.513 3.390 3.553 0.053 20 0 "[ . 1 . 2]" 1
455 1 52 ASP QB 1 53 THR MG 3.500 . 6.000 2.584 2.393 3.221 . 0 0 "[ . 1 . 2]" 1
456 1 53 THR H 1 53 THR HA 2.900 . 2.900 2.989 2.981 2.992 0.092 16 0 "[ . 1 . 2]" 1
457 1 53 THR H 1 53 THR HB 3.500 . 3.500 3.725 3.689 3.810 0.310 10 0 "[ . 1 . 2]" 1
458 1 53 THR H 1 53 THR MG 2.900 . 4.400 2.642 2.400 2.924 . 0 0 "[ . 1 . 2]" 1
459 1 53 THR H 1 54 LYS H 2.900 . 2.900 1.996 1.751 2.148 0.049 10 0 "[ . 1 . 2]" 1
460 1 53 THR H 1 55 GLU H 3.500 . 3.500 3.575 3.503 3.654 0.154 11 0 "[ . 1 . 2]" 1
461 1 53 THR HA 1 54 LYS H 3.500 . 3.500 3.408 3.382 3.430 . 0 0 "[ . 1 . 2]" 1
462 1 53 THR HA 1 55 GLU H 5.000 . 5.000 4.487 4.414 4.572 . 0 0 "[ . 1 . 2]" 1
463 1 53 THR HB 1 54 LYS H 5.000 . 5.000 4.188 4.143 4.259 . 0 0 "[ . 1 . 2]" 1
464 1 53 THR HB 1 55 GLU H 3.500 . 3.500 3.623 3.567 3.684 0.184 7 0 "[ . 1 . 2]" 1
465 1 53 THR MG 1 54 LYS H 3.500 . 5.000 4.080 4.017 4.120 . 0 0 "[ . 1 . 2]" 1
466 1 54 LYS H 1 54 LYS HA 2.900 . 2.900 2.314 2.311 2.317 . 0 0 "[ . 1 . 2]" 1
467 1 54 LYS H 1 54 LYS QD 5.000 . 6.000 3.948 2.703 4.675 . 0 0 "[ . 1 . 2]" 1
468 1 54 LYS H 1 54 LYS QE 5.000 . 6.000 4.608 3.816 5.187 . 0 0 "[ . 1 . 2]" 1
469 1 54 LYS H 1 54 LYS QG 3.500 . 4.500 2.613 2.553 2.655 . 0 0 "[ . 1 . 2]" 1
470 1 54 LYS H 1 55 GLU H 2.900 . 2.900 2.694 2.651 2.754 . 0 0 "[ . 1 . 2]" 1
471 1 54 LYS HA 1 55 GLU H 2.900 . 2.900 2.920 2.880 2.951 0.051 9 0 "[ . 1 . 2]" 1
472 1 55 GLU H 1 55 GLU HA 2.900 . 2.900 2.990 2.988 2.992 0.092 14 0 "[ . 1 . 2]" 1
473 1 55 GLU H 1 55 GLU QB 2.900 . 3.500 2.503 2.460 2.560 . 0 0 "[ . 1 . 2]" 1
474 1 55 GLU H 1 55 GLU QG 3.500 . 4.500 3.791 3.012 4.093 . 0 0 "[ . 1 . 2]" 1
475 1 55 GLU H 1 56 ASP H 5.000 . 5.000 4.444 4.407 4.496 . 0 0 "[ . 1 . 2]" 1
476 1 55 GLU HA 1 56 ASP H 2.900 . 2.900 2.140 2.114 2.218 . 0 0 "[ . 1 . 2]" 1
477 1 55 GLU QB 1 56 ASP H 2.900 . 3.900 3.448 2.715 3.691 . 0 0 "[ . 1 . 2]" 1
478 1 55 GLU QG 1 56 ASP H 2.900 . 3.900 2.798 2.359 3.713 . 0 0 "[ . 1 . 2]" 1
479 1 56 ASP H 1 56 ASP HA 2.900 . 2.900 2.877 2.852 2.938 0.038 13 0 "[ . 1 . 2]" 1
480 1 56 ASP H 1 56 ASP QB 2.900 . 3.500 2.353 2.264 2.630 . 0 0 "[ . 1 . 2]" 1
481 1 56 ASP H 1 57 VAL H 5.000 . 5.000 4.642 4.503 4.669 . 0 0 "[ . 1 . 2]" 1
482 1 56 ASP HA 1 57 VAL H 2.900 . 2.900 2.220 2.135 2.346 . 0 0 "[ . 1 . 2]" 1
483 1 56 ASP HA 1 57 VAL QG 3.500 . 5.900 3.497 3.368 3.754 . 0 0 "[ . 1 . 2]" 1
484 1 56 ASP QB 1 57 VAL H 5.000 . 6.000 3.006 2.523 3.835 . 0 0 "[ . 1 . 2]" 1
485 1 57 VAL H 1 57 VAL HB 2.900 . 2.900 2.766 2.548 3.203 0.303 7 0 "[ . 1 . 2]" 1
486 1 57 VAL H 1 57 VAL QG 2.900 . 4.600 2.617 2.155 2.801 . 0 0 "[ . 1 . 2]" 1
487 1 57 VAL H 1 58 PHE H 5.000 . 5.000 4.405 4.350 4.498 . 0 0 "[ . 1 . 2]" 1
488 1 57 VAL HA 1 58 PHE H 2.900 . 2.900 2.184 2.144 2.288 . 0 0 "[ . 1 . 2]" 1
489 1 57 VAL HA 1 93 ALA MB 3.500 . 5.000 3.402 2.599 4.092 . 0 0 "[ . 1 . 2]" 1
490 1 57 VAL HB 1 58 PHE H 5.000 . 5.000 4.170 4.025 4.256 . 0 0 "[ . 1 . 2]" 1
491 1 57 VAL QG 1 58 PHE H 2.900 . 5.300 2.439 2.008 2.652 . 0 0 "[ . 1 . 2]" 1
492 1 57 VAL QG 1 84 PHE QE 3.500 . 7.900 2.526 2.241 3.065 . 0 0 "[ . 1 . 2]" 1
493 1 57 VAL QG 1 84 PHE HZ 3.500 . 5.900 3.196 2.829 3.795 . 0 0 "[ . 1 . 2]" 1
494 1 57 VAL QG 1 93 ALA MB 2.700 . 6.600 2.431 1.865 3.020 . 0 0 "[ . 1 . 2]" 1
495 1 57 VAL QG 1 94 GLU H 3.500 . 5.900 3.543 3.124 3.948 . 0 0 "[ . 1 . 2]" 1
496 1 57 VAL QG 1 95 ALA H 2.900 . 5.300 2.440 1.920 2.898 . 0 0 "[ . 1 . 2]" 1
497 1 58 PHE H 1 58 PHE QB 2.900 . 3.500 2.304 2.224 2.365 . 0 0 "[ . 1 . 2]" 1
498 1 58 PHE H 1 59 VAL H 5.000 . 5.000 4.646 4.564 4.685 . 0 0 "[ . 1 . 2]" 1
499 1 58 PHE H 1 94 GLU HA 2.900 . 2.900 2.946 2.687 3.097 0.197 16 0 "[ . 1 . 2]" 1
500 1 58 PHE H 1 94 GLU QB 5.000 . 6.000 4.707 4.096 5.014 . 0 0 "[ . 1 . 2]" 1
501 1 58 PHE H 1 95 ALA H 5.000 . 5.000 4.025 3.674 4.524 . 0 0 "[ . 1 . 2]" 1
502 1 58 PHE HA 1 59 VAL H 2.900 . 2.900 2.221 2.189 2.252 . 0 0 "[ . 1 . 2]" 1
503 1 58 PHE HA 1 59 VAL QG 3.500 . 5.900 3.538 3.351 3.629 . 0 0 "[ . 1 . 2]" 1
504 1 58 PHE QB 1 59 VAL H 5.000 . 6.000 3.229 2.945 3.787 . 0 0 "[ . 1 . 2]" 1
505 1 59 VAL H 1 59 VAL HB 3.500 . 3.500 3.460 3.305 3.876 0.376 2 0 "[ . 1 . 2]" 1
506 1 59 VAL H 1 59 VAL QG 2.900 . 4.600 2.326 2.107 2.421 . 0 0 "[ . 1 . 2]" 1
507 1 59 VAL H 1 60 HIS H 5.000 . 5.000 4.396 4.364 4.480 . 0 0 "[ . 1 . 2]" 1
508 1 59 VAL H 1 95 ALA MB 5.000 . 6.500 4.655 4.313 4.860 . 0 0 "[ . 1 . 2]" 1
509 1 59 VAL HA 1 60 HIS H 2.900 . 2.900 2.224 2.185 2.321 . 0 0 "[ . 1 . 2]" 1
510 1 59 VAL HA 1 63 ALA MB 3.500 . 5.000 3.356 3.203 3.474 . 0 0 "[ . 1 . 2]" 1
511 1 59 VAL HA 1 95 ALA H 3.500 . 3.500 3.451 3.218 3.607 0.107 17 0 "[ . 1 . 2]" 1
512 1 59 VAL HA 1 95 ALA MB 2.700 . 4.200 3.080 2.622 3.339 . 0 0 "[ . 1 . 2]" 1
513 1 59 VAL HB 1 60 HIS H 3.500 . 3.500 3.759 2.490 3.942 0.442 16 0 "[ . 1 . 2]" 1
514 1 59 VAL HB 1 95 ALA H 5.000 . 5.000 4.198 3.473 4.957 . 0 0 "[ . 1 . 2]" 1
515 1 59 VAL HB 1 95 ALA MB 2.700 . 4.200 2.512 2.109 3.311 . 0 0 "[ . 1 . 2]" 1
516 1 59 VAL HB 1 98 VAL QG 5.000 . 7.400 3.474 3.126 3.900 . 0 0 "[ . 1 . 2]" 1
517 1 59 VAL QG 1 60 HIS H 2.900 . 5.300 2.132 1.960 3.227 . 0 0 "[ . 1 . 2]" 1
518 1 59 VAL QG 1 63 ALA H 5.000 . 7.400 4.219 3.775 5.424 . 0 0 "[ . 1 . 2]" 1
519 1 59 VAL QG 1 63 ALA MB 2.700 . 6.600 2.501 1.963 3.673 . 0 0 "[ . 1 . 2]" 1
520 1 59 VAL QG 1 76 VAL MG1 2.700 . 6.600 3.804 3.475 3.956 . 0 0 "[ . 1 . 2]" 1
521 1 59 VAL QG 1 95 ALA MB 2.700 . 6.600 2.749 1.716 3.088 0.084 2 0 "[ . 1 . 2]" 1
522 1 59 VAL QG 1 98 VAL QG 5.000 . 9.800 2.179 1.844 2.571 . 0 0 "[ . 1 . 2]" 1
523 1 60 HIS H 1 60 HIS QB 3.500 . 4.100 2.631 2.481 2.686 . 0 0 "[ . 1 . 2]" 1
524 1 60 HIS H 1 61 GLN H 5.000 . 5.000 4.480 4.459 4.510 . 0 0 "[ . 1 . 2]" 1
525 1 60 HIS H 1 63 ALA H 5.000 . 5.000 3.533 3.363 3.689 . 0 0 "[ . 1 . 2]" 1
526 1 60 HIS H 1 63 ALA MB 3.500 . 5.000 2.150 1.940 2.299 . 0 0 "[ . 1 . 2]" 1
527 1 60 HIS H 1 95 ALA MB 5.000 . 6.500 4.427 4.041 4.685 . 0 0 "[ . 1 . 2]" 1
528 1 60 HIS HA 1 61 GLN H 2.900 . 2.900 2.381 2.342 2.446 . 0 0 "[ . 1 . 2]" 1
529 1 60 HIS QB 1 61 GLN H 5.000 . 6.000 2.632 2.506 2.984 . 0 0 "[ . 1 . 2]" 1
530 1 60 HIS QB 1 62 THR H 5.000 . 6.000 2.600 2.256 2.856 . 0 0 "[ . 1 . 2]" 1
531 1 60 HIS QB 1 63 ALA H 5.000 . 6.000 2.985 2.741 3.164 . 0 0 "[ . 1 . 2]" 1
532 1 60 HIS QB 1 63 ALA MB 5.000 . 7.500 2.788 2.386 3.164 . 0 0 "[ . 1 . 2]" 1
533 1 61 GLN H 1 61 GLN HA 2.900 . 2.900 2.845 2.836 2.854 . 0 0 "[ . 1 . 2]" 1
534 1 61 GLN H 1 61 GLN QB 2.900 . 3.500 2.405 2.259 2.493 . 0 0 "[ . 1 . 2]" 1
535 1 61 GLN H 1 61 GLN QG 2.900 . 3.900 2.286 2.077 3.978 0.078 14 0 "[ . 1 . 2]" 1
536 1 61 GLN H 1 62 THR H 3.500 . 3.500 2.715 2.688 2.765 . 0 0 "[ . 1 . 2]" 1
537 1 61 GLN H 1 63 ALA H 5.000 . 5.000 4.007 3.889 4.133 . 0 0 "[ . 1 . 2]" 1
538 1 61 GLN H 1 64 ILE MD 5.000 . 6.500 4.325 4.196 4.712 . 0 0 "[ . 1 . 2]" 1
539 1 61 GLN HA 1 62 THR H 5.000 . 5.000 3.520 3.465 3.570 . 0 0 "[ . 1 . 2]" 1
540 1 61 GLN HA 1 63 ALA H 3.500 . 3.500 3.702 3.654 3.786 0.286 8 0 "[ . 1 . 2]" 1
541 1 61 GLN HA 1 64 ILE H 5.000 . 5.000 3.712 3.418 3.845 . 0 0 "[ . 1 . 2]" 1
542 1 61 GLN HA 1 64 ILE MD 2.700 . 4.200 2.046 1.918 2.413 . 0 0 "[ . 1 . 2]" 1
543 1 61 GLN QB 1 62 THR H 3.500 . 4.500 3.211 2.561 3.664 . 0 0 "[ . 1 . 2]" 1
544 1 61 GLN QB 1 62 THR MG 3.500 . 6.000 3.709 3.075 4.233 . 0 0 "[ . 1 . 2]" 1
545 1 61 GLN QG 1 64 ILE MD 5.000 . 7.500 3.839 2.720 4.638 . 0 0 "[ . 1 . 2]" 1
546 1 62 THR H 1 62 THR MG 2.900 . 4.400 2.154 2.063 2.250 . 0 0 "[ . 1 . 2]" 1
547 1 62 THR H 1 64 ILE H 5.000 . 5.000 4.157 4.018 4.249 . 0 0 "[ . 1 . 2]" 1
548 1 62 THR HA 1 63 ALA H 3.500 . 3.500 3.422 3.388 3.462 . 0 0 "[ . 1 . 2]" 1
549 1 62 THR HA 1 64 ILE H 3.500 . 3.500 3.495 3.461 3.666 0.166 16 0 "[ . 1 . 2]" 1
550 1 62 THR HB 1 63 ALA H 5.000 . 5.000 4.157 4.076 4.223 . 0 0 "[ . 1 . 2]" 1
551 1 63 ALA H 1 63 ALA HA 2.900 . 2.900 2.945 2.924 2.962 0.062 6 0 "[ . 1 . 2]" 1
552 1 63 ALA H 1 63 ALA MB 2.900 . 4.000 2.237 2.162 2.287 . 0 0 "[ . 1 . 2]" 1
553 1 63 ALA H 1 64 ILE H 2.900 . 2.900 2.498 2.437 2.530 . 0 0 "[ . 1 . 2]" 1
554 1 63 ALA H 1 64 ILE HB 5.000 . 5.000 4.606 4.509 4.674 . 0 0 "[ . 1 . 2]" 1
555 1 63 ALA H 1 64 ILE MD 5.000 . 6.500 4.441 4.327 4.584 . 0 0 "[ . 1 . 2]" 1
556 1 63 ALA H 1 64 ILE QG 5.000 . 5.000 3.381 3.272 3.530 . 0 0 "[ . 1 . 2]" 1
557 1 63 ALA H 1 98 VAL QG 5.000 . 7.400 5.121 4.886 5.273 . 0 0 "[ . 1 . 2]" 1
558 1 63 ALA HA 1 64 ILE H 3.500 . 3.500 3.316 3.278 3.383 . 0 0 "[ . 1 . 2]" 1
559 1 63 ALA HA 1 97 ASN H 3.500 . 3.500 3.509 3.385 3.618 0.118 16 0 "[ . 1 . 2]" 1
560 1 63 ALA HA 1 98 VAL H 5.000 . 5.000 4.732 4.527 4.936 . 0 0 "[ . 1 . 2]" 1
561 1 63 ALA HA 1 98 VAL QG 5.000 . 7.400 4.769 4.573 5.022 . 0 0 "[ . 1 . 2]" 1
562 1 63 ALA MB 1 64 ILE H 2.900 . 4.400 3.305 3.178 3.357 . 0 0 "[ . 1 . 2]" 1
563 1 63 ALA MB 1 64 ILE MD 3.500 . 6.500 4.435 4.359 4.513 . 0 0 "[ . 1 . 2]" 1
564 1 63 ALA MB 1 64 ILE QG 5.000 . 6.500 3.169 3.079 3.234 . 0 0 "[ . 1 . 2]" 1
565 1 63 ALA MB 1 95 ALA MB 3.500 . 6.500 3.683 3.462 3.970 . 0 0 "[ . 1 . 2]" 1
566 1 63 ALA MB 1 96 ALA H 5.000 . 6.500 4.396 4.167 4.629 . 0 0 "[ . 1 . 2]" 1
567 1 63 ALA MB 1 96 ALA HA 2.700 . 4.200 2.115 1.857 2.334 . 0 0 "[ . 1 . 2]" 1
568 1 63 ALA MB 1 97 ASN H 2.900 . 4.400 3.401 3.162 3.556 . 0 0 "[ . 1 . 2]" 1
569 1 63 ALA MB 1 98 VAL H 3.500 . 5.000 3.794 3.599 3.987 . 0 0 "[ . 1 . 2]" 1
570 1 63 ALA MB 1 98 VAL QG 2.700 . 6.600 2.939 2.744 3.181 . 0 0 "[ . 1 . 2]" 1
571 1 64 ILE H 1 64 ILE HB 2.900 . 2.900 2.456 2.438 2.472 . 0 0 "[ . 1 . 2]" 1
572 1 64 ILE H 1 64 ILE MD 2.900 . 4.400 3.546 3.507 3.588 . 0 0 "[ . 1 . 2]" 1
573 1 64 ILE H 1 64 ILE QG 3.500 . 3.500 2.387 2.313 2.465 . 0 0 "[ . 1 . 2]" 1
574 1 64 ILE H 1 64 ILE MG 2.900 . 4.400 3.780 3.768 3.789 . 0 0 "[ . 1 . 2]" 1
575 1 64 ILE H 1 65 LYS H 5.000 . 5.000 4.250 4.164 4.338 . 0 0 "[ . 1 . 2]" 1
576 1 64 ILE H 1 74 ARG QB 5.000 . 6.000 4.460 4.201 4.679 . 0 0 "[ . 1 . 2]" 1
577 1 64 ILE H 1 74 ARG QD 3.500 . 4.500 3.549 3.233 4.102 . 0 0 "[ . 1 . 2]" 1
578 1 64 ILE H 1 98 VAL HB 5.000 . 5.000 4.648 4.358 4.822 . 0 0 "[ . 1 . 2]" 1
579 1 64 ILE H 1 98 VAL QG 5.000 . 7.400 4.645 4.505 4.792 . 0 0 "[ . 1 . 2]" 1
580 1 64 ILE HA 1 65 LYS H 2.900 . 2.900 2.177 2.150 2.225 . 0 0 "[ . 1 . 2]" 1
581 1 64 ILE HA 1 66 LYS H 5.000 . 5.000 3.746 3.572 3.815 . 0 0 "[ . 1 . 2]" 1
582 1 64 ILE HA 1 76 VAL MG2 5.000 . 6.500 4.824 4.654 4.989 . 0 0 "[ . 1 . 2]" 1
583 1 64 ILE HA 1 98 VAL H 2.900 . 2.900 2.504 2.293 2.734 . 0 0 "[ . 1 . 2]" 1
584 1 64 ILE HA 1 98 VAL QG 2.700 . 5.100 3.207 3.084 3.371 . 0 0 "[ . 1 . 2]" 1
585 1 64 ILE HB 1 74 ARG QD 3.500 . 4.500 2.394 2.121 2.747 . 0 0 "[ . 1 . 2]" 1
586 1 64 ILE MD 1 74 ARG HA 3.500 . 5.000 4.061 3.856 4.189 . 0 0 "[ . 1 . 2]" 1
587 1 64 ILE MD 1 74 ARG QB 2.700 . 5.200 2.288 2.135 2.432 . 0 0 "[ . 1 . 2]" 1
588 1 64 ILE MD 1 74 ARG QD 3.500 . 6.000 3.475 3.254 3.781 . 0 0 "[ . 1 . 2]" 1
589 1 64 ILE MD 1 75 SER H 2.900 . 4.400 3.318 3.098 3.499 . 0 0 "[ . 1 . 2]" 1
590 1 64 ILE MD 1 75 SER HA 2.700 . 4.200 3.238 2.916 3.506 . 0 0 "[ . 1 . 2]" 1
591 1 64 ILE MD 1 76 VAL MG1 2.700 . 5.700 3.916 3.860 3.959 . 0 0 "[ . 1 . 2]" 1
592 1 64 ILE MD 1 76 VAL MG2 2.700 . 5.700 1.757 1.731 1.778 0.069 14 0 "[ . 1 . 2]" 1
593 1 64 ILE MD 1 98 VAL QG 2.700 . 6.600 3.561 3.351 3.795 . 0 0 "[ . 1 . 2]" 1
594 1 64 ILE MD 1 106 VAL MG1 3.500 . 6.500 3.353 3.008 3.645 . 0 0 "[ . 1 . 2]" 1
595 1 64 ILE QG 1 65 LYS H 5.000 . 5.000 4.305 4.266 4.348 . 0 0 "[ . 1 . 2]" 1
596 1 64 ILE QG 1 98 VAL QG 5.000 . 7.400 2.677 2.490 2.874 . 0 0 "[ . 1 . 2]" 1
597 1 64 ILE MG 1 65 LYS H 3.500 . 5.000 3.267 3.136 3.430 . 0 0 "[ . 1 . 2]" 1
598 1 64 ILE MG 1 66 LYS H 2.900 . 4.400 2.698 2.534 2.828 . 0 0 "[ . 1 . 2]" 1
599 1 64 ILE MG 1 68 ASN H 5.000 . 6.500 4.883 4.763 4.980 . 0 0 "[ . 1 . 2]" 1
600 1 64 ILE MG 1 74 ARG QD 5.000 . 7.500 3.314 2.889 3.842 . 0 0 "[ . 1 . 2]" 1
601 1 64 ILE MG 1 75 SER H 3.500 . 5.000 3.897 3.713 4.007 . 0 0 "[ . 1 . 2]" 1
602 1 64 ILE MG 1 98 VAL H 5.000 . 6.500 4.129 3.888 4.387 . 0 0 "[ . 1 . 2]" 1
603 1 64 ILE MG 1 106 VAL H 5.000 . 6.500 4.156 3.946 4.389 . 0 0 "[ . 1 . 2]" 1
604 1 65 LYS H 1 65 LYS QB 2.900 . 3.500 2.256 2.251 2.318 . 0 0 "[ . 1 . 2]" 1
605 1 65 LYS H 1 65 LYS QD 5.000 . 6.000 4.382 3.766 4.646 . 0 0 "[ . 1 . 2]" 1
606 1 65 LYS H 1 66 LYS H 2.900 . 2.900 2.688 2.633 2.725 . 0 0 "[ . 1 . 2]" 1
607 1 65 LYS H 1 97 ASN HA 5.000 . 5.000 2.596 2.392 2.854 . 0 0 "[ . 1 . 2]" 1
608 1 65 LYS H 1 98 VAL H 2.900 . 2.900 2.646 2.458 2.840 . 0 0 "[ . 1 . 2]" 1
609 1 65 LYS H 1 98 VAL HB 5.000 . 5.000 3.766 3.587 4.202 . 0 0 "[ . 1 . 2]" 1
610 1 65 LYS H 1 98 VAL QG 5.000 . 7.400 4.093 3.988 4.349 . 0 0 "[ . 1 . 2]" 1
611 1 65 LYS H 1 99 THR MG 5.000 . 6.500 3.472 3.117 4.139 . 0 0 "[ . 1 . 2]" 1
612 1 65 LYS HA 1 66 LYS H 3.500 . 3.500 3.573 3.556 3.579 0.079 1 0 "[ . 1 . 2]" 1
613 1 65 LYS HA 1 99 THR MG 5.000 . 6.500 4.666 4.395 5.319 . 0 0 "[ . 1 . 2]" 1
614 1 65 LYS QB 1 66 LYS H 2.900 . 3.900 2.541 2.502 2.662 . 0 0 "[ . 1 . 2]" 1
615 1 65 LYS QB 1 97 ASN H 3.500 . 4.500 3.954 3.829 4.269 . 0 0 "[ . 1 . 2]" 1
616 1 65 LYS QB 1 98 VAL H 3.500 . 4.500 3.868 3.743 4.140 . 0 0 "[ . 1 . 2]" 1
617 1 65 LYS QB 1 99 THR MG 2.700 . 5.200 2.381 2.126 3.026 . 0 0 "[ . 1 . 2]" 1
618 1 65 LYS QG 1 99 THR MG 3.500 . 6.000 3.465 3.050 4.283 . 0 0 "[ . 1 . 2]" 1
619 1 66 LYS H 1 66 LYS QB 3.500 . 4.100 2.556 2.379 2.637 . 0 0 "[ . 1 . 2]" 1
620 1 66 LYS H 1 66 LYS QD 5.000 . 6.000 4.188 3.109 4.913 . 0 0 "[ . 1 . 2]" 1
621 1 66 LYS H 1 66 LYS QE 5.000 . 6.000 4.969 4.701 5.483 . 0 0 "[ . 1 . 2]" 1
622 1 66 LYS H 1 66 LYS QG 3.500 . 4.500 3.029 2.711 4.109 . 0 0 "[ . 1 . 2]" 1
623 1 66 LYS H 1 67 ASN H 5.000 . 5.000 4.476 4.426 4.505 . 0 0 "[ . 1 . 2]" 1
624 1 66 LYS H 1 98 VAL H 5.000 . 5.000 4.734 4.311 4.977 . 0 0 "[ . 1 . 2]" 1
625 1 66 LYS H 1 99 THR HA 5.000 . 5.000 3.477 3.276 3.916 . 0 0 "[ . 1 . 2]" 1
626 1 66 LYS H 1 99 THR MG 2.900 . 4.400 2.260 1.927 2.978 . 0 0 "[ . 1 . 2]" 1
627 1 66 LYS H 1 106 VAL MG2 5.000 . 6.500 3.989 3.782 4.455 . 0 0 "[ . 1 . 2]" 1
628 1 66 LYS HA 1 67 ASN H 2.900 . 2.900 2.196 2.150 2.236 . 0 0 "[ . 1 . 2]" 1
629 1 66 LYS HA 1 99 THR MG 5.000 . 6.500 4.058 3.896 4.409 . 0 0 "[ . 1 . 2]" 1
630 1 66 LYS QB 1 99 THR MG 2.700 . 5.200 1.998 1.758 2.267 0.042 15 0 "[ . 1 . 2]" 1
631 1 66 LYS QB 1 100 GLY H 5.000 . 6.000 3.461 3.201 3.854 . 0 0 "[ . 1 . 2]" 1
632 1 66 LYS QB 1 106 VAL H 3.500 . 4.500 3.272 3.028 3.873 . 0 0 "[ . 1 . 2]" 1
633 1 66 LYS QB 1 106 VAL MG2 5.000 . 7.500 3.399 3.038 3.766 . 0 0 "[ . 1 . 2]" 1
634 1 66 LYS QD 1 67 ASN H 5.000 . 6.000 4.618 3.486 5.014 . 0 0 "[ . 1 . 2]" 1
635 1 66 LYS QD 1 99 THR MG 2.700 . 5.200 2.632 1.982 3.831 . 0 0 "[ . 1 . 2]" 1
636 1 66 LYS QE 1 99 THR MG 2.700 . 5.200 3.149 2.691 3.784 . 0 0 "[ . 1 . 2]" 1
637 1 66 LYS QG 1 99 THR MG 2.700 . 5.200 2.483 2.030 3.830 . 0 0 "[ . 1 . 2]" 1
638 1 66 LYS QG 1 100 GLY H 5.000 . 6.000 5.161 4.423 5.514 . 0 0 "[ . 1 . 2]" 1
639 1 66 LYS QG 1 106 VAL H 5.000 . 6.000 5.070 3.086 5.458 . 0 0 "[ . 1 . 2]" 1
640 1 67 ASN H 1 67 ASN QB 3.500 . 4.100 2.945 2.620 3.231 . 0 0 "[ . 1 . 2]" 1
641 1 67 ASN H 1 67 ASN QD 5.000 . 5.000 4.570 4.228 4.984 . 0 0 "[ . 1 . 2]" 1
642 1 67 ASN HA 1 106 VAL H 5.000 . 5.000 2.184 1.906 2.574 . 0 0 "[ . 1 . 2]" 1
643 1 67 ASN HA 1 106 VAL MG1 2.700 . 4.200 3.679 3.636 3.741 . 0 0 "[ . 1 . 2]" 1
644 1 67 ASN HA 1 106 VAL MG2 3.500 . 5.000 3.168 2.982 3.412 . 0 0 "[ . 1 . 2]" 1
645 1 67 ASN QB 1 68 ASN H 5.000 . 6.000 2.765 2.125 3.655 . 0 0 "[ . 1 . 2]" 1
646 1 67 ASN QB 1 106 VAL MG1 5.000 . 7.500 4.132 3.672 4.678 . 0 0 "[ . 1 . 2]" 1
647 1 67 ASN QD 1 71 LYS QB 5.000 . 6.000 3.105 2.280 3.764 . 0 0 "[ . 1 . 2]" 1
648 1 67 ASN QD 1 74 ARG HA 3.500 . 3.500 2.261 1.857 3.004 . 0 0 "[ . 1 . 2]" 1
649 1 67 ASN QD 1 75 SER H 5.000 . 5.000 2.697 1.840 3.290 . 0 0 "[ . 1 . 2]" 1
650 1 68 ASN H 1 68 ASN HA 2.900 . 2.900 2.856 2.826 2.878 . 0 0 "[ . 1 . 2]" 1
651 1 68 ASN H 1 68 ASN QB 2.900 . 3.500 2.276 2.210 2.534 . 0 0 "[ . 1 . 2]" 1
652 1 68 ASN H 1 69 PRO QD 5.000 . 6.000 4.317 4.233 4.447 . 0 0 "[ . 1 . 2]" 1
653 1 68 ASN H 1 106 VAL QG 2.900 . 4.900 3.669 3.488 3.750 . 0 0 "[ . 1 . 2]" 1
654 1 68 ASN HA 1 70 ARG H 5.000 . 5.000 3.779 3.675 4.101 . 0 0 "[ . 1 . 2]" 1
655 1 68 ASN QB 1 71 LYS H 5.000 . 6.000 3.174 2.910 3.999 . 0 0 "[ . 1 . 2]" 1
656 1 68 ASN QB 1 106 VAL MG1 3.500 . 6.000 4.213 4.064 4.382 . 0 0 "[ . 1 . 2]" 1
657 1 68 ASN QD 1 71 LYS QE 3.500 . 4.500 3.009 2.065 3.904 . 0 0 "[ . 1 . 2]" 1
658 1 68 ASN QD 1 107 GLN HA 3.500 . 3.500 3.149 2.745 3.566 0.066 15 0 "[ . 1 . 2]" 1
659 1 69 PRO HA 1 70 ARG H 3.500 . 3.500 3.500 3.397 3.573 0.073 5 0 "[ . 1 . 2]" 1
660 1 69 PRO HA 1 71 LYS H 3.500 . 3.500 3.693 3.583 3.845 0.345 17 0 "[ . 1 . 2]" 1
661 1 69 PRO QB 1 70 ARG H 3.500 . 4.500 3.207 2.543 3.616 . 0 0 "[ . 1 . 2]" 1
662 1 69 PRO QD 1 70 ARG H 2.900 . 3.900 2.708 2.575 2.794 . 0 0 "[ . 1 . 2]" 1
663 1 69 PRO QD 1 106 VAL H 5.000 . 6.000 5.429 5.071 5.715 . 0 0 "[ . 1 . 2]" 1
664 1 69 PRO QG 1 70 ARG H 2.900 . 3.900 3.046 2.573 3.856 . 0 0 "[ . 1 . 2]" 1
665 1 70 ARG H 1 70 ARG HA 2.900 . 2.900 2.867 2.844 2.901 0.001 7 0 "[ . 1 . 2]" 1
666 1 70 ARG H 1 70 ARG QB 2.900 . 3.500 2.368 2.212 2.429 . 0 0 "[ . 1 . 2]" 1
667 1 70 ARG H 1 70 ARG QD 3.500 . 4.500 3.522 1.910 4.077 . 0 0 "[ . 1 . 2]" 1
668 1 70 ARG H 1 70 ARG QG 2.900 . 3.900 2.342 2.114 3.411 . 0 0 "[ . 1 . 2]" 1
669 1 70 ARG H 1 71 LYS H 2.900 . 2.900 2.599 2.517 2.683 . 0 0 "[ . 1 . 2]" 1
670 1 70 ARG HA 1 71 LYS H 3.500 . 3.500 3.478 3.431 3.560 0.060 17 0 "[ . 1 . 2]" 1
671 1 70 ARG QB 1 71 LYS H 5.000 . 6.000 3.037 2.701 3.735 . 0 0 "[ . 1 . 2]" 1
672 1 70 ARG QD 1 71 LYS H 5.000 . 6.000 4.928 4.198 5.255 . 0 0 "[ . 1 . 2]" 1
673 1 70 ARG QG 1 71 LYS H 5.000 . 6.000 4.198 2.509 4.726 . 0 0 "[ . 1 . 2]" 1
674 1 71 LYS H 1 71 LYS QB 2.900 . 3.500 2.388 2.099 2.560 . 0 0 "[ . 1 . 2]" 1
675 1 71 LYS H 1 71 LYS QD 5.000 . 6.000 3.597 2.599 4.405 . 0 0 "[ . 1 . 2]" 1
676 1 71 LYS H 1 71 LYS QE 5.000 . 6.000 4.655 4.242 5.287 . 0 0 "[ . 1 . 2]" 1
677 1 71 LYS H 1 71 LYS QG 3.500 . 4.500 2.834 2.212 4.094 . 0 0 "[ . 1 . 2]" 1
678 1 71 LYS HA 1 72 TYR H 2.900 . 2.900 2.176 2.149 2.259 . 0 0 "[ . 1 . 2]" 1
679 1 71 LYS QB 1 72 TYR H 3.500 . 4.500 3.241 2.809 3.874 . 0 0 "[ . 1 . 2]" 1
680 1 71 LYS QB 1 73 LEU H 3.500 . 4.500 3.115 2.380 3.890 . 0 0 "[ . 1 . 2]" 1
681 1 71 LYS QB 1 112 ALA MB 3.500 . 6.000 2.698 1.989 3.875 . 0 0 "[ . 1 . 2]" 1
682 1 71 LYS QD 1 112 ALA MB 2.700 . 5.200 2.277 1.763 3.696 0.037 12 0 "[ . 1 . 2]" 1
683 1 71 LYS QE 1 109 SER H 5.000 . 6.000 4.513 2.931 5.554 . 0 0 "[ . 1 . 2]" 1
684 1 71 LYS QE 1 112 ALA MB 3.500 . 6.000 2.824 2.125 3.478 . 0 0 "[ . 1 . 2]" 1
685 1 71 LYS QG 1 72 TYR H 5.000 . 6.000 4.142 3.010 4.731 . 0 0 "[ . 1 . 2]" 1
686 1 72 TYR H 1 72 TYR HA 2.900 . 2.900 2.885 2.844 2.976 0.076 7 0 "[ . 1 . 2]" 1
687 1 72 TYR H 1 72 TYR QB 2.900 . 3.500 2.429 2.259 2.771 . 0 0 "[ . 1 . 2]" 1
688 1 72 TYR H 1 72 TYR QD 3.500 . 5.500 2.768 1.994 4.197 . 0 0 "[ . 1 . 2]" 1
689 1 72 TYR H 1 72 TYR QE 5.000 . 7.000 4.690 3.791 6.232 . 0 0 "[ . 1 . 2]" 1
690 1 72 TYR H 1 73 LEU H 5.000 . 5.000 2.578 2.192 2.754 . 0 0 "[ . 1 . 2]" 1
691 1 72 TYR H 1 112 ALA MB 5.000 . 6.500 4.770 3.849 5.371 . 0 0 "[ . 1 . 2]" 1
692 1 72 TYR HA 1 73 LEU H 3.500 . 3.500 3.524 3.236 3.578 0.078 16 0 "[ . 1 . 2]" 1
693 1 72 TYR QB 1 73 LEU H 3.500 . 4.500 2.787 2.427 3.916 . 0 0 "[ . 1 . 2]" 1
694 1 72 TYR QD 1 73 LEU H 5.000 . 7.000 3.666 3.156 4.068 . 0 0 "[ . 1 . 2]" 1
695 1 72 TYR QD 1 73 LEU QD 5.000 . 9.400 3.936 2.133 5.864 . 0 0 "[ . 1 . 2]" 1
696 1 72 TYR QD 1 113 ALA MB 3.500 . 7.000 3.539 2.823 5.102 . 0 0 "[ . 1 . 2]" 1
697 1 72 TYR QE 1 113 ALA MB 3.500 . 7.000 4.474 2.524 5.099 . 0 0 "[ . 1 . 2]" 1
698 1 73 LEU H 1 73 LEU HA 2.900 . 2.900 2.981 2.958 2.996 0.096 7 0 "[ . 1 . 2]" 1
699 1 73 LEU H 1 73 LEU QB 2.900 . 3.500 2.417 2.253 2.578 . 0 0 "[ . 1 . 2]" 1
700 1 73 LEU H 1 73 LEU QD 3.500 . 5.200 3.399 1.952 3.883 . 0 0 "[ . 1 . 2]" 1
701 1 73 LEU H 1 112 ALA MB 5.000 . 6.500 3.965 3.239 4.581 . 0 0 "[ . 1 . 2]" 1
702 1 73 LEU HA 1 73 LEU QD 2.700 . 4.400 1.979 1.773 2.254 0.027 1 0 "[ . 1 . 2]" 1
703 1 73 LEU QD 1 112 ALA HA 5.000 . 7.400 3.849 2.520 5.039 . 0 0 "[ . 1 . 2]" 1
704 1 73 LEU QD 1 112 ALA MB 3.500 . 7.400 4.125 2.942 4.592 . 0 0 "[ . 1 . 2]" 1
705 1 73 LEU QD 1 113 ALA H 5.000 . 7.400 3.008 1.679 5.118 0.121 12 0 "[ . 1 . 2]" 1
706 1 74 ARG HA 1 75 SER H 2.900 . 2.900 2.161 2.131 2.182 . 0 0 "[ . 1 . 2]" 1
707 1 74 ARG QB 1 75 SER H 3.500 . 4.500 3.073 2.976 3.253 . 0 0 "[ . 1 . 2]" 1
708 1 74 ARG QD 1 75 SER H 5.000 . 6.000 5.066 4.956 5.278 . 0 0 "[ . 1 . 2]" 1
709 1 74 ARG QG 1 75 SER H 5.000 . 6.000 3.930 3.879 4.036 . 0 0 "[ . 1 . 2]" 1
710 1 75 SER H 1 76 VAL H 5.000 . 5.000 4.404 4.350 4.446 . 0 0 "[ . 1 . 2]" 1
711 1 75 SER H 1 106 VAL MG1 5.000 . 6.500 4.165 3.749 4.447 . 0 0 "[ . 1 . 2]" 1
712 1 75 SER H 1 109 SER H 5.000 . 5.000 4.965 4.562 5.141 0.141 11 0 "[ . 1 . 2]" 1
713 1 75 SER HA 1 76 VAL MG1 5.000 . 6.500 5.424 5.410 5.437 . 0 0 "[ . 1 . 2]" 1
714 1 75 SER HA 1 109 SER H 5.000 . 5.000 4.395 4.066 4.622 . 0 0 "[ . 1 . 2]" 1
715 1 75 SER QB 1 109 SER H 5.000 . 6.000 2.296 1.883 2.626 . 0 0 "[ . 1 . 2]" 1
716 1 75 SER QB 1 112 ALA MB 3.500 . 6.000 2.101 1.812 2.711 . 0 0 "[ . 1 . 2]" 1
717 1 76 VAL H 1 77 GLY H 5.000 . 5.000 4.389 4.356 4.433 . 0 0 "[ . 1 . 2]" 1
718 1 76 VAL H 1 109 SER H 5.000 . 5.000 3.604 3.052 3.974 . 0 0 "[ . 1 . 2]" 1
719 1 76 VAL HA 1 77 GLY H 2.900 . 2.900 2.180 2.167 2.199 . 0 0 "[ . 1 . 2]" 1
720 1 76 VAL HA 1 82 VAL QG 5.000 . 6.500 4.426 4.337 4.525 . 0 0 "[ . 1 . 2]" 1
721 1 76 VAL HA 1 108 GLY H 3.500 . 3.500 3.041 2.913 3.178 . 0 0 "[ . 1 . 2]" 1
722 1 76 VAL HA 1 109 SER H 5.000 . 5.000 4.283 3.894 4.518 . 0 0 "[ . 1 . 2]" 1
723 1 76 VAL HB 1 77 GLY H 5.000 . 5.000 4.173 4.089 4.239 . 0 0 "[ . 1 . 2]" 1
724 1 76 VAL QG 1 77 GLY H 3.500 . 5.000 2.551 2.441 2.646 . 0 0 "[ . 1 . 2]" 1
725 1 76 VAL QG 1 80 GLU QG 5.000 . 7.500 3.821 2.801 4.011 . 0 0 "[ . 1 . 2]" 1
726 1 76 VAL QG 1 82 VAL HB 5.000 . 6.500 3.853 3.690 3.955 . 0 0 "[ . 1 . 2]" 1
727 1 76 VAL QG 1 106 VAL HB 3.500 . 5.000 3.719 3.570 3.910 . 0 0 "[ . 1 . 2]" 1
728 1 76 VAL QG 1 106 VAL QG 2.700 . 6.600 1.892 1.828 1.974 . 0 0 "[ . 1 . 2]" 1
729 1 76 VAL QG 1 107 GLN H 5.000 . 6.500 4.691 4.580 4.777 . 0 0 "[ . 1 . 2]" 1
730 1 76 VAL QG 1 108 GLY QA 5.000 . 7.500 3.492 3.420 3.742 . 0 0 "[ . 1 . 2]" 1
731 1 77 GLY H 1 78 ASP H 5.000 . 5.000 4.669 4.649 4.679 . 0 0 "[ . 1 . 2]" 1
732 1 77 GLY H 1 80 GLU QB 5.000 . 6.000 3.355 3.079 3.970 . 0 0 "[ . 1 . 2]" 1
733 1 77 GLY H 1 80 GLU QG 3.500 . 4.500 3.925 3.430 4.361 . 0 0 "[ . 1 . 2]" 1
734 1 77 GLY H 1 108 GLY H 3.500 . 3.500 2.160 1.827 2.663 . 0 0 "[ . 1 . 2]" 1
735 1 77 GLY H 1 108 GLY QA 5.000 . 6.000 2.534 2.312 3.217 . 0 0 "[ . 1 . 2]" 1
736 1 77 GLY H 1 109 SER H 5.000 . 5.000 4.376 4.085 4.634 . 0 0 "[ . 1 . 2]" 1
737 1 77 GLY H 1 109 SER HA 5.000 . 5.000 4.827 4.408 5.044 0.044 14 0 "[ . 1 . 2]" 1
738 1 77 GLY QA 1 78 ASP H 2.900 . 3.900 2.176 2.148 2.203 . 0 0 "[ . 1 . 2]" 1
739 1 77 GLY QA 1 109 SER H 5.000 . 6.000 3.621 3.371 3.814 . 0 0 "[ . 1 . 2]" 1
740 1 77 GLY QA 1 110 LYS H 5.000 . 6.000 4.527 4.074 4.820 . 0 0 "[ . 1 . 2]" 1
741 1 78 ASP H 1 78 ASP HA 2.900 . 2.900 2.933 2.903 2.959 0.059 2 0 "[ . 1 . 2]" 1
742 1 78 ASP H 1 78 ASP QB 2.900 . 3.500 2.381 2.292 2.662 . 0 0 "[ . 1 . 2]" 1
743 1 78 ASP H 1 79 GLY H 5.000 . 5.000 4.561 4.418 4.614 . 0 0 "[ . 1 . 2]" 1
744 1 78 ASP H 1 109 SER HA 3.500 . 3.500 3.651 3.379 3.829 0.329 14 0 "[ . 1 . 2]" 1
745 1 78 ASP H 1 109 SER QB 5.000 . 6.000 3.973 3.465 4.447 . 0 0 "[ . 1 . 2]" 1
746 1 78 ASP HA 1 79 GLY H 2.900 . 2.900 2.171 2.150 2.202 . 0 0 "[ . 1 . 2]" 1
747 1 78 ASP HA 1 80 GLU H 3.500 . 3.500 3.253 3.159 3.464 . 0 0 "[ . 1 . 2]" 1
748 1 78 ASP QB 1 79 GLY H 3.500 . 4.500 3.336 3.006 3.905 . 0 0 "[ . 1 . 2]" 1
749 1 79 GLY H 1 80 GLU H 2.900 . 2.900 2.491 2.396 2.549 . 0 0 "[ . 1 . 2]" 1
750 1 79 GLY QA 1 80 GLU H 3.500 . 4.500 2.942 2.935 2.945 . 0 0 "[ . 1 . 2]" 1
751 1 80 GLU H 1 80 GLU HA 2.900 . 2.900 2.936 2.893 2.963 0.063 1 0 "[ . 1 . 2]" 1
752 1 80 GLU H 1 80 GLU QB 2.900 . 3.500 2.278 2.252 2.354 . 0 0 "[ . 1 . 2]" 1
753 1 80 GLU H 1 80 GLU QG 3.500 . 4.500 3.909 2.278 4.020 . 0 0 "[ . 1 . 2]" 1
754 1 80 GLU H 1 81 THR H 5.000 . 5.000 4.557 4.511 4.650 . 0 0 "[ . 1 . 2]" 1
755 1 80 GLU HA 1 81 THR H 2.900 . 2.900 2.155 2.136 2.304 . 0 0 "[ . 1 . 2]" 1
756 1 80 GLU QB 1 81 THR H 2.900 . 3.900 3.677 2.681 3.768 . 0 0 "[ . 1 . 2]" 1
757 1 80 GLU QB 1 82 VAL QG 3.500 . 6.000 3.162 3.027 3.614 . 0 0 "[ . 1 . 2]" 1
758 1 80 GLU QG 1 81 THR H 3.500 . 4.500 2.836 2.606 3.324 . 0 0 "[ . 1 . 2]" 1
759 1 80 GLU QG 1 82 VAL QG 2.700 . 5.200 2.602 1.889 2.742 . 0 0 "[ . 1 . 2]" 1
760 1 81 THR H 1 81 THR HA 2.900 . 2.900 2.893 2.876 2.949 0.049 2 0 "[ . 1 . 2]" 1
761 1 81 THR H 1 81 THR HB 2.900 . 2.900 2.487 2.466 2.507 . 0 0 "[ . 1 . 2]" 1
762 1 81 THR H 1 81 THR MG 2.900 . 4.400 3.765 3.762 3.780 . 0 0 "[ . 1 . 2]" 1
763 1 81 THR HA 1 82 VAL H 2.900 . 2.900 2.197 2.189 2.208 . 0 0 "[ . 1 . 2]" 1
764 1 81 THR HA 1 82 VAL QG 5.000 . 6.500 3.121 3.098 3.140 . 0 0 "[ . 1 . 2]" 1
765 1 81 THR HB 1 82 VAL H 5.000 . 5.000 4.180 4.148 4.212 . 0 0 "[ . 1 . 2]" 1
766 1 81 THR MG 1 82 VAL H 2.900 . 4.400 2.577 2.516 2.635 . 0 0 "[ . 1 . 2]" 1
767 1 81 THR MG 1 82 VAL HA 5.000 . 6.500 3.562 3.526 3.614 . 0 0 "[ . 1 . 2]" 1
768 1 81 THR MG 1 101 PRO QB 3.500 . 6.000 3.334 2.827 3.930 . 0 0 "[ . 1 . 2]" 1
769 1 81 THR MG 1 101 PRO QD 3.500 . 6.000 3.663 3.362 4.040 . 0 0 "[ . 1 . 2]" 1
770 1 81 THR MG 1 101 PRO QG 2.700 . 5.200 2.888 2.142 3.502 . 0 0 "[ . 1 . 2]" 1
771 1 82 VAL H 1 82 VAL QG 2.900 . 5.900 2.064 2.023 2.107 . 0 0 "[ . 1 . 2]" 1
772 1 82 VAL HA 1 83 GLU H 2.900 . 2.900 2.345 2.325 2.395 . 0 0 "[ . 1 . 2]" 1
773 1 82 VAL HA 1 99 THR H 5.000 . 5.000 5.024 4.907 5.120 0.120 2 0 "[ . 1 . 2]" 1
774 1 82 VAL HB 1 83 GLU H 3.500 . 3.500 2.582 2.475 2.630 . 0 0 "[ . 1 . 2]" 1
775 1 82 VAL HB 1 99 THR H 5.000 . 5.000 3.928 3.703 4.159 . 0 0 "[ . 1 . 2]" 1
776 1 82 VAL QG 1 83 GLU H 3.500 . 6.500 3.226 3.141 3.259 . 0 0 "[ . 1 . 2]" 1
777 1 82 VAL QG 1 83 GLU HA 5.000 . 6.500 3.673 3.547 3.733 . 0 0 "[ . 1 . 2]" 1
778 1 82 VAL QG 1 84 PHE QD 2.700 . 6.200 1.921 1.869 2.010 . 0 0 "[ . 1 . 2]" 1
779 1 82 VAL QG 1 84 PHE QE 2.700 . 6.200 2.145 1.975 2.294 . 0 0 "[ . 1 . 2]" 1
780 1 82 VAL QG 1 99 THR H 5.000 . 6.500 4.422 4.259 4.605 . 0 0 "[ . 1 . 2]" 1
781 1 82 VAL QG 1 100 GLY QA 5.000 . 7.500 3.320 3.038 3.672 . 0 0 "[ . 1 . 2]" 1
782 1 82 VAL QG 1 101 PRO QD 5.000 . 7.500 3.733 3.281 4.128 . 0 0 "[ . 1 . 2]" 1
783 1 82 VAL QG 1 106 VAL HA 5.000 . 6.500 4.260 4.143 4.358 . 0 0 "[ . 1 . 2]" 1
784 1 82 VAL QG 1 106 VAL QG 5.000 . 8.000 2.731 2.592 2.981 . 0 0 "[ . 1 . 2]" 1
785 1 83 GLU H 1 83 GLU QB 3.500 . 4.100 2.556 2.462 2.988 . 0 0 "[ . 1 . 2]" 1
786 1 83 GLU H 1 98 VAL HA 5.000 . 5.000 4.509 4.395 4.608 . 0 0 "[ . 1 . 2]" 1
787 1 83 GLU H 1 98 VAL QG 3.500 . 5.900 3.554 3.313 3.800 . 0 0 "[ . 1 . 2]" 1
788 1 83 GLU H 1 99 THR H 2.900 . 2.900 3.060 3.017 3.134 0.234 2 0 "[ . 1 . 2]" 1
789 1 83 GLU H 1 100 GLY QA 5.000 . 6.000 3.337 3.154 3.512 . 0 0 "[ . 1 . 2]" 1
790 1 83 GLU H 1 101 PRO HA 5.000 . 5.000 4.520 4.184 4.887 . 0 0 "[ . 1 . 2]" 1
791 1 83 GLU HA 1 84 PHE H 2.900 . 2.900 2.220 2.200 2.265 . 0 0 "[ . 1 . 2]" 1
792 1 83 GLU QB 1 84 PHE H 3.500 . 4.500 3.493 2.966 3.809 . 0 0 "[ . 1 . 2]" 1
793 1 83 GLU QB 1 102 GLY H 3.500 . 4.500 4.022 3.783 4.129 . 0 0 "[ . 1 . 2]" 1
794 1 83 GLU QG 1 84 PHE H 3.500 . 4.500 3.181 2.631 3.987 . 0 0 "[ . 1 . 2]" 1
795 1 83 GLU QG 1 102 GLY H 5.000 . 6.000 4.753 3.617 5.480 . 0 0 "[ . 1 . 2]" 1
796 1 84 PHE H 1 84 PHE HA 2.900 . 2.900 2.933 2.924 2.945 0.045 4 0 "[ . 1 . 2]" 1
797 1 84 PHE H 1 84 PHE QB 3.500 . 4.100 3.270 3.235 3.323 . 0 0 "[ . 1 . 2]" 1
798 1 84 PHE H 1 84 PHE QD 2.900 . 4.900 2.992 2.887 3.160 . 0 0 "[ . 1 . 2]" 1
799 1 84 PHE H 1 84 PHE QE 5.000 . 7.000 4.165 4.113 4.221 . 0 0 "[ . 1 . 2]" 1
800 1 84 PHE HA 1 85 ASP H 2.900 . 2.900 2.351 2.323 2.393 . 0 0 "[ . 1 . 2]" 1
801 1 84 PHE HA 1 96 ALA H 5.000 . 5.000 4.671 4.523 4.795 . 0 0 "[ . 1 . 2]" 1
802 1 84 PHE HA 1 98 VAL QG 3.500 . 5.900 3.556 3.495 3.630 . 0 0 "[ . 1 . 2]" 1
803 1 84 PHE HA 1 99 THR H 3.500 . 3.500 3.578 3.485 3.727 0.227 19 0 "[ . 1 . 2]" 1
804 1 84 PHE QB 1 85 ASP H 2.900 . 3.900 2.425 2.331 2.488 . 0 0 "[ . 1 . 2]" 1
805 1 84 PHE QB 1 95 ALA MB 3.500 . 6.000 2.793 2.508 2.961 . 0 0 "[ . 1 . 2]" 1
806 1 84 PHE QB 1 96 ALA H 3.500 . 4.500 2.748 2.588 2.916 . 0 0 "[ . 1 . 2]" 1
807 1 84 PHE QB 1 98 VAL QG 2.700 . 6.100 1.827 1.772 1.990 0.028 8 0 "[ . 1 . 2]" 1
808 1 84 PHE QB 1 99 THR H 3.500 . 4.500 3.372 3.279 3.474 . 0 0 "[ . 1 . 2]" 1
809 1 84 PHE QD 1 85 ASP H 3.500 . 5.500 3.516 3.315 3.703 . 0 0 "[ . 1 . 2]" 1
810 1 84 PHE QD 1 86 VAL QG 2.700 . 7.100 2.765 2.368 3.036 . 0 0 "[ . 1 . 2]" 1
811 1 84 PHE QD 1 95 ALA MB 2.700 . 6.200 2.649 2.391 3.052 . 0 0 "[ . 1 . 2]" 1
812 1 84 PHE QD 1 96 ALA H 3.500 . 5.500 3.353 3.059 3.730 . 0 0 "[ . 1 . 2]" 1
813 1 84 PHE QD 1 98 VAL QG 3.500 . 7.900 2.822 2.655 2.955 . 0 0 "[ . 1 . 2]" 1
814 1 84 PHE QE 1 86 VAL QG 2.700 . 7.100 2.152 1.852 2.594 . 0 0 "[ . 1 . 2]" 1
815 1 84 PHE QE 1 95 ALA MB 3.500 . 7.000 3.306 2.966 3.959 . 0 0 "[ . 1 . 2]" 1
816 1 84 PHE QE 1 98 VAL QG 5.000 . 9.400 4.215 4.075 4.318 . 0 0 "[ . 1 . 2]" 1
817 1 84 PHE HZ 1 86 VAL QG 5.000 . 7.400 4.016 3.692 4.465 . 0 0 "[ . 1 . 2]" 1
818 1 85 ASP H 1 85 ASP QB 3.500 . 4.100 2.360 2.289 2.634 . 0 0 "[ . 1 . 2]" 1
819 1 85 ASP H 1 95 ALA MB 5.000 . 6.500 4.570 4.345 4.820 . 0 0 "[ . 1 . 2]" 1
820 1 85 ASP H 1 96 ALA H 2.900 . 2.900 3.027 2.902 3.112 0.212 15 0 "[ . 1 . 2]" 1
821 1 85 ASP H 1 98 VAL HA 5.000 . 5.000 4.305 4.169 4.394 . 0 0 "[ . 1 . 2]" 1
822 1 85 ASP H 1 98 VAL QG 3.500 . 5.900 4.029 3.885 4.110 . 0 0 "[ . 1 . 2]" 1
823 1 85 ASP HA 1 86 VAL H 2.900 . 2.900 2.271 2.173 2.541 . 0 0 "[ . 1 . 2]" 1
824 1 85 ASP HA 1 86 VAL QG 5.000 . 7.400 3.410 3.218 3.575 . 0 0 "[ . 1 . 2]" 1
825 1 85 ASP QB 1 86 VAL H 2.900 . 3.900 2.963 2.254 3.847 . 0 0 "[ . 1 . 2]" 1
826 1 85 ASP QB 1 87 VAL QG 3.500 . 6.900 3.726 3.032 4.475 . 0 0 "[ . 1 . 2]" 1
827 1 85 ASP QB 1 96 ALA H 5.000 . 6.000 3.540 3.197 4.515 . 0 0 "[ . 1 . 2]" 1
828 1 85 ASP QB 1 97 ASN HD21 5.000 . 6.000 3.616 2.436 6.219 0.219 1 0 "[ . 1 . 2]" 1
829 1 86 VAL H 1 86 VAL HB 2.900 . 2.900 2.537 2.490 2.682 . 0 0 "[ . 1 . 2]" 1
830 1 86 VAL H 1 86 VAL QG 2.900 . 4.600 2.477 2.267 2.746 . 0 0 "[ . 1 . 2]" 1
831 1 86 VAL H 1 87 VAL H 5.000 . 5.000 4.441 4.329 4.506 . 0 0 "[ . 1 . 2]" 1
832 1 86 VAL HA 1 87 VAL H 2.900 . 2.900 2.137 2.131 2.144 . 0 0 "[ . 1 . 2]" 1
833 1 86 VAL HA 1 87 VAL QG 3.500 . 5.900 3.549 3.216 3.647 . 0 0 "[ . 1 . 2]" 1
834 1 86 VAL HA 1 94 GLU H 5.000 . 5.000 4.304 4.071 4.494 . 0 0 "[ . 1 . 2]" 1
835 1 86 VAL HA 1 96 ALA H 5.000 . 5.000 4.047 3.612 4.451 . 0 0 "[ . 1 . 2]" 1
836 1 86 VAL HB 1 87 VAL H 5.000 . 5.000 4.250 4.230 4.283 . 0 0 "[ . 1 . 2]" 1
837 1 86 VAL QG 1 87 VAL H 2.900 . 5.300 2.682 2.552 2.740 . 0 0 "[ . 1 . 2]" 1
838 1 86 VAL QG 1 93 ALA HA 3.500 . 5.900 3.576 3.253 3.819 . 0 0 "[ . 1 . 2]" 1
839 1 86 VAL QG 1 93 ALA MB 2.700 . 6.600 2.232 2.000 2.492 . 0 0 "[ . 1 . 2]" 1
840 1 86 VAL QG 1 94 GLU H 2.900 . 5.300 3.184 2.898 3.428 . 0 0 "[ . 1 . 2]" 1
841 1 86 VAL QG 1 95 ALA HA 5.000 . 7.400 3.518 2.991 3.914 . 0 0 "[ . 1 . 2]" 1
842 1 87 VAL H 1 87 VAL HB 3.500 . 3.500 3.029 2.581 3.819 0.319 11 0 "[ . 1 . 2]" 1
843 1 87 VAL H 1 87 VAL QG 2.900 . 4.600 2.321 1.946 2.752 . 0 0 "[ . 1 . 2]" 1
844 1 87 VAL H 1 88 GLU H 5.000 . 5.000 4.423 4.370 4.521 . 0 0 "[ . 1 . 2]" 1
845 1 87 VAL H 1 93 ALA HA 5.000 . 5.000 4.628 4.390 4.752 . 0 0 "[ . 1 . 2]" 1
846 1 87 VAL H 1 93 ALA MB 5.000 . 6.500 4.237 3.795 4.463 . 0 0 "[ . 1 . 2]" 1
847 1 87 VAL H 1 94 GLU H 2.900 . 2.900 2.873 2.563 3.038 0.138 4 0 "[ . 1 . 2]" 1
848 1 87 VAL H 1 94 GLU QB 5.000 . 6.000 3.702 2.941 4.656 . 0 0 "[ . 1 . 2]" 1
849 1 87 VAL H 1 94 GLU QG 5.000 . 6.000 4.597 2.892 5.237 . 0 0 "[ . 1 . 2]" 1
850 1 87 VAL H 1 95 ALA HA 3.500 . 3.500 3.539 3.464 3.702 0.202 15 0 "[ . 1 . 2]" 1
851 1 87 VAL HA 1 88 GLU H 2.900 . 2.900 2.203 2.160 2.353 . 0 0 "[ . 1 . 2]" 1
852 1 87 VAL HB 1 88 GLU H 5.000 . 5.000 3.961 2.610 4.256 . 0 0 "[ . 1 . 2]" 1
853 1 87 VAL QG 1 88 GLU H 2.900 . 5.300 2.563 2.028 3.335 . 0 0 "[ . 1 . 2]" 1
854 1 87 VAL QG 1 88 GLU HA 5.000 . 7.400 3.900 3.617 4.083 . 0 0 "[ . 1 . 2]" 1
855 1 87 VAL QG 1 89 GLY H 5.000 . 7.400 4.294 3.687 4.656 . 0 0 "[ . 1 . 2]" 1
856 1 87 VAL QG 1 93 ALA HA 5.000 . 7.400 4.647 4.153 5.293 . 0 0 "[ . 1 . 2]" 1
857 1 87 VAL QG 1 94 GLU H 3.500 . 5.900 3.407 2.683 4.184 . 0 0 "[ . 1 . 2]" 1
858 1 87 VAL QG 1 94 GLU HA 5.000 . 7.400 4.646 4.016 5.465 . 0 0 "[ . 1 . 2]" 1
859 1 87 VAL QG 1 94 GLU QB 2.700 . 6.100 2.639 1.883 4.271 . 0 0 "[ . 1 . 2]" 1
860 1 87 VAL QG 1 94 GLU QG 2.700 . 6.100 3.492 2.627 4.059 . 0 0 "[ . 1 . 2]" 1
861 1 87 VAL QG 1 95 ALA HA 5.000 . 7.400 3.921 3.477 4.367 . 0 0 "[ . 1 . 2]" 1
862 1 87 VAL QG 1 96 ALA HA 5.000 . 7.400 4.821 4.395 5.204 . 0 0 "[ . 1 . 2]" 1
863 1 88 GLU H 1 88 GLU HA 2.900 . 2.900 2.886 2.849 2.963 0.063 11 0 "[ . 1 . 2]" 1
864 1 88 GLU H 1 88 GLU QB 2.900 . 3.500 2.273 2.243 2.335 . 0 0 "[ . 1 . 2]" 1
865 1 88 GLU H 1 88 GLU QG 3.500 . 4.500 3.899 2.329 4.029 . 0 0 "[ . 1 . 2]" 1
866 1 88 GLU H 1 89 GLY H 5.000 . 5.000 4.539 4.403 4.618 . 0 0 "[ . 1 . 2]" 1
867 1 88 GLU HA 1 89 GLY H 2.900 . 2.900 2.135 2.127 2.158 . 0 0 "[ . 1 . 2]" 1
868 1 88 GLU HA 1 93 ALA MB 3.500 . 5.000 3.784 3.051 4.099 . 0 0 "[ . 1 . 2]" 1
869 1 88 GLU HA 1 94 GLU H 3.500 . 3.500 3.553 3.463 3.713 0.213 15 0 "[ . 1 . 2]" 1
870 1 88 GLU QB 1 89 GLY H 3.500 . 4.500 3.775 3.106 3.922 . 0 0 "[ . 1 . 2]" 1
871 1 88 GLU QG 1 89 GLY H 3.500 . 4.500 2.889 2.671 3.851 . 0 0 "[ . 1 . 2]" 1
872 1 89 GLY H 1 90 GLU H 5.000 . 5.000 4.549 4.530 4.570 . 0 0 "[ . 1 . 2]" 1
873 1 89 GLY H 1 92 GLY H 3.500 . 3.500 3.575 3.453 3.715 0.215 3 0 "[ . 1 . 2]" 1
874 1 89 GLY H 1 93 ALA H 5.000 . 5.000 4.263 3.974 4.454 . 0 0 "[ . 1 . 2]" 1
875 1 89 GLY H 1 93 ALA HA 2.900 . 2.900 2.608 2.106 2.810 . 0 0 "[ . 1 . 2]" 1
876 1 89 GLY H 1 93 ALA MB 3.500 . 5.000 4.210 3.774 4.398 . 0 0 "[ . 1 . 2]" 1
877 1 89 GLY H 1 94 GLU H 3.500 . 3.500 3.629 3.511 3.696 0.196 3 0 "[ . 1 . 2]" 1
878 1 89 GLY H 1 94 GLU QB 5.000 . 6.000 4.205 3.653 4.583 . 0 0 "[ . 1 . 2]" 1
879 1 89 GLY QA 1 90 GLU H 2.900 . 3.900 2.265 2.233 2.301 . 0 0 "[ . 1 . 2]" 1
880 1 89 GLY QA 1 91 LYS H 5.000 . 6.000 3.449 3.182 3.592 . 0 0 "[ . 1 . 2]" 1
881 1 90 GLU H 1 90 GLU HA 2.900 . 2.900 2.850 2.836 2.882 . 0 0 "[ . 1 . 2]" 1
882 1 90 GLU H 1 90 GLU QB 2.900 . 3.500 2.341 2.255 2.463 . 0 0 "[ . 1 . 2]" 1
883 1 90 GLU H 1 90 GLU QG 3.500 . 4.500 2.871 2.059 4.048 . 0 0 "[ . 1 . 2]" 1
884 1 90 GLU H 1 91 LYS H 3.500 . 3.500 2.714 2.553 2.798 . 0 0 "[ . 1 . 2]" 1
885 1 90 GLU H 1 92 GLY H 5.000 . 5.000 3.791 3.719 3.855 . 0 0 "[ . 1 . 2]" 1
886 1 90 GLU HA 1 91 LYS H 3.500 . 3.500 3.571 3.515 3.590 0.090 12 0 "[ . 1 . 2]" 1
887 1 90 GLU HA 1 92 GLY H 5.000 . 5.000 4.115 3.870 4.705 . 0 0 "[ . 1 . 2]" 1
888 1 90 GLU QB 1 91 LYS H 2.900 . 3.900 2.591 2.401 3.564 . 0 0 "[ . 1 . 2]" 1
889 1 90 GLU QB 1 92 GLY H 5.000 . 6.000 4.433 4.341 5.100 . 0 0 "[ . 1 . 2]" 1
890 1 90 GLU QG 1 91 LYS H 5.000 . 6.000 3.954 2.236 4.443 . 0 0 "[ . 1 . 2]" 1
891 1 90 GLU QG 1 92 GLY H 5.000 . 6.000 5.222 3.849 5.522 . 0 0 "[ . 1 . 2]" 1
892 1 91 LYS H 1 91 LYS HA 2.900 . 2.900 2.936 2.893 2.996 0.096 15 0 "[ . 1 . 2]" 1
893 1 91 LYS H 1 91 LYS QB 2.900 . 3.500 2.460 2.373 2.702 . 0 0 "[ . 1 . 2]" 1
894 1 91 LYS H 1 91 LYS QD 3.500 . 4.500 3.871 3.618 4.349 . 0 0 "[ . 1 . 2]" 1
895 1 91 LYS H 1 91 LYS QE 5.000 . 6.000 4.500 3.428 5.103 . 0 0 "[ . 1 . 2]" 1
896 1 91 LYS H 1 91 LYS QG 2.900 . 3.900 2.272 1.976 2.529 . 0 0 "[ . 1 . 2]" 1
897 1 91 LYS H 1 92 GLY H 2.900 . 2.900 2.404 1.918 2.548 . 0 0 "[ . 1 . 2]" 1
898 1 91 LYS HA 1 92 GLY H 3.500 . 3.500 3.437 3.305 3.502 0.002 11 0 "[ . 1 . 2]" 1
899 1 91 LYS QB 1 92 GLY H 5.000 . 6.000 3.386 2.942 3.727 . 0 0 "[ . 1 . 2]" 1
900 1 91 LYS QG 1 92 GLY H 5.000 . 6.000 3.537 2.382 4.321 . 0 0 "[ . 1 . 2]" 1
901 1 92 GLY H 1 93 ALA H 5.000 . 5.000 4.434 4.403 4.475 . 0 0 "[ . 1 . 2]" 1
902 1 92 GLY QA 1 93 ALA H 2.900 . 3.900 2.290 2.272 2.303 . 0 0 "[ . 1 . 2]" 1
903 1 92 GLY QA 1 93 ALA MB 5.000 . 7.500 3.813 3.774 3.821 . 0 0 "[ . 1 . 2]" 1
904 1 93 ALA H 1 93 ALA HA 2.900 . 2.900 2.861 2.836 2.888 . 0 0 "[ . 1 . 2]" 1
905 1 93 ALA H 1 93 ALA MB 2.900 . 4.000 2.205 2.031 2.242 . 0 0 "[ . 1 . 2]" 1
906 1 93 ALA H 1 94 GLU H 5.000 . 5.000 4.652 4.635 4.665 . 0 0 "[ . 1 . 2]" 1
907 1 93 ALA HA 1 94 GLU H 2.900 . 2.900 2.214 2.179 2.309 . 0 0 "[ . 1 . 2]" 1
908 1 93 ALA MB 1 94 GLU H 2.900 . 4.400 2.850 2.700 3.020 . 0 0 "[ . 1 . 2]" 1
909 1 94 GLU H 1 94 GLU HA 2.900 . 2.900 2.990 2.970 2.996 0.096 3 0 "[ . 1 . 2]" 1
910 1 94 GLU H 1 94 GLU QB 2.900 . 3.500 2.632 2.481 3.050 . 0 0 "[ . 1 . 2]" 1
911 1 94 GLU H 1 94 GLU QG 3.500 . 4.500 3.354 2.194 4.101 . 0 0 "[ . 1 . 2]" 1
912 1 94 GLU H 1 95 ALA H 5.000 . 5.000 4.447 4.320 4.532 . 0 0 "[ . 1 . 2]" 1
913 1 94 GLU HA 1 95 ALA H 2.900 . 2.900 2.252 2.169 2.350 . 0 0 "[ . 1 . 2]" 1
914 1 94 GLU HA 1 95 ALA MB 3.500 . 5.000 3.909 3.820 4.002 . 0 0 "[ . 1 . 2]" 1
915 1 94 GLU QB 1 95 ALA H 2.900 . 3.900 3.079 2.500 3.690 . 0 0 "[ . 1 . 2]" 1
916 1 94 GLU QG 1 95 ALA H 3.500 . 4.500 3.282 2.458 4.343 . 0 0 "[ . 1 . 2]" 1
917 1 95 ALA H 1 95 ALA MB 2.900 . 4.000 2.249 2.069 2.441 . 0 0 "[ . 1 . 2]" 1
918 1 95 ALA H 1 96 ALA H 5.000 . 5.000 4.588 4.499 4.662 . 0 0 "[ . 1 . 2]" 1
919 1 95 ALA HA 1 96 ALA H 2.900 . 2.900 2.245 2.202 2.303 . 0 0 "[ . 1 . 2]" 1
920 1 95 ALA HA 1 98 VAL QG 5.000 . 7.400 4.219 3.935 4.378 . 0 0 "[ . 1 . 2]" 1
921 1 95 ALA MB 1 96 ALA H 2.900 . 4.400 2.797 2.619 2.941 . 0 0 "[ . 1 . 2]" 1
922 1 95 ALA MB 1 98 VAL H 5.000 . 6.500 4.878 4.581 5.217 . 0 0 "[ . 1 . 2]" 1
923 1 95 ALA MB 1 98 VAL QG 2.700 . 6.600 2.367 2.095 2.672 . 0 0 "[ . 1 . 2]" 1
924 1 96 ALA H 1 98 VAL QG 3.500 . 5.900 3.352 3.115 3.480 . 0 0 "[ . 1 . 2]" 1
925 1 96 ALA HA 1 97 ASN H 2.900 . 2.900 2.357 2.302 2.409 . 0 0 "[ . 1 . 2]" 1
926 1 96 ALA HA 1 98 VAL H 5.000 . 5.000 3.656 3.564 3.777 . 0 0 "[ . 1 . 2]" 1
927 1 96 ALA HA 1 98 VAL QG 3.500 . 5.900 3.150 3.026 3.379 . 0 0 "[ . 1 . 2]" 1
928 1 97 ASN H 1 97 ASN HA 2.900 . 2.900 2.321 2.318 2.324 . 0 0 "[ . 1 . 2]" 1
929 1 97 ASN H 1 97 ASN QB 3.500 . 4.100 3.180 2.908 3.349 . 0 0 "[ . 1 . 2]" 1
930 1 97 ASN H 1 98 VAL H 2.900 . 2.900 2.801 2.764 2.847 . 0 0 "[ . 1 . 2]" 1
931 1 97 ASN H 1 98 VAL QG 3.500 . 5.900 3.740 3.676 3.866 . 0 0 "[ . 1 . 2]" 1
932 1 97 ASN HA 1 98 VAL H 2.900 . 2.900 2.739 2.687 2.780 . 0 0 "[ . 1 . 2]" 1
933 1 97 ASN HA 1 98 VAL QG 5.000 . 7.400 4.315 4.278 4.368 . 0 0 "[ . 1 . 2]" 1
934 1 97 ASN QB 1 98 VAL H 5.000 . 6.000 3.925 3.892 3.981 . 0 0 "[ . 1 . 2]" 1
935 1 97 ASN QB 1 99 THR MG 5.000 . 7.500 3.761 3.424 4.280 . 0 0 "[ . 1 . 2]" 1
936 1 98 VAL H 1 98 VAL HB 2.900 . 2.900 2.441 2.427 2.458 . 0 0 "[ . 1 . 2]" 1
937 1 98 VAL H 1 98 VAL QG 2.900 . 4.600 2.195 2.126 2.289 . 0 0 "[ . 1 . 2]" 1
938 1 98 VAL H 1 99 THR H 5.000 . 5.000 4.533 4.493 4.556 . 0 0 "[ . 1 . 2]" 1
939 1 98 VAL H 1 99 THR MG 5.000 . 6.500 4.091 3.992 4.189 . 0 0 "[ . 1 . 2]" 1
940 1 98 VAL HA 1 99 THR H 2.900 . 2.900 2.126 2.122 2.129 . 0 0 "[ . 1 . 2]" 1
941 1 98 VAL HB 1 99 THR H 5.000 . 5.000 4.296 4.266 4.335 . 0 0 "[ . 1 . 2]" 1
942 1 98 VAL QG 1 99 THR H 2.900 . 5.300 2.724 2.674 2.804 . 0 0 "[ . 1 . 2]" 1
943 1 99 THR H 1 99 THR HA 2.900 . 2.900 2.980 2.975 2.985 0.085 19 0 "[ . 1 . 2]" 1
944 1 99 THR H 1 99 THR MG 2.900 . 4.400 2.896 2.828 3.047 . 0 0 "[ . 1 . 2]" 1
945 1 99 THR H 1 100 GLY H 5.000 . 5.000 4.461 4.453 4.472 . 0 0 "[ . 1 . 2]" 1
946 1 99 THR HA 1 100 GLY H 2.900 . 2.900 2.440 2.374 2.497 . 0 0 "[ . 1 . 2]" 1
947 1 99 THR HA 1 106 VAL MG2 2.700 . 4.200 2.206 2.045 2.477 . 0 0 "[ . 1 . 2]" 1
948 1 99 THR HB 1 100 GLY H 2.900 . 2.900 2.428 2.322 2.584 . 0 0 "[ . 1 . 2]" 1
949 1 99 THR HB 1 103 GLY H 5.000 . 5.000 4.595 4.458 4.710 . 0 0 "[ . 1 . 2]" 1
950 1 99 THR HB 1 104 VAL H 5.000 . 5.000 4.979 4.847 5.049 0.049 3 0 "[ . 1 . 2]" 1
951 1 99 THR HB 1 106 VAL MG2 5.000 . 6.500 4.005 3.730 4.341 . 0 0 "[ . 1 . 2]" 1
952 1 99 THR MG 1 100 GLY H 2.900 . 4.400 3.775 3.746 3.847 . 0 0 "[ . 1 . 2]" 1
953 1 99 THR MG 1 103 GLY H 5.000 . 6.500 5.447 5.353 5.534 . 0 0 "[ . 1 . 2]" 1
954 1 99 THR MG 1 103 GLY QA 3.500 . 6.000 3.920 3.771 4.081 . 0 0 "[ . 1 . 2]" 1
955 1 100 GLY H 1 101 PRO QD 5.000 . 6.000 4.374 4.323 4.413 . 0 0 "[ . 1 . 2]" 1
956 1 100 GLY H 1 103 GLY H 5.000 . 5.000 5.069 4.997 5.157 0.157 1 0 "[ . 1 . 2]" 1
957 1 100 GLY H 1 104 VAL H 5.000 . 5.000 4.585 4.463 4.677 . 0 0 "[ . 1 . 2]" 1
958 1 100 GLY H 1 104 VAL QG 3.500 . 6.500 4.137 3.353 4.435 . 0 0 "[ . 1 . 2]" 1
959 1 100 GLY H 1 105 PRO HA 5.000 . 5.000 3.342 3.166 3.586 . 0 0 "[ . 1 . 2]" 1
960 1 100 GLY H 1 106 VAL H 5.000 . 5.000 3.545 3.401 3.776 . 0 0 "[ . 1 . 2]" 1
961 1 100 GLY H 1 106 VAL HA 5.000 . 5.000 3.790 3.612 3.983 . 0 0 "[ . 1 . 2]" 1
962 1 100 GLY H 1 106 VAL MG2 3.500 . 5.000 2.734 2.522 2.921 . 0 0 "[ . 1 . 2]" 1
963 1 100 GLY QA 1 104 VAL MG1 2.700 . 5.200 3.069 1.928 3.454 . 0 0 "[ . 1 . 2]" 1
964 1 100 GLY QA 1 106 VAL MG2 5.000 . 7.500 2.984 2.571 3.299 . 0 0 "[ . 1 . 2]" 1
965 1 101 PRO HA 1 102 GLY H 2.900 . 2.900 2.189 2.182 2.198 . 0 0 "[ . 1 . 2]" 1
966 1 101 PRO HA 1 103 GLY H 3.500 . 3.500 3.398 3.336 3.440 . 0 0 "[ . 1 . 2]" 1
967 1 101 PRO QB 1 102 GLY H 3.500 . 4.500 3.212 3.176 3.250 . 0 0 "[ . 1 . 2]" 1
968 1 101 PRO QD 1 104 VAL MG1 2.700 . 5.200 3.326 2.132 3.722 . 0 0 "[ . 1 . 2]" 1
969 1 101 PRO QG 1 102 GLY H 5.000 . 6.000 4.667 4.630 4.710 . 0 0 "[ . 1 . 2]" 1
970 1 102 GLY H 1 103 GLY H 2.900 . 2.900 2.532 2.475 2.567 . 0 0 "[ . 1 . 2]" 1
971 1 102 GLY H 1 104 VAL H 5.000 . 5.000 4.126 4.086 4.208 . 0 0 "[ . 1 . 2]" 1
972 1 103 GLY H 1 104 VAL H 2.900 . 2.900 2.517 2.491 2.542 . 0 0 "[ . 1 . 2]" 1
973 1 103 GLY H 1 104 VAL QG 3.500 . 5.900 3.921 3.616 3.986 . 0 0 "[ . 1 . 2]" 1
974 1 103 GLY QA 1 104 VAL H 3.500 . 4.500 2.947 2.945 2.949 . 0 0 "[ . 1 . 2]" 1
975 1 104 VAL H 1 104 VAL HA 2.900 . 2.900 2.855 2.840 2.883 . 0 0 "[ . 1 . 2]" 1
976 1 104 VAL H 1 104 VAL HB 3.500 . 3.500 2.440 2.258 2.491 . 0 0 "[ . 1 . 2]" 1
977 1 104 VAL H 1 104 VAL MG1 2.900 . 4.400 3.467 2.201 3.747 . 0 0 "[ . 1 . 2]" 1
978 1 104 VAL H 1 104 VAL QG 2.900 . 4.600 2.096 1.984 2.469 . 0 0 "[ . 1 . 2]" 1
979 1 104 VAL H 1 105 PRO QD 5.000 . 6.000 4.447 4.417 4.482 . 0 0 "[ . 1 . 2]" 1
980 1 104 VAL QG 1 105 PRO QD 2.700 . 6.100 1.912 1.760 2.055 0.040 8 0 "[ . 1 . 2]" 1
981 1 104 VAL MG1 1 105 PRO QD 3.500 . 6.000 2.247 1.884 3.640 . 0 0 "[ . 1 . 2]" 1
982 1 104 VAL MG1 1 105 PRO QG 3.500 . 6.000 3.590 2.821 4.641 . 0 0 "[ . 1 . 2]" 1
983 1 105 PRO HA 1 106 VAL H 2.900 . 2.900 2.290 2.265 2.322 . 0 0 "[ . 1 . 2]" 1
984 1 105 PRO HA 1 106 VAL QG 5.000 . 6.500 3.667 3.608 3.769 . 0 0 "[ . 1 . 2]" 1
985 1 105 PRO QB 1 106 VAL H 3.500 . 4.500 3.018 2.913 3.092 . 0 0 "[ . 1 . 2]" 1
986 1 105 PRO QB 1 106 VAL MG1 5.000 . 7.500 5.271 5.230 5.318 . 0 0 "[ . 1 . 2]" 1
987 1 105 PRO QG 1 106 VAL H 5.000 . 6.000 4.573 4.457 4.643 . 0 0 "[ . 1 . 2]" 1
988 1 106 VAL H 1 106 VAL QG 2.900 . 5.900 2.233 2.155 2.369 . 0 0 "[ . 1 . 2]" 1
989 1 106 VAL H 1 107 GLN H 5.000 . 5.000 4.608 4.571 4.638 . 0 0 "[ . 1 . 2]" 1
990 1 106 VAL HA 1 107 GLN H 2.900 . 2.900 2.157 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
991 1 106 VAL HA 1 108 GLY H 5.000 . 5.000 4.019 3.916 4.108 . 0 0 "[ . 1 . 2]" 1
992 1 106 VAL HB 1 107 GLN H 5.000 . 5.000 4.241 4.167 4.349 . 0 0 "[ . 1 . 2]" 1
993 1 106 VAL HB 1 108 GLY H 5.000 . 5.000 4.293 4.157 4.438 . 0 0 "[ . 1 . 2]" 1
994 1 106 VAL QG 1 107 GLN H 3.500 . 6.500 2.529 2.424 2.634 . 0 0 "[ . 1 . 2]" 1
995 1 106 VAL QG 1 108 GLY H 2.900 . 5.900 1.873 1.757 2.030 0.043 18 0 "[ . 1 . 2]" 1
996 1 106 VAL MG1 1 107 GLN HA 5.000 . 6.500 4.048 3.996 4.077 . 0 0 "[ . 1 . 2]" 1
997 1 106 VAL MG1 1 107 GLN QG 5.000 . 7.500 4.584 4.167 5.019 . 0 0 "[ . 1 . 2]" 1
998 1 106 VAL MG1 1 108 GLY QA 3.500 . 6.000 2.511 2.427 2.590 . 0 0 "[ . 1 . 2]" 1
999 1 107 GLN H 1 107 GLN HA 2.900 . 2.900 2.850 2.842 2.861 . 0 0 "[ . 1 . 2]" 1
1000 1 107 GLN H 1 107 GLN QB 2.900 . 3.500 2.294 2.246 2.386 . 0 0 "[ . 1 . 2]" 1
1001 1 107 GLN H 1 107 GLN QG 3.500 . 4.500 3.425 2.205 4.067 . 0 0 "[ . 1 . 2]" 1
1002 1 107 GLN H 1 108 GLY H 2.900 . 2.900 2.681 2.633 2.714 . 0 0 "[ . 1 . 2]" 1
1003 1 107 GLN H 1 108 GLY QA 5.000 . 6.000 4.507 4.478 4.522 . 0 0 "[ . 1 . 2]" 1
1004 1 107 GLN HA 1 108 GLY H 3.500 . 3.500 3.559 3.550 3.571 0.071 2 0 "[ . 1 . 2]" 1
1005 1 107 GLN QB 1 108 GLY H 3.500 . 4.500 2.505 2.415 2.564 . 0 0 "[ . 1 . 2]" 1
1006 1 107 GLN QG 1 108 GLY H 3.500 . 4.500 3.827 3.525 4.432 . 0 0 "[ . 1 . 2]" 1
1007 1 108 GLY H 1 109 SER H 5.000 . 5.000 4.514 4.311 4.603 . 0 0 "[ . 1 . 2]" 1
1008 1 108 GLY QA 1 109 SER H 3.500 . 4.500 2.267 2.220 2.285 . 0 0 "[ . 1 . 2]" 1
1009 1 109 SER H 1 109 SER QB 2.900 . 3.500 2.462 2.330 2.529 . 0 0 "[ . 1 . 2]" 1
1010 1 109 SER H 1 111 TYR H 5.000 . 5.000 5.061 4.824 5.184 0.184 9 0 "[ . 1 . 2]" 1
1011 1 109 SER H 1 112 ALA H 5.000 . 5.000 3.982 3.721 4.366 . 0 0 "[ . 1 . 2]" 1
1012 1 109 SER H 1 112 ALA MB 3.500 . 5.000 2.738 2.146 3.343 . 0 0 "[ . 1 . 2]" 1
1013 1 109 SER HA 1 110 LYS H 3.500 . 3.500 2.330 2.194 2.413 . 0 0 "[ . 1 . 2]" 1
1014 1 109 SER QB 1 111 TYR H 3.500 . 4.500 2.739 2.581 3.277 . 0 0 "[ . 1 . 2]" 1
1015 1 109 SER QB 1 112 ALA H 3.500 . 4.500 3.304 2.968 3.915 . 0 0 "[ . 1 . 2]" 1
1016 1 110 LYS H 1 110 LYS QD 5.000 . 6.000 3.913 3.538 4.650 . 0 0 "[ . 1 . 2]" 1
1017 1 110 LYS H 1 111 TYR H 3.500 . 3.500 2.619 2.460 2.681 . 0 0 "[ . 1 . 2]" 1
1018 1 110 LYS HA 1 111 TYR H 3.500 . 3.500 3.519 3.440 3.548 0.048 11 0 "[ . 1 . 2]" 1
1019 1 110 LYS HA 1 112 ALA H 3.500 . 3.500 3.613 3.520 3.706 0.206 4 0 "[ . 1 . 2]" 1
1020 1 110 LYS QB 1 111 TYR H 5.000 . 6.000 2.803 2.570 3.657 . 0 0 "[ . 1 . 2]" 1
1021 1 110 LYS QG 1 111 TYR H 3.500 . 4.500 3.714 2.360 4.173 . 0 0 "[ . 1 . 2]" 1
1022 1 111 TYR H 1 111 TYR HA 2.900 . 2.900 2.871 2.838 2.924 0.024 7 0 "[ . 1 . 2]" 1
1023 1 111 TYR H 1 111 TYR QB 2.900 . 3.500 2.360 2.310 2.418 . 0 0 "[ . 1 . 2]" 1
1024 1 111 TYR H 1 111 TYR QD 2.900 . 4.900 2.168 2.038 2.347 . 0 0 "[ . 1 . 2]" 1
1025 1 111 TYR H 1 111 TYR QE 5.000 . 7.000 4.226 4.078 4.415 . 0 0 "[ . 1 . 2]" 1
1026 1 111 TYR H 1 112 ALA H 2.900 . 2.900 2.643 2.507 2.713 . 0 0 "[ . 1 . 2]" 1
1027 1 111 TYR H 1 112 ALA MB 5.000 . 6.500 4.287 4.167 4.392 . 0 0 "[ . 1 . 2]" 1
1028 1 111 TYR HA 1 112 ALA H 3.500 . 3.500 3.422 3.338 3.491 . 0 0 "[ . 1 . 2]" 1
1029 1 111 TYR QB 1 112 ALA H 5.000 . 6.000 3.174 2.999 3.363 . 0 0 "[ . 1 . 2]" 1
1030 1 111 TYR QD 1 112 ALA H 5.000 . 7.000 4.436 4.382 4.550 . 0 0 "[ . 1 . 2]" 1
1031 1 112 ALA H 1 112 ALA HA 2.900 . 2.900 2.836 2.789 2.850 . 0 0 "[ . 1 . 2]" 1
1032 1 112 ALA H 1 112 ALA MB 2.900 . 4.000 2.171 2.097 2.244 . 0 0 "[ . 1 . 2]" 1
1033 1 112 ALA H 1 113 ALA H 5.000 . 5.000 4.449 2.690 4.655 . 0 0 "[ . 1 . 2]" 1
1034 1 112 ALA HA 1 113 ALA H 3.500 . 3.500 2.327 2.148 3.553 0.053 14 0 "[ . 1 . 2]" 1
1035 1 112 ALA HA 1 113 ALA MB 3.500 . 5.000 3.938 3.845 4.019 . 0 0 "[ . 1 . 2]" 1
1036 1 113 ALA H 1 113 ALA MB 2.900 . 4.000 2.393 2.105 2.943 . 0 0 "[ . 1 . 2]" 1
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