NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
370374 |
1bqz   |
4227 | cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1bqz
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 776
_Distance_constraint_stats_list.Viol_count 1324
_Distance_constraint_stats_list.Viol_total 2522.683
_Distance_constraint_stats_list.Viol_max 0.442
_Distance_constraint_stats_list.Viol_rms 0.0354
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0953
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.048 0.030 7 0 "[ . 1 . 2]"
1 3 GLN 0.236 0.152 6 0 "[ . 1 . 2]"
1 4 ASP 9.297 0.342 9 0 "[ . 1 . 2]"
1 5 TYR 9.157 0.342 9 0 "[ . 1 . 2]"
1 6 TYR 1.196 0.118 1 0 "[ . 1 . 2]"
1 7 GLU 7.241 0.305 1 0 "[ . 1 . 2]"
1 8 ILE 7.922 0.287 14 0 "[ . 1 . 2]"
1 9 LEU 12.414 0.378 4 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 VAL 8.100 0.255 3 0 "[ . 1 . 2]"
1 12 SER 5.277 0.334 16 0 "[ . 1 . 2]"
1 13 LYS 0.193 0.087 1 0 "[ . 1 . 2]"
1 14 THR 0.007 0.007 14 0 "[ . 1 . 2]"
1 15 ALA 18.437 0.442 6 0 "[ . 1 . 2]"
1 16 GLU 9.529 0.442 6 0 "[ . 1 . 2]"
1 17 GLU 2.953 0.301 14 0 "[ . 1 . 2]"
1 18 ARG 1.896 0.147 10 0 "[ . 1 . 2]"
1 19 GLU 5.281 0.257 12 0 "[ . 1 . 2]"
1 20 ILE 5.092 0.257 12 0 "[ . 1 . 2]"
1 21 ARG 2.470 0.257 12 0 "[ . 1 . 2]"
1 22 LYS 0.028 0.021 1 0 "[ . 1 . 2]"
1 23 ALA 2.305 0.177 10 0 "[ . 1 . 2]"
1 24 TYR 8.077 0.246 6 0 "[ . 1 . 2]"
1 25 LYS 0.850 0.147 19 0 "[ . 1 . 2]"
1 26 ARG 0.284 0.083 5 0 "[ . 1 . 2]"
1 27 LEU 6.193 0.205 16 0 "[ . 1 . 2]"
1 28 ALA 5.676 0.202 6 0 "[ . 1 . 2]"
1 29 MET 2.408 0.107 2 0 "[ . 1 . 2]"
1 30 LYS 1.525 0.167 15 0 "[ . 1 . 2]"
1 31 TYR 1.068 0.101 15 0 "[ . 1 . 2]"
1 32 HIS 13.239 0.260 20 0 "[ . 1 . 2]"
1 33 PRO 3.318 0.199 9 0 "[ . 1 . 2]"
1 34 ASP 3.962 0.242 1 0 "[ . 1 . 2]"
1 35 ARG 0.520 0.131 6 0 "[ . 1 . 2]"
1 36 ASN 4.441 0.260 20 0 "[ . 1 . 2]"
1 37 GLN 1.270 0.197 6 0 "[ . 1 . 2]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.650 0.197 6 0 "[ . 1 . 2]"
1 40 LYS 1.821 0.230 11 0 "[ . 1 . 2]"
1 41 GLU 1.245 0.165 19 0 "[ . 1 . 2]"
1 42 ALA 2.575 0.230 11 0 "[ . 1 . 2]"
1 43 GLU 0.705 0.165 19 0 "[ . 1 . 2]"
1 44 ALA 4.711 0.234 20 0 "[ . 1 . 2]"
1 45 LYS 1.466 0.093 6 0 "[ . 1 . 2]"
1 46 PHE 1.407 0.093 5 0 "[ . 1 . 2]"
1 47 LYS 3.553 0.234 20 0 "[ . 1 . 2]"
1 48 GLU 3.102 0.150 2 0 "[ . 1 . 2]"
1 49 ILE 5.763 0.205 16 0 "[ . 1 . 2]"
1 50 LYS 3.657 0.175 19 0 "[ . 1 . 2]"
1 51 GLU 0.042 0.042 12 0 "[ . 1 . 2]"
1 52 ALA 7.607 0.378 4 0 "[ . 1 . 2]"
1 53 TYR 3.351 0.356 9 0 "[ . 1 . 2]"
1 54 GLU 0.142 0.022 7 0 "[ . 1 . 2]"
1 55 VAL 1.769 0.157 19 0 "[ . 1 . 2]"
1 56 LEU 6.673 0.356 9 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 8.814 0.391 20 0 "[ . 1 . 2]"
1 59 SER 8.784 0.391 20 0 "[ . 1 . 2]"
1 60 GLN 0.671 0.085 2 0 "[ . 1 . 2]"
1 61 LYS 1.848 0.142 1 0 "[ . 1 . 2]"
1 62 ARG 1.938 0.150 15 0 "[ . 1 . 2]"
1 63 ALA 3.591 0.265 2 0 "[ . 1 . 2]"
1 64 ALA 2.208 0.150 15 0 "[ . 1 . 2]"
1 65 TYR 2.709 0.265 2 0 "[ . 1 . 2]"
1 66 ASP 0.213 0.041 12 0 "[ . 1 . 2]"
1 67 GLN 1.033 0.094 18 0 "[ . 1 . 2]"
1 68 TYR 0.378 0.090 9 0 "[ . 1 . 2]"
1 69 GLY 1.062 0.078 12 0 "[ . 1 . 2]"
1 70 HIS 0.959 0.078 12 0 "[ . 1 . 2]"
1 71 ALA 0.562 0.100 15 0 "[ . 1 . 2]"
1 72 ALA 0.207 0.029 17 0 "[ . 1 . 2]"
1 73 PHE 0.585 0.100 15 0 "[ . 1 . 2]"
1 74 GLU 0.023 0.023 16 0 "[ . 1 . 2]"
1 75 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 LYS HA 1 3 GLN H 2.797 . 3.000 2.553 2.212 3.030 0.030 7 0 "[ . 1 . 2]" 1
2 1 2 LYS QB 1 2 LYS QE 3.629 . 5.000 3.094 1.894 3.729 . 0 0 "[ . 1 . 2]" 1
3 1 2 LYS QB 1 3 GLN H 3.693 . 6.000 3.292 1.855 4.063 . 0 0 "[ . 1 . 2]" 1
4 1 3 GLN H 1 3 GLN QB 3.205 . 3.900 2.598 1.965 3.377 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN HA 1 3 GLN QG 2.949 . 3.900 2.356 1.926 3.302 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN HA 1 4 ASP H 2.887 . 3.000 2.495 2.204 3.036 0.036 6 0 "[ . 1 . 2]" 1
7 1 3 GLN QB 1 3 GLN QE 3.016 . 3.300 2.166 1.825 2.550 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN QB 1 4 ASP H 3.331 . 6.000 3.099 1.847 3.970 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN QB 1 8 ILE MD 3.781 . 7.000 3.336 1.648 4.901 0.152 6 0 "[ . 1 . 2]" 1
10 1 4 ASP H 1 4 ASP HB2 3.448 . 5.000 3.509 3.203 3.990 . 0 0 "[ . 1 . 2]" 1
11 1 4 ASP H 1 4 ASP HB3 3.352 . 5.000 3.289 1.986 3.917 . 0 0 "[ . 1 . 2]" 1
12 1 4 ASP H 1 8 ILE MD 3.858 . 6.000 3.800 2.741 4.872 . 0 0 "[ . 1 . 2]" 1
13 1 4 ASP H 1 8 ILE QG 5.000 . 6.000 3.242 2.291 5.380 . 0 0 "[ . 1 . 2]" 1
14 1 4 ASP HA 1 5 TYR H 3.168 . 4.000 2.188 2.074 2.739 . 0 0 "[ . 1 . 2]" 1
15 1 4 ASP HA 1 5 TYR HB3 5.000 . 5.000 5.233 5.069 5.342 0.342 9 0 "[ . 1 . 2]" 1
16 1 4 ASP HA 1 7 GLU H 4.000 . 4.000 4.151 3.925 4.277 0.277 10 0 "[ . 1 . 2]" 1
17 1 4 ASP HA 1 7 GLU QB 5.000 . 6.000 3.975 3.500 4.170 . 0 0 "[ . 1 . 2]" 1
18 1 4 ASP HB2 1 5 TYR H 3.869 . 5.000 3.900 3.001 4.327 . 0 0 "[ . 1 . 2]" 1
19 1 4 ASP HB2 1 7 GLU H 5.000 . 5.000 3.247 2.267 4.820 . 0 0 "[ . 1 . 2]" 1
20 1 4 ASP HB2 1 7 GLU QB 3.609 . 6.000 2.681 1.768 4.170 0.032 5 0 "[ . 1 . 2]" 1
21 1 4 ASP HB3 1 5 TYR H 3.544 . 5.000 4.206 3.133 4.666 . 0 0 "[ . 1 . 2]" 1
22 1 4 ASP HB3 1 7 GLU H 3.126 . 3.900 3.974 3.914 4.045 0.145 6 0 "[ . 1 . 2]" 1
23 1 5 TYR H 1 6 TYR H 3.667 . 4.000 3.295 2.111 4.033 0.033 8 0 "[ . 1 . 2]" 1
24 1 5 TYR H 1 7 GLU H 3.589 . 4.000 3.839 2.124 4.045 0.045 12 0 "[ . 1 . 2]" 1
25 1 5 TYR HA 1 5 TYR QD 3.204 . 4.300 3.420 3.137 3.643 . 0 0 "[ . 1 . 2]" 1
26 1 5 TYR HA 1 8 ILE H 3.975 . 4.000 2.724 2.323 2.954 . 0 0 "[ . 1 . 2]" 1
27 1 5 TYR HA 1 8 ILE HA 3.751 . 4.000 4.147 3.920 4.287 0.287 14 0 "[ . 1 . 2]" 1
28 1 5 TYR HA 1 8 ILE HB 3.248 . 3.300 1.739 1.673 1.812 0.127 14 0 "[ . 1 . 2]" 1
29 1 5 TYR HA 1 8 ILE MD 3.778 . 6.000 2.789 1.789 3.524 0.011 5 0 "[ . 1 . 2]" 1
30 1 5 TYR HA 1 8 ILE MG 3.651 . 6.000 3.052 2.839 3.343 . 0 0 "[ . 1 . 2]" 1
31 1 5 TYR HA 1 52 ALA MB 4.026 . 6.000 2.822 1.909 4.127 . 0 0 "[ . 1 . 2]" 1
32 1 5 TYR QB 1 52 ALA HA 3.050 . 4.300 2.093 1.811 2.394 . 0 0 "[ . 1 . 2]" 1
33 1 5 TYR HB2 1 6 TYR H 5.000 . 5.000 2.511 1.991 3.472 . 0 0 "[ . 1 . 2]" 1
34 1 5 TYR HB2 1 8 ILE MG 5.000 . 6.000 4.872 4.150 5.096 . 0 0 "[ . 1 . 2]" 1
35 1 5 TYR HB2 1 9 LEU QD 4.033 . 7.400 3.349 2.811 4.027 . 0 0 "[ . 1 . 2]" 1
36 1 5 TYR HB2 1 52 ALA MB 4.217 . 6.000 2.500 1.875 3.092 . 0 0 "[ . 1 . 2]" 1
37 1 5 TYR HB2 1 56 LEU QD 4.376 . 7.400 3.812 2.741 5.046 . 0 0 "[ . 1 . 2]" 1
38 1 5 TYR HB3 1 52 ALA HA 3.269 . 3.300 2.260 1.864 3.000 . 0 0 "[ . 1 . 2]" 1
39 1 5 TYR HB3 1 52 ALA MB 3.721 . 6.000 2.371 1.792 3.504 0.008 16 0 "[ . 1 . 2]" 1
40 1 5 TYR HB3 1 56 LEU QD 4.100 . 7.400 4.571 3.663 5.403 . 0 0 "[ . 1 . 2]" 1
41 1 5 TYR QD 1 8 ILE HA 5.000 . 7.000 6.652 6.350 6.819 . 0 0 "[ . 1 . 2]" 1
42 1 5 TYR QD 1 8 ILE MD 3.669 . 8.000 3.993 2.315 4.997 . 0 0 "[ . 1 . 2]" 1
43 1 5 TYR QD 1 52 ALA H 4.182 . 7.000 4.951 4.084 5.852 . 0 0 "[ . 1 . 2]" 1
44 1 5 TYR QD 1 52 ALA HA 3.631 . 7.000 3.381 2.507 4.176 . 0 0 "[ . 1 . 2]" 1
45 1 5 TYR QD 1 52 ALA MB 3.777 . 8.000 3.776 3.261 4.461 . 0 0 "[ . 1 . 2]" 1
46 1 5 TYR QD 1 55 VAL MG2 4.900 . 8.000 3.336 2.848 3.968 . 0 0 "[ . 1 . 2]" 1
47 1 5 TYR QD 1 56 LEU QD 5.600 . 9.400 4.793 3.386 5.995 . 0 0 "[ . 1 . 2]" 1
48 1 5 TYR QE 1 8 ILE MD 3.851 . 8.000 5.396 4.152 6.077 . 0 0 "[ . 1 . 2]" 1
49 1 5 TYR QE 1 51 GLU QG 3.755 . 8.000 5.448 4.511 6.207 . 0 0 "[ . 1 . 2]" 1
50 1 5 TYR QE 1 52 ALA HA 5.000 . 7.000 5.247 4.635 5.968 . 0 0 "[ . 1 . 2]" 1
51 1 5 TYR QE 1 55 VAL MG1 3.716 . 8.000 3.446 2.419 4.369 . 0 0 "[ . 1 . 2]" 1
52 1 5 TYR QE 1 55 VAL MG2 3.804 . 8.000 3.238 2.057 4.322 . 0 0 "[ . 1 . 2]" 1
53 1 6 TYR H 1 6 TYR QB 3.501 . 5.600 2.234 2.154 2.500 . 0 0 "[ . 1 . 2]" 1
54 1 6 TYR H 1 7 GLU H 3.193 . 4.000 2.674 2.382 2.810 . 0 0 "[ . 1 . 2]" 1
55 1 6 TYR H 1 13 LYS QB 3.593 . 6.000 5.159 4.766 5.482 . 0 0 "[ . 1 . 2]" 1
56 1 6 TYR HA 1 6 TYR QD 3.523 . 6.000 2.463 1.852 2.793 . 0 0 "[ . 1 . 2]" 1
57 1 6 TYR HA 1 7 GLU H 3.673 . 4.000 3.492 3.450 3.541 . 0 0 "[ . 1 . 2]" 1
58 1 6 TYR HA 1 9 LEU H 4.000 . 4.000 3.976 3.833 4.118 0.118 1 0 "[ . 1 . 2]" 1
59 1 6 TYR HA 1 9 LEU QD 3.963 . 7.400 2.854 2.227 3.713 . 0 0 "[ . 1 . 2]" 1
60 1 6 TYR HA 1 11 VAL H 4.000 . 4.000 3.940 3.419 4.112 0.112 15 0 "[ . 1 . 2]" 1
61 1 6 TYR HA 1 13 LYS QB 3.391 . 6.000 5.590 5.390 5.686 . 0 0 "[ . 1 . 2]" 1
62 1 6 TYR HA 1 56 LEU QD 4.177 . 7.400 3.951 2.958 5.012 . 0 0 "[ . 1 . 2]" 1
63 1 6 TYR QB 1 7 GLU H 3.564 . 6.000 2.778 2.693 2.915 . 0 0 "[ . 1 . 2]" 1
64 1 6 TYR QB 1 7 GLU HA 3.410 . 6.000 4.130 4.073 4.204 . 0 0 "[ . 1 . 2]" 1
65 1 6 TYR QB 1 11 VAL MG1 4.221 . 7.000 4.811 2.721 5.072 . 0 0 "[ . 1 . 2]" 1
66 1 6 TYR QB 1 13 LYS HA 5.000 . 6.000 1.916 1.788 3.182 0.012 5 0 "[ . 1 . 2]" 1
67 1 6 TYR QB 1 14 THR MG 3.864 . 7.000 5.127 5.072 5.176 . 0 0 "[ . 1 . 2]" 1
68 1 6 TYR QB 1 56 LEU QD 3.948 . 8.400 4.961 4.290 5.570 . 0 0 "[ . 1 . 2]" 1
69 1 6 TYR QD 1 11 VAL MG1 3.419 . 8.000 3.975 1.848 4.397 . 0 0 "[ . 1 . 2]" 1
70 1 6 TYR QD 1 56 LEU QD 4.146 . 9.400 3.753 2.787 4.444 . 0 0 "[ . 1 . 2]" 1
71 1 6 TYR QD 1 65 TYR HB2 5.000 . 7.000 4.094 3.398 5.521 . 0 0 "[ . 1 . 2]" 1
72 1 6 TYR QE 1 7 GLU H 3.326 . 7.000 6.428 5.971 6.560 . 0 0 "[ . 1 . 2]" 1
73 1 6 TYR QE 1 11 VAL MG1 3.766 . 8.000 5.018 3.306 5.379 . 0 0 "[ . 1 . 2]" 1
74 1 6 TYR QE 1 11 VAL MG2 4.013 . 8.000 4.952 4.635 5.511 . 0 0 "[ . 1 . 2]" 1
75 1 6 TYR QE 1 13 LYS HA 3.564 . 7.000 3.958 2.768 4.173 . 0 0 "[ . 1 . 2]" 1
76 1 6 TYR QE 1 13 LYS QB 3.742 . 8.000 4.392 2.482 4.769 . 0 0 "[ . 1 . 2]" 1
77 1 6 TYR QE 1 56 LEU QD 4.212 . 9.400 3.077 1.838 3.794 . 0 0 "[ . 1 . 2]" 1
78 1 6 TYR QE 1 61 LYS HA 3.767 . 7.000 5.770 5.409 6.526 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLU H 1 7 GLU HA 2.989 . 3.000 2.968 2.954 2.976 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLU H 1 8 ILE H 2.905 . 3.000 2.167 2.110 2.227 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLU H 1 9 LEU H 4.000 . 4.000 4.127 4.048 4.305 0.305 1 0 "[ . 1 . 2]" 1
82 1 7 GLU HA 1 8 ILE H 4.000 . 4.000 3.516 3.485 3.552 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLU HA 1 10 GLY H 3.505 . 4.000 3.115 2.476 3.620 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLU HA 1 11 VAL H 3.932 . 4.000 3.186 2.773 3.718 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLU QB 1 8 ILE H 3.477 . 6.000 2.738 2.625 2.934 . 0 0 "[ . 1 . 2]" 1
86 1 8 ILE H 1 8 ILE HB 3.311 . 5.000 2.279 2.054 2.363 . 0 0 "[ . 1 . 2]" 1
87 1 8 ILE H 1 8 ILE MD 3.774 . 5.000 3.518 1.960 3.942 . 0 0 "[ . 1 . 2]" 1
88 1 8 ILE H 1 8 ILE QG 3.691 . 6.000 2.299 2.030 3.296 . 0 0 "[ . 1 . 2]" 1
89 1 8 ILE H 1 8 ILE MG 3.640 . 6.000 3.667 3.540 3.708 . 0 0 "[ . 1 . 2]" 1
90 1 8 ILE H 1 9 LEU H 3.498 . 4.000 2.815 2.711 2.941 . 0 0 "[ . 1 . 2]" 1
91 1 8 ILE HA 1 8 ILE MD 3.642 . 5.600 2.652 1.843 3.709 . 0 0 "[ . 1 . 2]" 1
92 1 8 ILE HA 1 8 ILE QG 3.417 . 6.000 2.462 2.090 2.708 . 0 0 "[ . 1 . 2]" 1
93 1 8 ILE HA 1 8 ILE MG 3.511 . 6.000 2.522 2.366 2.853 . 0 0 "[ . 1 . 2]" 1
94 1 8 ILE HA 1 9 LEU H 3.703 . 4.000 3.533 3.500 3.567 . 0 0 "[ . 1 . 2]" 1
95 1 8 ILE HB 1 8 ILE MD 3.404 . 5.000 2.842 2.218 3.197 . 0 0 "[ . 1 . 2]" 1
96 1 8 ILE HB 1 9 LEU H 3.659 . 5.000 2.399 2.121 2.629 . 0 0 "[ . 1 . 2]" 1
97 1 8 ILE HB 1 11 VAL MG2 3.881 . 6.000 4.989 4.942 5.072 . 0 0 "[ . 1 . 2]" 1
98 1 8 ILE HB 1 52 ALA HA 3.682 . 5.000 5.051 4.674 5.172 0.172 10 0 "[ . 1 . 2]" 1
99 1 8 ILE HB 1 52 ALA MB 4.031 . 6.000 2.969 2.660 3.663 . 0 0 "[ . 1 . 2]" 1
100 1 8 ILE QG 1 9 LEU QD 3.778 . 8.400 4.053 3.598 4.576 . 0 0 "[ . 1 . 2]" 1
101 1 8 ILE MG 1 9 LEU H 3.726 . 6.000 2.905 2.268 3.172 . 0 0 "[ . 1 . 2]" 1
102 1 8 ILE MG 1 9 LEU HG 3.271 . 4.300 2.485 1.950 3.535 . 0 0 "[ . 1 . 2]" 1
103 1 8 ILE MG 1 49 ILE HA 3.252 . 4.300 1.710 1.656 1.964 0.144 4 0 "[ . 1 . 2]" 1
104 1 8 ILE MG 1 52 ALA MB 3.892 . 7.000 2.758 1.851 3.734 . 0 0 "[ . 1 . 2]" 1
105 1 9 LEU H 1 9 LEU HB2 3.732 . 5.000 2.411 2.113 2.680 . 0 0 "[ . 1 . 2]" 1
106 1 9 LEU H 1 9 LEU QD 3.886 . 5.000 2.305 1.721 2.984 0.079 12 0 "[ . 1 . 2]" 1
107 1 9 LEU H 1 10 GLY H 3.236 . 4.000 2.517 2.148 3.058 . 0 0 "[ . 1 . 2]" 1
108 1 9 LEU H 1 11 VAL H 3.848 . 4.000 3.417 3.140 3.665 . 0 0 "[ . 1 . 2]" 1
109 1 9 LEU H 1 20 ILE MD 3.792 . 6.000 4.711 3.825 4.940 . 0 0 "[ . 1 . 2]" 1
110 1 9 LEU H 1 52 ALA MB 4.225 . 6.000 3.889 3.602 4.198 . 0 0 "[ . 1 . 2]" 1
111 1 9 LEU HA 1 9 LEU QD 3.940 . 6.700 2.622 1.737 3.059 0.063 11 0 "[ . 1 . 2]" 1
112 1 9 LEU HA 1 10 GLY H 3.557 . 4.000 3.306 2.997 3.478 . 0 0 "[ . 1 . 2]" 1
113 1 9 LEU HA 1 24 TYR H 4.000 . 4.000 4.172 4.123 4.246 0.246 6 0 "[ . 1 . 2]" 1
114 1 9 LEU HA 1 27 LEU QD 3.631 . 7.400 3.208 2.549 3.993 . 0 0 "[ . 1 . 2]" 1
115 1 9 LEU HA 1 49 ILE QG 5.000 . 6.000 3.819 2.612 5.013 . 0 0 "[ . 1 . 2]" 1
116 1 9 LEU HB2 1 10 GLY H 5.000 . 5.000 3.393 2.797 4.094 . 0 0 "[ . 1 . 2]" 1
117 1 9 LEU HB2 1 11 VAL MG1 3.494 . 6.000 4.039 3.689 4.197 . 0 0 "[ . 1 . 2]" 1
118 1 9 LEU HB2 1 20 ILE MG 4.020 . 6.000 4.025 2.758 5.023 . 0 0 "[ . 1 . 2]" 1
119 1 9 LEU HB2 1 56 LEU QD 4.099 . 7.400 4.547 3.516 5.517 . 0 0 "[ . 1 . 2]" 1
120 1 9 LEU HB3 1 10 GLY H 5.000 . 5.000 4.265 3.770 4.587 . 0 0 "[ . 1 . 2]" 1
121 1 9 LEU HB3 1 10 GLY QA 5.000 . 6.000 4.909 4.529 5.129 . 0 0 "[ . 1 . 2]" 1
122 1 9 LEU HB3 1 20 ILE MG 3.689 . 6.000 3.726 2.793 4.528 . 0 0 "[ . 1 . 2]" 1
123 1 9 LEU QD 1 10 GLY H 4.074 . 7.400 3.939 3.383 4.482 . 0 0 "[ . 1 . 2]" 1
124 1 9 LEU QD 1 24 TYR H 3.902 . 7.400 2.713 2.080 3.259 . 0 0 "[ . 1 . 2]" 1
125 1 9 LEU QD 1 24 TYR HA 3.827 . 7.400 3.676 2.848 4.501 . 0 0 "[ . 1 . 2]" 1
126 1 9 LEU QD 1 24 TYR HB2 4.156 . 7.400 2.123 1.747 2.603 0.053 5 0 "[ . 1 . 2]" 1
127 1 9 LEU QD 1 24 TYR QB 5.100 . 8.400 2.097 1.736 2.561 0.064 5 0 "[ . 1 . 2]" 1
128 1 9 LEU QD 1 49 ILE HA 3.783 . 7.400 3.207 2.659 3.696 . 0 0 "[ . 1 . 2]" 1
129 1 9 LEU QD 1 52 ALA H 3.856 . 7.400 3.739 2.943 4.200 . 0 0 "[ . 1 . 2]" 1
130 1 9 LEU QD 1 52 ALA HA 5.000 . 7.400 3.814 3.006 4.479 . 0 0 "[ . 1 . 2]" 1
131 1 9 LEU QD 1 52 ALA MB 4.321 . 8.400 1.715 1.422 2.134 0.378 4 0 "[ . 1 . 2]" 1
132 1 9 LEU QD 1 53 TYR H 3.889 . 7.400 3.837 3.564 4.301 . 0 0 "[ . 1 . 2]" 1
133 1 9 LEU QD 1 53 TYR HA 3.824 . 7.400 4.297 3.518 4.832 . 0 0 "[ . 1 . 2]" 1
134 1 9 LEU QD 1 53 TYR QB 4.181 . 8.400 4.808 4.336 5.329 . 0 0 "[ . 1 . 2]" 1
135 1 9 LEU QD 1 53 TYR QE 3.701 . 9.400 2.226 1.662 3.757 0.138 7 0 "[ . 1 . 2]" 1
136 1 9 LEU QD 1 56 LEU HB2 4.169 . 7.400 4.613 3.875 5.332 . 0 0 "[ . 1 . 2]" 1
137 1 9 LEU QD 1 56 LEU HB3 4.181 . 7.400 4.012 3.199 4.922 . 0 0 "[ . 1 . 2]" 1
138 1 9 LEU QD 1 56 LEU QD 4.239 . 9.800 2.418 1.856 3.573 . 0 0 "[ . 1 . 2]" 1
139 1 9 LEU HG 1 11 VAL H 3.578 . 5.000 5.105 5.009 5.205 0.205 11 0 "[ . 1 . 2]" 1
140 1 10 GLY H 1 11 VAL H 3.433 . 4.000 2.422 2.020 2.874 . 0 0 "[ . 1 . 2]" 1
141 1 10 GLY H 1 11 VAL MG2 3.846 . 6.000 3.353 2.950 4.315 . 0 0 "[ . 1 . 2]" 1
142 1 10 GLY QA 1 11 VAL H 2.936 . 4.000 2.883 2.736 2.946 . 0 0 "[ . 1 . 2]" 1
143 1 11 VAL H 1 11 VAL MG1 3.417 . 6.000 3.599 3.516 3.777 . 0 0 "[ . 1 . 2]" 1
144 1 11 VAL H 1 11 VAL MG2 3.714 . 6.000 1.910 1.746 2.711 0.054 11 0 "[ . 1 . 2]" 1
145 1 11 VAL HA 1 12 SER H 3.038 . 4.000 2.517 2.265 2.637 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL HA 1 15 ALA MB 4.232 . 6.000 3.263 2.133 3.549 . 0 0 "[ . 1 . 2]" 1
147 1 11 VAL HB 1 12 SER H 3.346 . 5.000 2.692 2.300 4.556 . 0 0 "[ . 1 . 2]" 1
148 1 11 VAL HB 1 15 ALA H 3.792 . 5.000 3.885 3.683 5.117 0.117 3 0 "[ . 1 . 2]" 1
149 1 11 VAL HB 1 15 ALA MB 5.000 . 6.000 1.896 1.682 3.550 0.118 18 0 "[ . 1 . 2]" 1
150 1 11 VAL MG1 1 12 SER H 3.715 . 6.000 2.383 1.968 3.239 . 0 0 "[ . 1 . 2]" 1
151 1 11 VAL MG1 1 15 ALA H 3.869 . 6.000 3.943 2.294 4.355 . 0 0 "[ . 1 . 2]" 1
152 1 11 VAL MG1 1 15 ALA MB 3.842 . 7.000 1.636 1.545 1.765 0.255 3 0 "[ . 1 . 2]" 1
153 1 11 VAL MG1 1 20 ILE HA 3.900 . 6.000 3.349 2.194 4.950 . 0 0 "[ . 1 . 2]" 1
154 1 11 VAL MG1 1 56 LEU QD 4.244 . 8.400 4.396 2.773 5.071 . 0 0 "[ . 1 . 2]" 1
155 1 11 VAL MG2 1 12 SER H 3.775 . 6.000 3.947 3.832 4.160 . 0 0 "[ . 1 . 2]" 1
156 1 11 VAL MG2 1 15 ALA H 4.246 . 6.000 4.995 4.525 5.158 . 0 0 "[ . 1 . 2]" 1
157 1 11 VAL MG2 1 15 ALA HA 3.895 . 6.000 5.135 4.923 5.202 . 0 0 "[ . 1 . 2]" 1
158 1 11 VAL MG2 1 15 ALA MB 3.762 . 7.000 2.744 2.256 2.853 . 0 0 "[ . 1 . 2]" 1
159 1 11 VAL MG2 1 20 ILE HA 3.615 . 6.000 2.059 1.761 2.988 0.039 9 0 "[ . 1 . 2]" 1
160 1 11 VAL MG2 1 23 ALA H 3.692 . 6.000 4.167 3.679 4.617 . 0 0 "[ . 1 . 2]" 1
161 1 11 VAL MG2 1 23 ALA MB 3.771 . 7.000 2.645 1.793 3.277 0.007 2 0 "[ . 1 . 2]" 1
162 1 11 VAL MG2 1 53 TYR QE 4.019 . 8.000 5.295 4.141 6.150 . 0 0 "[ . 1 . 2]" 1
163 1 12 SER H 1 12 SER QB 3.213 . 3.900 2.314 2.001 2.904 . 0 0 "[ . 1 . 2]" 1
164 1 12 SER H 1 13 LYS H 3.552 . 5.000 4.636 4.599 4.718 . 0 0 "[ . 1 . 2]" 1
165 1 12 SER H 1 15 ALA H 4.000 . 4.000 3.467 3.336 3.675 . 0 0 "[ . 1 . 2]" 1
166 1 12 SER H 1 15 ALA MB 3.489 . 6.000 1.877 1.770 2.191 0.030 1 0 "[ . 1 . 2]" 1
167 1 12 SER HA 1 13 LYS H 2.869 . 3.000 2.327 2.273 2.422 . 0 0 "[ . 1 . 2]" 1
168 1 12 SER HA 1 13 LYS QB 3.423 . 6.000 4.460 4.276 4.911 . 0 0 "[ . 1 . 2]" 1
169 1 12 SER HA 1 14 THR H 4.000 . 4.000 3.767 3.696 3.920 . 0 0 "[ . 1 . 2]" 1
170 1 12 SER HA 1 15 ALA H 4.000 . 4.000 4.261 4.189 4.334 0.334 16 0 "[ . 1 . 2]" 1
171 1 12 SER QB 1 13 LYS H 3.263 . 4.300 3.166 2.706 3.689 . 0 0 "[ . 1 . 2]" 1
172 1 12 SER QB 1 14 THR H 3.571 . 6.000 2.477 2.030 3.200 . 0 0 "[ . 1 . 2]" 1
173 1 12 SER QB 1 15 ALA H 3.953 . 6.000 2.846 2.641 3.555 . 0 0 "[ . 1 . 2]" 1
174 1 13 LYS H 1 13 LYS QB 3.090 . 3.900 2.392 2.187 2.940 . 0 0 "[ . 1 . 2]" 1
175 1 13 LYS H 1 13 LYS QG 3.684 . 6.000 2.277 1.792 2.603 0.008 2 0 "[ . 1 . 2]" 1
176 1 13 LYS H 1 14 THR H 3.152 . 4.000 2.727 2.607 2.903 . 0 0 "[ . 1 . 2]" 1
177 1 13 LYS H 1 14 THR MG 3.946 . 6.000 3.640 3.195 4.154 . 0 0 "[ . 1 . 2]" 1
178 1 13 LYS HA 1 13 LYS QG 3.742 . 5.600 3.297 3.274 3.339 . 0 0 "[ . 1 . 2]" 1
179 1 13 LYS HA 1 14 THR H 3.907 . 4.000 3.433 3.369 3.466 . 0 0 "[ . 1 . 2]" 1
180 1 13 LYS HA 1 15 ALA H 3.804 . 4.000 3.761 3.523 4.087 0.087 1 0 "[ . 1 . 2]" 1
181 1 13 LYS QB 1 13 LYS QE 3.625 . 5.000 3.228 1.899 3.644 . 0 0 "[ . 1 . 2]" 1
182 1 13 LYS QB 1 14 THR H 3.493 . 6.000 3.593 3.521 3.667 . 0 0 "[ . 1 . 2]" 1
183 1 13 LYS QB 1 14 THR MG 3.659 . 7.000 3.302 2.866 3.700 . 0 0 "[ . 1 . 2]" 1
184 1 13 LYS QB 1 66 ASP H 3.728 . 6.000 4.887 4.452 5.335 . 0 0 "[ . 1 . 2]" 1
185 1 14 THR H 1 14 THR HG1 2.650 . 3.500 2.056 1.793 2.462 0.007 14 0 "[ . 1 . 2]" 1
186 1 14 THR H 1 14 THR MG 3.628 . 6.000 2.112 1.806 2.497 . 0 0 "[ . 1 . 2]" 1
187 1 14 THR H 1 15 ALA H 2.996 . 3.000 2.386 2.110 2.483 . 0 0 "[ . 1 . 2]" 1
188 1 14 THR H 1 15 ALA MB 3.968 . 6.000 3.885 3.772 3.976 . 0 0 "[ . 1 . 2]" 1
189 1 14 THR HA 1 14 THR HG1 2.550 . 3.300 2.517 2.402 2.689 . 0 0 "[ . 1 . 2]" 1
190 1 14 THR HA 1 14 THR MG 3.406 . 5.600 2.556 2.420 2.731 . 0 0 "[ . 1 . 2]" 1
191 1 14 THR HA 1 15 ALA H 4.000 . 4.000 3.195 3.031 3.401 . 0 0 "[ . 1 . 2]" 1
192 1 14 THR HB 1 15 ALA HA 3.550 . 6.000 5.494 5.351 5.662 . 0 0 "[ . 1 . 2]" 1
193 1 14 THR MG 1 15 ALA H 3.910 . 6.000 3.916 3.524 4.162 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA H 1 15 ALA MB 3.255 . 3.900 2.070 1.863 2.141 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA H 1 16 GLU H 3.811 . 4.000 4.146 3.016 4.334 0.334 19 0 "[ . 1 . 2]" 1
196 1 15 ALA HA 1 16 GLU H 2.875 . 3.000 3.069 2.863 3.442 0.442 6 0 "[ . 1 . 2]" 1
197 1 15 ALA HA 1 16 GLU HB2 3.509 . 5.000 3.937 3.691 4.640 . 0 0 "[ . 1 . 2]" 1
198 1 15 ALA MB 1 16 GLU H 3.436 . 6.000 1.786 1.654 2.731 0.146 10 0 "[ . 1 . 2]" 1
199 1 15 ALA MB 1 19 GLU H 4.471 . 6.000 4.500 3.807 4.814 . 0 0 "[ . 1 . 2]" 1
200 1 15 ALA MB 1 20 ILE MD 4.400 . 7.000 2.011 1.620 4.216 0.180 2 0 "[ . 1 . 2]" 1
201 1 16 GLU H 1 16 GLU HB2 3.438 . 5.000 2.847 2.540 3.191 . 0 0 "[ . 1 . 2]" 1
202 1 16 GLU H 1 16 GLU HB3 3.620 . 5.000 3.697 3.307 4.046 . 0 0 "[ . 1 . 2]" 1
203 1 16 GLU H 1 16 GLU QG 3.054 . 4.300 3.756 2.962 3.958 . 0 0 "[ . 1 . 2]" 1
204 1 16 GLU H 1 17 GLU H 4.000 . 4.000 4.128 3.954 4.301 0.301 14 0 "[ . 1 . 2]" 1
205 1 16 GLU HA 1 16 GLU QG 3.074 . 3.900 2.081 1.916 2.439 . 0 0 "[ . 1 . 2]" 1
206 1 16 GLU HA 1 17 GLU H 3.161 . 4.000 2.547 2.198 3.140 . 0 0 "[ . 1 . 2]" 1
207 1 16 GLU HB2 1 17 GLU H 5.000 . 5.000 3.843 2.437 4.511 . 0 0 "[ . 1 . 2]" 1
208 1 16 GLU HB2 1 19 GLU H 3.398 . 5.000 3.947 3.336 5.003 0.003 12 0 "[ . 1 . 2]" 1
209 1 16 GLU HB3 1 17 GLU H 5.000 . 5.000 2.734 1.797 3.570 0.003 9 0 "[ . 1 . 2]" 1
210 1 16 GLU HB3 1 18 ARG H 3.567 . 5.000 2.880 2.200 4.436 . 0 0 "[ . 1 . 2]" 1
211 1 16 GLU QG 1 17 GLU H 3.315 . 6.000 3.439 2.639 4.188 . 0 0 "[ . 1 . 2]" 1
212 1 17 GLU H 1 17 GLU QG 3.164 . 4.300 2.454 1.847 3.962 . 0 0 "[ . 1 . 2]" 1
213 1 17 GLU H 1 18 ARG H 3.788 . 4.000 2.849 2.366 3.412 . 0 0 "[ . 1 . 2]" 1
214 1 17 GLU HA 1 17 GLU QG 3.498 . 5.600 3.040 2.280 3.346 . 0 0 "[ . 1 . 2]" 1
215 1 17 GLU HA 1 18 ARG H 4.000 . 4.000 3.513 3.170 3.600 . 0 0 "[ . 1 . 2]" 1
216 1 17 GLU HA 1 20 ILE H 3.726 . 4.000 3.399 3.024 4.211 0.211 12 0 "[ . 1 . 2]" 1
217 1 17 GLU HA 1 20 ILE HB 3.276 . 3.300 2.268 1.839 3.129 . 0 0 "[ . 1 . 2]" 1
218 1 17 GLU HA 1 20 ILE MD 3.725 . 6.000 3.747 2.746 4.819 . 0 0 "[ . 1 . 2]" 1
219 1 17 GLU HA 1 21 ARG H 4.000 . 4.000 3.397 2.931 4.069 0.069 1 0 "[ . 1 . 2]" 1
220 1 17 GLU QB 1 18 ARG H 3.633 . 6.000 3.126 1.819 3.909 . 0 0 "[ . 1 . 2]" 1
221 1 17 GLU QG 1 18 ARG H 3.168 . 4.300 2.584 1.769 3.723 0.031 16 0 "[ . 1 . 2]" 1
222 1 17 GLU QG 1 57 THR MG 4.205 . 7.000 3.855 1.966 5.151 . 0 0 "[ . 1 . 2]" 1
223 1 18 ARG H 1 18 ARG HB2 3.446 . 5.000 3.544 3.518 3.581 . 0 0 "[ . 1 . 2]" 1
224 1 18 ARG H 1 18 ARG QB 3.210 . 3.900 2.592 2.416 2.782 . 0 0 "[ . 1 . 2]" 1
225 1 18 ARG H 1 18 ARG QG 3.481 . 6.000 1.872 1.756 2.110 0.044 12 0 "[ . 1 . 2]" 1
226 1 18 ARG H 1 19 GLU H 3.381 . 4.000 2.827 2.362 3.502 . 0 0 "[ . 1 . 2]" 1
227 1 18 ARG H 1 20 ILE H 4.000 . 4.000 3.709 3.202 4.069 0.069 9 0 "[ . 1 . 2]" 1
228 1 18 ARG HA 1 19 GLU H 3.550 . 4.000 3.509 3.401 3.592 . 0 0 "[ . 1 . 2]" 1
229 1 18 ARG HA 1 20 ILE H 3.352 . 4.000 4.080 3.972 4.147 0.147 10 0 "[ . 1 . 2]" 1
230 1 18 ARG HA 1 21 ARG H 3.358 . 4.000 3.758 3.214 3.998 . 0 0 "[ . 1 . 2]" 1
231 1 18 ARG HA 1 21 ARG QB 2.892 . 4.300 3.818 3.436 3.971 . 0 0 "[ . 1 . 2]" 1
232 1 18 ARG HA 1 21 ARG QD 3.660 . 6.000 3.477 2.527 4.417 . 0 0 "[ . 1 . 2]" 1
233 1 18 ARG QB 1 21 ARG H 3.358 . 6.000 5.184 4.577 5.449 . 0 0 "[ . 1 . 2]" 1
234 1 18 ARG QG 1 19 GLU H 3.573 . 6.000 1.927 1.761 2.397 0.039 5 0 "[ . 1 . 2]" 1
235 1 18 ARG QG 1 56 LEU QD 4.115 . 8.400 5.252 4.608 5.610 . 0 0 "[ . 1 . 2]" 1
236 1 19 GLU H 1 19 GLU HB2 3.212 . 3.300 3.439 3.237 3.534 0.234 7 0 "[ . 1 . 2]" 1
237 1 19 GLU H 1 19 GLU QB 3.585 . 5.600 2.821 2.388 3.033 . 0 0 "[ . 1 . 2]" 1
238 1 19 GLU H 1 19 GLU QG 3.148 . 4.300 1.806 1.712 2.042 0.088 12 0 "[ . 1 . 2]" 1
239 1 19 GLU H 1 20 ILE H 3.563 . 4.000 2.213 1.914 2.811 . 0 0 "[ . 1 . 2]" 1
240 1 19 GLU H 1 20 ILE MD 3.864 . 6.000 4.299 3.056 5.111 . 0 0 "[ . 1 . 2]" 1
241 1 19 GLU H 1 21 ARG H 4.000 . 4.000 4.087 3.904 4.257 0.257 12 0 "[ . 1 . 2]" 1
242 1 19 GLU H 1 22 LYS QB 3.226 . 4.300 4.024 3.763 4.202 . 0 0 "[ . 1 . 2]" 1
243 1 19 GLU HA 1 20 ILE H 3.424 . 4.000 3.429 3.375 3.501 . 0 0 "[ . 1 . 2]" 1
244 1 19 GLU QB 1 22 LYS QB 3.149 . 5.300 3.592 3.192 4.039 . 0 0 "[ . 1 . 2]" 1
245 1 19 GLU HB2 1 20 ILE H 3.433 . 5.000 3.730 3.422 3.975 . 0 0 "[ . 1 . 2]" 1
246 1 19 GLU HB2 1 20 ILE MD 3.819 . 6.000 4.068 2.675 4.797 . 0 0 "[ . 1 . 2]" 1
247 1 19 GLU HB3 1 20 ILE H 3.493 . 5.000 4.266 4.070 4.436 . 0 0 "[ . 1 . 2]" 1
248 1 19 GLU HB3 1 22 LYS QG 3.584 . 6.000 4.611 4.196 5.124 . 0 0 "[ . 1 . 2]" 1
249 1 19 GLU QG 1 20 ILE MG 3.745 . 7.000 4.754 4.207 5.239 . 0 0 "[ . 1 . 2]" 1
250 1 20 ILE H 1 20 ILE HB 3.419 . 5.000 2.059 1.833 2.355 . 0 0 "[ . 1 . 2]" 1
251 1 20 ILE H 1 20 ILE MD 3.825 . 5.000 3.080 2.215 3.855 . 0 0 "[ . 1 . 2]" 1
252 1 20 ILE H 1 20 ILE MG 3.659 . 6.000 3.318 2.997 3.703 . 0 0 "[ . 1 . 2]" 1
253 1 20 ILE H 1 21 ARG H 2.956 . 3.000 2.466 2.347 2.581 . 0 0 "[ . 1 . 2]" 1
254 1 20 ILE HA 1 20 ILE QG 3.323 . 6.000 2.209 1.927 2.745 . 0 0 "[ . 1 . 2]" 1
255 1 20 ILE HA 1 20 ILE MG 3.468 . 6.000 2.781 2.270 3.020 . 0 0 "[ . 1 . 2]" 1
256 1 20 ILE HA 1 21 ARG H 3.823 . 4.000 3.571 3.538 3.593 . 0 0 "[ . 1 . 2]" 1
257 1 20 ILE HA 1 23 ALA H 3.678 . 4.000 3.354 2.904 4.040 0.040 19 0 "[ . 1 . 2]" 1
258 1 20 ILE HA 1 23 ALA MB 3.774 . 6.000 2.632 1.946 3.371 . 0 0 "[ . 1 . 2]" 1
259 1 20 ILE HB 1 21 ARG H 3.630 . 5.000 2.684 2.031 3.180 . 0 0 "[ . 1 . 2]" 1
260 1 20 ILE MD 1 21 ARG H 3.408 . 6.000 4.437 4.019 4.636 . 0 0 "[ . 1 . 2]" 1
261 1 20 ILE MD 1 56 LEU QD 5.100 . 8.400 2.329 1.737 3.081 0.063 4 0 "[ . 1 . 2]" 1
262 1 20 ILE QG 1 56 LEU QD 3.725 . 8.400 1.914 1.543 2.873 0.257 12 0 "[ . 1 . 2]" 1
263 1 20 ILE MG 1 21 ARG H 3.756 . 6.000 2.394 1.823 3.108 . 0 0 "[ . 1 . 2]" 1
264 1 20 ILE MG 1 21 ARG HA 4.246 . 6.000 3.092 2.835 3.587 . 0 0 "[ . 1 . 2]" 1
265 1 20 ILE MG 1 53 TYR QE 3.544 . 8.000 1.932 1.677 2.459 0.123 5 0 "[ . 1 . 2]" 1
266 1 21 ARG H 1 21 ARG HB3 3.505 . 5.000 2.410 2.262 2.800 . 0 0 "[ . 1 . 2]" 1
267 1 21 ARG H 1 22 LYS H 3.149 . 4.000 2.486 2.196 2.615 . 0 0 "[ . 1 . 2]" 1
268 1 21 ARG HA 1 22 LYS H 3.028 . 4.000 3.472 3.413 3.526 . 0 0 "[ . 1 . 2]" 1
269 1 21 ARG HA 1 24 TYR H 3.304 . 4.000 3.857 3.074 4.079 0.079 16 0 "[ . 1 . 2]" 1
270 1 21 ARG HA 1 24 TYR HB2 3.477 . 5.000 4.108 3.301 4.717 . 0 0 "[ . 1 . 2]" 1
271 1 21 ARG HA 1 53 TYR QE 3.164 . 5.300 3.037 1.829 4.583 . 0 0 "[ . 1 . 2]" 1
272 1 21 ARG HB2 1 21 ARG QD 3.234 . 3.300 2.173 2.033 2.292 . 0 0 "[ . 1 . 2]" 1
273 1 21 ARG HB3 1 21 ARG QD 3.308 . 5.000 3.329 3.266 3.392 . 0 0 "[ . 1 . 2]" 1
274 1 21 ARG QD 1 22 LYS QD 3.147 . 5.300 3.998 3.776 4.297 . 0 0 "[ . 1 . 2]" 1
275 1 22 LYS H 1 22 LYS QB 3.031 . 3.900 2.068 2.020 2.139 . 0 0 "[ . 1 . 2]" 1
276 1 22 LYS H 1 23 ALA H 2.909 . 3.000 2.679 2.432 2.969 . 0 0 "[ . 1 . 2]" 1
277 1 22 LYS H 1 25 LYS QD 3.071 . 4.300 3.838 3.582 4.128 . 0 0 "[ . 1 . 2]" 1
278 1 22 LYS HA 1 22 LYS QG 3.331 . 5.600 2.918 2.177 3.253 . 0 0 "[ . 1 . 2]" 1
279 1 22 LYS HA 1 23 ALA H 3.462 . 4.000 3.577 3.549 3.600 . 0 0 "[ . 1 . 2]" 1
280 1 22 LYS HA 1 25 LYS H 3.601 . 4.000 3.403 3.195 4.021 0.021 1 0 "[ . 1 . 2]" 1
281 1 22 LYS QB 1 22 LYS QE 3.255 . 3.300 2.254 1.836 2.532 . 0 0 "[ . 1 . 2]" 1
282 1 22 LYS QB 1 23 ALA H 2.764 . 4.300 2.347 2.105 2.621 . 0 0 "[ . 1 . 2]" 1
283 1 22 LYS QB 1 26 ARG QD 3.446 . 7.000 4.999 3.431 5.488 . 0 0 "[ . 1 . 2]" 1
284 1 22 LYS QD 1 23 ALA H 3.204 . 4.300 3.780 3.515 3.913 . 0 0 "[ . 1 . 2]" 1
285 1 22 LYS QD 1 26 ARG HA 3.016 . 4.300 3.969 3.909 4.011 . 0 0 "[ . 1 . 2]" 1
286 1 22 LYS QD 1 26 ARG QD 3.434 . 7.000 2.386 1.824 3.195 . 0 0 "[ . 1 . 2]" 1
287 1 22 LYS QE 1 22 LYS QG 3.303 . 5.000 2.198 1.986 2.460 . 0 0 "[ . 1 . 2]" 1
288 1 22 LYS QE 1 26 ARG QD 3.159 . 5.300 3.598 1.868 4.152 . 0 0 "[ . 1 . 2]" 1
289 1 22 LYS QG 1 23 ALA H 3.519 . 6.000 3.277 2.731 4.306 . 0 0 "[ . 1 . 2]" 1
290 1 23 ALA H 1 23 ALA MB 3.338 . 5.600 2.028 1.914 2.154 . 0 0 "[ . 1 . 2]" 1
291 1 23 ALA H 1 24 TYR H 2.858 . 3.000 2.878 2.677 3.006 0.006 7 0 "[ . 1 . 2]" 1
292 1 23 ALA H 1 24 TYR HB2 3.573 . 5.000 5.111 5.005 5.177 0.177 10 0 "[ . 1 . 2]" 1
293 1 23 ALA HA 1 24 TYR H 3.379 . 4.000 3.559 3.506 3.587 . 0 0 "[ . 1 . 2]" 1
294 1 23 ALA HA 1 26 ARG H 3.645 . 4.000 3.535 3.191 3.784 . 0 0 "[ . 1 . 2]" 1
295 1 23 ALA HA 1 26 ARG QB 2.966 . 4.300 2.946 2.245 4.015 . 0 0 "[ . 1 . 2]" 1
296 1 23 ALA MB 1 24 TYR H 3.634 . 6.000 2.456 2.060 2.939 . 0 0 "[ . 1 . 2]" 1
297 1 23 ALA MB 1 27 LEU QD 4.235 . 8.400 3.161 1.946 4.149 . 0 0 "[ . 1 . 2]" 1
298 1 24 TYR H 1 24 TYR HB2 3.395 . 5.000 2.393 2.236 2.737 . 0 0 "[ . 1 . 2]" 1
299 1 24 TYR H 1 25 LYS H 2.905 . 3.000 2.431 2.261 2.618 . 0 0 "[ . 1 . 2]" 1
300 1 24 TYR H 1 25 LYS QB 3.245 . 4.300 3.807 3.723 3.947 . 0 0 "[ . 1 . 2]" 1
301 1 24 TYR H 1 28 ALA MB 4.028 . 6.000 4.969 4.832 5.085 . 0 0 "[ . 1 . 2]" 1
302 1 24 TYR HA 1 24 TYR QD 3.324 . 6.000 1.876 1.794 2.025 0.006 7 0 "[ . 1 . 2]" 1
303 1 24 TYR HA 1 25 LYS H 3.449 . 4.000 3.495 3.371 3.550 . 0 0 "[ . 1 . 2]" 1
304 1 24 TYR HA 1 27 LEU H 3.680 . 4.000 3.606 3.115 3.995 . 0 0 "[ . 1 . 2]" 1
305 1 24 TYR HA 1 27 LEU HB3 3.614 . 5.000 4.172 3.749 4.623 . 0 0 "[ . 1 . 2]" 1
306 1 24 TYR HA 1 27 LEU QD 3.962 . 7.400 1.911 1.783 2.132 0.017 20 0 "[ . 1 . 2]" 1
307 1 24 TYR HA 1 49 ILE MD 4.366 . 6.000 3.440 3.026 3.918 . 0 0 "[ . 1 . 2]" 1
308 1 24 TYR QB 1 25 LYS H 2.934 . 4.300 2.479 2.045 3.037 . 0 0 "[ . 1 . 2]" 1
309 1 24 TYR HB2 1 24 TYR QD 3.244 . 3.300 2.771 2.733 2.796 . 0 0 "[ . 1 . 2]" 1
310 1 24 TYR HB2 1 28 ALA MB 4.177 . 6.000 4.447 4.249 4.888 . 0 0 "[ . 1 . 2]" 1
311 1 24 TYR HB2 1 49 ILE MD 4.333 . 6.000 4.281 3.635 4.799 . 0 0 "[ . 1 . 2]" 1
312 1 24 TYR HB2 1 49 ILE MG 4.293 . 6.000 1.959 1.700 2.391 0.100 19 0 "[ . 1 . 2]" 1
313 1 24 TYR HB3 1 50 LYS HA 3.634 . 5.000 5.071 4.962 5.143 0.143 10 0 "[ . 1 . 2]" 1
314 1 24 TYR QD 1 25 LYS H 3.152 . 5.300 4.154 3.750 4.625 . 0 0 "[ . 1 . 2]" 1
315 1 24 TYR QD 1 25 LYS HA 3.692 . 7.000 4.683 4.323 4.980 . 0 0 "[ . 1 . 2]" 1
316 1 24 TYR QD 1 28 ALA MB 3.966 . 8.000 2.603 2.098 2.885 . 0 0 "[ . 1 . 2]" 1
317 1 24 TYR QD 1 49 ILE MD 4.900 . 8.000 2.327 1.877 2.784 . 0 0 "[ . 1 . 2]" 1
318 1 24 TYR QD 1 49 ILE MG 3.497 . 8.000 2.129 1.823 2.705 . 0 0 "[ . 1 . 2]" 1
319 1 24 TYR QD 1 50 LYS HA 3.408 . 7.000 3.665 2.855 4.206 . 0 0 "[ . 1 . 2]" 1
320 1 24 TYR QE 1 49 ILE MD 4.900 . 8.000 2.384 1.791 3.150 0.009 14 0 "[ . 1 . 2]" 1
321 1 24 TYR QE 1 50 LYS HA 3.246 . 5.300 4.029 3.136 4.676 . 0 0 "[ . 1 . 2]" 1
322 1 24 TYR QE 1 50 LYS QG 3.506 . 8.000 3.190 1.905 4.730 . 0 0 "[ . 1 . 2]" 1
323 1 25 LYS H 1 25 LYS QB 3.081 . 3.900 1.857 1.821 1.918 . 0 0 "[ . 1 . 2]" 1
324 1 25 LYS H 1 25 LYS QD 3.078 . 3.300 3.021 2.794 3.106 . 0 0 "[ . 1 . 2]" 1
325 1 25 LYS H 1 26 ARG H 3.089 . 4.000 2.651 2.257 3.002 . 0 0 "[ . 1 . 2]" 1
326 1 25 LYS H 1 28 ALA MB 3.735 . 6.000 3.971 3.708 4.326 . 0 0 "[ . 1 . 2]" 1
327 1 25 LYS HA 1 25 LYS QD 3.098 . 4.300 3.350 2.558 3.892 . 0 0 "[ . 1 . 2]" 1
328 1 25 LYS HA 1 25 LYS QG 3.534 . 5.600 2.187 1.914 3.006 . 0 0 "[ . 1 . 2]" 1
329 1 25 LYS HA 1 26 ARG H 3.796 . 4.000 3.534 3.387 3.595 . 0 0 "[ . 1 . 2]" 1
330 1 25 LYS HA 1 26 ARG QG 3.550 . 6.000 5.223 4.744 5.453 . 0 0 "[ . 1 . 2]" 1
331 1 25 LYS HA 1 28 ALA H 3.717 . 4.000 3.916 3.345 4.147 0.147 19 0 "[ . 1 . 2]" 1
332 1 25 LYS HA 1 28 ALA MB 3.798 . 6.000 2.703 1.775 3.524 0.025 3 0 "[ . 1 . 2]" 1
333 1 25 LYS HA 1 29 MET H 4.000 . 4.000 3.452 2.985 3.962 . 0 0 "[ . 1 . 2]" 1
334 1 25 LYS QB 1 26 ARG H 3.334 . 6.000 2.697 2.256 3.374 . 0 0 "[ . 1 . 2]" 1
335 1 25 LYS QB 1 27 LEU QD 3.957 . 8.400 5.303 4.986 5.505 . 0 0 "[ . 1 . 2]" 1
336 1 25 LYS QG 1 26 ARG H 3.536 . 6.000 4.124 3.328 4.485 . 0 0 "[ . 1 . 2]" 1
337 1 26 ARG H 1 26 ARG QG 3.494 . 6.000 2.666 1.793 3.245 0.007 20 0 "[ . 1 . 2]" 1
338 1 26 ARG H 1 28 ALA H 3.987 . 4.000 3.772 3.349 4.048 0.048 20 0 "[ . 1 . 2]" 1
339 1 26 ARG HA 1 26 ARG QD 2.968 . 4.300 3.504 2.049 4.028 . 0 0 "[ . 1 . 2]" 1
340 1 26 ARG HA 1 26 ARG QG 3.376 . 5.600 2.297 1.932 3.344 . 0 0 "[ . 1 . 2]" 1
341 1 26 ARG HA 1 29 MET H 3.582 . 4.000 3.923 3.704 4.083 0.083 5 0 "[ . 1 . 2]" 1
342 1 26 ARG HA 1 30 LYS QD 3.265 . 4.300 3.681 3.362 3.899 . 0 0 "[ . 1 . 2]" 1
343 1 26 ARG QB 1 26 ARG QD 2.782 . 3.300 2.171 1.869 2.424 . 0 0 "[ . 1 . 2]" 1
344 1 27 LEU H 1 27 LEU QD 3.647 . 5.000 2.919 1.822 3.178 . 0 0 "[ . 1 . 2]" 1
345 1 27 LEU H 1 28 ALA H 3.240 . 4.000 2.398 2.319 2.490 . 0 0 "[ . 1 . 2]" 1
346 1 27 LEU H 1 28 ALA HA 4.000 . 5.000 5.100 5.034 5.163 0.163 15 0 "[ . 1 . 2]" 1
347 1 27 LEU H 1 28 ALA MB 4.015 . 6.000 3.964 3.856 4.105 . 0 0 "[ . 1 . 2]" 1
348 1 27 LEU H 1 29 MET H 3.819 . 4.000 4.056 3.999 4.107 0.107 2 0 "[ . 1 . 2]" 1
349 1 27 LEU HA 1 27 LEU QD 3.255 . 5.000 3.209 3.064 3.380 . 0 0 "[ . 1 . 2]" 1
350 1 27 LEU HA 1 28 ALA H 3.542 . 4.000 3.515 3.469 3.554 . 0 0 "[ . 1 . 2]" 1
351 1 27 LEU HA 1 28 ALA MB 4.028 . 6.000 4.908 4.881 4.926 . 0 0 "[ . 1 . 2]" 1
352 1 27 LEU HB2 1 28 ALA H 3.522 . 5.000 3.979 3.842 4.095 . 0 0 "[ . 1 . 2]" 1
353 1 27 LEU HB2 1 28 ALA MB 3.922 . 6.000 4.973 4.894 5.057 . 0 0 "[ . 1 . 2]" 1
354 1 27 LEU HB3 1 28 ALA MB 5.000 . 6.000 4.924 4.721 5.020 . 0 0 "[ . 1 . 2]" 1
355 1 27 LEU QD 1 28 ALA H 3.743 . 7.400 2.644 1.836 2.959 . 0 0 "[ . 1 . 2]" 1
356 1 27 LEU QD 1 28 ALA HA 3.695 . 7.400 2.396 2.043 3.280 . 0 0 "[ . 1 . 2]" 1
357 1 27 LEU QD 1 30 LYS QB 3.585 . 8.400 4.239 3.876 4.887 . 0 0 "[ . 1 . 2]" 1
358 1 27 LEU QD 1 30 LYS QD 3.841 . 8.400 5.075 4.509 5.544 . 0 0 "[ . 1 . 2]" 1
359 1 27 LEU QD 1 31 TYR QE 3.554 . 9.400 3.784 2.918 4.353 . 0 0 "[ . 1 . 2]" 1
360 1 27 LEU QD 1 46 PHE QD 3.673 . 9.400 3.548 2.626 5.019 . 0 0 "[ . 1 . 2]" 1
361 1 27 LEU QD 1 49 ILE MD 4.089 . 8.400 1.778 1.595 2.252 0.205 16 0 "[ . 1 . 2]" 1
362 1 27 LEU HG 1 28 ALA H 3.252 . 3.300 1.828 1.758 2.389 0.042 13 0 "[ . 1 . 2]" 1
363 1 27 LEU HG 1 30 LYS H 4.305 . 5.000 5.076 5.005 5.167 0.167 15 0 "[ . 1 . 2]" 1
364 1 28 ALA H 1 28 ALA MB 3.434 . 5.600 2.099 2.033 2.144 . 0 0 "[ . 1 . 2]" 1
365 1 28 ALA H 1 29 MET H 3.050 . 4.000 2.582 2.413 2.780 . 0 0 "[ . 1 . 2]" 1
366 1 28 ALA H 1 29 MET QG 5.000 . 6.000 3.865 3.607 4.247 . 0 0 "[ . 1 . 2]" 1
367 1 28 ALA H 1 49 ILE MD 3.900 . 6.000 4.868 4.657 4.951 . 0 0 "[ . 1 . 2]" 1
368 1 28 ALA HA 1 29 MET H 3.332 . 4.000 3.575 3.549 3.601 . 0 0 "[ . 1 . 2]" 1
369 1 28 ALA HA 1 30 LYS QB 5.000 . 6.000 4.770 4.479 5.025 . 0 0 "[ . 1 . 2]" 1
370 1 28 ALA HA 1 31 TYR H 4.000 . 4.000 2.823 2.542 3.155 . 0 0 "[ . 1 . 2]" 1
371 1 28 ALA HA 1 31 TYR HB2 5.000 . 5.000 2.227 1.901 2.757 . 0 0 "[ . 1 . 2]" 1
372 1 28 ALA HA 1 32 HIS H 4.000 . 4.000 4.128 4.058 4.202 0.202 6 0 "[ . 1 . 2]" 1
373 1 28 ALA HA 1 49 ILE MD 3.964 . 6.000 4.818 4.446 5.035 . 0 0 "[ . 1 . 2]" 1
374 1 28 ALA MB 1 29 MET H 3.511 . 6.000 2.459 2.334 2.699 . 0 0 "[ . 1 . 2]" 1
375 1 28 ALA MB 1 29 MET QB 4.152 . 7.000 3.829 3.665 4.099 . 0 0 "[ . 1 . 2]" 1
376 1 28 ALA MB 1 31 TYR HB2 4.193 . 6.000 3.944 3.673 4.365 . 0 0 "[ . 1 . 2]" 1
377 1 28 ALA MB 1 32 HIS H 4.147 . 6.000 4.781 4.565 4.898 . 0 0 "[ . 1 . 2]" 1
378 1 29 MET H 1 29 MET QB 3.302 . 5.600 2.317 2.222 2.397 . 0 0 "[ . 1 . 2]" 1
379 1 29 MET H 1 29 MET QG 3.452 . 6.000 2.230 2.016 2.467 . 0 0 "[ . 1 . 2]" 1
380 1 29 MET H 1 30 LYS HB2 3.314 . 5.000 4.291 4.074 4.531 . 0 0 "[ . 1 . 2]" 1
381 1 29 MET HA 1 29 MET QG 3.490 . 5.600 3.325 3.281 3.424 . 0 0 "[ . 1 . 2]" 1
382 1 29 MET HA 1 30 LYS H 3.389 . 4.000 3.478 3.457 3.518 . 0 0 "[ . 1 . 2]" 1
383 1 29 MET HA 1 31 TYR H 4.000 . 4.000 4.052 3.994 4.101 0.101 15 0 "[ . 1 . 2]" 1
384 1 29 MET HA 1 32 HIS QB 3.431 . 6.000 2.561 2.301 2.957 . 0 0 "[ . 1 . 2]" 1
385 1 29 MET QB 1 30 LYS H 3.297 . 4.300 3.496 3.426 3.559 . 0 0 "[ . 1 . 2]" 1
386 1 30 LYS H 1 30 LYS QB 3.298 . 3.900 2.056 1.993 2.203 . 0 0 "[ . 1 . 2]" 1
387 1 30 LYS H 1 31 TYR H 3.285 . 4.000 2.262 2.166 2.335 . 0 0 "[ . 1 . 2]" 1
388 1 30 LYS HA 1 30 LYS QG 3.615 . 5.600 2.086 1.931 2.359 . 0 0 "[ . 1 . 2]" 1
389 1 30 LYS HA 1 31 TYR H 3.614 . 4.000 3.460 3.440 3.482 . 0 0 "[ . 1 . 2]" 1
390 1 30 LYS QB 1 31 TYR H 3.579 . 6.000 3.010 2.888 3.113 . 0 0 "[ . 1 . 2]" 1
391 1 30 LYS QB 1 31 TYR HA 3.626 . 6.000 4.117 4.064 4.174 . 0 0 "[ . 1 . 2]" 1
392 1 30 LYS QB 1 31 TYR HB2 3.782 . 6.000 4.037 3.791 4.233 . 0 0 "[ . 1 . 2]" 1
393 1 30 LYS QB 1 31 TYR HB3 5.000 . 6.000 5.316 5.196 5.418 . 0 0 "[ . 1 . 2]" 1
394 1 30 LYS HB2 1 31 TYR H 3.310 . 5.000 3.235 2.991 3.421 . 0 0 "[ . 1 . 2]" 1
395 1 31 TYR H 1 31 TYR HB2 3.587 . 5.000 2.200 2.131 2.304 . 0 0 "[ . 1 . 2]" 1
396 1 31 TYR H 1 31 TYR HB3 3.647 . 5.000 3.420 3.326 3.530 . 0 0 "[ . 1 . 2]" 1
397 1 31 TYR H 1 32 HIS H 3.964 . 4.000 2.278 2.128 2.466 . 0 0 "[ . 1 . 2]" 1
398 1 31 TYR HA 1 31 TYR QD 3.260 . 4.300 2.008 1.784 2.424 0.016 14 0 "[ . 1 . 2]" 1
399 1 31 TYR HA 1 31 TYR QE 3.808 . 5.600 4.035 3.965 4.166 . 0 0 "[ . 1 . 2]" 1
400 1 31 TYR HA 1 32 HIS H 3.533 . 4.000 3.153 2.976 3.264 . 0 0 "[ . 1 . 2]" 1
401 1 31 TYR HA 1 36 ASN QD 3.699 . 5.000 4.099 3.374 4.517 . 0 0 "[ . 1 . 2]" 1
402 1 31 TYR HB2 1 32 HIS H 3.792 . 5.000 3.734 3.529 3.990 . 0 0 "[ . 1 . 2]" 1
403 1 31 TYR HB3 1 32 HIS H 3.927 . 5.000 4.016 3.919 4.099 . 0 0 "[ . 1 . 2]" 1
404 1 31 TYR HB3 1 32 HIS QB 3.607 . 6.000 5.356 5.264 5.445 . 0 0 "[ . 1 . 2]" 1
405 1 31 TYR QD 1 49 ILE MD 4.900 . 8.000 4.719 4.303 5.325 . 0 0 "[ . 1 . 2]" 1
406 1 31 TYR QE 1 34 ASP QB 3.642 . 8.000 6.059 5.555 6.384 . 0 0 "[ . 1 . 2]" 1
407 1 31 TYR QE 1 35 ARG QD 3.249 . 6.300 4.343 3.943 4.967 . 0 0 "[ . 1 . 2]" 1
408 1 31 TYR QE 1 49 ILE MD 3.920 . 8.000 5.507 5.075 5.835 . 0 0 "[ . 1 . 2]" 1
409 1 32 HIS H 1 32 HIS QB 3.413 . 5.600 2.113 1.997 2.187 . 0 0 "[ . 1 . 2]" 1
410 1 32 HIS H 1 33 PRO QD 5.000 . 5.000 4.112 4.065 4.185 . 0 0 "[ . 1 . 2]" 1
411 1 32 HIS HA 1 33 PRO QD 3.095 . 3.300 2.897 2.798 2.949 . 0 0 "[ . 1 . 2]" 1
412 1 32 HIS HA 1 33 PRO QG 3.347 . 5.000 4.748 4.669 4.794 . 0 0 "[ . 1 . 2]" 1
413 1 32 HIS HA 1 34 ASP H 4.000 . 4.000 4.195 4.141 4.242 0.242 1 0 "[ . 1 . 2]" 1
414 1 32 HIS HA 1 36 ASN H 3.861 . 5.000 5.174 5.125 5.260 0.260 20 0 "[ . 1 . 2]" 1
415 1 32 HIS QB 1 33 PRO QD 3.704 . 6.000 1.635 1.601 1.655 0.199 9 0 "[ . 1 . 2]" 1
416 1 33 PRO HA 1 33 PRO QD 3.501 . 5.000 3.372 3.309 3.392 . 0 0 "[ . 1 . 2]" 1
417 1 33 PRO HA 1 33 PRO QG 3.560 . 5.000 3.489 3.474 3.494 . 0 0 "[ . 1 . 2]" 1
418 1 33 PRO HA 1 35 ARG H 3.314 . 4.000 3.910 3.688 4.017 0.017 2 0 "[ . 1 . 2]" 1
419 1 33 PRO QD 1 34 ASP H 5.000 . 5.000 3.977 3.855 4.127 . 0 0 "[ . 1 . 2]" 1
420 1 33 PRO QG 1 34 ASP H 3.524 . 5.000 4.421 4.349 4.464 . 0 0 "[ . 1 . 2]" 1
421 1 34 ASP H 1 35 ARG H 4.000 . 4.000 1.960 1.745 2.074 0.055 6 0 "[ . 1 . 2]" 1
422 1 34 ASP H 1 35 ARG QG 3.554 . 6.000 3.373 2.900 3.536 . 0 0 "[ . 1 . 2]" 1
423 1 34 ASP H 1 37 GLN QG 3.090 . 4.300 3.875 3.694 3.988 . 0 0 "[ . 1 . 2]" 1
424 1 34 ASP HA 1 35 ARG H 3.277 . 4.000 3.530 3.510 3.545 . 0 0 "[ . 1 . 2]" 1
425 1 34 ASP QB 1 35 ARG H 3.300 . 4.300 3.036 2.824 3.400 . 0 0 "[ . 1 . 2]" 1
426 1 34 ASP QB 1 35 ARG QG 3.430 . 7.000 3.577 3.386 4.298 . 0 0 "[ . 1 . 2]" 1
427 1 35 ARG H 1 35 ARG QB 3.552 . 5.600 3.004 2.788 3.059 . 0 0 "[ . 1 . 2]" 1
428 1 35 ARG H 1 35 ARG QD 3.250 . 3.300 3.135 3.082 3.205 . 0 0 "[ . 1 . 2]" 1
429 1 35 ARG H 1 35 ARG QG 3.577 . 6.000 1.850 1.703 1.917 0.097 6 0 "[ . 1 . 2]" 1
430 1 35 ARG H 1 36 ASN HB3 3.811 . 5.000 4.908 4.722 5.131 0.131 6 0 "[ . 1 . 2]" 1
431 1 35 ARG HA 1 35 ARG QG 3.121 . 3.900 3.412 3.389 3.451 . 0 0 "[ . 1 . 2]" 1
432 1 35 ARG HA 1 36 ASN H 3.166 . 4.000 3.546 3.474 3.564 . 0 0 "[ . 1 . 2]" 1
433 1 35 ARG HA 1 37 GLN H 4.000 . 4.000 3.556 3.353 3.728 . 0 0 "[ . 1 . 2]" 1
434 1 35 ARG QB 1 35 ARG QD . . 3.300 2.137 2.111 2.167 . 0 0 "[ . 1 . 2]" 1
435 1 35 ARG QB 1 36 ASN H 3.630 . 6.000 3.510 3.475 3.535 . 0 0 "[ . 1 . 2]" 1
436 1 35 ARG QB 1 36 ASN HA 3.692 . 6.000 4.488 4.439 4.552 . 0 0 "[ . 1 . 2]" 1
437 1 35 ARG QD 1 36 ASN HA 3.794 . 6.000 2.266 2.193 2.335 . 0 0 "[ . 1 . 2]" 1
438 1 35 ARG QD 1 36 ASN HB3 3.126 . 5.300 4.041 3.923 4.135 . 0 0 "[ . 1 . 2]" 1
439 1 35 ARG QD 1 38 GLY H 3.270 . 4.300 3.806 3.722 3.905 . 0 0 "[ . 1 . 2]" 1
440 1 35 ARG QG 1 36 ASN HB2 3.572 . 6.000 3.943 3.741 4.515 . 0 0 "[ . 1 . 2]" 1
441 1 35 ARG QG 1 36 ASN HB3 3.353 . 6.000 5.225 5.172 5.298 . 0 0 "[ . 1 . 2]" 1
442 1 35 ARG QG 1 36 ASN QD 3.610 . 6.000 3.944 2.322 4.718 . 0 0 "[ . 1 . 2]" 1
443 1 36 ASN H 1 36 ASN HB2 3.606 . 5.000 2.087 1.956 2.500 . 0 0 "[ . 1 . 2]" 1
444 1 36 ASN H 1 36 ASN HB3 3.539 . 5.000 3.401 3.295 3.540 . 0 0 "[ . 1 . 2]" 1
445 1 36 ASN H 1 37 GLN H 3.659 . 4.000 2.847 2.791 2.927 . 0 0 "[ . 1 . 2]" 1
446 1 36 ASN HA 1 36 ASN QD 3.615 . 5.000 3.380 1.827 3.928 . 0 0 "[ . 1 . 2]" 1
447 1 36 ASN HA 1 37 GLN H 3.286 . 4.000 3.499 3.451 3.527 . 0 0 "[ . 1 . 2]" 1
448 1 36 ASN HB2 1 37 GLN HA 3.736 . 5.000 4.884 4.313 5.096 0.096 17 0 "[ . 1 . 2]" 1
449 1 36 ASN HB3 1 37 GLN H 3.987 . 5.000 3.439 3.036 3.772 . 0 0 "[ . 1 . 2]" 1
450 1 37 GLN H 1 37 GLN HB2 3.546 . 5.000 2.600 2.421 2.715 . 0 0 "[ . 1 . 2]" 1
451 1 37 GLN H 1 37 GLN QG 3.004 . 4.300 1.943 1.842 2.079 . 0 0 "[ . 1 . 2]" 1
452 1 37 GLN H 1 38 GLY H 4.000 . 4.000 2.687 2.559 2.930 . 0 0 "[ . 1 . 2]" 1
453 1 37 GLN HA 1 37 GLN QG 3.168 . 3.900 2.529 2.384 2.784 . 0 0 "[ . 1 . 2]" 1
454 1 37 GLN HA 1 38 GLY H 3.100 . 4.000 3.382 3.211 3.526 . 0 0 "[ . 1 . 2]" 1
455 1 37 GLN HA 1 39 ASP H 3.515 . 4.000 3.980 3.635 4.197 0.197 6 0 "[ . 1 . 2]" 1
456 1 37 GLN HB2 1 38 GLY H 4.229 . 5.000 3.277 2.817 3.764 . 0 0 "[ . 1 . 2]" 1
457 1 37 GLN HB3 1 37 GLN QG 2.511 . 2.700 2.531 2.470 2.547 . 0 0 "[ . 1 . 2]" 1
458 1 37 GLN HB3 1 38 GLY H 4.354 . 5.000 4.267 3.962 4.556 . 0 0 "[ . 1 . 2]" 1
459 1 38 GLY H 1 39 ASP H 3.524 . 4.000 2.481 1.950 3.713 . 0 0 "[ . 1 . 2]" 1
460 1 38 GLY QA 1 39 ASP H 3.302 . 5.000 2.813 2.515 2.939 . 0 0 "[ . 1 . 2]" 1
461 1 39 ASP H 1 39 ASP QB 3.443 . 5.600 2.623 1.942 3.102 . 0 0 "[ . 1 . 2]" 1
462 1 39 ASP HA 1 40 LYS H 2.995 . 4.000 2.530 2.202 3.582 . 0 0 "[ . 1 . 2]" 1
463 1 39 ASP HA 1 40 LYS QB 3.461 . 6.000 4.346 3.992 5.117 . 0 0 "[ . 1 . 2]" 1
464 1 39 ASP QB 1 40 LYS H 5.000 . 6.000 3.579 1.843 4.049 . 0 0 "[ . 1 . 2]" 1
465 1 39 ASP QB 1 42 ALA H 3.799 . 6.000 4.198 2.344 5.455 . 0 0 "[ . 1 . 2]" 1
466 1 39 ASP QB 1 42 ALA MB 4.182 . 7.000 3.598 1.925 5.127 . 0 0 "[ . 1 . 2]" 1
467 1 40 LYS H 1 40 LYS QG 3.631 . 6.000 3.539 2.441 4.019 . 0 0 "[ . 1 . 2]" 1
468 1 40 LYS H 1 41 GLU H 3.404 . 4.000 3.026 2.200 4.117 0.117 18 0 "[ . 1 . 2]" 1
469 1 40 LYS H 1 42 ALA H 4.000 . 4.000 4.023 3.394 4.230 0.230 11 0 "[ . 1 . 2]" 1
470 1 40 LYS HA 1 40 LYS QD 3.190 . 4.300 3.309 1.864 3.958 . 0 0 "[ . 1 . 2]" 1
471 1 40 LYS HA 1 40 LYS QG 3.157 . 3.900 2.200 1.913 2.448 . 0 0 "[ . 1 . 2]" 1
472 1 40 LYS HA 1 41 GLU H 3.273 . 4.000 3.078 2.237 3.580 . 0 0 "[ . 1 . 2]" 1
473 1 40 LYS HA 1 41 GLU QG 2.940 . 4.300 3.936 3.630 4.196 . 0 0 "[ . 1 . 2]" 1
474 1 40 LYS QB 1 41 GLU H 2.952 . 4.300 3.129 1.798 3.926 0.002 11 0 "[ . 1 . 2]" 1
475 1 40 LYS QB 1 42 ALA H 3.408 . 6.000 4.274 3.065 5.065 . 0 0 "[ . 1 . 2]" 1
476 1 40 LYS QB 1 43 GLU H 3.610 . 6.000 4.924 3.988 5.587 . 0 0 "[ . 1 . 2]" 1
477 1 40 LYS QG 1 41 GLU H 3.424 . 6.000 4.100 2.014 4.869 . 0 0 "[ . 1 . 2]" 1
478 1 41 GLU H 1 41 GLU QB 3.041 . 3.900 2.989 2.407 3.452 . 0 0 "[ . 1 . 2]" 1
479 1 41 GLU H 1 41 GLU QG 3.110 . 4.300 2.349 1.745 3.476 0.055 20 0 "[ . 1 . 2]" 1
480 1 41 GLU H 1 42 ALA H 3.158 . 4.000 2.686 1.871 3.765 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLU H 1 43 GLU H 3.684 . 4.000 3.232 2.133 4.165 0.165 19 0 "[ . 1 . 2]" 1
482 1 41 GLU HA 1 42 ALA H 3.265 . 4.000 3.532 3.029 3.623 . 0 0 "[ . 1 . 2]" 1
483 1 41 GLU HA 1 44 ALA MB 3.603 . 6.000 4.413 3.605 4.863 . 0 0 "[ . 1 . 2]" 1
484 1 41 GLU QB 1 42 ALA H 2.942 . 4.300 3.180 2.464 3.983 . 0 0 "[ . 1 . 2]" 1
485 1 41 GLU QG 1 42 ALA H 3.756 . 6.000 1.897 1.750 3.418 0.050 2 0 "[ . 1 . 2]" 1
486 1 41 GLU QG 1 43 GLU H 3.095 . 4.300 3.872 3.584 4.089 . 0 0 "[ . 1 . 2]" 1
487 1 42 ALA H 1 42 ALA MB 3.201 . 3.900 2.076 1.913 2.210 . 0 0 "[ . 1 . 2]" 1
488 1 42 ALA HA 1 45 LYS HB3 3.300 . 3.300 3.304 2.855 3.393 0.093 6 0 "[ . 1 . 2]" 1
489 1 42 ALA HA 1 46 PHE QD 3.373 . 7.000 5.287 4.272 5.905 . 0 0 "[ . 1 . 2]" 1
490 1 42 ALA MB 1 43 GLU H 3.224 . 4.300 2.938 2.798 3.102 . 0 0 "[ . 1 . 2]" 1
491 1 43 GLU H 1 43 GLU QB 2.980 . 3.900 2.194 2.141 2.281 . 0 0 "[ . 1 . 2]" 1
492 1 43 GLU H 1 44 ALA H 3.381 . 4.000 2.952 2.521 3.237 . 0 0 "[ . 1 . 2]" 1
493 1 43 GLU QB 1 44 ALA H 2.841 . 4.300 2.193 1.860 3.263 . 0 0 "[ . 1 . 2]" 1
494 1 43 GLU QB 1 44 ALA HA 2.882 . 4.300 3.839 3.746 4.165 . 0 0 "[ . 1 . 2]" 1
495 1 43 GLU QB 1 45 LYS H 3.487 . 6.000 4.863 4.419 5.327 . 0 0 "[ . 1 . 2]" 1
496 1 43 GLU QG 1 44 ALA H 3.319 . 6.000 3.319 1.734 3.825 0.066 5 0 "[ . 1 . 2]" 1
497 1 43 GLU QG 1 46 PHE H 3.987 . 6.000 4.484 4.116 4.767 . 0 0 "[ . 1 . 2]" 1
498 1 43 GLU QG 1 47 LYS QD 3.036 . 5.300 4.054 3.876 4.330 . 0 0 "[ . 1 . 2]" 1
499 1 44 ALA H 1 45 LYS H 2.639 . 3.000 3.022 2.767 3.083 0.083 13 0 "[ . 1 . 2]" 1
500 1 44 ALA H 1 46 PHE H 4.000 . 4.000 3.956 3.736 4.082 0.082 1 0 "[ . 1 . 2]" 1
501 1 44 ALA HA 1 45 LYS H 2.867 . 4.000 3.595 3.577 3.605 . 0 0 "[ . 1 . 2]" 1
502 1 44 ALA HA 1 46 PHE H 3.414 . 4.000 3.792 3.592 3.945 . 0 0 "[ . 1 . 2]" 1
503 1 44 ALA HA 1 47 LYS H 2.949 . 3.000 3.178 3.099 3.234 0.234 20 0 "[ . 1 . 2]" 1
504 1 45 LYS H 1 45 LYS HB2 3.390 . 5.000 2.560 2.491 2.652 . 0 0 "[ . 1 . 2]" 1
505 1 45 LYS H 1 45 LYS HB3 3.535 . 5.000 2.435 2.338 2.515 . 0 0 "[ . 1 . 2]" 1
506 1 45 LYS H 1 45 LYS QG 3.437 . 6.000 3.937 3.903 3.950 . 0 0 "[ . 1 . 2]" 1
507 1 45 LYS H 1 46 PHE H 2.902 . 3.000 2.812 2.681 2.870 . 0 0 "[ . 1 . 2]" 1
508 1 45 LYS HA 1 45 LYS QG 3.395 . 5.600 2.451 2.354 2.544 . 0 0 "[ . 1 . 2]" 1
509 1 45 LYS HA 1 46 PHE H 3.554 . 4.000 3.506 3.467 3.530 . 0 0 "[ . 1 . 2]" 1
510 1 45 LYS HA 1 48 GLU H 3.095 . 4.000 3.469 3.391 3.546 . 0 0 "[ . 1 . 2]" 1
511 1 45 LYS HB2 1 46 PHE H 3.700 . 5.000 4.099 4.011 4.222 . 0 0 "[ . 1 . 2]" 1
512 1 45 LYS HB3 1 46 PHE H 3.803 . 5.000 2.878 2.766 3.077 . 0 0 "[ . 1 . 2]" 1
513 1 45 LYS QE 1 45 LYS QG 3.311 . 5.000 2.078 1.913 2.467 . 0 0 "[ . 1 . 2]" 1
514 1 45 LYS QG 1 46 PHE H 3.193 . 4.300 3.580 3.449 3.674 . 0 0 "[ . 1 . 2]" 1
515 1 45 LYS QG 1 47 LYS H 3.643 . 6.000 5.360 5.287 5.440 . 0 0 "[ . 1 . 2]" 1
516 1 45 LYS QG 1 49 ILE HA 3.660 . 6.000 5.460 5.342 5.549 . 0 0 "[ . 1 . 2]" 1
517 1 45 LYS QG 1 49 ILE QG 3.467 . 7.000 3.152 2.961 3.298 . 0 0 "[ . 1 . 2]" 1
518 1 46 PHE H 1 46 PHE HB2 3.471 . 5.000 2.351 1.931 2.536 . 0 0 "[ . 1 . 2]" 1
519 1 46 PHE H 1 46 PHE HB3 3.411 . 5.000 3.469 3.156 3.564 . 0 0 "[ . 1 . 2]" 1
520 1 46 PHE H 1 47 LYS H 2.909 . 3.000 2.702 2.569 2.807 . 0 0 "[ . 1 . 2]" 1
521 1 46 PHE HA 1 46 PHE QD 3.286 . 4.300 1.987 1.885 2.424 . 0 0 "[ . 1 . 2]" 1
522 1 46 PHE HA 1 47 LYS H 3.020 . 4.000 3.608 3.592 3.630 . 0 0 "[ . 1 . 2]" 1
523 1 46 PHE HA 1 49 ILE H 3.680 . 4.000 4.043 3.933 4.093 0.093 5 0 "[ . 1 . 2]" 1
524 1 46 PHE HA 1 49 ILE HB 3.471 . 5.000 3.848 3.347 4.151 . 0 0 "[ . 1 . 2]" 1
525 1 46 PHE HA 1 49 ILE MD 3.651 . 6.000 2.035 1.749 2.785 0.051 6 0 "[ . 1 . 2]" 1
526 1 46 PHE HA 1 49 ILE QG 3.647 . 6.000 3.909 3.593 4.595 . 0 0 "[ . 1 . 2]" 1
527 1 46 PHE HB2 1 47 LYS H 3.656 . 5.000 2.519 2.262 3.047 . 0 0 "[ . 1 . 2]" 1
528 1 46 PHE HB3 1 46 PHE QD 3.280 . 3.300 2.676 2.290 2.780 . 0 0 "[ . 1 . 2]" 1
529 1 46 PHE HB3 1 47 LYS H 3.658 . 5.000 3.359 2.528 3.688 . 0 0 "[ . 1 . 2]" 1
530 1 46 PHE QD 1 47 LYS QG 3.557 . 8.000 6.230 4.788 6.677 . 0 0 "[ . 1 . 2]" 1
531 1 46 PHE QD 1 49 ILE MD 3.669 . 8.000 3.018 2.666 3.809 . 0 0 "[ . 1 . 2]" 1
532 1 47 LYS H 1 47 LYS QB 2.951 . 3.900 2.331 2.114 3.000 . 0 0 "[ . 1 . 2]" 1
533 1 47 LYS H 1 47 LYS QD 3.087 . 3.300 2.094 1.850 2.805 . 0 0 "[ . 1 . 2]" 1
534 1 47 LYS H 1 48 GLU H 3.643 . 4.000 2.238 2.173 2.306 . 0 0 "[ . 1 . 2]" 1
535 1 47 LYS HA 1 47 LYS QD 3.079 . 4.300 3.593 3.456 3.670 . 0 0 "[ . 1 . 2]" 1
536 1 47 LYS HA 1 47 LYS QG 3.247 . 3.900 3.306 3.214 3.490 . 0 0 "[ . 1 . 2]" 1
537 1 47 LYS HA 1 48 GLU H 3.555 . 4.000 3.436 3.363 3.495 . 0 0 "[ . 1 . 2]" 1
538 1 47 LYS HA 1 49 ILE MG 4.064 . 6.000 5.048 4.927 5.110 . 0 0 "[ . 1 . 2]" 1
539 1 47 LYS HA 1 50 LYS H 3.207 . 4.000 2.745 2.429 3.040 . 0 0 "[ . 1 . 2]" 1
540 1 47 LYS QB 1 48 GLU H 3.016 . 4.300 3.489 3.357 3.610 . 0 0 "[ . 1 . 2]" 1
541 1 47 LYS QB 1 50 LYS H 3.690 . 6.000 4.363 3.968 4.706 . 0 0 "[ . 1 . 2]" 1
542 1 47 LYS QD 1 49 ILE H 3.079 . 4.300 4.020 3.986 4.051 . 0 0 "[ . 1 . 2]" 1
543 1 47 LYS QG 1 48 GLU QG 3.468 . 7.000 3.771 3.497 4.462 . 0 0 "[ . 1 . 2]" 1
544 1 47 LYS QG 1 50 LYS H 3.391 . 6.000 4.812 4.306 5.403 . 0 0 "[ . 1 . 2]" 1
545 1 48 GLU H 1 48 GLU QB 3.222 . 3.900 2.134 2.053 2.233 . 0 0 "[ . 1 . 2]" 1
546 1 48 GLU H 1 48 GLU QG 3.069 . 4.300 2.456 2.236 2.679 . 0 0 "[ . 1 . 2]" 1
547 1 48 GLU H 1 49 ILE H 3.102 . 4.000 2.516 2.349 2.645 . 0 0 "[ . 1 . 2]" 1
548 1 48 GLU H 1 49 ILE QG 3.583 . 6.000 4.107 3.833 4.544 . 0 0 "[ . 1 . 2]" 1
549 1 48 GLU H 1 50 LYS H 3.861 . 4.000 4.092 4.025 4.150 0.150 2 0 "[ . 1 . 2]" 1
550 1 48 GLU HA 1 48 GLU QG 2.921 . 3.900 2.518 2.287 2.804 . 0 0 "[ . 1 . 2]" 1
551 1 48 GLU HA 1 51 GLU H 3.659 . 4.000 3.542 3.143 3.994 . 0 0 "[ . 1 . 2]" 1
552 1 48 GLU HB3 1 49 ILE H 3.145 . 3.300 3.363 3.309 3.405 0.105 7 0 "[ . 1 . 2]" 1
553 1 48 GLU HB3 1 49 ILE MD 3.731 . 6.000 4.926 4.675 5.019 . 0 0 "[ . 1 . 2]" 1
554 1 48 GLU QG 1 49 ILE MD 3.584 . 7.000 5.188 5.133 5.241 . 0 0 "[ . 1 . 2]" 1
555 1 49 ILE H 1 49 ILE HB 3.473 . 5.000 2.294 2.080 2.423 . 0 0 "[ . 1 . 2]" 1
556 1 49 ILE H 1 49 ILE MD 3.859 . 5.000 2.890 2.632 3.266 . 0 0 "[ . 1 . 2]" 1
557 1 49 ILE H 1 49 ILE MG 3.713 . 6.000 3.661 3.585 3.686 . 0 0 "[ . 1 . 2]" 1
558 1 49 ILE H 1 50 LYS H 3.432 . 4.000 2.585 2.455 2.721 . 0 0 "[ . 1 . 2]" 1
559 1 49 ILE HA 1 49 ILE MD 3.876 . 5.600 3.834 3.751 3.886 . 0 0 "[ . 1 . 2]" 1
560 1 49 ILE HA 1 49 ILE QG 3.486 . 6.000 2.389 2.256 2.483 . 0 0 "[ . 1 . 2]" 1
561 1 49 ILE HA 1 50 LYS H 4.000 . 4.000 3.538 3.522 3.556 . 0 0 "[ . 1 . 2]" 1
562 1 49 ILE HA 1 52 ALA H 3.753 . 4.000 3.461 3.245 3.814 . 0 0 "[ . 1 . 2]" 1
563 1 49 ILE HA 1 52 ALA MB 3.983 . 6.000 2.930 2.662 3.508 . 0 0 "[ . 1 . 2]" 1
564 1 49 ILE HB 1 50 LYS H 3.690 . 5.000 2.248 2.117 2.409 . 0 0 "[ . 1 . 2]" 1
565 1 49 ILE HB 1 52 ALA MB 3.774 . 6.000 5.014 4.942 5.109 . 0 0 "[ . 1 . 2]" 1
566 1 49 ILE MD 1 50 LYS H 4.007 . 6.000 3.889 3.762 4.103 . 0 0 "[ . 1 . 2]" 1
567 1 49 ILE QG 1 50 LYS H 3.140 . 4.300 3.935 3.844 4.046 . 0 0 "[ . 1 . 2]" 1
568 1 49 ILE QG 1 52 ALA MB 4.303 . 7.000 4.489 4.073 4.931 . 0 0 "[ . 1 . 2]" 1
569 1 49 ILE MG 1 50 LYS H 3.753 . 6.000 3.136 2.581 3.472 . 0 0 "[ . 1 . 2]" 1
570 1 50 LYS H 1 50 LYS QB 3.665 . 5.600 2.126 1.939 2.346 . 0 0 "[ . 1 . 2]" 1
571 1 50 LYS H 1 51 GLU H 3.515 . 4.000 2.721 2.548 3.032 . 0 0 "[ . 1 . 2]" 1
572 1 50 LYS H 1 51 GLU QB 3.452 . 6.000 4.304 4.141 4.465 . 0 0 "[ . 1 . 2]" 1
573 1 50 LYS HA 1 50 LYS QG 3.476 . 3.900 2.370 1.979 3.241 . 0 0 "[ . 1 . 2]" 1
574 1 50 LYS HA 1 53 TYR H 3.498 . 4.000 3.929 3.671 4.175 0.175 19 0 "[ . 1 . 2]" 1
575 1 50 LYS HA 1 53 TYR QB 3.303 . 6.000 4.391 3.923 5.020 . 0 0 "[ . 1 . 2]" 1
576 1 50 LYS QB 1 51 GLU H 3.183 . 4.300 2.723 2.251 3.404 . 0 0 "[ . 1 . 2]" 1
577 1 50 LYS QG 1 51 GLU H 3.309 . 6.000 3.911 2.046 4.620 . 0 0 "[ . 1 . 2]" 1
578 1 51 GLU H 1 52 ALA H 2.778 . 3.000 2.624 2.237 3.042 0.042 12 0 "[ . 1 . 2]" 1
579 1 51 GLU HA 1 51 GLU QG 3.616 . 5.600 2.437 2.111 2.837 . 0 0 "[ . 1 . 2]" 1
580 1 51 GLU HA 1 52 ALA H 3.554 . 4.000 3.546 3.495 3.570 . 0 0 "[ . 1 . 2]" 1
581 1 51 GLU HA 1 54 GLU H 3.045 . 4.000 3.384 3.175 3.742 . 0 0 "[ . 1 . 2]" 1
582 1 51 GLU QB 1 52 ALA H 3.256 . 4.300 2.504 2.345 2.773 . 0 0 "[ . 1 . 2]" 1
583 1 51 GLU QB 1 53 TYR QE 3.484 . 8.000 6.327 5.723 6.653 . 0 0 "[ . 1 . 2]" 1
584 1 51 GLU QG 1 52 ALA H 3.783 . 6.000 3.689 3.174 4.076 . 0 0 "[ . 1 . 2]" 1
585 1 51 GLU QG 1 55 VAL H 3.520 . 6.000 4.871 4.230 5.433 . 0 0 "[ . 1 . 2]" 1
586 1 52 ALA H 1 53 TYR H 3.108 . 4.000 2.896 2.701 3.037 . 0 0 "[ . 1 . 2]" 1
587 1 52 ALA HA 1 53 TYR H 4.000 . 4.000 3.515 3.416 3.559 . 0 0 "[ . 1 . 2]" 1
588 1 52 ALA HA 1 55 VAL H 4.000 . 4.000 3.544 3.342 3.951 . 0 0 "[ . 1 . 2]" 1
589 1 52 ALA HA 1 55 VAL HB 3.655 . 5.000 3.281 2.670 5.157 0.157 19 0 "[ . 1 . 2]" 1
590 1 52 ALA HA 1 55 VAL MG1 4.335 . 6.000 3.015 2.087 3.454 . 0 0 "[ . 1 . 2]" 1
591 1 52 ALA HA 1 56 LEU H 4.000 . 4.000 4.130 4.053 4.205 0.205 5 0 "[ . 1 . 2]" 1
592 1 52 ALA MB 1 53 TYR H 3.815 . 6.000 2.662 2.438 2.979 . 0 0 "[ . 1 . 2]" 1
593 1 52 ALA MB 1 53 TYR QE 4.275 . 8.000 3.343 2.948 4.128 . 0 0 "[ . 1 . 2]" 1
594 1 52 ALA MB 1 55 VAL MG2 4.833 . 7.000 4.769 3.630 4.941 . 0 0 "[ . 1 . 2]" 1
595 1 52 ALA MB 1 56 LEU QD 4.670 . 8.400 2.518 1.658 3.891 0.142 17 0 "[ . 1 . 2]" 1
596 1 53 TYR H 1 53 TYR QB 3.265 . 3.900 2.381 2.233 2.467 . 0 0 "[ . 1 . 2]" 1
597 1 53 TYR H 1 54 GLU H 2.595 . 3.000 2.709 2.492 2.856 . 0 0 "[ . 1 . 2]" 1
598 1 53 TYR HA 1 54 GLU H 3.512 . 4.000 3.534 3.406 3.567 . 0 0 "[ . 1 . 2]" 1
599 1 53 TYR HA 1 56 LEU H 4.000 . 4.000 3.265 2.716 4.023 0.023 10 0 "[ . 1 . 2]" 1
600 1 53 TYR HA 1 56 LEU HB2 5.000 . 5.000 4.759 3.130 5.356 0.356 9 0 "[ . 1 . 2]" 1
601 1 53 TYR HA 1 56 LEU HB3 3.807 . 5.000 4.339 3.361 4.981 . 0 0 "[ . 1 . 2]" 1
602 1 53 TYR HA 1 56 LEU QD 5.000 . 7.400 2.044 1.624 2.590 0.176 9 0 "[ . 1 . 2]" 1
603 1 53 TYR QB 1 54 GLU H 2.992 . 4.300 2.560 2.176 3.038 . 0 0 "[ . 1 . 2]" 1
604 1 53 TYR QD 1 54 GLU H 3.606 . 7.000 4.166 3.816 4.500 . 0 0 "[ . 1 . 2]" 1
605 1 53 TYR QE 1 54 GLU QG 3.764 . 8.000 6.421 6.157 6.693 . 0 0 "[ . 1 . 2]" 1
606 1 53 TYR QE 1 57 THR HG1 3.123 . 5.300 3.858 3.386 4.165 . 0 0 "[ . 1 . 2]" 1
607 1 54 GLU H 1 54 GLU QG 3.549 . 6.000 1.822 1.778 1.936 0.022 7 0 "[ . 1 . 2]" 1
608 1 54 GLU H 1 55 VAL H 3.167 . 4.000 2.611 2.397 2.802 . 0 0 "[ . 1 . 2]" 1
609 1 54 GLU H 1 55 VAL MG1 4.465 . 6.000 4.678 3.306 5.142 . 0 0 "[ . 1 . 2]" 1
610 1 54 GLU HA 1 54 GLU QG 3.410 . 5.600 2.686 2.481 3.314 . 0 0 "[ . 1 . 2]" 1
611 1 54 GLU HA 1 55 VAL H 3.432 . 4.000 3.439 3.211 3.514 . 0 0 "[ . 1 . 2]" 1
612 1 54 GLU QB 1 55 VAL H 3.673 . 6.000 3.032 2.719 3.895 . 0 0 "[ . 1 . 2]" 1
613 1 54 GLU QB 1 55 VAL HA 3.483 . 6.000 4.071 3.910 4.721 . 0 0 "[ . 1 . 2]" 1
614 1 54 GLU QB 1 55 VAL MG1 3.715 . 7.000 4.554 2.426 5.387 . 0 0 "[ . 1 . 2]" 1
615 1 54 GLU QG 1 55 VAL H 4.200 . 6.000 3.480 1.940 3.800 . 0 0 "[ . 1 . 2]" 1
616 1 54 GLU QG 1 55 VAL HA 3.645 . 6.000 5.354 3.970 5.642 . 0 0 "[ . 1 . 2]" 1
617 1 55 VAL H 1 55 VAL HB 3.466 . 5.000 2.401 2.003 3.620 . 0 0 "[ . 1 . 2]" 1
618 1 55 VAL H 1 55 VAL MG1 3.503 . 6.000 2.781 1.753 3.131 0.047 19 0 "[ . 1 . 2]" 1
619 1 55 VAL H 1 56 LEU H 3.089 . 4.000 2.455 2.064 2.856 . 0 0 "[ . 1 . 2]" 1
620 1 55 VAL HA 1 55 VAL MG1 3.447 . 5.600 2.989 2.882 3.161 . 0 0 "[ . 1 . 2]" 1
621 1 55 VAL HA 1 56 LEU H 4.000 . 4.000 3.586 3.527 3.627 . 0 0 "[ . 1 . 2]" 1
622 1 55 VAL HA 1 58 ASP HB3 3.816 . 5.000 4.439 3.622 5.044 0.044 2 0 "[ . 1 . 2]" 1
623 1 55 VAL HA 1 61 LYS QB 3.712 . 6.000 1.814 1.684 2.025 0.116 9 0 "[ . 1 . 2]" 1
624 1 55 VAL HB 1 56 LEU H 3.686 . 5.000 3.176 2.889 3.790 . 0 0 "[ . 1 . 2]" 1
625 1 55 VAL MG1 1 56 LEU H 3.785 . 6.000 1.917 1.741 2.727 0.059 10 0 "[ . 1 . 2]" 1
626 1 55 VAL MG1 1 61 LYS HA 5.000 . 6.000 4.928 3.973 5.232 . 0 0 "[ . 1 . 2]" 1
627 1 55 VAL MG1 1 61 LYS QB 3.658 . 7.000 3.116 1.667 3.831 0.133 4 0 "[ . 1 . 2]" 1
628 1 55 VAL MG1 1 65 TYR H 4.115 . 6.000 4.903 4.654 5.167 . 0 0 "[ . 1 . 2]" 1
629 1 55 VAL MG2 1 56 LEU H 3.767 . 6.000 3.591 1.775 4.161 0.025 4 0 "[ . 1 . 2]" 1
630 1 55 VAL MG2 1 56 LEU HA 3.827 . 6.000 4.447 2.696 5.049 . 0 0 "[ . 1 . 2]" 1
631 1 55 VAL MG2 1 61 LYS QB 3.754 . 7.000 2.328 1.712 3.418 0.088 6 0 "[ . 1 . 2]" 1
632 1 55 VAL MG2 1 62 ARG HA 4.134 . 6.000 4.372 2.560 4.995 . 0 0 "[ . 1 . 2]" 1
633 1 55 VAL MG2 1 65 TYR HB2 4.276 . 6.000 3.620 1.776 4.771 0.024 10 0 "[ . 1 . 2]" 1
634 1 56 LEU H 1 56 LEU QD 3.919 . 5.000 2.258 1.716 2.853 0.084 18 0 "[ . 1 . 2]" 1
635 1 56 LEU H 1 57 THR H 3.784 . 4.000 2.647 2.446 3.105 . 0 0 "[ . 1 . 2]" 1
636 1 56 LEU HA 1 56 LEU QD 3.517 . 6.700 3.038 2.490 3.419 . 0 0 "[ . 1 . 2]" 1
637 1 56 LEU HA 1 57 THR H 4.000 . 4.000 3.526 3.340 3.582 . 0 0 "[ . 1 . 2]" 1
638 1 56 LEU HB2 1 57 THR H 4.317 . 5.000 4.082 3.145 4.503 . 0 0 "[ . 1 . 2]" 1
639 1 56 LEU HB3 1 57 THR H 3.638 . 5.000 4.007 3.564 4.599 . 0 0 "[ . 1 . 2]" 1
640 1 56 LEU QD 1 61 LYS QG 3.740 . 8.400 5.560 5.329 5.709 . 0 0 "[ . 1 . 2]" 1
641 1 56 LEU QD 1 62 ARG HA 4.229 . 7.400 4.880 3.918 5.586 . 0 0 "[ . 1 . 2]" 1
642 1 56 LEU QD 1 62 ARG QB 5.100 . 8.400 3.801 2.395 4.875 . 0 0 "[ . 1 . 2]" 1
643 1 56 LEU QD 1 65 TYR QD 3.878 . 9.400 5.725 4.451 6.386 . 0 0 "[ . 1 . 2]" 1
644 1 57 THR H 1 57 THR HG1 3.284 . 3.300 2.085 1.843 2.449 . 0 0 "[ . 1 . 2]" 1
645 1 57 THR H 1 58 ASP H 3.118 . 4.000 2.877 2.280 3.140 . 0 0 "[ . 1 . 2]" 1
646 1 57 THR HA 1 57 THR HB 2.867 . 3.300 2.420 2.339 2.527 . 0 0 "[ . 1 . 2]" 1
647 1 57 THR HA 1 57 THR HG1 2.889 . 3.300 2.462 2.236 2.615 . 0 0 "[ . 1 . 2]" 1
648 1 57 THR HA 1 58 ASP H 3.370 . 4.000 2.988 2.894 3.229 . 0 0 "[ . 1 . 2]" 1
649 1 57 THR MG 1 58 ASP H 4.246 . 6.000 4.199 3.915 4.388 . 0 0 "[ . 1 . 2]" 1
650 1 58 ASP H 1 58 ASP HB2 3.630 . 5.000 2.694 2.555 2.784 . 0 0 "[ . 1 . 2]" 1
651 1 58 ASP H 1 59 SER H 4.000 . 4.000 4.041 3.952 4.139 0.139 4 0 "[ . 1 . 2]" 1
652 1 58 ASP HA 1 59 SER H 3.121 . 4.000 2.112 2.093 2.131 . 0 0 "[ . 1 . 2]" 1
653 1 58 ASP HA 1 59 SER HA 3.717 . 4.000 4.365 4.340 4.391 0.391 20 0 "[ . 1 . 2]" 1
654 1 58 ASP HA 1 60 GLN H 4.000 . 4.000 3.923 3.574 4.085 0.085 2 0 "[ . 1 . 2]" 1
655 1 58 ASP HB2 1 59 SER H 3.861 . 5.000 4.552 4.480 4.591 . 0 0 "[ . 1 . 2]" 1
656 1 58 ASP HB2 1 61 LYS H 5.000 . 5.000 3.870 3.509 4.697 . 0 0 "[ . 1 . 2]" 1
657 1 58 ASP HB2 1 61 LYS HB2 5.000 . 5.000 3.373 2.131 5.027 0.027 4 0 "[ . 1 . 2]" 1
658 1 58 ASP HB2 1 62 ARG QG 5.000 . 6.000 5.119 4.872 5.215 . 0 0 "[ . 1 . 2]" 1
659 1 58 ASP HB3 1 59 SER H 4.147 . 5.000 3.822 3.619 3.915 . 0 0 "[ . 1 . 2]" 1
660 1 58 ASP HB3 1 61 LYS H 3.803 . 5.000 2.454 1.977 3.483 . 0 0 "[ . 1 . 2]" 1
661 1 58 ASP HB3 1 62 ARG QG 3.746 . 6.000 4.523 4.447 4.586 . 0 0 "[ . 1 . 2]" 1
662 1 59 SER H 1 59 SER QB 3.423 . 5.600 2.203 1.960 2.528 . 0 0 "[ . 1 . 2]" 1
663 1 59 SER H 1 60 GLN H 3.774 . 4.000 3.002 2.879 3.104 . 0 0 "[ . 1 . 2]" 1
664 1 59 SER HA 1 60 GLN H 3.623 . 4.000 3.533 3.288 3.582 . 0 0 "[ . 1 . 2]" 1
665 1 59 SER HA 1 62 ARG H 4.000 . 4.000 3.935 3.596 4.084 0.084 20 0 "[ . 1 . 2]" 1
666 1 59 SER HA 1 63 ALA H 3.869 . 4.000 3.866 3.231 4.066 0.066 19 0 "[ . 1 . 2]" 1
667 1 59 SER QB 1 60 GLN H 3.638 . 6.000 2.810 2.380 3.581 . 0 0 "[ . 1 . 2]" 1
668 1 60 GLN H 1 61 LYS H 3.144 . 4.000 2.811 2.523 3.445 . 0 0 "[ . 1 . 2]" 1
669 1 60 GLN QB 1 61 LYS H 3.124 . 4.300 2.499 1.860 3.457 . 0 0 "[ . 1 . 2]" 1
670 1 60 GLN QE 1 61 LYS QG 3.559 . 6.000 4.208 3.274 4.775 . 0 0 "[ . 1 . 2]" 1
671 1 60 GLN QG 1 61 LYS QD 2.879 . 5.300 3.204 1.728 3.863 0.072 2 0 "[ . 1 . 2]" 1
672 1 61 LYS H 1 62 ARG H 3.502 . 4.000 2.728 2.543 2.981 . 0 0 "[ . 1 . 2]" 1
673 1 61 LYS H 1 62 ARG QG 5.000 . 6.000 3.877 3.427 4.865 . 0 0 "[ . 1 . 2]" 1
674 1 61 LYS HA 1 61 LYS QE 5.000 . 5.000 3.459 1.900 4.452 . 0 0 "[ . 1 . 2]" 1
675 1 61 LYS HA 1 62 ARG H 4.000 . 4.000 3.565 3.407 3.608 . 0 0 "[ . 1 . 2]" 1
676 1 61 LYS HA 1 63 ALA H 3.775 . 4.000 3.995 3.752 4.142 0.142 1 0 "[ . 1 . 2]" 1
677 1 61 LYS HA 1 64 ALA H 3.761 . 4.000 3.215 2.849 4.027 0.027 12 0 "[ . 1 . 2]" 1
678 1 61 LYS QG 1 62 ARG H 4.395 . 6.000 3.878 3.273 4.632 . 0 0 "[ . 1 . 2]" 1
679 1 62 ARG H 1 63 ALA H 3.232 . 4.000 2.607 2.305 2.916 . 0 0 "[ . 1 . 2]" 1
680 1 62 ARG HA 1 62 ARG QG 3.546 . 5.600 3.283 3.235 3.304 . 0 0 "[ . 1 . 2]" 1
681 1 62 ARG HA 1 63 ALA H 4.000 . 4.000 3.465 3.369 3.528 . 0 0 "[ . 1 . 2]" 1
682 1 62 ARG HA 1 64 ALA H 4.000 . 4.000 4.066 3.912 4.150 0.150 15 0 "[ . 1 . 2]" 1
683 1 62 ARG HA 1 65 TYR H 4.000 . 4.000 3.590 3.128 3.945 . 0 0 "[ . 1 . 2]" 1
684 1 62 ARG HA 1 65 TYR HB2 3.477 . 5.000 3.013 2.508 3.421 . 0 0 "[ . 1 . 2]" 1
685 1 62 ARG QB 1 63 ALA H 3.247 . 4.300 3.537 3.417 3.677 . 0 0 "[ . 1 . 2]" 1
686 1 62 ARG QD 1 63 ALA H 3.897 . 6.000 4.159 3.564 4.477 . 0 0 "[ . 1 . 2]" 1
687 1 62 ARG QG 1 63 ALA H 3.100 . 4.300 2.114 1.836 2.485 . 0 0 "[ . 1 . 2]" 1
688 1 62 ARG QG 1 63 ALA HA 3.754 . 6.000 3.308 3.016 3.679 . 0 0 "[ . 1 . 2]" 1
689 1 62 ARG QG 1 64 ALA MB 3.446 . 7.000 5.105 4.948 5.243 . 0 0 "[ . 1 . 2]" 1
690 1 62 ARG QG 1 66 ASP H 4.424 . 6.000 5.231 4.485 5.378 . 0 0 "[ . 1 . 2]" 1
691 1 63 ALA H 1 63 ALA MB 3.229 . 3.900 2.154 1.971 2.217 . 0 0 "[ . 1 . 2]" 1
692 1 63 ALA H 1 64 ALA H 2.916 . 3.000 2.235 2.095 2.860 . 0 0 "[ . 1 . 2]" 1
693 1 63 ALA H 1 65 TYR H 3.418 . 4.000 3.974 3.404 4.110 0.110 10 0 "[ . 1 . 2]" 1
694 1 63 ALA H 1 65 TYR HB2 5.000 . 5.000 5.091 5.005 5.265 0.265 2 0 "[ . 1 . 2]" 1
695 1 63 ALA HA 1 66 ASP H 3.469 . 4.000 3.777 3.190 3.991 . 0 0 "[ . 1 . 2]" 1
696 1 63 ALA HA 1 66 ASP HB3 3.271 . 3.300 3.187 2.564 3.341 0.041 12 0 "[ . 1 . 2]" 1
697 1 63 ALA MB 1 64 ALA H 3.148 . 4.300 2.766 2.370 2.894 . 0 0 "[ . 1 . 2]" 1
698 1 63 ALA MB 1 65 TYR H 3.617 . 6.000 4.700 4.147 4.911 . 0 0 "[ . 1 . 2]" 1
699 1 63 ALA MB 1 66 ASP H 5.000 . 6.000 4.829 4.243 5.055 . 0 0 "[ . 1 . 2]" 1
700 1 64 ALA H 1 65 TYR H 3.420 . 4.000 2.426 2.304 2.729 . 0 0 "[ . 1 . 2]" 1
701 1 64 ALA HA 1 65 TYR H 3.736 . 4.000 3.568 3.480 3.615 . 0 0 "[ . 1 . 2]" 1
702 1 64 ALA HA 1 67 GLN H 3.418 . 4.000 3.928 3.122 4.094 0.094 18 0 "[ . 1 . 2]" 1
703 1 64 ALA MB 1 65 TYR H 3.574 . 6.000 2.393 2.191 2.580 . 0 0 "[ . 1 . 2]" 1
704 1 65 TYR H 1 65 TYR HB2 3.484 . 5.000 2.114 1.929 2.824 . 0 0 "[ . 1 . 2]" 1
705 1 65 TYR H 1 66 ASP H 3.638 . 4.000 2.663 2.504 2.973 . 0 0 "[ . 1 . 2]" 1
706 1 65 TYR HA 1 65 TYR QD 3.302 . 6.000 2.572 1.989 3.112 . 0 0 "[ . 1 . 2]" 1
707 1 65 TYR HA 1 66 ASP H 4.000 . 4.000 3.533 3.473 3.603 . 0 0 "[ . 1 . 2]" 1
708 1 65 TYR HA 1 67 GLN H 3.770 . 4.000 3.759 3.527 4.021 0.021 12 0 "[ . 1 . 2]" 1
709 1 65 TYR HA 1 68 TYR H 3.731 . 4.000 2.909 2.628 3.651 . 0 0 "[ . 1 . 2]" 1
710 1 65 TYR HA 1 69 GLY H 3.108 . 4.000 3.910 3.673 4.042 0.042 14 0 "[ . 1 . 2]" 1
711 1 65 TYR QB 1 66 ASP H 3.052 . 4.300 2.732 2.061 3.051 . 0 0 "[ . 1 . 2]" 1
712 1 65 TYR HB2 1 66 ASP H 3.667 . 5.000 3.160 2.766 3.774 . 0 0 "[ . 1 . 2]" 1
713 1 66 ASP H 1 66 ASP HB2 3.508 . 5.000 3.475 3.168 3.569 . 0 0 "[ . 1 . 2]" 1
714 1 66 ASP H 1 66 ASP HB3 3.469 . 5.000 2.229 1.930 2.518 . 0 0 "[ . 1 . 2]" 1
715 1 66 ASP H 1 67 GLN H 3.389 . 4.000 2.746 2.367 2.928 . 0 0 "[ . 1 . 2]" 1
716 1 66 ASP H 1 68 TYR QD 3.477 . 7.000 5.823 4.982 6.529 . 0 0 "[ . 1 . 2]" 1
717 1 66 ASP HA 1 67 GLN H 3.493 . 4.000 3.501 3.417 3.553 . 0 0 "[ . 1 . 2]" 1
718 1 66 ASP HA 1 67 GLN QG 3.584 . 6.000 4.579 4.049 5.174 . 0 0 "[ . 1 . 2]" 1
719 1 66 ASP HB2 1 67 GLN H 3.441 . 5.000 4.059 3.583 4.304 . 0 0 "[ . 1 . 2]" 1
720 1 66 ASP HB3 1 67 GLN H 3.707 . 5.000 3.823 3.104 4.087 . 0 0 "[ . 1 . 2]" 1
721 1 67 GLN H 1 67 GLN QB 3.056 . 3.900 2.474 2.099 3.010 . 0 0 "[ . 1 . 2]" 1
722 1 67 GLN H 1 67 GLN QG 3.573 . 6.000 2.739 1.802 3.735 . 0 0 "[ . 1 . 2]" 1
723 1 67 GLN H 1 68 TYR H 3.331 . 4.000 2.209 1.982 2.345 . 0 0 "[ . 1 . 2]" 1
724 1 67 GLN H 1 68 TYR HB2 3.629 . 5.000 4.953 4.803 5.090 0.090 9 0 "[ . 1 . 2]" 1
725 1 67 GLN H 1 69 GLY H 3.831 . 4.000 3.340 2.898 3.981 . 0 0 "[ . 1 . 2]" 1
726 1 67 GLN HA 1 67 GLN QG 3.186 . 3.900 2.533 2.114 3.284 . 0 0 "[ . 1 . 2]" 1
727 1 67 GLN HA 1 68 TYR H 3.236 . 4.000 3.229 3.044 3.395 . 0 0 "[ . 1 . 2]" 1
728 1 67 GLN QB 1 68 TYR H 3.070 . 4.300 3.518 3.146 3.917 . 0 0 "[ . 1 . 2]" 1
729 1 67 GLN QB 1 70 HIS HA 3.092 . 4.300 3.732 3.559 3.924 . 0 0 "[ . 1 . 2]" 1
730 1 67 GLN QG 1 68 TYR H 3.737 . 6.000 4.181 2.992 4.820 . 0 0 "[ . 1 . 2]" 1
731 1 68 TYR H 1 68 TYR HB2 3.590 . 5.000 3.186 3.030 3.380 . 0 0 "[ . 1 . 2]" 1
732 1 68 TYR H 1 68 TYR HB3 3.647 . 5.000 4.050 4.015 4.076 . 0 0 "[ . 1 . 2]" 1
733 1 68 TYR H 1 69 GLY H 3.190 . 4.000 2.773 2.638 2.866 . 0 0 "[ . 1 . 2]" 1
734 1 68 TYR H 1 72 ALA MB 3.925 . 6.000 4.747 4.401 4.956 . 0 0 "[ . 1 . 2]" 1
735 1 68 TYR HA 1 68 TYR QD 3.279 . 4.300 2.666 1.829 3.084 . 0 0 "[ . 1 . 2]" 1
736 1 68 TYR HA 1 69 GLY H 3.214 . 4.000 3.008 2.886 3.123 . 0 0 "[ . 1 . 2]" 1
737 1 68 TYR HB2 1 69 GLY H 3.803 . 5.000 4.073 3.851 4.257 . 0 0 "[ . 1 . 2]" 1
738 1 68 TYR HB2 1 72 ALA H 4.030 . 5.000 4.583 3.920 5.011 0.011 19 0 "[ . 1 . 2]" 1
739 1 68 TYR HB2 1 72 ALA MB 3.939 . 6.000 2.893 1.977 3.622 . 0 0 "[ . 1 . 2]" 1
740 1 68 TYR HB3 1 69 GLY H 3.502 . 5.000 4.318 4.159 4.431 . 0 0 "[ . 1 . 2]" 1
741 1 68 TYR HB3 1 71 ALA MB 4.324 . 6.000 4.698 4.470 4.867 . 0 0 "[ . 1 . 2]" 1
742 1 68 TYR HB3 1 72 ALA H 4.317 . 5.000 4.749 4.408 5.023 0.023 5 0 "[ . 1 . 2]" 1
743 1 68 TYR HB3 1 72 ALA MB 4.166 . 6.000 3.628 2.776 4.262 . 0 0 "[ . 1 . 2]" 1
744 1 69 GLY H 1 70 HIS HA 3.591 . 5.000 5.040 5.014 5.078 0.078 12 0 "[ . 1 . 2]" 1
745 1 69 GLY QA 1 70 HIS H 3.135 . 5.000 2.284 2.183 2.338 . 0 0 "[ . 1 . 2]" 1
746 1 69 GLY QA 1 71 ALA H 4.000 . 5.000 2.899 2.847 2.998 . 0 0 "[ . 1 . 2]" 1
747 1 69 GLY QA 1 72 ALA H 3.092 . 5.000 4.128 3.805 4.376 . 0 0 "[ . 1 . 2]" 1
748 1 70 HIS H 1 70 HIS HB2 3.753 . 5.000 3.541 3.514 3.575 . 0 0 "[ . 1 . 2]" 1
749 1 70 HIS H 1 70 HIS HB3 3.709 . 5.000 2.438 2.256 2.684 . 0 0 "[ . 1 . 2]" 1
750 1 70 HIS H 1 71 ALA H 4.000 . 4.000 2.697 2.613 2.881 . 0 0 "[ . 1 . 2]" 1
751 1 70 HIS HA 1 71 ALA H 3.649 . 4.000 3.347 3.193 3.503 . 0 0 "[ . 1 . 2]" 1
752 1 70 HIS HA 1 72 ALA H 4.000 . 4.000 3.967 3.789 4.029 0.029 17 0 "[ . 1 . 2]" 1
753 1 70 HIS QB 1 71 ALA H 3.532 . 6.000 3.770 3.523 3.930 . 0 0 "[ . 1 . 2]" 1
754 1 71 ALA H 1 72 ALA H 4.000 . 4.000 2.656 2.377 2.935 . 0 0 "[ . 1 . 2]" 1
755 1 71 ALA H 1 73 PHE H 3.736 . 4.000 4.019 3.844 4.100 0.100 15 0 "[ . 1 . 2]" 1
756 1 71 ALA HA 1 72 ALA H 3.329 . 4.000 3.555 3.513 3.575 . 0 0 "[ . 1 . 2]" 1
757 1 71 ALA HA 1 73 PHE H 3.942 . 4.000 3.656 3.495 3.926 . 0 0 "[ . 1 . 2]" 1
758 1 71 ALA HA 1 74 GLU H 3.831 . 4.000 3.159 2.791 3.900 . 0 0 "[ . 1 . 2]" 1
759 1 71 ALA HA 1 74 GLU QB 3.486 . 6.000 4.563 3.159 5.396 . 0 0 "[ . 1 . 2]" 1
760 1 71 ALA HA 1 74 GLU QG 3.484 . 6.000 4.167 1.957 5.237 . 0 0 "[ . 1 . 2]" 1
761 1 71 ALA MB 1 72 ALA H 3.788 . 6.000 2.573 2.410 2.826 . 0 0 "[ . 1 . 2]" 1
762 1 71 ALA MB 1 73 PHE H 4.995 . 6.000 4.165 4.088 4.335 . 0 0 "[ . 1 . 2]" 1
763 1 72 ALA H 1 72 ALA MB 3.330 . 5.600 2.053 1.916 2.155 . 0 0 "[ . 1 . 2]" 1
764 1 72 ALA HA 1 73 PHE H 3.557 . 4.000 3.454 3.387 3.495 . 0 0 "[ . 1 . 2]" 1
765 1 72 ALA MB 1 73 PHE H 3.905 . 6.000 2.937 2.779 3.106 . 0 0 "[ . 1 . 2]" 1
766 1 73 PHE H 1 73 PHE HB2 3.432 . 5.000 2.300 2.069 2.593 . 0 0 "[ . 1 . 2]" 1
767 1 73 PHE H 1 73 PHE HB3 3.545 . 5.000 3.400 3.156 3.721 . 0 0 "[ . 1 . 2]" 1
768 1 73 PHE H 1 74 GLU H 2.530 . 3.000 2.186 1.838 3.023 0.023 16 0 "[ . 1 . 2]" 1
769 1 73 PHE HA 1 73 PHE QD 3.242 . 4.300 2.428 1.886 2.946 . 0 0 "[ . 1 . 2]" 1
770 1 73 PHE HA 1 74 GLU H 3.382 . 4.000 3.323 2.560 3.584 . 0 0 "[ . 1 . 2]" 1
771 1 73 PHE HA 1 74 GLU QB 3.570 . 6.000 4.516 3.963 5.331 . 0 0 "[ . 1 . 2]" 1
772 1 73 PHE HA 1 74 GLU QG 3.232 . 4.300 3.575 3.006 3.977 . 0 0 "[ . 1 . 2]" 1
773 1 73 PHE HB2 1 74 GLU H 3.552 . 5.000 3.519 2.808 4.497 . 0 0 "[ . 1 . 2]" 1
774 1 73 PHE HB3 1 74 GLU H 3.819 . 5.000 3.691 2.772 4.402 . 0 0 "[ . 1 . 2]" 1
775 1 74 GLU HA 1 74 GLU QG 3.129 . 3.900 2.572 2.263 3.020 . 0 0 "[ . 1 . 2]" 1
776 1 75 GLN HA 1 76 GLY H 3.414 . 4.000 2.902 2.214 3.593 . 0 0 "[ . 1 . 2]" 1
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