NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
485033 |
2jxo   |
15567 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jxo
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 1636
_Distance_constraint_stats_list.Viol_count 1215
_Distance_constraint_stats_list.Viol_total 367.561
_Distance_constraint_stats_list.Viol_max 0.399
_Distance_constraint_stats_list.Viol_rms 0.0103
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0016
_Distance_constraint_stats_list.Viol_average_violations_only 0.0252
_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 ILE 0.344 0.066 2 0 "[ . 1 ]"
1 3 ASP 1.402 0.120 2 0 "[ . 1 ]"
1 4 PRO 0.830 0.116 2 0 "[ . 1 ]"
1 5 PHE 0.864 0.237 2 0 "[ . 1 ]"
1 6 THR 1.147 0.237 2 0 "[ . 1 ]"
1 7 MET 1.197 0.140 11 0 "[ . 1 ]"
1 8 LEU 1.238 0.162 11 0 "[ . 1 ]"
1 9 ARG 0.704 0.179 11 0 "[ . 1 ]"
1 10 PRO 0.517 0.179 11 0 "[ . 1 ]"
1 11 ARG 0.300 0.044 3 0 "[ . 1 ]"
1 12 LEU 0.294 0.060 9 0 "[ . 1 ]"
1 13 CYS 0.277 0.044 9 0 "[ . 1 ]"
1 14 THR 0.676 0.114 11 0 "[ . 1 ]"
1 15 MET 0.461 0.048 9 0 "[ . 1 ]"
1 16 LYS 0.393 0.037 5 0 "[ . 1 ]"
1 17 LYS 1.038 0.075 6 0 "[ . 1 ]"
1 18 GLY 0.009 0.006 3 0 "[ . 1 ]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 20 SER 0.016 0.015 11 0 "[ . 1 ]"
1 21 GLY 0.881 0.075 6 0 "[ . 1 ]"
1 22 TYR 0.033 0.016 7 0 "[ . 1 ]"
1 23 GLY 0.531 0.052 5 0 "[ . 1 ]"
1 24 PHE 1.472 0.121 3 0 "[ . 1 ]"
1 25 ASN 2.754 0.125 3 0 "[ . 1 ]"
1 26 LEU 0.356 0.045 12 0 "[ . 1 ]"
1 27 HIS 0.788 0.097 10 0 "[ . 1 ]"
1 28 SER 0.236 0.053 4 0 "[ . 1 ]"
1 29 ASP 0.240 0.053 4 0 "[ . 1 ]"
1 30 LYS 0.126 0.126 4 0 "[ . 1 ]"
1 31 SER 0.955 0.399 4 0 "[ . 1 ]"
1 32 LYS 1.158 0.399 4 0 "[ . 1 ]"
1 33 PRO 0.077 0.024 11 0 "[ . 1 ]"
1 34 GLY 0.379 0.247 4 0 "[ . 1 ]"
1 35 GLN 0.871 0.247 4 0 "[ . 1 ]"
1 36 PHE 0.344 0.124 4 0 "[ . 1 ]"
1 37 ILE 2.026 0.151 11 0 "[ . 1 ]"
1 38 ARG 0.957 0.097 10 0 "[ . 1 ]"
1 39 SER 0.710 0.059 9 0 "[ . 1 ]"
1 40 VAL 0.370 0.039 11 0 "[ . 1 ]"
1 41 ASP 0.682 0.052 5 0 "[ . 1 ]"
1 42 PRO 0.000 0.000 . 0 "[ . 1 ]"
1 43 ASP 0.056 0.013 5 0 "[ . 1 ]"
1 44 SER 0.370 0.046 10 0 "[ . 1 ]"
1 45 PRO 0.498 0.048 1 0 "[ . 1 ]"
1 46 ALA 0.369 0.067 3 0 "[ . 1 ]"
1 47 GLU 0.864 0.048 1 0 "[ . 1 ]"
1 48 ALA 0.672 0.045 8 0 "[ . 1 ]"
1 49 SER 0.598 0.114 11 0 "[ . 1 ]"
1 50 GLY 0.012 0.010 11 0 "[ . 1 ]"
1 51 LEU 0.776 0.075 8 0 "[ . 1 ]"
1 52 ARG 0.550 0.150 6 0 "[ . 1 ]"
1 53 ALA 0.277 0.045 4 0 "[ . 1 ]"
1 54 GLN 0.804 0.325 11 0 "[ . 1 ]"
1 55 ASP 1.979 0.232 11 0 "[ . 1 ]"
1 56 ARG 0.864 0.104 4 0 "[ . 1 ]"
1 57 ILE 0.827 0.124 4 0 "[ . 1 ]"
1 58 VAL 0.639 0.070 10 0 "[ . 1 ]"
1 59 GLU 0.805 0.058 9 0 "[ . 1 ]"
1 60 VAL 0.206 0.036 4 0 "[ . 1 ]"
1 61 ASN 0.812 0.039 10 0 "[ . 1 ]"
1 62 GLY 0.177 0.036 4 0 "[ . 1 ]"
1 63 VAL 0.546 0.039 1 0 "[ . 1 ]"
1 64 CYS 0.050 0.009 2 0 "[ . 1 ]"
1 65 MET 0.499 0.058 9 0 "[ . 1 ]"
1 66 GLU 0.127 0.030 9 0 "[ . 1 ]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 68 LYS 0.216 0.030 9 0 "[ . 1 ]"
1 69 GLN 0.864 0.157 11 0 "[ . 1 ]"
1 70 HIS 0.260 0.061 4 0 "[ . 1 ]"
1 71 GLY 0.462 0.038 11 0 "[ . 1 ]"
1 72 ASP 0.869 0.036 12 0 "[ . 1 ]"
1 73 VAL 0.267 0.097 4 0 "[ . 1 ]"
1 74 VAL 0.177 0.016 4 0 "[ . 1 ]"
1 75 SER 0.772 0.038 11 0 "[ . 1 ]"
1 76 ALA 0.335 0.036 12 0 "[ . 1 ]"
1 77 ILE 0.271 0.033 3 0 "[ . 1 ]"
1 78 ARG 0.222 0.033 3 0 "[ . 1 ]"
1 79 ALA 0.233 0.022 11 0 "[ . 1 ]"
1 80 GLY 0.039 0.016 6 0 "[ . 1 ]"
1 81 GLY 0.040 0.016 6 0 "[ . 1 ]"
1 82 ASP 0.057 0.046 9 0 "[ . 1 ]"
1 83 GLU 0.276 0.033 11 0 "[ . 1 ]"
1 84 THR 0.359 0.028 11 0 "[ . 1 ]"
1 85 LYS 0.603 0.039 10 0 "[ . 1 ]"
1 86 LEU 0.428 0.048 9 0 "[ . 1 ]"
1 87 LEU 0.462 0.060 9 0 "[ . 1 ]"
1 88 VAL 0.463 0.090 10 0 "[ . 1 ]"
1 89 VAL 0.413 0.070 10 0 "[ . 1 ]"
1 90 ASP 1.592 0.162 11 0 "[ . 1 ]"
1 91 ARG 0.740 0.152 6 0 "[ . 1 ]"
1 92 GLU 1.544 0.325 11 0 "[ . 1 ]"
1 93 THR 0.546 0.150 11 0 "[ . 1 ]"
1 94 ASP 0.913 0.142 1 0 "[ . 1 ]"
1 95 GLU 0.565 0.222 11 0 "[ . 1 ]"
1 96 PHE 0.753 0.199 11 0 "[ . 1 ]"
1 97 PHE 0.526 0.199 11 0 "[ . 1 ]"
1 98 LYS 0.210 0.063 10 0 "[ . 1 ]"
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 ILE HA 1 2 ILE MD 3.500 . 4.000 3.055 2.835 3.243 . 0 0 "[ . 1 ]" 1
2 1 2 ILE HA 1 3 ASP HA 3.500 . 4.500 4.328 4.296 4.371 . 0 0 "[ . 1 ]" 1
3 1 2 ILE HA 1 3 ASP H 2.300 . 2.800 2.186 2.122 2.285 . 0 0 "[ . 1 ]" 1
4 1 2 ILE MD 1 3 ASP QB 3.500 . 4.500 2.855 2.219 3.895 . 0 0 "[ . 1 ]" 1
5 1 2 ILE HB 1 3 ASP H 3.500 . 4.200 4.186 4.036 4.266 0.066 2 0 "[ . 1 ]" 1
6 1 2 ILE MD 1 3 ASP H 3.000 . 3.500 2.254 1.937 2.829 . 0 0 "[ . 1 ]" 1
7 1 2 ILE MG 1 3 ASP H 4.500 . 5.000 3.766 3.445 4.090 . 0 0 "[ . 1 ]" 1
8 1 3 ASP H 1 3 ASP HA 2.300 . 2.800 2.795 2.709 2.920 0.120 2 0 "[ . 1 ]" 1
9 1 3 ASP H 1 3 ASP HB3 2.300 . 2.800 2.700 2.366 2.845 0.045 7 0 "[ . 1 ]" 1
10 1 3 ASP H 1 3 ASP HB2 2.300 . 2.800 2.457 2.248 2.761 . 0 0 "[ . 1 ]" 1
11 1 3 ASP H 1 4 PRO HD3 4.500 . 5.000 4.911 4.166 5.106 0.106 4 0 "[ . 1 ]" 1
12 1 3 ASP H 1 4 PRO HD2 4.500 . 5.000 4.782 4.603 5.038 0.038 12 0 "[ . 1 ]" 1
13 1 3 ASP HA 1 4 PRO QD 2.300 . 2.600 1.978 1.949 2.019 . 0 0 "[ . 1 ]" 1
14 1 3 ASP HB3 1 4 PRO QD 4.500 . 5.000 3.766 3.668 4.403 . 0 0 "[ . 1 ]" 1
15 1 3 ASP HB2 1 4 PRO QD 4.500 . 5.000 3.676 3.470 3.941 . 0 0 "[ . 1 ]" 1
16 1 4 PRO HA 1 4 PRO HB3 2.300 . 2.800 2.275 2.263 2.289 . 0 0 "[ . 1 ]" 1
17 1 4 PRO HB3 1 4 PRO HG3 2.300 . 2.600 2.303 2.277 2.313 . 0 0 "[ . 1 ]" 1
18 1 4 PRO HB2 1 4 PRO HG3 3.000 . 3.300 2.695 2.680 2.741 . 0 0 "[ . 1 ]" 1
19 1 4 PRO HD3 1 4 PRO HG3 2.300 . 2.600 2.305 2.257 2.331 . 0 0 "[ . 1 ]" 1
20 1 4 PRO HD3 1 4 PRO HG2 2.300 . 3.000 2.975 2.900 2.999 . 0 0 "[ . 1 ]" 1
21 1 4 PRO HD2 1 4 PRO HG3 3.000 . 3.300 2.714 2.673 2.825 . 0 0 "[ . 1 ]" 1
22 1 4 PRO HD2 1 4 PRO HG2 3.000 . 3.300 2.299 2.255 2.319 . 0 0 "[ . 1 ]" 1
23 1 4 PRO QG 1 5 PHE QB 4.500 . 5.000 3.413 3.086 3.604 . 0 0 "[ . 1 ]" 1
24 1 3 ASP QB 1 5 PHE H 4.500 . 5.500 4.417 4.048 5.527 0.027 6 0 "[ . 1 ]" 1
25 1 4 PRO HA 1 5 PHE H 3.500 . 3.800 3.575 3.548 3.588 . 0 0 "[ . 1 ]" 1
26 1 4 PRO HB2 1 5 PHE H 2.300 . 2.600 2.512 2.247 2.716 0.116 2 0 "[ . 1 ]" 1
27 1 4 PRO HB3 1 5 PHE H 3.500 . 3.800 3.744 3.617 3.822 0.022 3 0 "[ . 1 ]" 1
28 1 4 PRO HD3 1 5 PHE H 3.500 . 4.500 4.089 3.772 4.294 . 0 0 "[ . 1 ]" 1
29 1 4 PRO HD2 1 5 PHE H 3.000 . 3.500 3.115 2.554 3.506 0.006 4 0 "[ . 1 ]" 1
30 1 4 PRO HG3 1 5 PHE H 3.000 . 3.700 3.607 3.466 3.745 0.045 4 0 "[ . 1 ]" 1
31 1 4 PRO HG2 1 5 PHE H 2.300 . 2.600 2.028 1.879 2.204 . 0 0 "[ . 1 ]" 1
32 1 5 PHE HA 1 5 PHE HB3 3.000 . 3.500 3.019 3.004 3.027 . 0 0 "[ . 1 ]" 1
33 1 5 PHE HA 1 5 PHE HB2 2.300 . 2.600 2.506 2.421 2.590 . 0 0 "[ . 1 ]" 1
34 1 5 PHE HA 1 5 PHE QD 3.500 . 3.800 2.377 1.977 2.954 . 0 0 "[ . 1 ]" 1
35 1 5 PHE H 1 5 PHE HA 2.300 . 3.000 2.902 2.763 2.947 . 0 0 "[ . 1 ]" 1
36 1 5 PHE H 1 5 PHE HB3 2.300 . 2.800 2.614 2.420 2.743 . 0 0 "[ . 1 ]" 1
37 1 5 PHE H 1 5 PHE HB2 3.000 . 3.300 2.687 2.309 3.034 . 0 0 "[ . 1 ]" 1
38 1 5 PHE H 1 5 PHE QD 3.500 . 4.500 4.221 4.118 4.275 . 0 0 "[ . 1 ]" 1
39 1 5 PHE H 1 6 THR HA 4.500 . 5.500 4.699 4.289 5.325 . 0 0 "[ . 1 ]" 1
40 1 5 PHE H 1 6 THR MG 4.500 . 6.000 4.984 4.767 5.069 . 0 0 "[ . 1 ]" 1
41 1 5 PHE H 1 6 THR H 2.300 . 2.600 2.504 2.038 2.712 0.112 2 0 "[ . 1 ]" 1
42 1 5 PHE H 1 7 MET QG 4.500 . 5.500 5.011 4.127 5.536 0.036 6 0 "[ . 1 ]" 1
43 1 5 PHE HA 1 6 THR H 3.500 . 3.800 3.550 3.434 3.578 . 0 0 "[ . 1 ]" 1
44 1 5 PHE HB3 1 6 THR H 3.500 . 4.000 2.286 2.081 2.949 . 0 0 "[ . 1 ]" 1
45 1 5 PHE HB2 1 6 THR H 3.500 . 4.000 3.638 3.426 3.921 . 0 0 "[ . 1 ]" 1
46 1 5 PHE QD 1 6 THR H 3.500 . 4.000 3.578 3.020 4.237 0.237 2 0 "[ . 1 ]" 1
47 1 6 THR HA 1 6 THR MG 3.000 . 3.300 2.172 2.128 2.243 . 0 0 "[ . 1 ]" 1
48 1 6 THR HB 1 6 THR MG 2.300 . 2.600 2.070 2.063 2.088 . 0 0 "[ . 1 ]" 1
49 1 6 THR H 1 6 THR HA 2.300 . 2.800 2.759 2.650 2.935 0.135 12 0 "[ . 1 ]" 1
50 1 6 THR H 1 6 THR MG 3.500 . 4.500 3.573 3.235 3.706 . 0 0 "[ . 1 ]" 1
51 1 6 THR HB 1 7 MET HA 4.500 . 5.000 4.304 4.244 4.393 . 0 0 "[ . 1 ]" 1
52 1 6 THR HB 1 7 MET H 4.500 . 5.000 3.024 2.451 3.290 . 0 0 "[ . 1 ]" 1
53 1 6 THR H 1 7 MET HG3 4.500 . 5.000 3.945 3.174 4.911 . 0 0 "[ . 1 ]" 1
54 1 6 THR H 1 7 MET H 3.500 . 4.500 4.120 3.863 4.473 . 0 0 "[ . 1 ]" 1
55 1 6 THR HA 1 7 MET H 2.300 . 2.800 2.223 2.120 2.369 . 0 0 "[ . 1 ]" 1
56 1 6 THR MG 1 7 MET H 4.500 . 5.000 3.606 3.377 3.748 . 0 0 "[ . 1 ]" 1
57 1 7 MET HA 1 7 MET HB3 2.300 . 2.600 2.517 2.378 2.577 . 0 0 "[ . 1 ]" 1
58 1 7 MET HA 1 7 MET HB2 3.000 . 3.300 3.014 3.000 3.025 . 0 0 "[ . 1 ]" 1
59 1 7 MET HA 1 7 MET HG2 3.000 . 3.300 2.537 2.384 2.865 . 0 0 "[ . 1 ]" 1
60 1 7 MET H 1 7 MET HA 2.300 . 3.000 2.944 2.938 2.948 . 0 0 "[ . 1 ]" 1
61 1 7 MET H 1 7 MET HB3 3.500 . 4.000 3.735 3.698 3.836 . 0 0 "[ . 1 ]" 1
62 1 7 MET H 1 7 MET HB2 2.300 . 3.000 2.593 2.513 2.817 . 0 0 "[ . 1 ]" 1
63 1 7 MET H 1 7 MET HG3 3.000 . 3.300 3.094 2.646 3.345 0.045 9 0 "[ . 1 ]" 1
64 1 7 MET H 1 7 MET HG2 3.500 . 4.200 4.144 3.939 4.270 0.070 9 0 "[ . 1 ]" 1
65 1 7 MET H 1 8 LEU HG 4.500 . 6.200 6.253 6.184 6.340 0.140 11 0 "[ . 1 ]" 1
66 1 7 MET HA 1 9 ARG H 4.500 . 5.000 4.388 3.415 5.012 0.012 11 0 "[ . 1 ]" 1
67 1 7 MET H 1 9 ARG QG 4.500 . 5.500 3.710 2.734 5.227 . 0 0 "[ . 1 ]" 1
68 1 6 THR HA 1 8 LEU H 3.500 . 4.500 4.182 3.508 4.514 0.014 1 0 "[ . 1 ]" 1
69 1 6 THR MG 1 8 LEU H 4.500 . 5.500 4.749 3.859 5.414 . 0 0 "[ . 1 ]" 1
70 1 7 MET HA 1 8 LEU H 3.000 . 3.700 3.514 3.390 3.583 . 0 0 "[ . 1 ]" 1
71 1 7 MET HB3 1 8 LEU H 3.500 . 4.000 3.420 2.872 4.062 0.062 2 0 "[ . 1 ]" 1
72 1 7 MET HB2 1 8 LEU H 3.500 . 4.000 2.554 2.185 3.227 . 0 0 "[ . 1 ]" 1
73 1 7 MET HG3 1 8 LEU H 3.500 . 4.500 4.338 3.836 4.520 0.020 12 0 "[ . 1 ]" 1
74 1 7 MET HG2 1 8 LEU H 4.500 . 5.500 4.937 4.715 5.295 . 0 0 "[ . 1 ]" 1
75 1 8 LEU HA 1 8 LEU HB3 3.000 . 3.300 3.001 2.982 3.018 . 0 0 "[ . 1 ]" 1
76 1 8 LEU HA 1 8 LEU HB2 3.000 . 3.300 2.377 2.308 2.550 . 0 0 "[ . 1 ]" 1
77 1 8 LEU HA 1 8 LEU HG 3.000 . 3.500 3.248 2.688 3.419 . 0 0 "[ . 1 ]" 1
78 1 8 LEU HB3 1 8 LEU HG 3.000 . 3.300 2.484 2.435 2.591 . 0 0 "[ . 1 ]" 1
79 1 8 LEU H 1 8 LEU HB3 2.300 . 2.800 2.472 2.368 2.681 . 0 0 "[ . 1 ]" 1
80 1 8 LEU H 1 8 LEU HB2 3.000 . 3.500 3.016 2.314 3.340 . 0 0 "[ . 1 ]" 1
81 1 8 LEU H 1 8 LEU HG 3.500 . 4.500 4.270 4.125 4.462 . 0 0 "[ . 1 ]" 1
82 1 8 LEU H 1 8 LEU QD 4.500 . 5.200 3.817 3.560 3.908 . 0 0 "[ . 1 ]" 1
83 1 8 LEU H 1 9 ARG H 2.300 . 2.600 2.184 1.887 2.628 0.028 6 0 "[ . 1 ]" 1
84 1 6 THR MG 1 9 ARG H 3.500 . 4.500 4.298 3.618 4.583 0.083 2 0 "[ . 1 ]" 1
85 1 8 LEU HA 1 9 ARG H 3.000 . 3.500 3.381 3.310 3.482 . 0 0 "[ . 1 ]" 1
86 1 8 LEU QB 1 9 ARG H 3.500 . 4.500 3.259 2.919 3.433 . 0 0 "[ . 1 ]" 1
87 1 8 LEU HG 1 9 ARG H 3.500 . 4.500 4.124 3.762 4.514 0.014 6 0 "[ . 1 ]" 1
88 1 9 ARG HA 1 9 ARG QG 3.500 . 4.000 3.336 3.302 3.350 . 0 0 "[ . 1 ]" 1
89 1 9 ARG H 1 9 ARG HA 2.300 . 2.800 2.682 2.596 2.763 . 0 0 "[ . 1 ]" 1
90 1 9 ARG H 1 9 ARG HB3 2.300 . 2.800 2.422 2.256 2.731 . 0 0 "[ . 1 ]" 1
91 1 9 ARG H 1 9 ARG HB2 3.500 . 4.000 3.589 3.526 3.644 . 0 0 "[ . 1 ]" 1
92 1 9 ARG H 1 9 ARG QD 4.500 . 4.800 4.126 3.634 4.396 . 0 0 "[ . 1 ]" 1
93 1 9 ARG H 1 9 ARG QG 3.000 . 3.300 2.510 1.934 2.750 . 0 0 "[ . 1 ]" 1
94 1 9 ARG H 1 10 PRO HD3 4.500 . 5.000 4.837 4.357 5.179 0.179 11 0 "[ . 1 ]" 1
95 1 9 ARG H 1 10 PRO HD2 4.500 . 5.000 4.768 4.554 4.938 . 0 0 "[ . 1 ]" 1
96 1 9 ARG HA 1 10 PRO QB 4.500 . 5.500 4.601 4.490 4.797 . 0 0 "[ . 1 ]" 1
97 1 10 PRO HA 1 10 PRO HB3 2.300 . 2.800 2.293 2.257 2.315 . 0 0 "[ . 1 ]" 1
98 1 10 PRO HA 1 10 PRO QB 2.300 . 2.600 2.179 2.170 2.184 . 0 0 "[ . 1 ]" 1
99 1 10 PRO HA 1 11 ARG H 3.000 . 3.300 2.279 2.170 2.519 . 0 0 "[ . 1 ]" 1
100 1 10 PRO QB 1 11 ARG H 3.000 . 3.500 2.835 2.240 3.156 . 0 0 "[ . 1 ]" 1
101 1 10 PRO HG3 1 11 ARG H 4.500 . 5.500 5.305 4.821 5.544 0.044 3 0 "[ . 1 ]" 1
102 1 10 PRO HG2 1 11 ARG H 4.500 . 5.500 4.676 4.061 5.103 . 0 0 "[ . 1 ]" 1
103 1 11 ARG HA 1 11 ARG HB3 2.300 . 2.800 2.530 2.420 2.607 . 0 0 "[ . 1 ]" 1
104 1 11 ARG H 1 11 ARG HA 2.300 . 3.000 2.935 2.918 2.946 . 0 0 "[ . 1 ]" 1
105 1 11 ARG H 1 11 ARG HB3 3.500 . 4.000 3.720 3.606 3.860 . 0 0 "[ . 1 ]" 1
106 1 11 ARG H 1 11 ARG HB2 2.300 . 2.800 2.574 2.378 2.802 0.002 7 0 "[ . 1 ]" 1
107 1 11 ARG H 1 12 LEU H 4.500 . 4.800 4.457 4.356 4.540 . 0 0 "[ . 1 ]" 1
108 1 11 ARG QB 1 87 LEU MD1 4.500 . 6.000 4.177 3.865 4.279 . 0 0 "[ . 1 ]" 1
109 1 11 ARG H 1 87 LEU MD1 4.500 . 5.500 3.531 2.723 3.999 . 0 0 "[ . 1 ]" 1
110 1 11 ARG HB3 1 88 VAL MG2 4.500 . 5.500 4.131 3.158 4.836 . 0 0 "[ . 1 ]" 1
111 1 11 ARG H 1 88 VAL QG 4.500 . 5.500 3.741 3.255 4.057 . 0 0 "[ . 1 ]" 1
112 1 11 ARG H 1 88 VAL H 3.500 . 4.000 3.731 3.309 4.012 0.012 11 0 "[ . 1 ]" 1
113 1 11 ARG H 1 89 VAL H 4.500 . 4.800 4.659 4.519 4.812 0.012 6 0 "[ . 1 ]" 1
114 1 11 ARG H 1 89 VAL QG 3.500 . 4.500 3.215 2.710 3.664 . 0 0 "[ . 1 ]" 1
115 1 11 ARG HA 1 12 LEU H 2.300 . 2.600 2.273 2.197 2.482 . 0 0 "[ . 1 ]" 1
116 1 11 ARG HB3 1 12 LEU H 2.300 . 3.000 2.826 2.218 3.017 0.017 3 0 "[ . 1 ]" 1
117 1 11 ARG HB2 1 12 LEU H 3.500 . 4.200 3.959 3.533 4.170 . 0 0 "[ . 1 ]" 1
118 1 12 LEU QB 1 12 LEU MD2 3.000 . 3.300 2.046 1.996 2.098 . 0 0 "[ . 1 ]" 1
119 1 12 LEU H 1 12 LEU HA 2.300 . 3.000 2.914 2.867 2.938 . 0 0 "[ . 1 ]" 1
120 1 12 LEU H 1 12 LEU QB 2.300 . 2.600 2.310 2.258 2.398 . 0 0 "[ . 1 ]" 1
121 1 12 LEU H 1 12 LEU MD1 4.500 . 5.500 4.231 4.038 4.316 . 0 0 "[ . 1 ]" 1
122 1 12 LEU H 1 12 LEU MD2 4.500 . 5.500 4.271 4.189 4.436 . 0 0 "[ . 1 ]" 1
123 1 12 LEU H 1 12 LEU HG 3.500 . 4.500 4.425 4.358 4.510 0.010 11 0 "[ . 1 ]" 1
124 1 12 LEU H 1 13 CYS HA 4.500 . 5.500 5.223 5.075 5.408 . 0 0 "[ . 1 ]" 1
125 1 12 LEU H 1 13 CYS H 4.500 . 4.800 4.494 4.396 4.555 . 0 0 "[ . 1 ]" 1
126 1 12 LEU QD 1 86 LEU H 4.500 . 6.500 4.218 3.811 4.619 . 0 0 "[ . 1 ]" 1
127 1 12 LEU H 1 87 LEU HA 4.500 . 5.000 4.983 4.862 5.028 0.028 6 0 "[ . 1 ]" 1
128 1 12 LEU H 1 88 VAL H 4.500 . 5.500 5.213 4.969 5.400 . 0 0 "[ . 1 ]" 1
129 1 11 ARG HA 1 13 CYS H 4.500 . 6.500 6.087 5.874 6.309 . 0 0 "[ . 1 ]" 1
130 1 11 ARG QB 1 13 CYS H 4.500 . 6.000 5.127 4.842 5.287 . 0 0 "[ . 1 ]" 1
131 1 12 LEU HA 1 13 CYS H 2.300 . 2.600 2.158 2.118 2.189 . 0 0 "[ . 1 ]" 1
132 1 12 LEU QB 1 13 CYS H 3.500 . 4.200 3.705 3.605 3.815 . 0 0 "[ . 1 ]" 1
133 1 12 LEU MD1 1 13 CYS H 3.000 . 3.500 2.474 2.046 2.965 . 0 0 "[ . 1 ]" 1
134 1 12 LEU MD2 1 13 CYS H 4.500 . 5.500 4.389 4.232 4.589 . 0 0 "[ . 1 ]" 1
135 1 12 LEU HG 1 13 CYS H 3.000 . 3.300 2.903 2.668 3.247 . 0 0 "[ . 1 ]" 1
136 1 13 CYS H 1 13 CYS HA 2.300 . 3.000 2.943 2.941 2.947 . 0 0 "[ . 1 ]" 1
137 1 13 CYS H 1 13 CYS HB3 3.000 . 3.300 2.696 2.604 2.858 . 0 0 "[ . 1 ]" 1
138 1 13 CYS H 1 13 CYS HB2 3.000 . 3.300 3.109 2.910 3.235 . 0 0 "[ . 1 ]" 1
139 1 13 CYS H 1 14 THR HB 4.500 . 6.500 6.262 6.026 6.343 . 0 0 "[ . 1 ]" 1
140 1 13 CYS QB 1 15 MET QG 4.500 . 6.000 4.673 4.281 5.377 . 0 0 "[ . 1 ]" 1
141 1 13 CYS QB 1 51 LEU MD1 4.500 . 5.500 3.821 3.055 4.449 . 0 0 "[ . 1 ]" 1
142 1 13 CYS H 1 86 LEU HA 4.500 . 5.000 4.883 4.777 4.953 . 0 0 "[ . 1 ]" 1
143 1 13 CYS H 1 86 LEU HB3 4.500 . 5.200 5.144 4.840 5.225 0.025 6 0 "[ . 1 ]" 1
144 1 13 CYS H 1 86 LEU HB2 3.500 . 4.500 4.339 4.178 4.508 0.008 5 0 "[ . 1 ]" 1
145 1 13 CYS H 1 86 LEU H 3.500 . 4.000 3.932 3.837 4.015 0.015 2 0 "[ . 1 ]" 1
146 1 13 CYS H 1 87 LEU HA 3.000 . 3.300 2.646 2.499 2.749 . 0 0 "[ . 1 ]" 1
147 1 13 CYS H 1 87 LEU H 4.500 . 4.800 4.570 4.504 4.650 . 0 0 "[ . 1 ]" 1
148 1 13 CYS QB 1 88 VAL QG 4.500 . 5.000 2.713 2.366 3.042 . 0 0 "[ . 1 ]" 1
149 1 13 CYS H 1 88 VAL QG 4.500 . 6.000 4.156 3.876 4.359 . 0 0 "[ . 1 ]" 1
150 1 13 CYS H 1 88 VAL H 3.500 . 4.000 3.838 3.595 4.000 0.000 3 0 "[ . 1 ]" 1
151 1 12 LEU HG 1 14 THR H 4.500 . 4.800 4.617 4.351 4.803 0.003 10 0 "[ . 1 ]" 1
152 1 13 CYS HA 1 14 THR HB 4.500 . 5.000 4.744 4.624 4.809 . 0 0 "[ . 1 ]" 1
153 1 13 CYS HA 1 14 THR H 2.300 . 2.600 2.193 2.143 2.219 . 0 0 "[ . 1 ]" 1
154 1 13 CYS HB3 1 14 THR H 3.500 . 4.200 4.048 3.831 4.211 0.011 3 0 "[ . 1 ]" 1
155 1 13 CYS HB2 1 14 THR H 3.500 . 4.200 4.138 4.031 4.244 0.044 9 0 "[ . 1 ]" 1
156 1 13 CYS H 1 14 THR H 3.500 . 4.500 4.382 4.333 4.433 . 0 0 "[ . 1 ]" 1
157 1 14 THR HB 1 14 THR MG 2.300 . 2.600 2.089 2.072 2.113 . 0 0 "[ . 1 ]" 1
158 1 14 THR HA 1 14 THR MG 2.300 . 3.000 2.250 2.182 2.408 . 0 0 "[ . 1 ]" 1
159 1 14 THR H 1 14 THR HA 2.300 . 3.000 2.940 2.928 2.947 . 0 0 "[ . 1 ]" 1
160 1 14 THR H 1 14 THR MG 4.500 . 4.800 3.957 3.935 3.980 . 0 0 "[ . 1 ]" 1
161 1 14 THR HB 1 15 MET HA 4.500 . 4.800 4.676 4.612 4.780 . 0 0 "[ . 1 ]" 1
162 1 14 THR H 1 15 MET HA 4.500 . 5.000 4.679 4.594 4.767 . 0 0 "[ . 1 ]" 1
163 1 14 THR H 1 15 MET QG 4.500 . 5.500 4.873 4.467 5.427 . 0 0 "[ . 1 ]" 1
164 1 14 THR H 1 15 MET H 3.500 . 4.200 3.967 3.856 4.088 . 0 0 "[ . 1 ]" 1
165 1 14 THR H 1 49 SER QB 3.500 . 3.800 2.989 2.764 3.283 . 0 0 "[ . 1 ]" 1
166 1 14 THR MG 1 85 LYS HA 3.500 . 4.200 2.890 2.605 3.217 . 0 0 "[ . 1 ]" 1
167 1 13 CYS HA 1 15 MET H 4.500 . 6.000 5.603 5.413 5.741 . 0 0 "[ . 1 ]" 1
168 1 13 CYS QB 1 15 MET H 4.500 . 6.000 5.029 4.758 5.222 . 0 0 "[ . 1 ]" 1
169 1 14 THR HA 1 15 MET HB3 4.500 . 5.200 4.858 4.680 5.005 . 0 0 "[ . 1 ]" 1
170 1 14 THR HA 1 15 MET HB2 4.500 . 6.000 5.744 5.706 5.775 . 0 0 "[ . 1 ]" 1
171 1 14 THR HA 1 15 MET H 2.300 . 2.600 2.172 2.143 2.189 . 0 0 "[ . 1 ]" 1
172 1 14 THR HB 1 15 MET H 3.500 . 4.500 4.306 4.231 4.388 . 0 0 "[ . 1 ]" 1
173 1 14 THR MG 1 15 MET H 3.500 . 4.200 3.209 3.093 3.379 . 0 0 "[ . 1 ]" 1
174 1 15 MET H 1 15 MET HB3 3.000 . 3.500 3.131 2.922 3.323 . 0 0 "[ . 1 ]" 1
175 1 15 MET H 1 15 MET HB2 3.000 . 3.700 3.688 3.628 3.733 0.033 6 0 "[ . 1 ]" 1
176 1 15 MET H 1 15 MET QG 2.300 . 2.600 2.021 1.885 2.219 . 0 0 "[ . 1 ]" 1
177 1 15 MET H 1 16 LYS HA 4.500 . 5.200 4.989 4.905 5.048 . 0 0 "[ . 1 ]" 1
178 1 15 MET H 1 16 LYS H 3.500 . 4.500 4.463 4.395 4.498 . 0 0 "[ . 1 ]" 1
179 1 15 MET H 1 83 GLU HA 4.500 . 5.500 5.288 5.143 5.493 . 0 0 "[ . 1 ]" 1
180 1 15 MET H 1 83 GLU QG 4.500 . 5.500 4.714 4.495 4.949 . 0 0 "[ . 1 ]" 1
181 1 15 MET QB 1 84 THR MG 4.500 . 6.500 4.944 4.606 5.128 . 0 0 "[ . 1 ]" 1
182 1 15 MET H 1 84 THR MG 4.500 . 5.500 4.425 4.121 4.639 . 0 0 "[ . 1 ]" 1
183 1 15 MET H 1 84 THR H 3.000 . 3.700 3.659 3.564 3.715 0.015 5 0 "[ . 1 ]" 1
184 1 15 MET H 1 85 LYS HA 3.500 . 4.000 3.755 3.427 3.916 . 0 0 "[ . 1 ]" 1
185 1 15 MET H 1 85 LYS H 4.500 . 5.200 5.187 4.916 5.237 0.037 11 0 "[ . 1 ]" 1
186 1 15 MET H 1 86 LEU H 3.500 . 3.800 3.671 3.467 3.848 0.048 9 0 "[ . 1 ]" 1
187 1 14 THR MG 1 16 LYS HA 4.500 . 6.500 4.923 4.633 5.193 . 0 0 "[ . 1 ]" 1
188 1 14 THR HB 1 16 LYS QE 4.500 . 5.700 5.304 4.599 5.659 . 0 0 "[ . 1 ]" 1
189 1 14 THR HB 1 16 LYS H 4.500 . 6.200 6.157 5.870 6.228 0.028 3 0 "[ . 1 ]" 1
190 1 14 THR MG 1 16 LYS H 4.500 . 6.500 4.995 4.617 5.217 . 0 0 "[ . 1 ]" 1
191 1 15 MET HA 1 16 LYS H 2.300 . 2.600 2.193 2.138 2.222 . 0 0 "[ . 1 ]" 1
192 1 15 MET HB3 1 16 LYS H 3.500 . 4.000 3.961 3.840 4.026 0.026 3 0 "[ . 1 ]" 1
193 1 15 MET HB2 1 16 LYS H 3.000 . 3.500 3.017 2.874 3.327 . 0 0 "[ . 1 ]" 1
194 1 15 MET QG 1 16 LYS H 4.500 . 5.000 4.138 3.810 4.400 . 0 0 "[ . 1 ]" 1
195 1 16 LYS HA 1 16 LYS QG 3.500 . 3.800 2.406 2.304 2.544 . 0 0 "[ . 1 ]" 1
196 1 16 LYS HB3 1 16 LYS QG 2.300 . 2.800 2.308 2.247 2.388 . 0 0 "[ . 1 ]" 1
197 1 16 LYS HB2 1 16 LYS QG 2.300 . 2.800 2.377 2.297 2.435 . 0 0 "[ . 1 ]" 1
198 1 16 LYS HA 1 16 LYS QE 4.500 . 5.500 4.682 4.393 4.907 . 0 0 "[ . 1 ]" 1
199 1 16 LYS QE 1 16 LYS QG 2.300 . 2.800 2.153 1.976 2.309 . 0 0 "[ . 1 ]" 1
200 1 16 LYS H 1 16 LYS HA 2.300 . 3.000 2.930 2.910 2.944 . 0 0 "[ . 1 ]" 1
201 1 16 LYS H 1 16 LYS HB3 3.500 . 4.000 3.636 3.582 3.692 . 0 0 "[ . 1 ]" 1
202 1 16 LYS H 1 16 LYS HB2 2.300 . 2.600 2.430 2.323 2.601 0.001 4 0 "[ . 1 ]" 1
203 1 16 LYS H 1 16 LYS QE 4.500 . 5.500 4.131 3.293 5.054 . 0 0 "[ . 1 ]" 1
204 1 16 LYS H 1 16 LYS QG 3.000 . 3.500 2.784 2.278 3.035 . 0 0 "[ . 1 ]" 1
205 1 16 LYS H 1 17 LYS H 3.500 . 4.500 4.418 4.254 4.514 0.014 4 0 "[ . 1 ]" 1
206 1 16 LYS H 1 45 PRO HA 3.500 . 4.200 4.104 3.867 4.215 0.015 7 0 "[ . 1 ]" 1
207 1 16 LYS H 1 45 PRO QB 3.000 . 3.300 2.539 2.049 3.106 . 0 0 "[ . 1 ]" 1
208 1 16 LYS HA 1 83 GLU HA 2.300 . 2.600 2.562 2.500 2.614 0.014 12 0 "[ . 1 ]" 1
209 1 16 LYS HA 1 83 GLU QG 4.500 . 5.200 3.895 3.573 4.182 . 0 0 "[ . 1 ]" 1
210 1 16 LYS QG 1 83 GLU QB 4.500 . 5.200 3.615 3.366 3.981 . 0 0 "[ . 1 ]" 1
211 1 16 LYS H 1 83 GLU HA 4.500 . 5.200 5.135 5.088 5.217 0.017 6 0 "[ . 1 ]" 1
212 1 16 LYS H 1 83 GLU QG 4.500 . 6.500 5.412 5.177 5.717 . 0 0 "[ . 1 ]" 1
213 1 16 LYS H 1 84 THR H 4.500 . 5.000 4.925 4.732 5.014 0.014 5 0 "[ . 1 ]" 1
214 1 16 LYS HA 1 17 LYS H 2.300 . 2.600 2.148 2.127 2.175 . 0 0 "[ . 1 ]" 1
215 1 16 LYS HB3 1 17 LYS H 3.000 . 3.500 3.352 3.100 3.537 0.037 5 0 "[ . 1 ]" 1
216 1 16 LYS HB2 1 17 LYS H 3.500 . 4.500 4.278 3.989 4.403 . 0 0 "[ . 1 ]" 1
217 1 16 LYS QG 1 17 LYS H 4.500 . 5.000 4.050 3.880 4.229 . 0 0 "[ . 1 ]" 1
218 1 17 LYS HA 1 17 LYS QG 3.500 . 3.800 3.061 2.902 3.264 . 0 0 "[ . 1 ]" 1
219 1 17 LYS H 1 17 LYS HA 2.300 . 3.000 2.791 2.730 2.858 . 0 0 "[ . 1 ]" 1
220 1 17 LYS H 1 17 LYS HB3 2.300 . 2.600 2.345 2.227 2.445 . 0 0 "[ . 1 ]" 1
221 1 17 LYS H 1 17 LYS HB2 2.300 . 3.000 2.696 2.566 2.886 . 0 0 "[ . 1 ]" 1
222 1 17 LYS H 1 17 LYS QG 3.500 . 4.500 3.949 3.877 3.993 . 0 0 "[ . 1 ]" 1
223 1 17 LYS QG 1 22 TYR H 4.500 . 6.200 5.834 5.395 6.205 0.005 11 0 "[ . 1 ]" 1
224 1 17 LYS H 1 82 ASP HA 3.000 . 3.300 3.163 2.958 3.307 0.007 3 0 "[ . 1 ]" 1
225 1 17 LYS H 1 82 ASP HB3 3.500 . 4.200 3.921 3.608 4.246 0.046 9 0 "[ . 1 ]" 1
226 1 17 LYS H 1 82 ASP HB2 4.500 . 5.200 5.038 4.586 5.201 0.001 6 0 "[ . 1 ]" 1
227 1 17 LYS H 1 83 GLU HA 3.000 . 3.700 3.498 3.357 3.598 . 0 0 "[ . 1 ]" 1
228 1 17 LYS H 1 83 GLU QB 4.500 . 6.000 5.158 5.042 5.282 . 0 0 "[ . 1 ]" 1
229 1 17 LYS H 1 83 GLU QG 4.500 . 6.200 5.306 5.048 5.521 . 0 0 "[ . 1 ]" 1
230 1 17 LYS H 1 83 GLU H 4.500 . 4.800 4.662 4.479 4.729 . 0 0 "[ . 1 ]" 1
231 1 17 LYS H 1 84 THR H 3.500 . 4.200 3.934 3.717 4.136 . 0 0 "[ . 1 ]" 1
232 1 17 LYS HA 1 18 GLY H 3.500 . 3.800 3.549 3.528 3.561 . 0 0 "[ . 1 ]" 1
233 1 17 LYS HB3 1 18 GLY H 2.300 . 2.600 2.081 1.939 2.198 . 0 0 "[ . 1 ]" 1
234 1 17 LYS HB2 1 18 GLY H 3.000 . 3.700 3.537 3.460 3.596 . 0 0 "[ . 1 ]" 1
235 1 17 LYS QG 1 18 GLY H 2.300 . 2.600 2.284 2.043 2.477 . 0 0 "[ . 1 ]" 1
236 1 17 LYS H 1 18 GLY H 3.000 . 3.500 3.236 3.018 3.358 . 0 0 "[ . 1 ]" 1
237 1 18 GLY H 1 18 GLY HA3 2.300 . 2.800 2.787 2.777 2.806 0.006 3 0 "[ . 1 ]" 1
238 1 18 GLY H 1 18 GLY HA2 2.300 . 2.800 2.296 2.294 2.298 . 0 0 "[ . 1 ]" 1
239 1 18 GLY HA3 1 19 PRO HD3 2.300 . 2.800 2.663 2.558 2.717 . 0 0 "[ . 1 ]" 1
240 1 18 GLY HA3 1 19 PRO HD2 2.300 . 2.800 2.189 2.128 2.226 . 0 0 "[ . 1 ]" 1
241 1 18 GLY HA2 1 19 PRO HD3 3.000 . 3.300 2.817 2.750 2.922 . 0 0 "[ . 1 ]" 1
242 1 18 GLY HA2 1 19 PRO HD2 3.500 . 4.000 3.363 3.315 3.459 . 0 0 "[ . 1 ]" 1
243 1 18 GLY H 1 19 PRO HD3 4.500 . 5.500 4.953 4.921 5.002 . 0 0 "[ . 1 ]" 1
244 1 18 GLY H 1 19 PRO HD2 4.500 . 5.000 4.918 4.869 4.951 . 0 0 "[ . 1 ]" 1
245 1 18 GLY H 1 21 GLY QA 4.500 . 6.500 5.009 4.340 5.612 . 0 0 "[ . 1 ]" 1
246 1 18 GLY H 1 21 GLY H 4.500 . 5.500 4.604 4.414 4.813 . 0 0 "[ . 1 ]" 1
247 1 18 GLY QA 1 19 PRO HA 4.500 . 4.800 4.028 4.026 4.032 . 0 0 "[ . 1 ]" 1
248 1 19 PRO HA 1 19 PRO HB3 2.300 . 2.600 2.313 2.311 2.316 . 0 0 "[ . 1 ]" 1
249 1 19 PRO HA 1 19 PRO HB2 2.300 . 2.800 2.680 2.677 2.686 . 0 0 "[ . 1 ]" 1
250 1 19 PRO HA 1 19 PRO QG 3.500 . 4.000 3.511 3.510 3.513 . 0 0 "[ . 1 ]" 1
251 1 19 PRO QB 1 19 PRO HD3 3.500 . 3.800 2.966 2.950 2.978 . 0 0 "[ . 1 ]" 1
252 1 19 PRO QB 1 19 PRO HD2 3.500 . 4.000 3.509 3.508 3.512 . 0 0 "[ . 1 ]" 1
253 1 19 PRO HD3 1 19 PRO HG3 3.000 . 3.300 2.288 2.285 2.291 . 0 0 "[ . 1 ]" 1
254 1 19 PRO HD3 1 19 PRO HG2 3.000 . 3.300 2.965 2.962 2.969 . 0 0 "[ . 1 ]" 1
255 1 19 PRO HD2 1 19 PRO HG2 3.000 . 3.300 2.287 2.285 2.290 . 0 0 "[ . 1 ]" 1
256 1 18 GLY QA 1 20 SER H 3.500 . 3.800 3.111 3.064 3.234 . 0 0 "[ . 1 ]" 1
257 1 20 SER HA 1 20 SER HB3 2.300 . 2.800 2.395 2.328 2.515 . 0 0 "[ . 1 ]" 1
258 1 20 SER HA 1 20 SER HB2 2.300 . 2.800 2.530 2.405 2.606 . 0 0 "[ . 1 ]" 1
259 1 20 SER H 1 20 SER HA 2.300 . 3.000 2.923 2.900 2.942 . 0 0 "[ . 1 ]" 1
260 1 20 SER H 1 20 SER QB 3.500 . 3.800 2.840 2.739 2.946 . 0 0 "[ . 1 ]" 1
261 1 17 LYS HB3 1 21 GLY H 4.500 . 5.500 5.363 5.193 5.502 0.002 12 0 "[ . 1 ]" 1
262 1 17 LYS HB2 1 21 GLY H 4.500 . 5.200 5.251 5.229 5.275 0.075 6 0 "[ . 1 ]" 1
263 1 17 LYS QG 1 21 GLY H 3.500 . 4.500 3.701 3.357 4.205 . 0 0 "[ . 1 ]" 1
264 1 19 PRO QB 1 21 GLY H 4.500 . 6.000 5.259 5.136 5.318 . 0 0 "[ . 1 ]" 1
265 1 19 PRO HA 1 21 GLY H 4.500 . 5.500 4.335 4.150 4.459 . 0 0 "[ . 1 ]" 1
266 1 20 SER HA 1 21 GLY H 3.000 . 3.700 3.502 3.493 3.510 . 0 0 "[ . 1 ]" 1
267 1 20 SER HB2 1 21 GLY H 3.500 . 4.000 3.798 3.670 4.000 . 0 0 "[ . 1 ]" 1
268 1 20 SER HB3 1 21 GLY H 3.500 . 4.200 4.133 3.968 4.215 0.015 11 0 "[ . 1 ]" 1
269 1 20 SER H 1 21 GLY H 4.500 . 4.800 2.188 2.027 2.342 . 0 0 "[ . 1 ]" 1
270 1 21 GLY H 1 21 GLY HA3 2.300 . 3.000 2.913 2.881 2.930 . 0 0 "[ . 1 ]" 1
271 1 21 GLY H 1 21 GLY HA2 2.300 . 2.600 2.348 2.310 2.375 . 0 0 "[ . 1 ]" 1
272 1 21 GLY H 1 22 TYR H 4.500 . 4.800 4.546 4.468 4.582 . 0 0 "[ . 1 ]" 1
273 1 21 GLY H 1 23 GLY H 4.500 . 6.200 6.187 5.949 6.252 0.052 3 0 "[ . 1 ]" 1
274 1 17 LYS HA 1 22 TYR HA 4.500 . 4.800 4.014 3.540 4.576 . 0 0 "[ . 1 ]" 1
275 1 17 LYS QB 1 22 TYR HA 4.500 . 6.000 5.287 4.448 5.878 . 0 0 "[ . 1 ]" 1
276 1 22 TYR H 1 22 TYR HA 2.300 . 3.000 2.930 2.885 2.945 . 0 0 "[ . 1 ]" 1
277 1 22 TYR HA 1 24 PHE H 4.500 . 4.800 4.591 4.236 4.809 0.009 10 0 "[ . 1 ]" 1
278 1 22 TYR HB3 1 24 PHE H 3.500 . 3.800 3.511 2.905 3.816 0.016 7 0 "[ . 1 ]" 1
279 1 22 TYR HB2 1 24 PHE H 3.500 . 3.800 2.521 2.373 2.687 . 0 0 "[ . 1 ]" 1
280 1 22 TYR HA 1 45 PRO QB 4.500 . 4.800 3.022 2.273 3.899 . 0 0 "[ . 1 ]" 1
281 1 21 GLY QA 1 23 GLY H 3.500 . 4.500 3.829 3.578 4.154 . 0 0 "[ . 1 ]" 1
282 1 22 TYR HA 1 23 GLY H 3.500 . 3.800 3.553 3.538 3.564 . 0 0 "[ . 1 ]" 1
283 1 22 TYR HB3 1 23 GLY H 3.500 . 4.000 3.695 3.402 3.815 . 0 0 "[ . 1 ]" 1
284 1 22 TYR HB2 1 23 GLY H 3.000 . 3.300 2.403 2.091 2.553 . 0 0 "[ . 1 ]" 1
285 1 23 GLY H 1 23 GLY HA3 3.000 . 3.300 2.902 2.840 2.936 . 0 0 "[ . 1 ]" 1
286 1 23 GLY H 1 23 GLY HA2 2.300 . 2.600 2.339 2.296 2.380 . 0 0 "[ . 1 ]" 1
287 1 23 GLY H 1 24 PHE QD 4.500 . 5.500 4.027 3.538 4.801 . 0 0 "[ . 1 ]" 1
288 1 23 GLY H 1 24 PHE H 2.300 . 2.800 2.426 2.234 2.667 . 0 0 "[ . 1 ]" 1
289 1 23 GLY H 1 41 ASP HB3 4.500 . 5.500 5.133 4.518 5.366 . 0 0 "[ . 1 ]" 1
290 1 23 GLY H 1 41 ASP HB2 4.500 . 5.500 5.303 4.880 5.516 0.016 1 0 "[ . 1 ]" 1
291 1 23 GLY QA 1 44 SER QB 3.000 . 3.300 2.073 1.837 2.285 . 0 0 "[ . 1 ]" 1
292 1 23 GLY QA 1 44 SER H 4.500 . 6.000 5.041 4.529 5.315 . 0 0 "[ . 1 ]" 1
293 1 23 GLY H 1 45 PRO QD 4.500 . 5.500 4.508 4.179 4.764 . 0 0 "[ . 1 ]" 1
294 1 23 GLY H 1 46 ALA MB 4.500 . 6.200 4.646 4.222 5.022 . 0 0 "[ . 1 ]" 1
295 1 23 GLY HA3 1 24 PHE H 3.000 . 3.500 3.431 3.262 3.517 0.017 9 0 "[ . 1 ]" 1
296 1 23 GLY HA2 1 24 PHE H 3.000 . 3.500 3.108 2.947 3.353 . 0 0 "[ . 1 ]" 1
297 1 24 PHE HA 1 24 PHE HB3 2.300 . 2.600 2.447 2.372 2.530 . 0 0 "[ . 1 ]" 1
298 1 24 PHE HA 1 24 PHE HB2 2.300 . 2.600 2.438 2.356 2.521 . 0 0 "[ . 1 ]" 1
299 1 24 PHE H 1 24 PHE HA 2.300 . 3.000 2.923 2.848 2.951 . 0 0 "[ . 1 ]" 1
300 1 24 PHE H 1 24 PHE HB3 3.000 . 3.300 3.220 3.070 3.395 0.095 5 0 "[ . 1 ]" 1
301 1 24 PHE H 1 24 PHE HB2 3.500 . 4.000 3.867 3.757 4.039 0.039 12 0 "[ . 1 ]" 1
302 1 24 PHE H 1 24 PHE QD 3.000 . 3.300 2.336 1.780 3.214 0.020 4 0 "[ . 1 ]" 1
303 1 24 PHE H 1 25 ASN H 3.500 . 4.500 4.410 4.348 4.454 . 0 0 "[ . 1 ]" 1
304 1 24 PHE HA 1 40 VAL HA 3.500 . 4.000 2.121 1.965 2.313 . 0 0 "[ . 1 ]" 1
305 1 24 PHE HA 1 40 VAL MG1 4.500 . 5.000 3.574 3.359 3.744 . 0 0 "[ . 1 ]" 1
306 1 24 PHE H 1 40 VAL QG 4.500 . 6.500 4.747 4.467 5.088 . 0 0 "[ . 1 ]" 1
307 1 24 PHE H 1 41 ASP HB3 4.500 . 5.200 5.049 4.647 5.198 . 0 0 "[ . 1 ]" 1
308 1 24 PHE H 1 41 ASP HB2 4.500 . 5.200 4.904 4.420 5.195 . 0 0 "[ . 1 ]" 1
309 1 24 PHE H 1 41 ASP H 4.500 . 4.800 4.552 4.278 4.703 . 0 0 "[ . 1 ]" 1
310 1 24 PHE H 1 44 SER QB 4.500 . 5.500 4.947 4.746 5.050 . 0 0 "[ . 1 ]" 1
311 1 24 PHE QB 1 46 ALA MB 4.500 . 4.800 2.484 2.160 2.758 . 0 0 "[ . 1 ]" 1
312 1 24 PHE H 1 46 ALA MB 4.500 . 4.800 3.890 3.596 4.073 . 0 0 "[ . 1 ]" 1
313 1 24 PHE HB3 1 51 LEU MD1 4.500 . 5.000 2.975 2.499 3.711 . 0 0 "[ . 1 ]" 1
314 1 24 PHE HB3 1 51 LEU MD2 4.500 . 4.800 3.048 2.496 3.418 . 0 0 "[ . 1 ]" 1
315 1 24 PHE HB2 1 51 LEU MD1 4.500 . 5.500 3.427 2.812 4.042 . 0 0 "[ . 1 ]" 1
316 1 24 PHE HB2 1 51 LEU MD2 4.500 . 4.800 3.143 2.808 3.463 . 0 0 "[ . 1 ]" 1
317 1 24 PHE HA 1 25 ASN H 2.300 . 2.600 2.549 2.466 2.609 0.009 11 0 "[ . 1 ]" 1
318 1 24 PHE HB3 1 25 ASN H 3.000 . 3.500 3.547 3.424 3.621 0.121 3 0 "[ . 1 ]" 1
319 1 24 PHE HB2 1 25 ASN H 2.300 . 2.600 2.069 1.949 2.171 . 0 0 "[ . 1 ]" 1
320 1 24 PHE QD 1 25 ASN H 3.500 . 4.000 3.307 2.754 3.696 . 0 0 "[ . 1 ]" 1
321 1 25 ASN HA 1 25 ASN HB3 3.000 . 3.300 2.524 2.490 2.607 . 0 0 "[ . 1 ]" 1
322 1 25 ASN HA 1 25 ASN HB2 3.000 . 3.300 3.017 3.006 3.021 . 0 0 "[ . 1 ]" 1
323 1 25 ASN HA 1 25 ASN HD21 3.500 . 3.800 1.805 1.789 1.833 0.011 5 0 "[ . 1 ]" 1
324 1 25 ASN HB3 1 25 ASN HD21 3.000 . 3.500 3.123 3.056 3.312 . 0 0 "[ . 1 ]" 1
325 1 25 ASN HB2 1 25 ASN HD21 3.000 . 3.300 3.395 3.300 3.425 0.125 3 0 "[ . 1 ]" 1
326 1 25 ASN HA 1 25 ASN HD22 3.500 . 3.800 3.443 3.360 3.487 . 0 0 "[ . 1 ]" 1
327 1 25 ASN HB3 1 25 ASN HD22 3.500 . 4.200 3.876 3.843 3.966 . 0 0 "[ . 1 ]" 1
328 1 25 ASN HB2 1 25 ASN HD22 3.500 . 4.000 4.005 3.958 4.021 0.021 10 0 "[ . 1 ]" 1
329 1 25 ASN H 1 25 ASN HA 2.300 . 3.000 2.940 2.934 2.947 . 0 0 "[ . 1 ]" 1
330 1 25 ASN H 1 25 ASN QB 3.000 . 3.300 2.615 2.488 2.704 . 0 0 "[ . 1 ]" 1
331 1 25 ASN H 1 26 LEU MD1 4.500 . 6.200 3.962 3.257 5.013 . 0 0 "[ . 1 ]" 1
332 1 25 ASN H 1 26 LEU MD2 4.500 . 5.000 3.460 3.230 3.745 . 0 0 "[ . 1 ]" 1
333 1 25 ASN H 1 37 ILE MD 4.500 . 6.000 4.653 4.333 4.920 . 0 0 "[ . 1 ]" 1
334 1 25 ASN H 1 37 ILE MG 3.500 . 3.800 2.649 2.371 2.804 . 0 0 "[ . 1 ]" 1
335 1 25 ASN HD21 1 38 ARG QG 4.500 . 5.200 4.485 4.431 4.647 . 0 0 "[ . 1 ]" 1
336 1 25 ASN HD22 1 38 ARG QG 4.500 . 5.700 5.087 5.004 5.208 . 0 0 "[ . 1 ]" 1
337 1 25 ASN H 1 38 ARG QG 3.500 . 4.500 3.795 3.610 3.916 . 0 0 "[ . 1 ]" 1
338 1 25 ASN HD21 1 39 SER QB 3.500 . 4.500 4.340 4.197 4.505 0.005 8 0 "[ . 1 ]" 1
339 1 25 ASN HD22 1 39 SER QB 4.500 . 4.800 4.206 3.989 4.510 . 0 0 "[ . 1 ]" 1
340 1 25 ASN H 1 39 SER QB 3.500 . 3.800 3.604 3.435 3.806 0.006 7 0 "[ . 1 ]" 1
341 1 25 ASN H 1 39 SER H 2.300 . 2.800 2.761 2.576 2.859 0.059 9 0 "[ . 1 ]" 1
342 1 25 ASN H 1 40 VAL HA 3.500 . 4.000 3.489 3.362 3.576 . 0 0 "[ . 1 ]" 1
343 1 25 ASN H 1 40 VAL QG 4.500 . 5.500 3.620 3.466 3.772 . 0 0 "[ . 1 ]" 1
344 1 25 ASN H 1 40 VAL H 4.500 . 5.000 4.830 4.702 4.974 . 0 0 "[ . 1 ]" 1
345 1 25 ASN H 1 41 ASP H 4.500 . 5.200 5.157 5.073 5.210 0.010 5 0 "[ . 1 ]" 1
346 1 24 PHE QD 1 26 LEU QD 4.500 . 5.000 2.435 1.817 2.982 . 0 0 "[ . 1 ]" 1
347 1 24 PHE QE 1 26 LEU QD 4.500 . 5.200 2.333 1.793 2.891 0.007 8 0 "[ . 1 ]" 1
348 1 24 PHE HZ 1 26 LEU QD 4.500 . 5.500 3.293 2.588 3.825 . 0 0 "[ . 1 ]" 1
349 1 25 ASN HA 1 26 LEU H 2.300 . 2.600 2.375 2.313 2.441 . 0 0 "[ . 1 ]" 1
350 1 25 ASN HB3 1 26 LEU H 3.000 . 3.300 2.573 2.422 2.708 . 0 0 "[ . 1 ]" 1
351 1 25 ASN HB2 1 26 LEU H 3.500 . 3.800 3.780 3.695 3.843 0.043 3 0 "[ . 1 ]" 1
352 1 26 LEU HA 1 26 LEU HB3 3.000 . 3.500 2.486 2.375 2.607 . 0 0 "[ . 1 ]" 1
353 1 26 LEU HA 1 26 LEU HB2 3.000 . 3.500 3.010 2.992 3.019 . 0 0 "[ . 1 ]" 1
354 1 26 LEU HA 1 26 LEU MD1 2.300 . 2.800 1.992 1.921 2.212 . 0 0 "[ . 1 ]" 1
355 1 26 LEU HB2 1 26 LEU QD 3.000 . 3.300 2.162 2.101 2.288 . 0 0 "[ . 1 ]" 1
356 1 26 LEU HA 1 26 LEU QD 3.000 . 3.300 1.960 1.903 2.093 . 0 0 "[ . 1 ]" 1
357 1 26 LEU H 1 26 LEU HA 2.300 . 3.000 2.939 2.932 2.947 . 0 0 "[ . 1 ]" 1
358 1 26 LEU H 1 26 LEU HB3 3.500 . 3.800 3.796 3.684 3.845 0.045 12 0 "[ . 1 ]" 1
359 1 26 LEU H 1 26 LEU HB2 2.300 . 2.800 2.703 2.541 2.826 0.026 10 0 "[ . 1 ]" 1
360 1 26 LEU H 1 26 LEU QD 3.500 . 4.000 2.375 2.183 2.645 . 0 0 "[ . 1 ]" 1
361 1 26 LEU H 1 27 HIS H 4.500 . 4.800 4.379 4.317 4.432 . 0 0 "[ . 1 ]" 1
362 1 26 LEU QD 1 37 ILE MD 4.500 . 5.500 3.026 2.772 3.223 . 0 0 "[ . 1 ]" 1
363 1 26 LEU HA 1 27 HIS H 2.300 . 2.600 2.194 2.137 2.254 . 0 0 "[ . 1 ]" 1
364 1 26 LEU HB3 1 27 HIS H 3.000 . 3.300 2.972 2.776 3.214 . 0 0 "[ . 1 ]" 1
365 1 26 LEU HB2 1 27 HIS H 3.500 . 4.500 4.015 3.722 4.145 . 0 0 "[ . 1 ]" 1
366 1 26 LEU MD1 1 27 HIS H 3.500 . 4.200 3.222 2.697 3.657 . 0 0 "[ . 1 ]" 1
367 1 26 LEU MD2 1 27 HIS H 4.500 . 5.700 4.709 4.332 4.904 . 0 0 "[ . 1 ]" 1
368 1 27 HIS H 1 27 HIS HA 2.300 . 3.000 2.930 2.914 2.936 . 0 0 "[ . 1 ]" 1
369 1 27 HIS H 1 27 HIS QB 3.000 . 3.500 3.033 3.006 3.093 . 0 0 "[ . 1 ]" 1
370 1 27 HIS H 1 28 SER QB 4.500 . 5.500 4.579 4.268 5.127 . 0 0 "[ . 1 ]" 1
371 1 27 HIS H 1 35 GLN HE21 4.500 . 6.000 5.720 3.689 6.027 0.027 11 0 "[ . 1 ]" 1
372 1 27 HIS H 1 35 GLN HE22 4.500 . 5.200 5.041 4.563 5.218 0.018 9 0 "[ . 1 ]" 1
373 1 27 HIS H 1 36 PHE QB 4.500 . 4.800 3.805 3.342 4.155 . 0 0 "[ . 1 ]" 1
374 1 27 HIS H 1 36 PHE QD 4.500 . 6.000 5.303 4.873 5.659 . 0 0 "[ . 1 ]" 1
375 1 27 HIS H 1 37 ILE HA 3.500 . 3.800 3.336 2.991 3.627 . 0 0 "[ . 1 ]" 1
376 1 27 HIS H 1 37 ILE H 4.500 . 5.000 4.792 4.606 5.013 0.013 1 0 "[ . 1 ]" 1
377 1 27 HIS H 1 37 ILE QG 4.500 . 6.000 5.068 4.815 5.321 . 0 0 "[ . 1 ]" 1
378 1 27 HIS QB 1 38 ARG QB 4.500 . 5.000 1.946 1.837 2.098 . 0 0 "[ . 1 ]" 1
379 1 27 HIS H 1 38 ARG HB3 3.500 . 4.500 3.119 3.088 3.171 . 0 0 "[ . 1 ]" 1
380 1 27 HIS H 1 38 ARG HB2 4.500 . 4.800 4.857 4.829 4.897 0.097 10 0 "[ . 1 ]" 1
381 1 27 HIS H 1 38 ARG QG 4.500 . 4.800 4.034 3.889 4.158 . 0 0 "[ . 1 ]" 1
382 1 27 HIS H 1 38 ARG QD 4.500 . 5.000 4.323 3.888 4.967 . 0 0 "[ . 1 ]" 1
383 1 28 SER HA 1 28 SER HB3 3.000 . 3.500 3.023 3.013 3.029 . 0 0 "[ . 1 ]" 1
384 1 28 SER HA 1 28 SER HB2 3.000 . 3.500 2.504 2.459 2.569 . 0 0 "[ . 1 ]" 1
385 1 28 SER QB 1 29 ASP HA 4.500 . 5.500 4.427 4.300 4.556 . 0 0 "[ . 1 ]" 1
386 1 28 SER HA 1 29 ASP H 2.300 . 2.600 2.290 2.150 2.429 . 0 0 "[ . 1 ]" 1
387 1 28 SER HB3 1 29 ASP H 3.500 . 3.800 3.695 3.340 3.842 0.042 4 0 "[ . 1 ]" 1
388 1 28 SER HB2 1 29 ASP H 3.500 . 4.000 3.962 3.818 4.053 0.053 4 0 "[ . 1 ]" 1
389 1 29 ASP HA 1 29 ASP HB3 3.000 . 3.300 3.025 3.010 3.029 . 0 0 "[ . 1 ]" 1
390 1 29 ASP HA 1 29 ASP HB2 2.300 . 2.600 2.488 2.435 2.601 0.001 4 0 "[ . 1 ]" 1
391 1 29 ASP H 1 29 ASP HA 2.300 . 3.000 2.943 2.940 2.948 . 0 0 "[ . 1 ]" 1
392 1 29 ASP H 1 29 ASP HB3 3.000 . 3.300 2.725 2.604 2.893 . 0 0 "[ . 1 ]" 1
393 1 29 ASP H 1 29 ASP HB2 3.000 . 3.300 3.079 2.711 3.213 . 0 0 "[ . 1 ]" 1
394 1 29 ASP H 1 36 PHE QD 4.500 . 6.000 4.718 2.528 5.911 . 0 0 "[ . 1 ]" 1
395 1 29 ASP H 1 36 PHE QE 4.500 . 6.000 4.417 2.403 6.003 0.003 5 0 "[ . 1 ]" 1
396 1 30 LYS HA 1 30 LYS QB 2.300 . 2.800 2.401 2.268 2.454 . 0 0 "[ . 1 ]" 1
397 1 30 LYS HA 1 30 LYS QG 3.000 . 3.300 2.785 2.648 3.021 . 0 0 "[ . 1 ]" 1
398 1 30 LYS QB 1 30 LYS QG 2.300 . 2.600 2.008 1.983 2.016 . 0 0 "[ . 1 ]" 1
399 1 30 LYS HA 1 31 SER H 3.000 . 3.300 2.442 2.274 2.556 . 0 0 "[ . 1 ]" 1
400 1 30 LYS QB 1 31 SER H 3.000 . 3.500 2.368 2.134 2.829 . 0 0 "[ . 1 ]" 1
401 1 30 LYS QD 1 31 SER H 3.500 . 4.500 3.299 2.862 4.487 . 0 0 "[ . 1 ]" 1
402 1 30 LYS QG 1 31 SER H 4.500 . 5.000 4.189 4.040 4.614 . 0 0 "[ . 1 ]" 1
403 1 31 SER HA 1 31 SER QB 2.300 . 2.800 2.365 2.274 2.446 . 0 0 "[ . 1 ]" 1
404 1 31 SER H 1 31 SER HA 2.300 . 3.000 2.934 2.907 2.943 . 0 0 "[ . 1 ]" 1
405 1 31 SER H 1 31 SER QB 3.000 . 3.300 2.513 2.312 2.706 . 0 0 "[ . 1 ]" 1
406 1 31 SER QB 1 32 LYS H 4.500 . 4.800 3.619 2.894 3.748 . 0 0 "[ . 1 ]" 1
407 1 31 SER H 1 32 LYS QG 4.500 . 4.800 3.423 2.988 3.891 . 0 0 "[ . 1 ]" 1
408 1 31 SER H 1 32 LYS H 2.300 . 2.800 2.486 2.054 2.662 . 0 0 "[ . 1 ]" 1
409 1 30 LYS HA 1 32 LYS H 3.500 . 4.200 4.096 3.835 4.326 0.126 4 0 "[ . 1 ]" 1
410 1 30 LYS QG 1 32 LYS H 4.500 . 5.200 4.454 4.325 4.721 . 0 0 "[ . 1 ]" 1
411 1 31 SER HA 1 32 LYS H 2.300 . 3.000 3.080 3.023 3.399 0.399 4 0 "[ . 1 ]" 1
412 1 32 LYS H 1 32 LYS HA 2.300 . 3.000 2.938 2.932 2.943 . 0 0 "[ . 1 ]" 1
413 1 32 LYS H 1 32 LYS QB 3.000 . 3.300 2.538 2.418 2.734 . 0 0 "[ . 1 ]" 1
414 1 32 LYS H 1 32 LYS HG3 3.000 . 3.300 2.911 2.572 3.204 . 0 0 "[ . 1 ]" 1
415 1 32 LYS H 1 32 LYS HG2 3.500 . 4.500 3.771 3.322 4.263 . 0 0 "[ . 1 ]" 1
416 1 32 LYS H 1 33 PRO HA 4.500 . 5.000 4.989 4.964 5.024 0.024 11 0 "[ . 1 ]" 1
417 1 32 LYS H 1 33 PRO HD3 3.500 . 3.800 2.137 1.980 2.457 . 0 0 "[ . 1 ]" 1
418 1 32 LYS H 1 33 PRO HD2 2.300 . 2.600 2.012 1.846 2.385 . 0 0 "[ . 1 ]" 1
419 1 32 LYS H 1 33 PRO HG3 3.500 . 4.500 4.327 4.242 4.508 0.008 12 0 "[ . 1 ]" 1
420 1 32 LYS H 1 33 PRO HG2 4.500 . 4.800 4.114 4.002 4.400 . 0 0 "[ . 1 ]" 1
421 1 30 LYS HA 1 33 PRO QD 4.500 . 4.800 4.155 3.729 4.368 . 0 0 "[ . 1 ]" 1
422 1 33 PRO HA 1 33 PRO HB3 2.300 . 2.600 2.282 2.257 2.305 . 0 0 "[ . 1 ]" 1
423 1 33 PRO HA 1 33 PRO QG 3.500 . 4.000 2.989 2.856 3.113 . 0 0 "[ . 1 ]" 1
424 1 33 PRO HA 1 33 PRO QD 3.500 . 4.000 3.429 3.348 3.478 . 0 0 "[ . 1 ]" 1
425 1 33 PRO QD 1 33 PRO QG 2.300 . 2.600 1.973 1.966 1.992 . 0 0 "[ . 1 ]" 1
426 1 32 LYS QB 1 34 GLY H 4.500 . 5.700 5.027 4.884 5.126 . 0 0 "[ . 1 ]" 1
427 1 33 PRO HA 1 34 GLY H 3.500 . 4.000 3.570 3.542 3.579 . 0 0 "[ . 1 ]" 1
428 1 33 PRO HB3 1 34 GLY H 3.500 . 3.800 3.572 3.438 3.716 . 0 0 "[ . 1 ]" 1
429 1 33 PRO HB2 1 34 GLY H 2.300 . 2.600 2.045 1.858 2.245 . 0 0 "[ . 1 ]" 1
430 1 33 PRO QG 1 34 GLY H 3.500 . 4.000 3.386 3.180 3.609 . 0 0 "[ . 1 ]" 1
431 1 33 PRO QD 1 34 GLY H 3.500 . 3.800 2.586 2.241 2.959 . 0 0 "[ . 1 ]" 1
432 1 34 GLY H 1 34 GLY HA3 2.300 . 3.000 2.878 2.307 2.953 . 0 0 "[ . 1 ]" 1
433 1 34 GLY H 1 34 GLY HA2 2.300 . 2.800 2.611 2.441 2.671 . 0 0 "[ . 1 ]" 1
434 1 34 GLY H 1 35 GLN H 3.500 . 4.500 4.410 4.326 4.491 . 0 0 "[ . 1 ]" 1
435 1 34 GLY H 1 36 PHE QD 4.500 . 6.000 5.288 4.158 6.065 0.065 4 0 "[ . 1 ]" 1
436 1 34 GLY H 1 36 PHE QE 3.500 . 4.500 3.704 2.196 4.496 . 0 0 "[ . 1 ]" 1
437 1 34 GLY H 1 36 PHE HZ 4.500 . 4.800 3.809 3.145 4.821 0.021 4 0 "[ . 1 ]" 1
438 1 34 GLY H 1 67 GLY QA 4.500 . 5.700 4.392 3.296 5.603 . 0 0 "[ . 1 ]" 1
439 1 34 GLY HA3 1 35 GLN H 2.300 . 2.600 2.332 2.191 2.847 0.247 4 0 "[ . 1 ]" 1
440 1 34 GLY HA2 1 35 GLN H 2.300 . 3.000 2.832 2.057 3.032 0.032 5 0 "[ . 1 ]" 1
441 1 35 GLN HB3 1 35 GLN HE21 3.500 . 4.000 3.637 3.360 3.967 . 0 0 "[ . 1 ]" 1
442 1 35 GLN HB2 1 35 GLN HE21 3.500 . 4.000 2.355 1.899 3.345 . 0 0 "[ . 1 ]" 1
443 1 35 GLN HE21 1 35 GLN HG3 3.500 . 3.800 3.427 2.401 3.554 . 0 0 "[ . 1 ]" 1
444 1 35 GLN HB3 1 35 GLN HE22 4.500 . 5.000 4.901 4.795 5.032 0.032 5 0 "[ . 1 ]" 1
445 1 35 GLN HB2 1 35 GLN HE22 4.500 . 4.800 3.603 3.388 3.961 . 0 0 "[ . 1 ]" 1
446 1 35 GLN HE22 1 35 GLN HG3 3.500 . 4.200 4.037 3.548 4.101 . 0 0 "[ . 1 ]" 1
447 1 35 GLN H 1 35 GLN HA 2.300 . 3.000 2.931 2.894 2.947 . 0 0 "[ . 1 ]" 1
448 1 35 GLN H 1 35 GLN HB3 2.300 . 2.600 2.550 2.433 2.659 0.059 4 0 "[ . 1 ]" 1
449 1 35 GLN H 1 35 GLN HB2 3.000 . 3.300 2.931 2.734 3.384 0.084 4 0 "[ . 1 ]" 1
450 1 35 GLN H 1 35 GLN QG 3.500 . 4.500 4.044 3.959 4.120 . 0 0 "[ . 1 ]" 1
451 1 35 GLN H 1 35 GLN HE21 4.500 . 6.000 5.031 4.393 5.731 . 0 0 "[ . 1 ]" 1
452 1 35 GLN H 1 36 PHE QD 4.500 . 5.500 4.187 3.479 4.592 . 0 0 "[ . 1 ]" 1
453 1 35 GLN H 1 36 PHE QE 4.500 . 5.200 4.177 3.197 4.685 . 0 0 "[ . 1 ]" 1
454 1 35 GLN H 1 36 PHE H 4.500 . 4.800 4.443 4.171 4.576 . 0 0 "[ . 1 ]" 1
455 1 35 GLN H 1 57 ILE HB 3.500 . 4.000 3.314 2.500 4.012 0.012 4 0 "[ . 1 ]" 1
456 1 35 GLN QE 1 70 HIS HB3 4.500 . 6.000 4.746 3.991 5.740 . 0 0 "[ . 1 ]" 1
457 1 35 GLN QE 1 70 HIS HB2 4.500 . 5.200 3.817 2.652 4.993 . 0 0 "[ . 1 ]" 1
458 1 35 GLN HE21 1 70 HIS HA 3.500 . 3.800 2.927 2.125 3.833 0.033 5 0 "[ . 1 ]" 1
459 1 35 GLN HE22 1 70 HIS HA 3.500 . 4.500 3.410 1.976 4.516 0.016 11 0 "[ . 1 ]" 1
460 1 35 GLN HE21 1 73 VAL QG 4.500 . 4.800 3.063 2.124 4.243 . 0 0 "[ . 1 ]" 1
461 1 35 GLN HE22 1 73 VAL QG 4.500 . 6.200 4.172 3.381 5.337 . 0 0 "[ . 1 ]" 1
462 1 35 GLN H 1 73 VAL QG 3.500 . 4.200 3.342 2.587 4.297 0.097 4 0 "[ . 1 ]" 1
463 1 35 GLN QE 1 74 VAL QG 4.500 . 5.200 3.414 2.140 3.976 . 0 0 "[ . 1 ]" 1
464 1 26 LEU QD 1 36 PHE HA 4.500 . 6.000 4.043 3.270 4.694 . 0 0 "[ . 1 ]" 1
465 1 26 LEU QD 1 36 PHE H 4.500 . 6.000 4.062 3.014 4.882 . 0 0 "[ . 1 ]" 1
466 1 27 HIS H 1 36 PHE H 3.500 . 3.800 3.507 3.268 3.692 . 0 0 "[ . 1 ]" 1
467 1 35 GLN HA 1 36 PHE H 2.300 . 2.600 2.208 2.155 2.295 . 0 0 "[ . 1 ]" 1
468 1 35 GLN QB 1 36 PHE H 3.500 . 4.000 3.657 3.482 3.944 . 0 0 "[ . 1 ]" 1
469 1 35 GLN QE 1 36 PHE H 4.500 . 5.000 3.951 2.704 4.641 . 0 0 "[ . 1 ]" 1
470 1 35 GLN QG 1 36 PHE H 3.500 . 3.800 2.718 2.189 3.355 . 0 0 "[ . 1 ]" 1
471 1 36 PHE H 1 36 PHE HA 2.300 . 3.000 2.945 2.936 2.951 . 0 0 "[ . 1 ]" 1
472 1 36 PHE H 1 36 PHE QB 3.000 . 3.500 2.747 2.518 2.859 . 0 0 "[ . 1 ]" 1
473 1 36 PHE H 1 36 PHE QD 3.000 . 3.500 3.073 2.085 3.511 0.011 2 0 "[ . 1 ]" 1
474 1 36 PHE H 1 36 PHE QE 4.500 . 5.200 4.678 4.251 4.888 . 0 0 "[ . 1 ]" 1
475 1 36 PHE H 1 37 ILE H 3.500 . 4.500 4.461 4.378 4.536 0.036 11 0 "[ . 1 ]" 1
476 1 24 PHE QD 1 37 ILE MD 4.500 . 4.800 2.843 1.894 4.439 . 0 0 "[ . 1 ]" 1
477 1 26 LEU MD1 1 37 ILE HA 3.500 . 3.800 1.938 1.802 2.108 . 0 0 "[ . 1 ]" 1
478 1 26 LEU MD2 1 37 ILE HA 4.500 . 4.800 3.758 2.617 4.385 . 0 0 "[ . 1 ]" 1
479 1 26 LEU QD 1 37 ILE H 4.500 . 5.500 3.599 3.030 4.067 . 0 0 "[ . 1 ]" 1
480 1 36 PHE HA 1 37 ILE H 2.300 . 2.600 2.319 2.165 2.455 . 0 0 "[ . 1 ]" 1
481 1 36 PHE QB 1 37 ILE H 3.000 . 3.300 2.698 2.443 3.018 . 0 0 "[ . 1 ]" 1
482 1 36 PHE QD 1 37 ILE H 4.500 . 4.800 4.270 4.130 4.624 . 0 0 "[ . 1 ]" 1
483 1 37 ILE HA 1 37 ILE MD 4.500 . 4.800 3.787 3.667 3.862 . 0 0 "[ . 1 ]" 1
484 1 37 ILE MD 1 37 ILE MG 3.000 . 3.500 2.067 1.910 2.200 . 0 0 "[ . 1 ]" 1
485 1 37 ILE H 1 37 ILE HA 2.300 . 3.000 2.896 2.856 2.940 . 0 0 "[ . 1 ]" 1
486 1 37 ILE H 1 37 ILE HB 2.300 . 2.800 2.554 2.492 2.640 . 0 0 "[ . 1 ]" 1
487 1 37 ILE H 1 37 ILE MD 3.500 . 4.500 3.778 3.548 4.058 . 0 0 "[ . 1 ]" 1
488 1 37 ILE H 1 37 ILE QG 2.300 . 2.800 2.294 2.065 2.551 . 0 0 "[ . 1 ]" 1
489 1 37 ILE H 1 37 ILE MG 3.500 . 4.500 3.800 3.773 3.844 . 0 0 "[ . 1 ]" 1
490 1 37 ILE H 1 38 ARG H 4.500 . 4.800 4.546 4.461 4.597 . 0 0 "[ . 1 ]" 1
491 1 37 ILE MD 1 51 LEU QD 2.300 . 2.800 1.754 1.725 1.827 0.075 8 0 "[ . 1 ]" 1
492 1 37 ILE HB 1 53 ALA HA 2.300 . 2.600 2.328 2.177 2.476 . 0 0 "[ . 1 ]" 1
493 1 37 ILE H 1 54 GLN HA 3.500 . 3.800 3.770 3.495 3.889 0.089 6 0 "[ . 1 ]" 1
494 1 37 ILE H 1 55 ASP HA 4.500 . 5.200 5.084 4.793 5.221 0.021 4 0 "[ . 1 ]" 1
495 1 37 ILE H 1 55 ASP H 3.000 . 3.700 3.607 3.388 3.851 0.151 11 0 "[ . 1 ]" 1
496 1 37 ILE H 1 56 ARG HA 3.500 . 4.500 4.302 3.607 4.604 0.104 4 0 "[ . 1 ]" 1
497 1 37 ILE H 1 56 ARG H 4.500 . 5.700 5.532 5.042 5.745 0.045 4 0 "[ . 1 ]" 1
498 1 37 ILE HB 1 57 ILE QG 4.500 . 6.500 5.162 4.651 5.702 . 0 0 "[ . 1 ]" 1
499 1 37 ILE MD 1 57 ILE MD 3.500 . 4.000 2.358 1.908 2.531 . 0 0 "[ . 1 ]" 1
500 1 37 ILE H 1 57 ILE QG 3.500 . 4.500 3.647 3.244 4.536 0.036 11 0 "[ . 1 ]" 1
501 1 37 ILE H 1 57 ILE MD 4.500 . 4.800 3.867 3.408 4.649 . 0 0 "[ . 1 ]" 1
502 1 37 ILE H 1 91 ARG QB 4.500 . 6.500 5.929 5.004 6.592 0.092 10 0 "[ . 1 ]" 1
503 1 24 PHE QD 1 38 ARG H 4.500 . 6.500 5.465 4.063 6.411 . 0 0 "[ . 1 ]" 1
504 1 25 ASN HB3 1 38 ARG H 4.500 . 4.800 3.947 3.756 4.105 . 0 0 "[ . 1 ]" 1
505 1 25 ASN HB2 1 38 ARG H 3.500 . 4.000 3.477 3.337 3.584 . 0 0 "[ . 1 ]" 1
506 1 25 ASN QD 1 38 ARG H 4.500 . 6.500 5.775 5.652 5.903 . 0 0 "[ . 1 ]" 1
507 1 25 ASN H 1 38 ARG H 3.500 . 4.000 3.858 3.599 4.036 0.036 4 0 "[ . 1 ]" 1
508 1 26 LEU HA 1 38 ARG H 3.000 . 3.300 2.424 2.264 2.670 . 0 0 "[ . 1 ]" 1
509 1 26 LEU QB 1 38 ARG H 4.500 . 5.200 4.501 4.305 4.680 . 0 0 "[ . 1 ]" 1
510 1 26 LEU MD1 1 38 ARG H 3.500 . 4.200 3.292 3.109 3.548 . 0 0 "[ . 1 ]" 1
511 1 26 LEU MD2 1 38 ARG H 4.500 . 5.200 4.163 3.463 4.629 . 0 0 "[ . 1 ]" 1
512 1 37 ILE HA 1 38 ARG H 2.300 . 2.600 2.180 2.148 2.203 . 0 0 "[ . 1 ]" 1
513 1 37 ILE MD 1 38 ARG H 4.500 . 6.000 4.929 4.781 5.044 . 0 0 "[ . 1 ]" 1
514 1 38 ARG HA 1 38 ARG QD 4.500 . 5.200 4.366 4.182 4.604 . 0 0 "[ . 1 ]" 1
515 1 38 ARG HA 1 38 ARG HG3 3.500 . 3.800 3.663 3.622 3.720 . 0 0 "[ . 1 ]" 1
516 1 38 ARG HA 1 38 ARG HG2 3.500 . 4.000 3.840 3.775 3.926 . 0 0 "[ . 1 ]" 1
517 1 38 ARG H 1 38 ARG HA 2.300 . 3.000 2.927 2.913 2.935 . 0 0 "[ . 1 ]" 1
518 1 38 ARG H 1 38 ARG HB3 3.000 . 3.500 2.694 2.615 2.790 . 0 0 "[ . 1 ]" 1
519 1 38 ARG H 1 38 ARG HB2 3.500 . 4.000 3.695 3.666 3.711 . 0 0 "[ . 1 ]" 1
520 1 38 ARG H 1 38 ARG HD3 4.500 . 5.000 4.541 4.067 4.821 . 0 0 "[ . 1 ]" 1
521 1 38 ARG H 1 38 ARG HD2 4.500 . 5.000 4.587 4.139 5.033 0.033 10 0 "[ . 1 ]" 1
522 1 38 ARG H 1 38 ARG HG3 3.500 . 3.800 3.309 3.123 3.485 . 0 0 "[ . 1 ]" 1
523 1 38 ARG H 1 38 ARG HG2 3.000 . 3.300 2.336 2.184 2.458 . 0 0 "[ . 1 ]" 1
524 1 38 ARG HA 1 39 SER QB 4.500 . 5.500 4.611 4.543 4.659 . 0 0 "[ . 1 ]" 1
525 1 38 ARG H 1 39 SER QB 4.500 . 5.000 4.484 4.385 4.590 . 0 0 "[ . 1 ]" 1
526 1 38 ARG H 1 39 SER H 2.300 . 2.600 2.193 2.094 2.343 . 0 0 "[ . 1 ]" 1
527 1 24 PHE HA 1 39 SER H 4.500 . 5.000 4.837 4.673 4.936 . 0 0 "[ . 1 ]" 1
528 1 24 PHE QB 1 39 SER H 4.500 . 4.800 4.168 3.824 4.480 . 0 0 "[ . 1 ]" 1
529 1 24 PHE QD 1 39 SER H 4.500 . 6.000 5.363 4.337 5.985 . 0 0 "[ . 1 ]" 1
530 1 25 ASN HA 1 39 SER H 3.500 . 4.500 4.428 4.354 4.516 0.016 11 0 "[ . 1 ]" 1
531 1 25 ASN HB3 1 39 SER H 3.000 . 3.500 3.523 3.504 3.541 0.041 8 0 "[ . 1 ]" 1
532 1 25 ASN HB2 1 39 SER H 3.000 . 3.300 2.155 2.061 2.329 . 0 0 "[ . 1 ]" 1
533 1 25 ASN QD 1 39 SER H 4.500 . 5.500 4.911 4.847 4.957 . 0 0 "[ . 1 ]" 1
534 1 26 LEU HA 1 39 SER H 4.500 . 4.800 4.299 4.175 4.456 . 0 0 "[ . 1 ]" 1
535 1 26 LEU QD 1 39 SER H 4.500 . 5.700 4.090 3.977 4.192 . 0 0 "[ . 1 ]" 1
536 1 37 ILE HA 1 39 SER H 3.500 . 4.000 3.971 3.859 4.038 0.038 8 0 "[ . 1 ]" 1
537 1 37 ILE HB 1 39 SER H 4.500 . 4.800 4.776 4.675 4.827 0.027 11 0 "[ . 1 ]" 1
538 1 38 ARG QG 1 39 SER HA 3.500 . 4.500 3.873 3.801 4.022 . 0 0 "[ . 1 ]" 1
539 1 38 ARG QG 1 39 SER QB 4.500 . 4.800 2.380 2.296 2.499 . 0 0 "[ . 1 ]" 1
540 1 38 ARG HA 1 39 SER H 3.000 . 3.700 3.524 3.500 3.540 . 0 0 "[ . 1 ]" 1
541 1 38 ARG HB3 1 39 SER H 3.500 . 4.000 3.913 3.845 3.988 . 0 0 "[ . 1 ]" 1
542 1 38 ARG HB2 1 39 SER H 3.500 . 4.200 4.009 3.929 4.077 . 0 0 "[ . 1 ]" 1
543 1 38 ARG HD3 1 39 SER H 4.500 . 5.000 4.733 4.430 5.001 0.001 7 0 "[ . 1 ]" 1
544 1 38 ARG HD2 1 39 SER H 4.500 . 5.200 4.901 4.543 5.130 . 0 0 "[ . 1 ]" 1
545 1 38 ARG QG 1 39 SER H 3.000 . 3.300 2.284 2.167 2.396 . 0 0 "[ . 1 ]" 1
546 1 39 SER HA 1 39 SER QB 2.300 . 2.800 2.393 2.331 2.439 . 0 0 "[ . 1 ]" 1
547 1 39 SER H 1 39 SER HA 2.300 . 3.000 2.904 2.886 2.915 . 0 0 "[ . 1 ]" 1
548 1 39 SER H 1 39 SER QB 3.000 . 3.300 2.773 2.736 2.811 . 0 0 "[ . 1 ]" 1
549 1 39 SER H 1 40 VAL HB 4.500 . 6.500 6.203 6.035 6.284 . 0 0 "[ . 1 ]" 1
550 1 39 SER H 1 40 VAL MG2 4.500 . 5.000 3.910 3.841 4.003 . 0 0 "[ . 1 ]" 1
551 1 39 SER H 1 40 VAL H 3.500 . 4.500 4.371 4.318 4.395 . 0 0 "[ . 1 ]" 1
552 1 39 SER H 1 53 ALA HA 4.500 . 4.800 4.511 4.251 4.803 0.003 12 0 "[ . 1 ]" 1
553 1 39 SER H 1 53 ALA MB 4.500 . 4.800 3.469 3.064 3.879 . 0 0 "[ . 1 ]" 1
554 1 24 PHE QB 1 40 VAL QG 4.500 . 4.800 2.401 2.130 2.827 . 0 0 "[ . 1 ]" 1
555 1 38 ARG QG 1 40 VAL H 4.500 . 6.500 5.470 5.396 5.584 . 0 0 "[ . 1 ]" 1
556 1 39 SER QB 1 40 VAL HB 4.500 . 6.500 5.734 5.652 5.810 . 0 0 "[ . 1 ]" 1
557 1 39 SER HA 1 40 VAL H 2.300 . 2.600 2.289 2.218 2.337 . 0 0 "[ . 1 ]" 1
558 1 39 SER QB 1 40 VAL H 3.500 . 4.000 3.381 3.267 3.470 . 0 0 "[ . 1 ]" 1
559 1 40 VAL HA 1 40 VAL MG1 3.000 . 3.300 2.317 2.230 2.368 . 0 0 "[ . 1 ]" 1
560 1 40 VAL HA 1 40 VAL MG2 3.000 . 3.300 2.446 2.358 2.498 . 0 0 "[ . 1 ]" 1
561 1 40 VAL HB 1 40 VAL MG1 2.300 . 2.600 2.113 2.089 2.129 . 0 0 "[ . 1 ]" 1
562 1 40 VAL HB 1 40 VAL MG2 2.300 . 2.600 2.127 2.124 2.129 . 0 0 "[ . 1 ]" 1
563 1 40 VAL H 1 40 VAL HB 2.300 . 2.800 2.802 2.774 2.821 0.021 4 0 "[ . 1 ]" 1
564 1 40 VAL H 1 40 VAL MG1 4.500 . 4.800 3.921 3.904 3.929 . 0 0 "[ . 1 ]" 1
565 1 40 VAL H 1 40 VAL MG2 3.500 . 4.000 2.748 2.657 2.920 . 0 0 "[ . 1 ]" 1
566 1 40 VAL H 1 41 ASP H 3.500 . 4.500 4.364 4.311 4.396 . 0 0 "[ . 1 ]" 1
567 1 40 VAL H 1 41 ASP QB 4.500 . 6.500 5.508 5.445 5.580 . 0 0 "[ . 1 ]" 1
568 1 40 VAL QG 1 46 ALA MB 4.500 . 4.800 2.272 1.967 2.626 . 0 0 "[ . 1 ]" 1
569 1 40 VAL QG 1 53 ALA HA 3.500 . 4.500 2.460 2.188 2.718 . 0 0 "[ . 1 ]" 1
570 1 40 VAL QG 1 53 ALA MB 4.500 . 5.000 1.912 1.799 2.200 0.001 5 0 "[ . 1 ]" 1
571 1 40 VAL H 1 53 ALA HA 4.500 . 5.200 5.144 4.902 5.239 0.039 11 0 "[ . 1 ]" 1
572 1 40 VAL H 1 53 ALA MB 3.500 . 4.000 3.093 2.885 3.339 . 0 0 "[ . 1 ]" 1
573 1 23 GLY HA3 1 41 ASP H 3.500 . 3.800 3.816 3.773 3.852 0.052 5 0 "[ . 1 ]" 1
574 1 23 GLY HA2 1 41 ASP H 3.500 . 4.500 4.233 3.576 4.497 . 0 0 "[ . 1 ]" 1
575 1 24 PHE HA 1 41 ASP H 3.000 . 3.300 2.843 2.732 2.938 . 0 0 "[ . 1 ]" 1
576 1 24 PHE HB3 1 41 ASP H 3.500 . 4.500 3.705 3.425 4.035 . 0 0 "[ . 1 ]" 1
577 1 24 PHE HB2 1 41 ASP H 4.500 . 4.800 4.580 4.151 4.819 0.019 7 0 "[ . 1 ]" 1
578 1 24 PHE QD 1 41 ASP H 4.500 . 5.500 5.293 4.887 5.526 0.026 3 0 "[ . 1 ]" 1
579 1 40 VAL HA 1 41 ASP QB 4.500 . 4.800 4.053 4.025 4.068 . 0 0 "[ . 1 ]" 1
580 1 40 VAL HA 1 41 ASP H 2.300 . 2.600 2.210 2.180 2.233 . 0 0 "[ . 1 ]" 1
581 1 40 VAL HB 1 41 ASP H 3.500 . 4.500 3.961 3.888 4.100 . 0 0 "[ . 1 ]" 1
582 1 40 VAL MG1 1 41 ASP H 3.000 . 3.500 2.268 1.981 2.493 . 0 0 "[ . 1 ]" 1
583 1 40 VAL MG2 1 41 ASP H 4.500 . 5.000 4.021 3.959 4.119 . 0 0 "[ . 1 ]" 1
584 1 41 ASP HA 1 41 ASP HB3 3.000 . 3.500 3.022 3.016 3.024 . 0 0 "[ . 1 ]" 1
585 1 41 ASP HA 1 41 ASP HB2 3.000 . 3.500 2.496 2.468 2.538 . 0 0 "[ . 1 ]" 1
586 1 41 ASP H 1 41 ASP HA 2.300 . 3.000 2.902 2.882 2.920 . 0 0 "[ . 1 ]" 1
587 1 41 ASP H 1 41 ASP HB3 2.300 . 2.800 2.559 2.517 2.642 . 0 0 "[ . 1 ]" 1
588 1 41 ASP H 1 41 ASP HB2 2.300 . 2.800 2.652 2.608 2.764 . 0 0 "[ . 1 ]" 1
589 1 41 ASP H 1 42 PRO HD3 3.500 . 4.500 4.438 4.363 4.491 . 0 0 "[ . 1 ]" 1
590 1 41 ASP H 1 42 PRO HD2 4.500 . 5.500 5.278 5.210 5.317 . 0 0 "[ . 1 ]" 1
591 1 41 ASP H 1 44 SER H 4.500 . 5.200 5.200 5.137 5.223 0.023 3 0 "[ . 1 ]" 1
592 1 41 ASP H 1 47 GLU HB3 4.500 . 6.500 6.296 6.046 6.491 . 0 0 "[ . 1 ]" 1
593 1 41 ASP H 1 47 GLU HB2 4.500 . 5.000 4.761 4.483 4.985 . 0 0 "[ . 1 ]" 1
594 1 41 ASP QB 1 42 PRO QD 4.500 . 4.800 3.601 3.558 3.655 . 0 0 "[ . 1 ]" 1
595 1 42 PRO HA 1 42 PRO QB 2.300 . 2.600 2.211 2.207 2.217 . 0 0 "[ . 1 ]" 1
596 1 42 PRO HA 1 42 PRO QG 3.500 . 3.800 2.984 2.948 3.017 . 0 0 "[ . 1 ]" 1
597 1 42 PRO HA 1 43 ASP H 2.300 . 2.600 2.159 2.145 2.187 . 0 0 "[ . 1 ]" 1
598 1 42 PRO HB3 1 43 ASP H 3.500 . 3.800 3.532 3.364 3.651 . 0 0 "[ . 1 ]" 1
599 1 42 PRO HB2 1 43 ASP H 3.500 . 4.000 3.824 3.711 3.928 . 0 0 "[ . 1 ]" 1
600 1 42 PRO QG 1 43 ASP H 4.500 . 5.500 4.736 4.658 4.794 . 0 0 "[ . 1 ]" 1
601 1 42 PRO QD 1 43 ASP H 4.500 . 5.500 4.956 4.929 4.986 . 0 0 "[ . 1 ]" 1
602 1 43 ASP HA 1 43 ASP HB3 3.000 . 3.300 3.010 3.008 3.011 . 0 0 "[ . 1 ]" 1
603 1 43 ASP HA 1 43 ASP HB2 2.300 . 2.800 2.578 2.572 2.585 . 0 0 "[ . 1 ]" 1
604 1 43 ASP H 1 43 ASP HA 2.300 . 2.600 2.279 2.272 2.284 . 0 0 "[ . 1 ]" 1
605 1 43 ASP H 1 43 ASP HB3 3.500 . 4.000 3.782 3.751 3.799 . 0 0 "[ . 1 ]" 1
606 1 43 ASP H 1 43 ASP HB2 3.000 . 3.500 3.191 3.125 3.225 . 0 0 "[ . 1 ]" 1
607 1 43 ASP H 1 44 SER H 2.300 . 2.800 2.552 2.499 2.640 . 0 0 "[ . 1 ]" 1
608 1 43 ASP HA 1 47 GLU HB3 3.500 . 3.800 3.281 3.099 3.469 . 0 0 "[ . 1 ]" 1
609 1 43 ASP HA 1 47 GLU HB2 4.500 . 4.800 4.548 4.412 4.784 . 0 0 "[ . 1 ]" 1
610 1 43 ASP H 1 47 GLU HA 4.500 . 5.500 5.174 5.045 5.370 . 0 0 "[ . 1 ]" 1
611 1 43 ASP H 1 47 GLU H 4.500 . 5.200 4.945 4.832 5.112 . 0 0 "[ . 1 ]" 1
612 1 43 ASP H 1 47 GLU QB 2.300 . 3.000 2.529 2.431 2.693 . 0 0 "[ . 1 ]" 1
613 1 43 ASP H 1 48 ALA H 4.500 . 5.000 4.754 4.586 4.874 . 0 0 "[ . 1 ]" 1
614 1 43 ASP H 1 48 ALA HA 4.500 . 6.000 5.802 5.493 6.013 0.013 5 0 "[ . 1 ]" 1
615 1 40 VAL MG1 1 44 SER H 4.500 . 5.500 4.436 4.324 4.603 . 0 0 "[ . 1 ]" 1
616 1 41 ASP HB3 1 44 SER H 3.500 . 4.200 4.096 4.054 4.146 . 0 0 "[ . 1 ]" 1
617 1 41 ASP HB2 1 44 SER H 4.500 . 5.700 5.716 5.664 5.746 0.046 10 0 "[ . 1 ]" 1
618 1 42 PRO HA 1 44 SER H 3.500 . 3.800 3.470 3.351 3.600 . 0 0 "[ . 1 ]" 1
619 1 42 PRO QD 1 44 SER H 4.500 . 5.700 5.065 4.998 5.140 . 0 0 "[ . 1 ]" 1
620 1 43 ASP HA 1 44 SER H 3.000 . 3.500 3.090 3.015 3.122 . 0 0 "[ . 1 ]" 1
621 1 43 ASP HB3 1 44 SER H 3.500 . 4.000 3.920 3.870 4.009 0.009 6 0 "[ . 1 ]" 1
622 1 43 ASP HB2 1 44 SER H 3.500 . 4.500 4.442 4.414 4.490 . 0 0 "[ . 1 ]" 1
623 1 44 SER H 1 44 SER HA 2.300 . 3.000 2.932 2.923 2.940 . 0 0 "[ . 1 ]" 1
624 1 44 SER H 1 44 SER QB 2.300 . 3.000 2.377 2.301 2.592 . 0 0 "[ . 1 ]" 1
625 1 44 SER H 1 45 PRO HD3 4.500 . 5.200 4.967 4.924 4.987 . 0 0 "[ . 1 ]" 1
626 1 44 SER H 1 45 PRO HD2 4.500 . 5.200 4.967 4.940 5.016 . 0 0 "[ . 1 ]" 1
627 1 44 SER H 1 46 ALA MB 4.500 . 6.500 4.883 4.599 5.007 . 0 0 "[ . 1 ]" 1
628 1 44 SER H 1 46 ALA H 4.500 . 5.000 4.829 4.720 4.954 . 0 0 "[ . 1 ]" 1
629 1 44 SER H 1 47 GLU HB3 2.300 . 2.800 2.502 2.282 2.672 . 0 0 "[ . 1 ]" 1
630 1 44 SER H 1 47 GLU HB2 2.300 . 2.800 2.675 2.592 2.787 . 0 0 "[ . 1 ]" 1
631 1 44 SER H 1 47 GLU H 3.500 . 3.800 3.372 3.265 3.521 . 0 0 "[ . 1 ]" 1
632 1 44 SER H 1 48 ALA MB 4.500 . 6.000 4.691 4.466 4.886 . 0 0 "[ . 1 ]" 1
633 1 44 SER H 1 48 ALA H 3.500 . 4.000 3.816 3.637 3.999 . 0 0 "[ . 1 ]" 1
634 1 15 MET QG 1 45 PRO QB 4.500 . 6.000 4.165 3.426 4.711 . 0 0 "[ . 1 ]" 1
635 1 44 SER HA 1 45 PRO QB 4.500 . 5.500 4.841 4.816 4.866 . 0 0 "[ . 1 ]" 1
636 1 44 SER QB 1 45 PRO QD 3.500 . 3.800 1.869 1.801 1.922 . 0 0 "[ . 1 ]" 1
637 1 45 PRO HA 1 45 PRO HB3 3.000 . 3.300 2.318 2.311 2.321 . 0 0 "[ . 1 ]" 1
638 1 45 PRO QB 1 46 ALA HA 3.500 . 4.500 3.808 3.787 3.829 . 0 0 "[ . 1 ]" 1
639 1 45 PRO HA 1 47 GLU QB 4.500 . 6.000 5.282 5.187 5.328 . 0 0 "[ . 1 ]" 1
640 1 45 PRO HA 1 48 ALA MB 3.000 . 3.300 2.639 2.436 2.980 . 0 0 "[ . 1 ]" 1
641 1 22 TYR QB 1 46 ALA MB 4.500 . 5.500 3.576 2.926 4.252 . 0 0 "[ . 1 ]" 1
642 1 22 TYR QB 1 46 ALA H 4.500 . 6.000 4.831 4.106 5.277 . 0 0 "[ . 1 ]" 1
643 1 23 GLY QA 1 46 ALA MB 4.500 . 5.500 3.352 2.198 3.880 . 0 0 "[ . 1 ]" 1
644 1 23 GLY QA 1 46 ALA H 3.500 . 4.500 3.514 2.488 4.119 . 0 0 "[ . 1 ]" 1
645 1 23 GLY H 1 46 ALA H 4.500 . 5.700 5.328 4.952 5.593 . 0 0 "[ . 1 ]" 1
646 1 24 PHE HB3 1 46 ALA MB 3.500 . 3.800 2.517 2.179 2.800 . 0 0 "[ . 1 ]" 1
647 1 24 PHE HB2 1 46 ALA MB 4.500 . 5.000 3.821 3.556 4.133 . 0 0 "[ . 1 ]" 1
648 1 24 PHE QD 1 46 ALA MB 3.500 . 4.000 2.598 1.792 3.339 0.008 11 0 "[ . 1 ]" 1
649 1 24 PHE QD 1 46 ALA H 4.500 . 6.000 5.058 4.018 6.002 0.002 4 0 "[ . 1 ]" 1
650 1 24 PHE H 1 46 ALA H 4.500 . 5.500 5.496 5.253 5.567 0.067 3 0 "[ . 1 ]" 1
651 1 40 VAL HA 1 46 ALA MB 4.500 . 5.200 4.016 3.494 4.277 . 0 0 "[ . 1 ]" 1
652 1 40 VAL MG1 1 46 ALA MB 3.500 . 4.500 2.300 1.980 2.672 . 0 0 "[ . 1 ]" 1
653 1 40 VAL MG2 1 46 ALA MB 4.500 . 5.500 3.574 3.374 3.860 . 0 0 "[ . 1 ]" 1
654 1 40 VAL MG1 1 46 ALA H 4.500 . 6.000 4.509 4.305 4.837 . 0 0 "[ . 1 ]" 1
655 1 41 ASP H 1 46 ALA H 4.500 . 5.700 5.448 4.968 5.653 . 0 0 "[ . 1 ]" 1
656 1 41 ASP QB 1 46 ALA H 4.500 . 6.000 4.951 4.549 5.119 . 0 0 "[ . 1 ]" 1
657 1 44 SER HA 1 46 ALA H 3.500 . 4.500 4.450 4.428 4.475 . 0 0 "[ . 1 ]" 1
658 1 44 SER QB 1 46 ALA H 3.000 . 3.500 2.792 2.746 2.883 . 0 0 "[ . 1 ]" 1
659 1 45 PRO QB 1 46 ALA MB 4.500 . 5.500 3.723 3.656 3.798 . 0 0 "[ . 1 ]" 1
660 1 45 PRO HA 1 46 ALA H 3.500 . 4.000 3.561 3.554 3.567 . 0 0 "[ . 1 ]" 1
661 1 45 PRO HB3 1 46 ALA H 3.500 . 4.000 3.901 3.893 3.917 . 0 0 "[ . 1 ]" 1
662 1 45 PRO HB2 1 46 ALA H 2.300 . 2.800 2.529 2.521 2.543 . 0 0 "[ . 1 ]" 1
663 1 45 PRO QD 1 46 ALA H 3.500 . 3.800 3.023 2.912 3.064 . 0 0 "[ . 1 ]" 1
664 1 46 ALA HA 1 46 ALA MB 2.300 . 2.600 2.108 2.089 2.130 . 0 0 "[ . 1 ]" 1
665 1 46 ALA H 1 46 ALA HA 2.300 . 3.000 2.819 2.802 2.833 . 0 0 "[ . 1 ]" 1
666 1 46 ALA H 1 46 ALA MB 2.300 . 2.800 2.134 2.054 2.232 . 0 0 "[ . 1 ]" 1
667 1 46 ALA MB 1 47 GLU HA 4.500 . 4.800 3.774 3.717 3.841 . 0 0 "[ . 1 ]" 1
668 1 46 ALA MB 1 47 GLU QB 4.500 . 5.500 3.707 3.650 3.808 . 0 0 "[ . 1 ]" 1
669 1 46 ALA H 1 47 GLU H 2.300 . 2.800 2.656 2.594 2.725 . 0 0 "[ . 1 ]" 1
670 1 46 ALA H 1 47 GLU QB 4.500 . 5.000 4.412 4.356 4.485 . 0 0 "[ . 1 ]" 1
671 1 46 ALA H 1 48 ALA MB 4.500 . 6.000 4.797 4.652 5.055 . 0 0 "[ . 1 ]" 1
672 1 46 ALA H 1 48 ALA H 3.500 . 4.500 4.285 4.210 4.395 . 0 0 "[ . 1 ]" 1
673 1 46 ALA H 1 49 SER HB3 4.500 . 5.700 5.438 4.813 5.715 0.015 10 0 "[ . 1 ]" 1
674 1 46 ALA HA 1 51 LEU QD 4.500 . 4.800 2.993 2.671 3.287 . 0 0 "[ . 1 ]" 1
675 1 46 ALA MB 1 51 LEU QD 3.000 . 3.700 1.932 1.793 2.171 0.007 7 0 "[ . 1 ]" 1
676 1 46 ALA H 1 51 LEU QD 4.500 . 6.500 4.534 4.331 4.773 . 0 0 "[ . 1 ]" 1
677 1 40 VAL MG1 1 47 GLU HA 3.500 . 4.000 3.272 2.876 3.468 . 0 0 "[ . 1 ]" 1
678 1 40 VAL MG2 1 47 GLU HA 4.500 . 6.500 5.132 4.788 5.335 . 0 0 "[ . 1 ]" 1
679 1 40 VAL MG1 1 47 GLU HB3 4.500 . 5.500 4.299 4.061 4.496 . 0 0 "[ . 1 ]" 1
680 1 40 VAL MG1 1 47 GLU HB2 4.500 . 4.800 2.849 2.652 3.063 . 0 0 "[ . 1 ]" 1
681 1 40 VAL HA 1 47 GLU H 4.500 . 6.200 6.158 5.946 6.237 0.037 1 0 "[ . 1 ]" 1
682 1 40 VAL HB 1 47 GLU H 4.500 . 6.500 6.287 5.922 6.508 0.008 5 0 "[ . 1 ]" 1
683 1 40 VAL MG1 1 47 GLU H 3.500 . 4.200 3.404 3.153 3.552 . 0 0 "[ . 1 ]" 1
684 1 41 ASP H 1 47 GLU H 4.500 . 5.500 5.019 4.736 5.234 . 0 0 "[ . 1 ]" 1
685 1 44 SER HA 1 47 GLU H 4.500 . 5.000 4.624 4.566 4.661 . 0 0 "[ . 1 ]" 1
686 1 45 PRO QD 1 47 GLU QB 4.500 . 6.500 5.143 5.070 5.236 . 0 0 "[ . 1 ]" 1
687 1 45 PRO HA 1 47 GLU H 3.500 . 4.500 4.524 4.504 4.548 0.048 1 0 "[ . 1 ]" 1
688 1 45 PRO QD 1 47 GLU H 4.500 . 5.200 4.569 4.513 4.637 . 0 0 "[ . 1 ]" 1
689 1 46 ALA HA 1 47 GLU HA 4.500 . 5.000 4.757 4.749 4.778 . 0 0 "[ . 1 ]" 1
690 1 46 ALA HA 1 47 GLU H 3.500 . 3.800 3.537 3.529 3.545 . 0 0 "[ . 1 ]" 1
691 1 46 ALA MB 1 47 GLU H 3.000 . 3.500 2.553 2.460 2.599 . 0 0 "[ . 1 ]" 1
692 1 47 GLU HA 1 47 GLU HB2 2.300 . 2.800 2.582 2.579 2.584 . 0 0 "[ . 1 ]" 1
693 1 47 GLU H 1 47 GLU HA 2.300 . 3.000 2.842 2.823 2.847 . 0 0 "[ . 1 ]" 1
694 1 47 GLU H 1 47 GLU HB3 2.300 . 2.800 2.733 2.727 2.750 . 0 0 "[ . 1 ]" 1
695 1 47 GLU H 1 47 GLU HB2 2.300 . 2.600 2.338 2.317 2.347 . 0 0 "[ . 1 ]" 1
696 1 47 GLU H 1 48 ALA HA 4.500 . 5.500 5.261 5.231 5.348 . 0 0 "[ . 1 ]" 1
697 1 47 GLU H 1 48 ALA MB 4.500 . 5.500 4.236 4.149 4.359 . 0 0 "[ . 1 ]" 1
698 1 47 GLU H 1 48 ALA H 2.300 . 2.800 2.675 2.641 2.778 . 0 0 "[ . 1 ]" 1
699 1 47 GLU H 1 49 SER QB 4.500 . 5.700 4.888 4.548 5.038 . 0 0 "[ . 1 ]" 1
700 1 47 GLU H 1 49 SER H 3.500 . 4.000 3.945 3.817 4.015 0.015 10 0 "[ . 1 ]" 1
701 1 47 GLU H 1 51 LEU QD 4.500 . 6.000 4.398 4.187 4.549 . 0 0 "[ . 1 ]" 1
702 1 43 ASP HA 1 48 ALA H 3.500 . 4.500 4.398 4.243 4.512 0.012 11 0 "[ . 1 ]" 1
703 1 45 PRO QB 1 48 ALA MB 4.500 . 5.700 4.241 4.137 4.469 . 0 0 "[ . 1 ]" 1
704 1 45 PRO HA 1 48 ALA H 3.000 . 3.700 3.715 3.697 3.733 0.033 5 0 "[ . 1 ]" 1
705 1 46 ALA HA 1 48 ALA H 4.500 . 5.000 4.895 4.825 4.995 . 0 0 "[ . 1 ]" 1
706 1 47 GLU HB3 1 48 ALA HA 4.500 . 4.800 3.925 3.907 3.975 . 0 0 "[ . 1 ]" 1
707 1 47 GLU HB2 1 48 ALA HA 4.500 . 5.500 5.478 5.471 5.497 . 0 0 "[ . 1 ]" 1
708 1 47 GLU HB3 1 48 ALA MB 4.500 . 4.800 3.810 3.630 3.908 . 0 0 "[ . 1 ]" 1
709 1 47 GLU HB2 1 48 ALA MB 4.500 . 6.500 5.082 4.987 5.121 . 0 0 "[ . 1 ]" 1
710 1 47 GLU QB 1 48 ALA MB 4.500 . 5.500 3.708 3.547 3.793 . 0 0 "[ . 1 ]" 1
711 1 47 GLU HA 1 48 ALA H 3.500 . 3.800 3.558 3.552 3.569 . 0 0 "[ . 1 ]" 1
712 1 47 GLU HB3 1 48 ALA H 2.300 . 2.600 2.302 2.240 2.338 . 0 0 "[ . 1 ]" 1
713 1 47 GLU HB2 1 48 ALA H 3.000 . 3.500 3.533 3.515 3.545 0.045 8 0 "[ . 1 ]" 1
714 1 48 ALA HA 1 48 ALA MB 2.300 . 2.600 2.111 2.096 2.127 . 0 0 "[ . 1 ]" 1
715 1 48 ALA H 1 48 ALA HA 2.300 . 2.800 2.749 2.728 2.792 . 0 0 "[ . 1 ]" 1
716 1 48 ALA H 1 48 ALA MB 2.300 . 2.800 2.159 2.070 2.237 . 0 0 "[ . 1 ]" 1
717 1 48 ALA MB 1 49 SER QB 4.500 . 5.500 3.829 3.763 3.902 . 0 0 "[ . 1 ]" 1
718 1 48 ALA H 1 49 SER HB3 4.500 . 5.200 5.043 4.749 5.210 0.010 10 0 "[ . 1 ]" 1
719 1 48 ALA H 1 49 SER HB2 4.500 . 5.500 5.297 5.038 5.503 0.003 3 0 "[ . 1 ]" 1
720 1 48 ALA H 1 49 SER H 2.300 . 3.000 2.807 2.687 2.859 . 0 0 "[ . 1 ]" 1
721 1 48 ALA H 1 51 LEU HB3 4.500 . 6.000 5.842 5.662 6.014 0.014 9 0 "[ . 1 ]" 1
722 1 14 THR H 1 49 SER H 4.500 . 5.500 5.527 5.414 5.614 0.114 11 0 "[ . 1 ]" 1
723 1 15 MET HA 1 49 SER HA 4.500 . 5.700 5.123 3.966 5.632 . 0 0 "[ . 1 ]" 1
724 1 15 MET HA 1 49 SER HB3 4.500 . 4.800 3.978 3.401 4.395 . 0 0 "[ . 1 ]" 1
725 1 15 MET HA 1 49 SER HB2 4.500 . 4.800 2.867 1.976 3.366 . 0 0 "[ . 1 ]" 1
726 1 15 MET HA 1 49 SER H 4.500 . 5.500 4.854 4.510 5.152 . 0 0 "[ . 1 ]" 1
727 1 46 ALA HA 1 49 SER H 3.500 . 4.000 3.856 3.674 3.945 . 0 0 "[ . 1 ]" 1
728 1 46 ALA MB 1 49 SER H 4.500 . 5.700 4.734 4.592 4.795 . 0 0 "[ . 1 ]" 1
729 1 47 GLU HA 1 49 SER H 3.500 . 4.000 3.948 3.874 4.006 0.006 5 0 "[ . 1 ]" 1
730 1 47 GLU QB 1 49 SER H 4.500 . 5.000 4.403 4.307 4.467 . 0 0 "[ . 1 ]" 1
731 1 48 ALA HA 1 49 SER H 3.000 . 3.500 3.485 3.463 3.504 0.004 1 0 "[ . 1 ]" 1
732 1 48 ALA MB 1 49 SER H 3.000 . 3.700 2.833 2.739 2.935 . 0 0 "[ . 1 ]" 1
733 1 49 SER HA 1 49 SER HB3 3.000 . 3.300 3.022 3.002 3.028 . 0 0 "[ . 1 ]" 1
734 1 49 SER HA 1 49 SER HB2 3.000 . 3.300 2.433 2.335 2.521 . 0 0 "[ . 1 ]" 1
735 1 49 SER H 1 49 SER HA 2.300 . 3.000 2.886 2.865 2.897 . 0 0 "[ . 1 ]" 1
736 1 49 SER H 1 49 SER HB3 2.300 . 2.600 2.433 2.240 2.602 0.002 4 0 "[ . 1 ]" 1
737 1 49 SER H 1 49 SER HB2 3.000 . 3.300 2.740 2.588 2.970 . 0 0 "[ . 1 ]" 1
738 1 49 SER H 1 50 GLY QA 4.500 . 5.000 4.335 4.303 4.394 . 0 0 "[ . 1 ]" 1
739 1 49 SER H 1 50 GLY H 2.300 . 2.600 2.357 2.315 2.421 . 0 0 "[ . 1 ]" 1
740 1 49 SER H 1 51 LEU H 3.500 . 4.000 3.689 3.585 3.792 . 0 0 "[ . 1 ]" 1
741 1 49 SER H 1 51 LEU HB2 4.500 . 5.200 5.050 4.866 5.207 0.007 6 0 "[ . 1 ]" 1
742 1 49 SER H 1 51 LEU HB3 4.500 . 5.000 4.984 4.876 5.030 0.030 4 0 "[ . 1 ]" 1
743 1 46 ALA MB 1 50 GLY H 4.500 . 6.200 5.036 5.008 5.062 . 0 0 "[ . 1 ]" 1
744 1 46 ALA HA 1 50 GLY H 4.500 . 5.000 4.742 4.677 4.788 . 0 0 "[ . 1 ]" 1
745 1 47 GLU HA 1 50 GLY QA 4.500 . 5.000 3.990 3.836 4.322 . 0 0 "[ . 1 ]" 1
746 1 47 GLU HA 1 50 GLY H 3.500 . 3.800 3.157 3.078 3.385 . 0 0 "[ . 1 ]" 1
747 1 48 ALA HA 1 50 GLY H 3.500 . 4.500 4.243 3.974 4.377 . 0 0 "[ . 1 ]" 1
748 1 48 ALA MB 1 50 GLY H 4.500 . 5.500 4.513 4.445 4.585 . 0 0 "[ . 1 ]" 1
749 1 48 ALA H 1 50 GLY H 4.500 . 4.800 4.159 4.090 4.231 . 0 0 "[ . 1 ]" 1
750 1 49 SER HA 1 50 GLY H 3.000 . 3.500 3.478 3.441 3.500 0.000 3 0 "[ . 1 ]" 1
751 1 49 SER QB 1 50 GLY H 3.500 . 3.800 2.884 2.792 3.071 . 0 0 "[ . 1 ]" 1
752 1 50 GLY H 1 50 GLY HA3 2.300 . 3.000 2.953 2.940 2.958 . 0 0 "[ . 1 ]" 1
753 1 50 GLY H 1 50 GLY HA2 2.300 . 2.600 2.453 2.390 2.505 . 0 0 "[ . 1 ]" 1
754 1 50 GLY QA 1 51 LEU HA 4.500 . 4.800 4.098 4.043 4.165 . 0 0 "[ . 1 ]" 1
755 1 50 GLY H 1 51 LEU HA 4.500 . 5.000 4.667 4.586 4.805 . 0 0 "[ . 1 ]" 1
756 1 50 GLY H 1 51 LEU HB3 3.500 . 4.500 4.180 4.054 4.305 . 0 0 "[ . 1 ]" 1
757 1 50 GLY H 1 51 LEU HB2 3.500 . 4.500 4.241 4.135 4.358 . 0 0 "[ . 1 ]" 1
758 1 50 GLY H 1 51 LEU H 2.300 . 2.600 1.988 1.924 2.147 . 0 0 "[ . 1 ]" 1
759 1 37 ILE MG 1 51 LEU QD 4.500 . 5.000 2.382 2.104 2.576 . 0 0 "[ . 1 ]" 1
760 1 40 VAL MG1 1 51 LEU H 4.500 . 6.000 4.509 4.251 4.703 . 0 0 "[ . 1 ]" 1
761 1 46 ALA HA 1 51 LEU H 3.500 . 4.500 4.223 3.948 4.417 . 0 0 "[ . 1 ]" 1
762 1 47 GLU QB 1 51 LEU H 4.500 . 5.500 4.857 4.612 5.220 . 0 0 "[ . 1 ]" 1
763 1 47 GLU HA 1 51 LEU H 3.000 . 3.300 2.848 2.529 3.313 0.013 4 0 "[ . 1 ]" 1
764 1 48 ALA H 1 51 LEU H 4.500 . 5.500 5.156 5.014 5.359 . 0 0 "[ . 1 ]" 1
765 1 49 SER HA 1 51 LEU H 4.500 . 5.200 5.077 4.831 5.215 0.015 1 0 "[ . 1 ]" 1
766 1 49 SER QB 1 51 LEU H 3.500 . 4.200 3.320 2.860 3.618 . 0 0 "[ . 1 ]" 1
767 1 50 GLY HA3 1 51 LEU H 3.000 . 3.500 3.461 3.355 3.510 0.010 11 0 "[ . 1 ]" 1
768 1 50 GLY HA2 1 51 LEU H 3.000 . 3.300 3.002 2.849 3.216 . 0 0 "[ . 1 ]" 1
769 1 51 LEU HA 1 51 LEU HB3 3.000 . 3.500 3.019 3.017 3.020 . 0 0 "[ . 1 ]" 1
770 1 51 LEU HA 1 51 LEU HB2 3.000 . 3.500 2.457 2.422 2.492 . 0 0 "[ . 1 ]" 1
771 1 51 LEU HA 1 51 LEU MD1 4.500 . 4.800 3.683 3.668 3.700 . 0 0 "[ . 1 ]" 1
772 1 51 LEU HB2 1 51 LEU MD1 3.000 . 3.300 2.103 2.050 2.251 . 0 0 "[ . 1 ]" 1
773 1 51 LEU HA 1 51 LEU MD2 3.500 . 4.200 3.260 3.194 3.325 . 0 0 "[ . 1 ]" 1
774 1 51 LEU H 1 51 LEU HA 2.300 . 3.000 2.875 2.784 2.928 . 0 0 "[ . 1 ]" 1
775 1 51 LEU H 1 51 LEU HB3 2.300 . 2.600 2.473 2.379 2.585 . 0 0 "[ . 1 ]" 1
776 1 51 LEU H 1 51 LEU HB2 2.300 . 2.800 2.631 2.403 2.791 . 0 0 "[ . 1 ]" 1
777 1 51 LEU H 1 51 LEU MD1 4.500 . 5.500 4.252 4.144 4.373 . 0 0 "[ . 1 ]" 1
778 1 51 LEU H 1 51 LEU MD2 4.500 . 5.000 3.955 3.847 4.115 . 0 0 "[ . 1 ]" 1
779 1 51 LEU H 1 52 ARG QG 4.500 . 5.200 4.597 4.201 4.971 . 0 0 "[ . 1 ]" 1
780 1 51 LEU H 1 52 ARG H 4.500 . 5.000 4.603 4.551 4.644 . 0 0 "[ . 1 ]" 1
781 1 37 ILE MD 1 52 ARG HA 4.500 . 6.000 4.723 4.417 5.070 . 0 0 "[ . 1 ]" 1
782 1 40 VAL MG1 1 52 ARG HA 4.500 . 4.800 3.510 2.996 3.903 . 0 0 "[ . 1 ]" 1
783 1 40 VAL MG1 1 52 ARG H 4.500 . 6.200 4.679 4.469 4.971 . 0 0 "[ . 1 ]" 1
784 1 40 VAL MG2 1 52 ARG H 4.500 . 5.000 3.845 3.595 4.261 . 0 0 "[ . 1 ]" 1
785 1 51 LEU HA 1 52 ARG H 2.300 . 2.600 2.276 2.234 2.314 . 0 0 "[ . 1 ]" 1
786 1 51 LEU HB3 1 52 ARG H 3.500 . 4.000 3.870 3.787 3.972 . 0 0 "[ . 1 ]" 1
787 1 51 LEU HB2 1 52 ARG H 3.500 . 4.000 3.996 3.931 4.032 0.032 4 0 "[ . 1 ]" 1
788 1 51 LEU QD 1 52 ARG H 3.500 . 3.800 2.220 2.059 2.384 . 0 0 "[ . 1 ]" 1
789 1 52 ARG HA 1 52 ARG HG3 3.500 . 3.800 3.064 2.605 3.380 . 0 0 "[ . 1 ]" 1
790 1 52 ARG HA 1 52 ARG HG2 3.000 . 3.300 2.490 2.266 2.772 . 0 0 "[ . 1 ]" 1
791 1 52 ARG H 1 52 ARG HA 2.300 . 3.000 2.925 2.910 2.940 . 0 0 "[ . 1 ]" 1
792 1 52 ARG H 1 52 ARG QB 3.000 . 3.500 2.692 2.543 2.887 . 0 0 "[ . 1 ]" 1
793 1 52 ARG H 1 52 ARG QG 3.000 . 3.500 3.242 2.827 3.469 . 0 0 "[ . 1 ]" 1
794 1 52 ARG H 1 53 ALA H 3.500 . 4.500 4.269 4.195 4.338 . 0 0 "[ . 1 ]" 1
795 1 52 ARG H 1 55 ASP H 4.500 . 4.800 4.830 4.693 4.950 0.150 6 0 "[ . 1 ]" 1
796 1 52 ARG H 1 88 VAL QG 4.500 . 4.800 3.292 2.956 3.666 . 0 0 "[ . 1 ]" 1
797 1 37 ILE MD 1 53 ALA HA 4.500 . 4.800 3.118 2.875 3.382 . 0 0 "[ . 1 ]" 1
798 1 37 ILE HB 1 53 ALA H 4.500 . 5.000 4.954 4.756 5.045 0.045 4 0 "[ . 1 ]" 1
799 1 37 ILE MD 1 53 ALA H 4.500 . 6.000 4.557 4.335 4.878 . 0 0 "[ . 1 ]" 1
800 1 39 SER HA 1 53 ALA MB 3.000 . 3.500 2.412 2.081 2.909 . 0 0 "[ . 1 ]" 1
801 1 40 VAL MG1 1 53 ALA MB 4.500 . 6.200 4.184 3.938 4.622 . 0 0 "[ . 1 ]" 1
802 1 40 VAL MG2 1 53 ALA MB 3.500 . 3.800 1.915 1.802 2.204 . 0 0 "[ . 1 ]" 1
803 1 40 VAL MG1 1 53 ALA H 4.500 . 5.000 3.922 3.453 4.277 . 0 0 "[ . 1 ]" 1
804 1 40 VAL MG2 1 53 ALA H 2.300 . 3.000 2.016 1.870 2.346 . 0 0 "[ . 1 ]" 1
805 1 51 LEU HA 1 53 ALA H 4.500 . 6.500 6.188 6.138 6.265 . 0 0 "[ . 1 ]" 1
806 1 52 ARG HA 1 53 ALA MB 4.500 . 5.000 3.962 3.924 4.052 . 0 0 "[ . 1 ]" 1
807 1 52 ARG QB 1 53 ALA MB 4.500 . 6.000 4.240 4.016 4.350 . 0 0 "[ . 1 ]" 1
808 1 52 ARG HA 1 53 ALA H 2.300 . 2.600 2.168 2.153 2.200 . 0 0 "[ . 1 ]" 1
809 1 52 ARG QB 1 53 ALA H 3.000 . 3.500 3.096 2.948 3.186 . 0 0 "[ . 1 ]" 1
810 1 52 ARG QG 1 53 ALA H 4.500 . 5.000 3.974 3.739 4.353 . 0 0 "[ . 1 ]" 1
811 1 53 ALA HA 1 53 ALA MB 2.300 . 2.600 2.098 2.083 2.122 . 0 0 "[ . 1 ]" 1
812 1 53 ALA H 1 53 ALA HA 2.300 . 3.000 2.770 2.727 2.813 . 0 0 "[ . 1 ]" 1
813 1 53 ALA H 1 53 ALA MB 2.300 . 2.800 2.092 2.022 2.212 . 0 0 "[ . 1 ]" 1
814 1 53 ALA HA 1 54 GLN HA 4.500 . 4.800 4.492 4.434 4.582 . 0 0 "[ . 1 ]" 1
815 1 53 ALA MB 1 54 GLN HA 4.500 . 5.500 4.141 3.889 4.311 . 0 0 "[ . 1 ]" 1
816 1 53 ALA MB 1 54 GLN HG3 3.500 . 3.800 2.380 2.229 2.828 . 0 0 "[ . 1 ]" 1
817 1 53 ALA MB 1 54 GLN HG2 4.500 . 4.800 3.606 3.476 4.144 . 0 0 "[ . 1 ]" 1
818 1 53 ALA H 1 54 GLN H 4.500 . 4.800 4.632 4.619 4.641 . 0 0 "[ . 1 ]" 1
819 1 37 ILE HB 1 54 GLN H 3.000 . 3.300 2.262 1.987 2.555 . 0 0 "[ . 1 ]" 1
820 1 37 ILE MD 1 54 GLN H 4.500 . 5.000 4.179 3.841 4.677 . 0 0 "[ . 1 ]" 1
821 1 37 ILE H 1 54 GLN H 4.500 . 4.800 3.534 3.445 3.671 . 0 0 "[ . 1 ]" 1
822 1 40 VAL QG 1 54 GLN H 4.500 . 6.500 4.223 4.013 4.583 . 0 0 "[ . 1 ]" 1
823 1 53 ALA MB 1 54 GLN HE21 4.500 . 4.800 3.717 3.072 4.551 . 0 0 "[ . 1 ]" 1
824 1 53 ALA MB 1 54 GLN HE22 4.500 . 6.000 4.930 4.532 5.345 . 0 0 "[ . 1 ]" 1
825 1 53 ALA HA 1 54 GLN H 2.300 . 2.600 2.305 2.229 2.422 . 0 0 "[ . 1 ]" 1
826 1 53 ALA MB 1 54 GLN H 3.500 . 3.800 2.654 2.311 2.830 . 0 0 "[ . 1 ]" 1
827 1 54 GLN HA 1 54 GLN QB 2.300 . 2.800 2.323 2.311 2.431 . 0 0 "[ . 1 ]" 1
828 1 54 GLN HA 1 54 GLN QG 3.000 . 3.300 2.500 2.371 2.565 . 0 0 "[ . 1 ]" 1
829 1 54 GLN HE21 1 54 GLN HG3 3.500 . 3.800 2.434 2.120 3.011 . 0 0 "[ . 1 ]" 1
830 1 54 GLN HE21 1 54 GLN HG2 3.500 . 3.800 3.059 2.183 3.518 . 0 0 "[ . 1 ]" 1
831 1 54 GLN HE22 1 54 GLN HG3 3.500 . 4.000 3.569 3.439 3.824 . 0 0 "[ . 1 ]" 1
832 1 54 GLN HE22 1 54 GLN HG2 3.500 . 4.000 3.856 3.462 4.071 0.071 12 0 "[ . 1 ]" 1
833 1 54 GLN H 1 54 GLN HA 2.300 . 2.600 2.278 2.269 2.290 . 0 0 "[ . 1 ]" 1
834 1 54 GLN H 1 54 GLN QG 3.000 . 3.500 2.910 2.856 3.051 . 0 0 "[ . 1 ]" 1
835 1 54 GLN HA 1 55 ASP QB 4.500 . 6.200 5.380 5.308 5.503 . 0 0 "[ . 1 ]" 1
836 1 54 GLN H 1 55 ASP QB 4.500 . 6.000 5.014 4.893 5.303 . 0 0 "[ . 1 ]" 1
837 1 54 GLN H 1 55 ASP H 3.000 . 3.300 2.714 2.585 2.989 . 0 0 "[ . 1 ]" 1
838 1 54 GLN HA 1 91 ARG QB 4.500 . 5.500 4.086 2.493 4.801 . 0 0 "[ . 1 ]" 1
839 1 37 ILE HB 1 55 ASP H 2.300 . 3.000 2.665 2.388 2.869 . 0 0 "[ . 1 ]" 1
840 1 37 ILE QG 1 55 ASP H 4.500 . 5.000 3.830 3.566 3.998 . 0 0 "[ . 1 ]" 1
841 1 37 ILE MG 1 55 ASP H 4.500 . 5.500 4.012 3.779 4.204 . 0 0 "[ . 1 ]" 1
842 1 37 ILE MD 1 55 ASP H 3.500 . 4.500 3.453 3.081 3.890 . 0 0 "[ . 1 ]" 1
843 1 38 ARG H 1 55 ASP H 4.500 . 6.500 6.438 6.174 6.558 0.058 11 0 "[ . 1 ]" 1
844 1 51 LEU QD 1 55 ASP QB 4.500 . 6.000 4.034 3.836 4.253 . 0 0 "[ . 1 ]" 1
845 1 51 LEU QD 1 55 ASP H 4.500 . 6.000 4.291 4.124 4.471 . 0 0 "[ . 1 ]" 1
846 1 52 ARG QB 1 55 ASP H 4.500 . 5.000 4.398 4.071 4.657 . 0 0 "[ . 1 ]" 1
847 1 53 ALA HA 1 55 ASP H 3.000 . 3.500 3.203 3.134 3.320 . 0 0 "[ . 1 ]" 1
848 1 53 ALA MB 1 55 ASP H 4.500 . 5.200 4.211 4.165 4.257 . 0 0 "[ . 1 ]" 1
849 1 53 ALA H 1 55 ASP H 4.500 . 5.000 4.803 4.628 4.927 . 0 0 "[ . 1 ]" 1
850 1 54 GLN H 1 55 ASP HA 4.500 . 5.500 5.267 5.196 5.357 . 0 0 "[ . 1 ]" 1
851 1 54 GLN HA 1 55 ASP H 3.000 . 3.500 3.303 3.203 3.463 . 0 0 "[ . 1 ]" 1
852 1 54 GLN QG 1 55 ASP H 4.500 . 5.000 4.273 4.150 4.360 . 0 0 "[ . 1 ]" 1
853 1 55 ASP H 1 55 ASP HA 2.300 . 3.000 2.846 2.803 2.895 . 0 0 "[ . 1 ]" 1
854 1 55 ASP H 1 55 ASP HB3 2.300 . 2.800 2.654 2.521 2.807 0.007 1 0 "[ . 1 ]" 1
855 1 55 ASP H 1 55 ASP HB2 3.500 . 4.000 3.607 3.571 3.631 . 0 0 "[ . 1 ]" 1
856 1 55 ASP H 1 56 ARG H 4.500 . 5.000 4.622 4.568 4.639 . 0 0 "[ . 1 ]" 1
857 1 55 ASP QB 1 57 ILE MD 4.500 . 6.000 4.330 3.868 4.601 . 0 0 "[ . 1 ]" 1
858 1 55 ASP QB 1 88 VAL HB 4.500 . 4.800 1.957 1.798 2.114 0.002 11 0 "[ . 1 ]" 1
859 1 55 ASP QB 1 88 VAL QG 4.500 . 4.800 2.174 1.877 2.487 . 0 0 "[ . 1 ]" 1
860 1 55 ASP H 1 88 VAL HB 4.500 . 5.000 4.989 4.842 5.090 0.090 10 0 "[ . 1 ]" 1
861 1 55 ASP H 1 88 VAL MG1 4.500 . 6.500 5.095 4.851 5.632 . 0 0 "[ . 1 ]" 1
862 1 55 ASP H 1 88 VAL MG2 4.500 . 6.000 4.825 4.557 5.056 . 0 0 "[ . 1 ]" 1
863 1 55 ASP H 1 91 ARG H 4.500 . 5.000 4.636 3.471 5.026 0.026 4 0 "[ . 1 ]" 1
864 1 55 ASP H 1 91 ARG QB 4.500 . 5.200 4.478 4.130 5.352 0.152 6 0 "[ . 1 ]" 1
865 1 55 ASP H 1 92 GLU QG 4.500 . 5.500 5.062 4.422 5.732 0.232 11 0 "[ . 1 ]" 1
866 1 36 PHE QD 1 56 ARG H 4.500 . 6.500 5.262 4.756 6.402 . 0 0 "[ . 1 ]" 1
867 1 55 ASP HA 1 56 ARG QB 4.500 . 5.500 4.550 4.348 4.647 . 0 0 "[ . 1 ]" 1
868 1 55 ASP HA 1 56 ARG H 2.300 . 2.600 2.306 2.144 2.439 . 0 0 "[ . 1 ]" 1
869 1 55 ASP HB3 1 56 ARG H 3.500 . 4.000 3.911 3.764 3.979 . 0 0 "[ . 1 ]" 1
870 1 55 ASP HB2 1 56 ARG H 3.000 . 3.300 2.722 2.419 2.976 . 0 0 "[ . 1 ]" 1
871 1 56 ARG H 1 56 ARG HA 2.300 . 3.000 2.913 2.899 2.934 . 0 0 "[ . 1 ]" 1
872 1 56 ARG H 1 56 ARG QB 3.000 . 3.300 2.521 2.308 2.658 . 0 0 "[ . 1 ]" 1
873 1 56 ARG H 1 57 ILE MD 4.500 . 6.500 5.212 4.675 5.391 . 0 0 "[ . 1 ]" 1
874 1 56 ARG H 1 57 ILE H 3.500 . 4.500 4.402 4.345 4.502 0.002 11 0 "[ . 1 ]" 1
875 1 56 ARG H 1 58 VAL MG2 4.500 . 5.700 4.768 4.513 4.932 . 0 0 "[ . 1 ]" 1
876 1 56 ARG H 1 88 VAL HA 3.500 . 4.500 4.409 4.203 4.516 0.016 1 0 "[ . 1 ]" 1
877 1 56 ARG H 1 88 VAL HB 3.000 . 3.500 3.288 2.758 3.513 0.013 12 0 "[ . 1 ]" 1
878 1 56 ARG H 1 89 VAL HB 3.500 . 3.800 2.805 2.388 3.376 . 0 0 "[ . 1 ]" 1
879 1 56 ARG H 1 89 VAL QG 4.500 . 5.000 3.447 3.238 3.806 . 0 0 "[ . 1 ]" 1
880 1 56 ARG H 1 90 ASP HB3 4.500 . 6.500 6.485 6.058 6.582 0.082 10 0 "[ . 1 ]" 1
881 1 56 ARG H 1 90 ASP HB2 4.500 . 6.500 6.260 5.824 6.476 . 0 0 "[ . 1 ]" 1
882 1 56 ARG H 1 91 ARG H 3.500 . 4.200 4.127 3.824 4.245 0.045 10 0 "[ . 1 ]" 1
883 1 35 GLN QB 1 57 ILE MD 4.500 . 6.500 4.249 3.793 4.864 . 0 0 "[ . 1 ]" 1
884 1 35 GLN HA 1 57 ILE H 4.500 . 6.000 5.466 5.049 6.038 0.038 5 0 "[ . 1 ]" 1
885 1 35 GLN QB 1 57 ILE H 4.500 . 5.700 4.367 3.571 5.214 . 0 0 "[ . 1 ]" 1
886 1 35 GLN H 1 57 ILE H 4.500 . 5.000 4.432 3.907 5.007 0.007 5 0 "[ . 1 ]" 1
887 1 36 PHE HA 1 57 ILE H 3.000 . 3.300 2.946 2.404 3.358 0.058 6 0 "[ . 1 ]" 1
888 1 36 PHE QB 1 57 ILE H 4.500 . 5.500 4.548 3.975 5.345 . 0 0 "[ . 1 ]" 1
889 1 36 PHE QD 1 57 ILE H 4.500 . 5.000 3.194 2.059 5.124 0.124 4 0 "[ . 1 ]" 1
890 1 36 PHE H 1 57 ILE H 4.500 . 5.500 5.075 4.559 5.500 0.000 5 0 "[ . 1 ]" 1
891 1 37 ILE H 1 57 ILE H 4.500 . 4.800 4.466 4.238 4.823 0.023 11 0 "[ . 1 ]" 1
892 1 55 ASP QB 1 57 ILE H 4.500 . 6.000 5.267 5.178 5.431 . 0 0 "[ . 1 ]" 1
893 1 56 ARG HA 1 57 ILE H 2.300 . 2.600 2.149 2.137 2.191 . 0 0 "[ . 1 ]" 1
894 1 56 ARG QB 1 57 ILE H 4.500 . 5.000 3.376 3.162 3.491 . 0 0 "[ . 1 ]" 1
895 1 57 ILE HA 1 57 ILE HB 3.000 . 3.500 3.020 3.016 3.024 . 0 0 "[ . 1 ]" 1
896 1 57 ILE HA 1 57 ILE MD 3.000 . 3.300 2.173 2.027 2.270 . 0 0 "[ . 1 ]" 1
897 1 57 ILE HB 1 57 ILE MD 3.500 . 4.000 3.217 3.213 3.229 . 0 0 "[ . 1 ]" 1
898 1 57 ILE HA 1 57 ILE MG 3.500 . 3.800 2.295 2.218 2.429 . 0 0 "[ . 1 ]" 1
899 1 57 ILE H 1 57 ILE HA 2.300 . 3.000 2.834 2.812 2.855 . 0 0 "[ . 1 ]" 1
900 1 57 ILE H 1 57 ILE MD 3.500 . 4.000 3.218 2.841 3.443 . 0 0 "[ . 1 ]" 1
901 1 57 ILE H 1 57 ILE QG 3.500 . 3.800 1.985 1.949 2.207 . 0 0 "[ . 1 ]" 1
902 1 57 ILE HA 1 58 VAL HB 4.500 . 5.000 4.754 4.724 4.792 . 0 0 "[ . 1 ]" 1
903 1 57 ILE H 1 58 VAL MG2 4.500 . 6.000 4.625 4.464 4.814 . 0 0 "[ . 1 ]" 1
904 1 57 ILE MD 1 86 LEU QB 4.500 . 5.200 3.315 2.976 3.567 . 0 0 "[ . 1 ]" 1
905 1 57 ILE MD 1 86 LEU MD1 4.500 . 5.200 3.232 2.715 3.604 . 0 0 "[ . 1 ]" 1
906 1 57 ILE HA 1 88 VAL MG1 4.500 . 4.800 1.986 1.832 2.239 . 0 0 "[ . 1 ]" 1
907 1 57 ILE H 1 88 VAL HB 4.500 . 4.800 4.580 4.313 4.813 0.013 5 0 "[ . 1 ]" 1
908 1 57 ILE MG 1 58 VAL HA 4.500 . 5.500 3.942 3.777 4.213 . 0 0 "[ . 1 ]" 1
909 1 57 ILE HA 1 58 VAL H 2.300 . 2.600 2.143 2.135 2.163 . 0 0 "[ . 1 ]" 1
910 1 57 ILE HB 1 58 VAL H 3.500 . 4.500 4.195 4.099 4.364 . 0 0 "[ . 1 ]" 1
911 1 57 ILE QG 1 58 VAL H 4.500 . 5.500 4.707 4.660 4.808 . 0 0 "[ . 1 ]" 1
912 1 57 ILE H 1 58 VAL H 3.500 . 4.500 4.492 4.376 4.541 0.041 1 0 "[ . 1 ]" 1
913 1 58 VAL HA 1 58 VAL MG1 3.000 . 3.300 2.284 2.178 2.374 . 0 0 "[ . 1 ]" 1
914 1 58 VAL HA 1 58 VAL MG2 3.000 . 3.300 2.463 2.389 2.530 . 0 0 "[ . 1 ]" 1
915 1 58 VAL HB 1 58 VAL MG2 2.300 . 2.600 2.113 2.092 2.130 . 0 0 "[ . 1 ]" 1
916 1 58 VAL HB 1 58 VAL MG1 2.300 . 2.600 2.105 2.095 2.123 . 0 0 "[ . 1 ]" 1
917 1 58 VAL H 1 58 VAL HA 2.300 . 3.000 2.936 2.896 2.947 . 0 0 "[ . 1 ]" 1
918 1 58 VAL H 1 58 VAL MG1 3.500 . 4.500 3.850 3.800 3.875 . 0 0 "[ . 1 ]" 1
919 1 58 VAL H 1 58 VAL MG2 3.000 . 3.300 2.383 2.174 2.549 . 0 0 "[ . 1 ]" 1
920 1 58 VAL H 1 59 GLU QG 4.500 . 5.500 4.392 4.305 4.565 . 0 0 "[ . 1 ]" 1
921 1 58 VAL H 1 87 LEU QB 3.500 . 4.500 3.736 3.483 4.087 . 0 0 "[ . 1 ]" 1
922 1 58 VAL H 1 87 LEU QD 4.500 . 6.200 4.403 4.145 4.817 . 0 0 "[ . 1 ]" 1
923 1 58 VAL H 1 87 LEU H 3.500 . 4.000 3.802 3.728 3.867 . 0 0 "[ . 1 ]" 1
924 1 58 VAL H 1 88 VAL HA 2.300 . 2.800 2.625 2.488 2.723 . 0 0 "[ . 1 ]" 1
925 1 58 VAL H 1 88 VAL QG 4.500 . 5.000 3.010 2.674 3.299 . 0 0 "[ . 1 ]" 1
926 1 58 VAL H 1 89 VAL H 4.500 . 4.800 4.766 4.421 4.870 0.070 10 0 "[ . 1 ]" 1
927 1 57 ILE HA 1 59 GLU H 3.500 . 4.000 4.021 4.013 4.034 0.034 10 0 "[ . 1 ]" 1
928 1 58 VAL QG 1 59 GLU QG 4.500 . 6.500 3.989 3.914 4.076 . 0 0 "[ . 1 ]" 1
929 1 58 VAL HA 1 59 GLU H 3.500 . 3.800 3.564 3.557 3.574 . 0 0 "[ . 1 ]" 1
930 1 58 VAL HB 1 59 GLU H 2.300 . 2.800 2.514 2.386 2.574 . 0 0 "[ . 1 ]" 1
931 1 58 VAL MG1 1 59 GLU H 3.500 . 4.500 3.596 3.512 3.663 . 0 0 "[ . 1 ]" 1
932 1 58 VAL MG2 1 59 GLU H 3.500 . 4.500 3.658 3.599 3.714 . 0 0 "[ . 1 ]" 1
933 1 58 VAL H 1 59 GLU H 2.300 . 2.600 2.237 2.141 2.481 . 0 0 "[ . 1 ]" 1
934 1 59 GLU HA 1 59 GLU QG 3.500 . 4.000 3.320 3.318 3.324 . 0 0 "[ . 1 ]" 1
935 1 59 GLU H 1 59 GLU HA 2.300 . 3.000 2.926 2.918 2.936 . 0 0 "[ . 1 ]" 1
936 1 59 GLU H 1 59 GLU QG 3.000 . 3.500 2.521 2.458 2.556 . 0 0 "[ . 1 ]" 1
937 1 59 GLU H 1 60 VAL H 3.500 . 4.500 4.414 4.403 4.440 . 0 0 "[ . 1 ]" 1
938 1 59 GLU HA 1 64 CYS HA 2.300 . 2.800 2.474 2.375 2.671 . 0 0 "[ . 1 ]" 1
939 1 59 GLU HA 1 86 LEU HA 4.500 . 5.500 5.425 5.271 5.530 0.030 3 0 "[ . 1 ]" 1
940 1 59 GLU H 1 86 LEU HA 3.500 . 4.500 4.254 4.160 4.388 . 0 0 "[ . 1 ]" 1
941 1 59 GLU H 1 86 LEU QB 4.500 . 5.700 4.626 4.287 4.941 . 0 0 "[ . 1 ]" 1
942 1 59 GLU H 1 86 LEU QD 4.500 . 6.500 4.406 3.933 4.834 . 0 0 "[ . 1 ]" 1
943 1 59 GLU H 1 87 LEU HA 4.500 . 4.800 4.617 4.520 4.757 . 0 0 "[ . 1 ]" 1
944 1 59 GLU H 1 87 LEU QB 3.000 . 3.500 2.585 2.406 2.916 . 0 0 "[ . 1 ]" 1
945 1 59 GLU H 1 87 LEU QD 4.500 . 5.500 3.812 3.499 4.120 . 0 0 "[ . 1 ]" 1
946 1 59 GLU H 1 87 LEU H 3.000 . 3.300 2.566 2.451 2.702 . 0 0 "[ . 1 ]" 1
947 1 59 GLU H 1 87 LEU HG 4.500 . 5.000 4.637 4.215 5.007 0.007 9 0 "[ . 1 ]" 1
948 1 59 GLU H 1 88 VAL HA 3.500 . 4.500 4.430 4.281 4.541 0.041 5 0 "[ . 1 ]" 1
949 1 59 GLU H 1 88 VAL MG1 4.500 . 5.500 4.175 3.838 4.419 . 0 0 "[ . 1 ]" 1
950 1 59 GLU H 1 88 VAL H 4.500 . 5.500 5.252 5.173 5.292 . 0 0 "[ . 1 ]" 1
951 1 59 GLU HA 1 60 VAL H 2.300 . 2.600 2.503 2.468 2.538 . 0 0 "[ . 1 ]" 1
952 1 59 GLU QB 1 60 VAL H 2.300 . 3.000 2.288 2.226 2.319 . 0 0 "[ . 1 ]" 1
953 1 59 GLU QG 1 60 VAL H 3.500 . 3.800 2.832 2.741 2.939 . 0 0 "[ . 1 ]" 1
954 1 60 VAL HA 1 60 VAL MG1 2.300 . 3.000 2.256 2.189 2.293 . 0 0 "[ . 1 ]" 1
955 1 60 VAL HA 1 60 VAL MG2 3.500 . 3.800 2.416 2.381 2.439 . 0 0 "[ . 1 ]" 1
956 1 60 VAL HB 1 60 VAL MG1 2.300 . 2.600 2.096 2.085 2.121 . 0 0 "[ . 1 ]" 1
957 1 60 VAL H 1 60 VAL HA 2.300 . 3.000 2.899 2.888 2.912 . 0 0 "[ . 1 ]" 1
958 1 60 VAL H 1 60 VAL HB 3.000 . 3.300 2.981 2.940 3.023 . 0 0 "[ . 1 ]" 1
959 1 60 VAL H 1 60 VAL MG1 4.500 . 5.000 3.984 3.966 3.997 . 0 0 "[ . 1 ]" 1
960 1 60 VAL H 1 60 VAL MG2 3.500 . 3.800 2.973 2.911 3.026 . 0 0 "[ . 1 ]" 1
961 1 60 VAL H 1 61 ASN H 4.500 . 4.800 3.863 3.817 3.972 . 0 0 "[ . 1 ]" 1
962 1 60 VAL H 1 62 GLY HA3 4.500 . 5.500 5.486 5.434 5.536 0.036 4 0 "[ . 1 ]" 1
963 1 60 VAL H 1 62 GLY HA2 4.500 . 5.200 4.961 4.911 5.033 . 0 0 "[ . 1 ]" 1
964 1 60 VAL H 1 62 GLY H 3.500 . 3.800 3.372 3.306 3.419 . 0 0 "[ . 1 ]" 1
965 1 60 VAL H 1 63 VAL HA 4.500 . 4.800 4.541 4.510 4.606 . 0 0 "[ . 1 ]" 1
966 1 60 VAL H 1 63 VAL HB 3.500 . 4.500 4.437 4.358 4.506 0.006 12 0 "[ . 1 ]" 1
967 1 60 VAL H 1 63 VAL H 3.000 . 3.300 2.905 2.846 2.949 . 0 0 "[ . 1 ]" 1
968 1 60 VAL H 1 64 CYS HA 3.500 . 4.000 3.880 3.839 3.978 . 0 0 "[ . 1 ]" 1
969 1 60 VAL H 1 64 CYS H 4.500 . 5.000 4.764 4.714 4.827 . 0 0 "[ . 1 ]" 1
970 1 60 VAL H 1 65 MET H 4.500 . 4.800 4.599 4.443 4.799 . 0 0 "[ . 1 ]" 1
971 1 60 VAL QG 1 77 ILE HA 3.500 . 4.200 2.643 2.314 3.124 . 0 0 "[ . 1 ]" 1
972 1 60 VAL HA 1 86 LEU HA 2.300 . 2.800 2.579 2.460 2.679 . 0 0 "[ . 1 ]" 1
973 1 60 VAL H 1 86 LEU HA 4.500 . 5.000 4.604 4.457 4.769 . 0 0 "[ . 1 ]" 1
974 1 59 GLU QG 1 61 ASN H 3.500 . 4.500 3.561 3.464 3.737 . 0 0 "[ . 1 ]" 1
975 1 60 VAL HA 1 61 ASN H 2.300 . 2.600 2.161 2.145 2.174 . 0 0 "[ . 1 ]" 1
976 1 60 VAL HB 1 61 ASN H 3.500 . 4.500 4.329 4.257 4.360 . 0 0 "[ . 1 ]" 1
977 1 60 VAL MG1 1 61 ASN H 3.500 . 4.200 2.966 2.782 3.108 . 0 0 "[ . 1 ]" 1
978 1 60 VAL MG2 1 61 ASN H 4.500 . 5.500 4.227 4.202 4.277 . 0 0 "[ . 1 ]" 1
979 1 61 ASN HA 1 61 ASN HB2 3.000 . 3.500 2.563 2.530 2.580 . 0 0 "[ . 1 ]" 1
980 1 61 ASN H 1 61 ASN HA 2.300 . 2.600 2.274 2.272 2.276 . 0 0 "[ . 1 ]" 1
981 1 61 ASN H 1 61 ASN HB3 3.500 . 4.000 3.758 3.718 3.777 . 0 0 "[ . 1 ]" 1
982 1 61 ASN H 1 61 ASN HB2 3.500 . 3.800 3.178 3.167 3.194 . 0 0 "[ . 1 ]" 1
983 1 61 ASN H 1 62 GLY HA3 4.500 . 5.500 5.194 5.163 5.207 . 0 0 "[ . 1 ]" 1
984 1 61 ASN H 1 62 GLY HA2 4.500 . 5.000 4.883 4.837 4.906 . 0 0 "[ . 1 ]" 1
985 1 61 ASN H 1 62 GLY H 3.000 . 3.300 2.550 2.528 2.559 . 0 0 "[ . 1 ]" 1
986 1 61 ASN H 1 63 VAL MG2 4.500 . 5.500 4.329 4.273 4.405 . 0 0 "[ . 1 ]" 1
987 1 61 ASN H 1 84 THR MG 4.500 . 4.800 3.448 2.875 3.853 . 0 0 "[ . 1 ]" 1
988 1 61 ASN HA 1 85 LYS HA 4.500 . 4.800 4.453 4.300 4.615 . 0 0 "[ . 1 ]" 1
989 1 61 ASN H 1 85 LYS HG3 3.500 . 4.500 4.272 4.135 4.397 . 0 0 "[ . 1 ]" 1
990 1 61 ASN H 1 85 LYS HG2 4.500 . 5.200 5.224 5.213 5.239 0.039 10 0 "[ . 1 ]" 1
991 1 61 ASN H 1 85 LYS H 3.000 . 3.300 3.057 2.898 3.190 . 0 0 "[ . 1 ]" 1
992 1 61 ASN H 1 86 LEU HA 3.000 . 3.500 3.284 3.146 3.418 . 0 0 "[ . 1 ]" 1
993 1 61 ASN H 1 86 LEU H 4.500 . 4.800 4.353 4.136 4.513 . 0 0 "[ . 1 ]" 1
994 1 61 ASN H 1 87 LEU H 4.500 . 5.000 4.974 4.881 5.034 0.034 9 0 "[ . 1 ]" 1
995 1 59 GLU QG 1 62 GLY H 3.000 . 3.500 2.612 2.428 2.818 . 0 0 "[ . 1 ]" 1
996 1 60 VAL HA 1 62 GLY H 3.500 . 4.000 3.738 3.596 3.813 . 0 0 "[ . 1 ]" 1
997 1 60 VAL QG 1 62 GLY H 4.500 . 6.200 4.414 4.304 4.485 . 0 0 "[ . 1 ]" 1
998 1 60 VAL HB 1 62 GLY H 4.500 . 5.500 5.207 5.110 5.246 . 0 0 "[ . 1 ]" 1
999 1 61 ASN HA 1 62 GLY HA3 4.500 . 5.000 4.397 4.392 4.402 . 0 0 "[ . 1 ]" 1
1000 1 61 ASN HA 1 62 GLY HA2 4.500 . 5.000 4.703 4.679 4.740 . 0 0 "[ . 1 ]" 1
1001 1 61 ASN HA 1 62 GLY H 2.300 . 3.000 3.001 2.977 3.034 0.034 4 0 "[ . 1 ]" 1
1002 1 61 ASN HB3 1 62 GLY H 3.500 . 4.500 4.023 3.966 4.054 . 0 0 "[ . 1 ]" 1
1003 1 61 ASN HB2 1 62 GLY H 4.500 . 4.800 4.503 4.458 4.523 . 0 0 "[ . 1 ]" 1
1004 1 62 GLY H 1 62 GLY HA3 2.300 . 3.000 2.942 2.935 2.945 . 0 0 "[ . 1 ]" 1
1005 1 62 GLY H 1 62 GLY HA2 2.300 . 2.600 2.401 2.391 2.408 . 0 0 "[ . 1 ]" 1
1006 1 62 GLY HA3 1 63 VAL QG 4.500 . 5.500 3.812 3.727 3.895 . 0 0 "[ . 1 ]" 1
1007 1 62 GLY HA2 1 63 VAL QG 4.500 . 6.000 4.382 4.352 4.405 . 0 0 "[ . 1 ]" 1
1008 1 62 GLY H 1 63 VAL QG 4.500 . 5.500 3.621 3.596 3.653 . 0 0 "[ . 1 ]" 1
1009 1 62 GLY H 1 63 VAL H 2.300 . 2.800 2.617 2.579 2.655 . 0 0 "[ . 1 ]" 1
1010 1 62 GLY H 1 85 LYS HB3 3.500 . 4.500 4.402 4.226 4.515 0.015 11 0 "[ . 1 ]" 1
1011 1 62 GLY H 1 85 LYS HB2 3.000 . 3.300 2.961 2.738 3.178 . 0 0 "[ . 1 ]" 1
1012 1 62 GLY H 1 85 LYS QG 4.500 . 5.200 4.583 4.366 4.845 . 0 0 "[ . 1 ]" 1
1013 1 59 GLU HA 1 63 VAL H 4.500 . 5.000 5.008 4.940 5.022 0.022 11 0 "[ . 1 ]" 1
1014 1 59 GLU QB 1 63 VAL H 3.500 . 4.500 3.566 3.457 3.620 . 0 0 "[ . 1 ]" 1
1015 1 60 VAL HB 1 63 VAL H 3.500 . 4.500 4.475 4.437 4.522 0.022 9 0 "[ . 1 ]" 1
1016 1 60 VAL QG 1 63 VAL H 4.500 . 6.000 4.477 4.458 4.495 . 0 0 "[ . 1 ]" 1
1017 1 61 ASN QB 1 63 VAL QG 4.500 . 5.000 2.986 2.832 3.090 . 0 0 "[ . 1 ]" 1
1018 1 61 ASN HA 1 63 VAL H 3.500 . 4.500 4.529 4.520 4.539 0.039 1 0 "[ . 1 ]" 1
1019 1 61 ASN QB 1 63 VAL H 3.500 . 4.500 3.437 3.345 3.477 . 0 0 "[ . 1 ]" 1
1020 1 61 ASN H 1 63 VAL H 3.500 . 4.500 4.243 4.227 4.258 . 0 0 "[ . 1 ]" 1
1021 1 62 GLY HA3 1 63 VAL H 3.000 . 3.500 3.108 3.070 3.146 . 0 0 "[ . 1 ]" 1
1022 1 62 GLY HA2 1 63 VAL H 3.000 . 3.500 3.448 3.431 3.466 . 0 0 "[ . 1 ]" 1
1023 1 63 VAL HA 1 63 VAL QG 3.000 . 3.300 2.253 2.177 2.329 . 0 0 "[ . 1 ]" 1
1024 1 63 VAL H 1 63 VAL HA 2.300 . 3.000 2.891 2.885 2.904 . 0 0 "[ . 1 ]" 1
1025 1 63 VAL H 1 63 VAL HB 3.500 . 4.000 3.658 3.652 3.667 . 0 0 "[ . 1 ]" 1
1026 1 63 VAL H 1 63 VAL QG 2.300 . 2.800 1.979 1.941 2.018 . 0 0 "[ . 1 ]" 1
1027 1 63 VAL HA 1 64 CYS QB 4.500 . 5.000 4.199 4.175 4.238 . 0 0 "[ . 1 ]" 1
1028 1 63 VAL H 1 64 CYS H 3.500 . 4.500 4.181 4.106 4.232 . 0 0 "[ . 1 ]" 1
1029 1 63 VAL H 1 64 CYS QB 4.500 . 6.200 5.353 5.225 5.433 . 0 0 "[ . 1 ]" 1
1030 1 63 VAL HA 1 65 MET H 4.500 . 5.500 5.322 5.249 5.501 0.001 4 0 "[ . 1 ]" 1
1031 1 58 VAL HB 1 64 CYS HA 4.500 . 5.000 4.957 4.844 5.006 0.006 7 0 "[ . 1 ]" 1
1032 1 59 GLU QG 1 64 CYS HA 3.500 . 4.500 3.939 3.901 3.963 . 0 0 "[ . 1 ]" 1
1033 1 59 GLU HG2 1 64 CYS H 4.500 . 6.200 6.120 5.885 6.209 0.009 2 0 "[ . 1 ]" 1
1034 1 62 GLY H 1 64 CYS H 4.500 . 5.700 5.574 5.458 5.642 . 0 0 "[ . 1 ]" 1
1035 1 63 VAL HA 1 64 CYS HB3 4.500 . 5.000 4.693 4.650 4.766 . 0 0 "[ . 1 ]" 1
1036 1 63 VAL HA 1 64 CYS HB2 4.500 . 5.000 4.735 4.649 4.825 . 0 0 "[ . 1 ]" 1
1037 1 63 VAL HA 1 64 CYS H 2.300 . 2.600 2.205 2.184 2.247 . 0 0 "[ . 1 ]" 1
1038 1 63 VAL HB 1 64 CYS H 3.500 . 4.000 3.887 3.827 3.978 . 0 0 "[ . 1 ]" 1
1039 1 63 VAL QG 1 64 CYS H 4.500 . 5.000 3.712 3.692 3.726 . 0 0 "[ . 1 ]" 1
1040 1 64 CYS H 1 64 CYS HA 2.300 . 3.000 2.898 2.882 2.915 . 0 0 "[ . 1 ]" 1
1041 1 64 CYS H 1 64 CYS HB3 2.300 . 2.600 2.509 2.466 2.584 . 0 0 "[ . 1 ]" 1
1042 1 64 CYS H 1 64 CYS HB2 2.300 . 2.800 2.692 2.606 2.782 . 0 0 "[ . 1 ]" 1
1043 1 64 CYS QB 1 65 MET HA 4.500 . 5.500 4.582 4.520 4.612 . 0 0 "[ . 1 ]" 1
1044 1 64 CYS H 1 65 MET H 3.500 . 4.500 4.238 4.186 4.351 . 0 0 "[ . 1 ]" 1
1045 1 58 VAL HA 1 65 MET H 4.500 . 4.800 4.788 4.666 4.854 0.054 10 0 "[ . 1 ]" 1
1046 1 58 VAL MG1 1 65 MET H 4.500 . 5.000 4.021 3.684 4.251 . 0 0 "[ . 1 ]" 1
1047 1 59 GLU HA 1 65 MET H 3.000 . 3.300 2.741 2.563 2.955 . 0 0 "[ . 1 ]" 1
1048 1 59 GLU HB3 1 65 MET H 3.500 . 3.800 3.812 3.694 3.858 0.058 9 0 "[ . 1 ]" 1
1049 1 59 GLU HB2 1 65 MET H 4.500 . 4.800 3.897 3.826 4.055 . 0 0 "[ . 1 ]" 1
1050 1 59 GLU QG 1 65 MET H 4.500 . 6.000 5.342 5.278 5.470 . 0 0 "[ . 1 ]" 1
1051 1 60 VAL MG2 1 65 MET H 4.500 . 6.500 5.005 4.808 5.263 . 0 0 "[ . 1 ]" 1
1052 1 63 VAL MG2 1 65 MET H 4.500 . 5.500 4.236 4.154 4.454 . 0 0 "[ . 1 ]" 1
1053 1 64 CYS HA 1 65 MET H 2.300 . 2.600 2.174 2.148 2.188 . 0 0 "[ . 1 ]" 1
1054 1 64 CYS HB3 1 65 MET H 3.500 . 4.500 4.416 4.361 4.447 . 0 0 "[ . 1 ]" 1
1055 1 64 CYS HB2 1 65 MET H 3.500 . 4.500 4.484 4.412 4.504 0.004 2 0 "[ . 1 ]" 1
1056 1 65 MET H 1 65 MET HA 2.300 . 3.000 2.942 2.940 2.944 . 0 0 "[ . 1 ]" 1
1057 1 65 MET H 1 66 GLU H 4.500 . 4.800 3.925 3.911 3.958 . 0 0 "[ . 1 ]" 1
1058 1 66 GLU HA 1 66 GLU HB3 3.000 . 3.300 3.018 3.007 3.024 . 0 0 "[ . 1 ]" 1
1059 1 66 GLU HA 1 66 GLU HB2 3.000 . 3.300 2.514 2.441 2.578 . 0 0 "[ . 1 ]" 1
1060 1 66 GLU HA 1 66 GLU QG 2.300 . 3.000 2.314 2.235 2.411 . 0 0 "[ . 1 ]" 1
1061 1 66 GLU H 1 66 GLU HB3 3.000 . 3.300 2.607 2.472 2.720 . 0 0 "[ . 1 ]" 1
1062 1 66 GLU H 1 66 GLU HB2 3.000 . 3.300 2.479 2.380 2.608 . 0 0 "[ . 1 ]" 1
1063 1 66 GLU HA 1 67 GLY H 2.300 . 2.800 2.171 2.142 2.191 . 0 0 "[ . 1 ]" 1
1064 1 66 GLU HB3 1 67 GLY H 3.500 . 4.500 4.354 4.222 4.456 . 0 0 "[ . 1 ]" 1
1065 1 66 GLU HB2 1 67 GLY H 4.500 . 4.800 4.504 4.443 4.537 . 0 0 "[ . 1 ]" 1
1066 1 66 GLU QG 1 67 GLY H 3.500 . 4.000 3.322 3.106 3.376 . 0 0 "[ . 1 ]" 1
1067 1 67 GLY H 1 67 GLY HA3 2.300 . 3.000 2.954 2.941 2.956 . 0 0 "[ . 1 ]" 1
1068 1 67 GLY H 1 67 GLY HA2 2.300 . 2.600 2.460 2.399 2.506 . 0 0 "[ . 1 ]" 1
1069 1 65 MET HA 1 68 LYS QG 4.500 . 4.800 4.039 3.846 4.141 . 0 0 "[ . 1 ]" 1
1070 1 65 MET HA 1 68 LYS H 4.500 . 5.500 5.445 5.206 5.527 0.027 7 0 "[ . 1 ]" 1
1071 1 65 MET QB 1 68 LYS H 3.500 . 4.500 3.713 3.520 3.807 . 0 0 "[ . 1 ]" 1
1072 1 66 GLU HA 1 68 LYS H 3.500 . 4.000 3.721 3.581 3.825 . 0 0 "[ . 1 ]" 1
1073 1 66 GLU HG3 1 68 LYS H 4.500 . 5.500 5.511 5.502 5.530 0.030 9 0 "[ . 1 ]" 1
1074 1 67 GLY HA3 1 68 LYS H 3.500 . 4.000 3.436 3.353 3.478 . 0 0 "[ . 1 ]" 1
1075 1 67 GLY HA2 1 68 LYS H 3.000 . 3.300 3.094 2.995 3.253 . 0 0 "[ . 1 ]" 1
1076 1 67 GLY H 1 68 LYS H 2.300 . 2.600 1.986 1.947 2.185 . 0 0 "[ . 1 ]" 1
1077 1 68 LYS HA 1 68 LYS QB 2.300 . 2.800 2.454 2.446 2.460 . 0 0 "[ . 1 ]" 1
1078 1 68 LYS HA 1 68 LYS QG 3.500 . 3.800 2.611 2.554 2.813 . 0 0 "[ . 1 ]" 1
1079 1 68 LYS H 1 68 LYS HA 2.300 . 3.000 2.775 2.768 2.782 . 0 0 "[ . 1 ]" 1
1080 1 68 LYS H 1 68 LYS QB 2.300 . 3.000 2.288 2.281 2.304 . 0 0 "[ . 1 ]" 1
1081 1 68 LYS HA 1 69 GLN QG 3.500 . 4.500 3.479 3.331 3.843 . 0 0 "[ . 1 ]" 1
1082 1 68 LYS HA 1 69 GLN H 2.300 . 2.600 2.341 2.210 2.538 . 0 0 "[ . 1 ]" 1
1083 1 68 LYS HA 1 72 ASP QB 3.500 . 4.200 3.577 3.259 4.110 . 0 0 "[ . 1 ]" 1
1084 1 68 LYS QB 1 72 ASP QB 3.500 . 3.800 2.580 2.192 2.787 . 0 0 "[ . 1 ]" 1
1085 1 68 LYS QG 1 72 ASP QB 4.500 . 5.000 3.720 3.263 4.022 . 0 0 "[ . 1 ]" 1
1086 1 68 LYS HA 1 73 VAL MG2 4.500 . 5.000 4.126 3.898 4.366 . 0 0 "[ . 1 ]" 1
1087 1 68 LYS QB 1 73 VAL HA 4.500 . 4.800 3.762 3.449 3.998 . 0 0 "[ . 1 ]" 1
1088 1 68 LYS H 1 73 VAL MG2 4.500 . 4.800 4.177 3.699 4.469 . 0 0 "[ . 1 ]" 1
1089 1 68 LYS QB 1 69 GLN QE 4.500 . 6.500 4.841 4.265 5.755 . 0 0 "[ . 1 ]" 1
1090 1 68 LYS QB 1 69 GLN H 3.000 . 3.300 2.565 2.145 2.924 . 0 0 "[ . 1 ]" 1
1091 1 68 LYS QG 1 69 GLN H 4.500 . 4.800 4.124 3.966 4.265 . 0 0 "[ . 1 ]" 1
1092 1 68 LYS H 1 69 GLN H 4.500 . 4.800 4.636 4.616 4.652 . 0 0 "[ . 1 ]" 1
1093 1 69 GLN HA 1 69 GLN QB 2.300 . 2.800 2.340 2.308 2.415 . 0 0 "[ . 1 ]" 1
1094 1 69 GLN HA 1 69 GLN HG3 3.500 . 4.000 3.813 3.738 3.869 . 0 0 "[ . 1 ]" 1
1095 1 69 GLN HA 1 69 GLN HG2 3.000 . 3.300 3.008 2.713 3.230 . 0 0 "[ . 1 ]" 1
1096 1 69 GLN H 1 69 GLN HB3 3.500 . 3.800 3.650 3.587 3.688 . 0 0 "[ . 1 ]" 1
1097 1 69 GLN HA 1 69 GLN HE21 3.500 . 3.800 2.178 1.811 2.597 . 0 0 "[ . 1 ]" 1
1098 1 69 GLN QB 1 69 GLN HE21 3.500 . 3.800 3.011 1.967 3.496 . 0 0 "[ . 1 ]" 1
1099 1 69 GLN HE21 1 69 GLN HG3 3.500 . 3.800 3.482 3.404 3.541 . 0 0 "[ . 1 ]" 1
1100 1 69 GLN HE21 1 69 GLN HG2 3.000 . 3.500 2.525 2.257 3.141 . 0 0 "[ . 1 ]" 1
1101 1 69 GLN HA 1 69 GLN HE22 3.000 . 3.500 3.277 3.091 3.501 0.001 9 0 "[ . 1 ]" 1
1102 1 69 GLN QB 1 69 GLN HE22 3.500 . 4.500 3.823 3.327 4.161 . 0 0 "[ . 1 ]" 1
1103 1 69 GLN HE22 1 69 GLN HG3 3.500 . 4.200 4.058 4.007 4.093 . 0 0 "[ . 1 ]" 1
1104 1 69 GLN HE22 1 69 GLN HG2 3.000 . 3.700 3.602 3.491 3.857 0.157 11 0 "[ . 1 ]" 1
1105 1 69 GLN QB 1 69 GLN QG 2.300 . 2.600 2.007 1.986 2.016 . 0 0 "[ . 1 ]" 1
1106 1 69 GLN H 1 69 GLN HG3 3.500 . 3.800 3.658 3.492 3.803 0.003 12 0 "[ . 1 ]" 1
1107 1 69 GLN H 1 69 GLN HG2 3.500 . 3.800 2.384 2.199 2.642 . 0 0 "[ . 1 ]" 1
1108 1 69 GLN H 1 69 GLN HA 2.300 . 3.000 2.912 2.879 2.930 . 0 0 "[ . 1 ]" 1
1109 1 69 GLN H 1 69 GLN HB2 2.300 . 2.600 2.541 2.357 2.613 0.013 9 0 "[ . 1 ]" 1
1110 1 69 GLN H 1 70 HIS H 4.500 . 4.800 4.580 4.559 4.603 . 0 0 "[ . 1 ]" 1
1111 1 69 GLN H 1 72 ASP HB3 2.300 . 3.000 3.016 3.004 3.032 0.032 10 0 "[ . 1 ]" 1
1112 1 69 GLN H 1 72 ASP HB2 2.300 . 2.600 1.963 1.904 2.099 . 0 0 "[ . 1 ]" 1
1113 1 69 GLN H 1 72 ASP H 3.500 . 4.000 3.804 3.663 4.014 0.014 9 0 "[ . 1 ]" 1
1114 1 69 GLN H 1 73 VAL MG2 3.500 . 4.500 3.565 3.131 3.830 . 0 0 "[ . 1 ]" 1
1115 1 69 GLN H 1 73 VAL H 3.500 . 4.200 4.036 3.945 4.113 . 0 0 "[ . 1 ]" 1
1116 1 68 LYS QB 1 70 HIS H 4.500 . 6.500 5.549 5.487 5.615 . 0 0 "[ . 1 ]" 1
1117 1 69 GLN HA 1 70 HIS H 3.000 . 3.300 2.367 2.341 2.373 . 0 0 "[ . 1 ]" 1
1118 1 69 GLN HB3 1 70 HIS H 3.000 . 3.300 2.534 2.491 2.625 . 0 0 "[ . 1 ]" 1
1119 1 69 GLN HB2 1 70 HIS H 3.000 . 3.700 3.607 3.542 3.761 0.061 4 0 "[ . 1 ]" 1
1120 1 69 GLN QE 1 70 HIS H 3.500 . 4.500 3.753 2.086 4.505 0.005 10 0 "[ . 1 ]" 1
1121 1 70 HIS HA 1 70 HIS HB3 3.000 . 3.300 3.020 3.010 3.027 . 0 0 "[ . 1 ]" 1
1122 1 70 HIS HA 1 70 HIS HB2 3.000 . 3.300 2.517 2.437 2.584 . 0 0 "[ . 1 ]" 1
1123 1 70 HIS H 1 70 HIS HA 2.300 . 2.800 2.743 2.728 2.766 . 0 0 "[ . 1 ]" 1
1124 1 70 HIS H 1 71 GLY H 3.000 . 3.300 3.061 2.981 3.115 . 0 0 "[ . 1 ]" 1
1125 1 70 HIS HA 1 73 VAL HB 3.000 . 3.500 3.266 3.051 3.510 0.010 5 0 "[ . 1 ]" 1
1126 1 70 HIS HA 1 73 VAL MG2 3.500 . 4.200 3.116 2.955 3.246 . 0 0 "[ . 1 ]" 1
1127 1 70 HIS H 1 73 VAL QG 4.500 . 6.500 4.193 4.029 4.388 . 0 0 "[ . 1 ]" 1
1128 1 69 GLN HA 1 71 GLY H 4.500 . 5.000 4.811 4.648 4.912 . 0 0 "[ . 1 ]" 1
1129 1 69 GLN HB3 1 71 GLY H 3.500 . 3.800 3.481 3.060 3.662 . 0 0 "[ . 1 ]" 1
1130 1 69 GLN HB2 1 71 GLY H 3.500 . 4.000 3.805 3.557 3.942 . 0 0 "[ . 1 ]" 1
1131 1 69 GLN QG 1 71 GLY H 4.500 . 6.000 5.199 5.025 5.363 . 0 0 "[ . 1 ]" 1
1132 1 70 HIS HB3 1 71 GLY H 3.000 . 3.300 2.155 2.038 2.286 . 0 0 "[ . 1 ]" 1
1133 1 70 HIS HB2 1 71 GLY H 3.000 . 3.700 3.571 3.427 3.650 . 0 0 "[ . 1 ]" 1
1134 1 71 GLY H 1 71 GLY HA3 2.300 . 2.600 2.295 2.294 2.296 . 0 0 "[ . 1 ]" 1
1135 1 71 GLY H 1 71 GLY HA2 2.300 . 2.800 2.798 2.782 2.825 0.025 4 0 "[ . 1 ]" 1
1136 1 71 GLY H 1 72 ASP QB 4.500 . 5.500 4.572 4.525 4.621 . 0 0 "[ . 1 ]" 1
1137 1 71 GLY H 1 73 VAL H 4.500 . 4.800 4.378 4.301 4.449 . 0 0 "[ . 1 ]" 1
1138 1 71 GLY HA3 1 74 VAL HB 4.500 . 4.800 4.069 3.891 4.215 . 0 0 "[ . 1 ]" 1
1139 1 71 GLY HA3 1 74 VAL QG 4.500 . 5.700 4.003 3.820 4.186 . 0 0 "[ . 1 ]" 1
1140 1 71 GLY HA2 1 74 VAL HB 2.300 . 2.800 2.413 2.232 2.512 . 0 0 "[ . 1 ]" 1
1141 1 71 GLY HA2 1 74 VAL QG 4.500 . 4.800 2.647 2.412 2.876 . 0 0 "[ . 1 ]" 1
1142 1 71 GLY H 1 74 VAL HB 4.500 . 5.000 4.911 4.752 5.001 0.001 4 0 "[ . 1 ]" 1
1143 1 71 GLY H 1 74 VAL MG2 4.500 . 5.200 3.966 3.737 4.146 . 0 0 "[ . 1 ]" 1
1144 1 69 GLN HB3 1 72 ASP H 3.500 . 3.800 3.565 3.235 3.742 . 0 0 "[ . 1 ]" 1
1145 1 69 GLN HB2 1 72 ASP H 2.300 . 2.600 2.586 2.452 2.617 0.017 1 0 "[ . 1 ]" 1
1146 1 69 GLN QG 1 72 ASP H 4.500 . 5.000 4.367 4.261 4.420 . 0 0 "[ . 1 ]" 1
1147 1 70 HIS H 1 72 ASP H 3.500 . 4.000 3.991 3.837 4.013 0.013 6 0 "[ . 1 ]" 1
1148 1 71 GLY QA 1 72 ASP HA 4.500 . 4.800 4.040 4.034 4.049 . 0 0 "[ . 1 ]" 1
1149 1 71 GLY HA3 1 72 ASP H 2.300 . 3.000 2.928 2.888 3.008 0.008 9 0 "[ . 1 ]" 1
1150 1 71 GLY HA2 1 72 ASP H 3.000 . 3.500 3.495 3.466 3.509 0.009 6 0 "[ . 1 ]" 1
1151 1 71 GLY H 1 72 ASP H 2.300 . 2.800 2.690 2.597 2.744 . 0 0 "[ . 1 ]" 1
1152 1 72 ASP HA 1 72 ASP HB3 3.000 . 3.300 2.603 2.562 2.610 . 0 0 "[ . 1 ]" 1
1153 1 72 ASP HA 1 72 ASP HB2 3.000 . 3.500 3.004 3.001 3.016 . 0 0 "[ . 1 ]" 1
1154 1 72 ASP H 1 72 ASP HA 2.300 . 3.000 2.836 2.807 2.859 . 0 0 "[ . 1 ]" 1
1155 1 72 ASP H 1 72 ASP HB3 3.500 . 3.800 3.544 3.538 3.565 . 0 0 "[ . 1 ]" 1
1156 1 72 ASP H 1 72 ASP HB2 2.300 . 2.600 2.275 2.257 2.345 . 0 0 "[ . 1 ]" 1
1157 1 72 ASP HB3 1 73 VAL HA 4.500 . 5.000 4.179 4.146 4.241 . 0 0 "[ . 1 ]" 1
1158 1 72 ASP HB2 1 73 VAL HA 4.500 . 4.800 4.592 4.478 4.619 . 0 0 "[ . 1 ]" 1
1159 1 72 ASP H 1 73 VAL HA 4.500 . 5.500 5.241 5.181 5.328 . 0 0 "[ . 1 ]" 1
1160 1 72 ASP H 1 73 VAL QG 4.500 . 6.000 3.970 3.831 4.089 . 0 0 "[ . 1 ]" 1
1161 1 72 ASP H 1 73 VAL H 2.300 . 2.800 2.614 2.538 2.732 . 0 0 "[ . 1 ]" 1
1162 1 72 ASP H 1 74 VAL HB 4.500 . 5.000 5.003 4.929 5.016 0.016 4 0 "[ . 1 ]" 1
1163 1 72 ASP H 1 74 VAL QG 4.500 . 6.500 4.495 4.425 4.585 . 0 0 "[ . 1 ]" 1
1164 1 72 ASP H 1 74 VAL H 3.500 . 4.000 3.877 3.815 3.955 . 0 0 "[ . 1 ]" 1
1165 1 35 GLN QE 1 73 VAL QG 4.500 . 5.500 2.970 2.103 4.004 . 0 0 "[ . 1 ]" 1
1166 1 68 LYS QB 1 73 VAL MG2 2.300 . 2.600 1.921 1.783 2.129 0.017 9 0 "[ . 1 ]" 1
1167 1 68 LYS QB 1 73 VAL H 3.500 . 4.000 3.443 3.140 3.563 . 0 0 "[ . 1 ]" 1
1168 1 69 GLN QG 1 73 VAL H 4.500 . 6.200 5.607 5.313 5.764 . 0 0 "[ . 1 ]" 1
1169 1 71 GLY HA3 1 73 VAL H 4.500 . 5.000 4.896 4.851 4.961 . 0 0 "[ . 1 ]" 1
1170 1 71 GLY HA2 1 73 VAL H 3.500 . 4.500 4.507 4.500 4.518 0.018 9 0 "[ . 1 ]" 1
1171 1 72 ASP HA 1 73 VAL H 3.500 . 4.000 3.545 3.537 3.553 . 0 0 "[ . 1 ]" 1
1172 1 72 ASP HB3 1 73 VAL H 3.000 . 3.500 3.347 3.270 3.391 . 0 0 "[ . 1 ]" 1
1173 1 72 ASP HB2 1 73 VAL H 3.000 . 3.300 2.632 2.542 2.674 . 0 0 "[ . 1 ]" 1
1174 1 73 VAL HA 1 73 VAL HB 3.000 . 3.300 3.021 3.010 3.024 . 0 0 "[ . 1 ]" 1
1175 1 73 VAL HA 1 73 VAL MG1 2.300 . 3.000 2.266 2.143 2.366 . 0 0 "[ . 1 ]" 1
1176 1 73 VAL HA 1 73 VAL MG2 3.000 . 3.300 2.423 2.358 2.516 . 0 0 "[ . 1 ]" 1
1177 1 73 VAL HB 1 73 VAL MG1 2.300 . 2.600 2.103 2.084 2.129 . 0 0 "[ . 1 ]" 1
1178 1 73 VAL H 1 73 VAL HA 2.300 . 3.000 2.851 2.834 2.865 . 0 0 "[ . 1 ]" 1
1179 1 73 VAL H 1 73 VAL HB 2.300 . 2.800 2.628 2.590 2.729 . 0 0 "[ . 1 ]" 1
1180 1 73 VAL H 1 73 VAL MG1 3.500 . 4.500 3.775 3.770 3.779 . 0 0 "[ . 1 ]" 1
1181 1 73 VAL H 1 73 VAL MG2 2.300 . 3.000 2.154 2.007 2.243 . 0 0 "[ . 1 ]" 1
1182 1 73 VAL HA 1 74 VAL HB 4.500 . 6.000 5.877 5.853 5.898 . 0 0 "[ . 1 ]" 1
1183 1 73 VAL MG1 1 74 VAL HA 4.500 . 5.000 3.799 3.638 3.965 . 0 0 "[ . 1 ]" 1
1184 1 73 VAL MG1 1 74 VAL H 3.500 . 4.500 3.694 3.610 3.826 . 0 0 "[ . 1 ]" 1
1185 1 73 VAL MG2 1 74 VAL H 4.500 . 4.800 3.720 3.635 3.770 . 0 0 "[ . 1 ]" 1
1186 1 73 VAL H 1 74 VAL H 2.300 . 2.600 2.506 2.459 2.560 . 0 0 "[ . 1 ]" 1
1187 1 73 VAL HA 1 76 ALA MB 3.000 . 3.300 2.514 2.335 2.668 . 0 0 "[ . 1 ]" 1
1188 1 73 VAL H 1 76 ALA MB 4.500 . 5.700 4.493 4.380 4.610 . 0 0 "[ . 1 ]" 1
1189 1 70 HIS HA 1 74 VAL QG 4.500 . 5.700 3.338 3.204 3.565 . 0 0 "[ . 1 ]" 1
1190 1 71 GLY HA3 1 74 VAL H 4.500 . 4.800 4.628 4.556 4.744 . 0 0 "[ . 1 ]" 1
1191 1 71 GLY HA2 1 74 VAL H 3.000 . 3.500 3.408 3.315 3.497 . 0 0 "[ . 1 ]" 1
1192 1 71 GLY H 1 74 VAL H 4.500 . 4.800 4.656 4.589 4.726 . 0 0 "[ . 1 ]" 1
1193 1 72 ASP HA 1 74 VAL H 3.500 . 4.500 4.465 4.379 4.516 0.016 6 0 "[ . 1 ]" 1
1194 1 72 ASP HB3 1 74 VAL H 4.500 . 5.500 5.396 5.330 5.437 . 0 0 "[ . 1 ]" 1
1195 1 72 ASP HB2 1 74 VAL H 4.500 . 5.000 4.904 4.859 4.946 . 0 0 "[ . 1 ]" 1
1196 1 73 VAL HB 1 74 VAL HA 3.500 . 4.500 4.154 4.075 4.206 . 0 0 "[ . 1 ]" 1
1197 1 73 VAL H 1 74 VAL QG 4.500 . 6.000 3.836 3.759 3.912 . 0 0 "[ . 1 ]" 1
1198 1 73 VAL HA 1 74 VAL H 3.500 . 3.800 3.518 3.504 3.530 . 0 0 "[ . 1 ]" 1
1199 1 73 VAL HB 1 74 VAL H 2.300 . 2.800 2.668 2.612 2.744 . 0 0 "[ . 1 ]" 1
1200 1 74 VAL HA 1 74 VAL HB 3.000 . 3.300 3.024 3.022 3.026 . 0 0 "[ . 1 ]" 1
1201 1 74 VAL HA 1 74 VAL MG2 3.000 . 3.300 2.456 2.437 2.475 . 0 0 "[ . 1 ]" 1
1202 1 74 VAL HA 1 74 VAL MG1 2.300 . 3.000 2.364 2.252 2.404 . 0 0 "[ . 1 ]" 1
1203 1 74 VAL HB 1 74 VAL MG1 2.300 . 2.600 2.111 2.089 2.129 . 0 0 "[ . 1 ]" 1
1204 1 74 VAL HB 1 74 VAL MG2 2.300 . 2.600 2.095 2.093 2.097 . 0 0 "[ . 1 ]" 1
1205 1 74 VAL H 1 74 VAL HA 2.300 . 3.000 2.833 2.816 2.852 . 0 0 "[ . 1 ]" 1
1206 1 74 VAL H 1 74 VAL HB 2.300 . 2.800 2.578 2.545 2.602 . 0 0 "[ . 1 ]" 1
1207 1 74 VAL H 1 74 VAL MG1 3.500 . 4.500 3.769 3.765 3.773 . 0 0 "[ . 1 ]" 1
1208 1 74 VAL H 1 74 VAL MG2 3.000 . 3.300 2.083 2.040 2.152 . 0 0 "[ . 1 ]" 1
1209 1 74 VAL HB 1 75 SER H 2.300 . 2.800 2.577 2.510 2.667 . 0 0 "[ . 1 ]" 1
1210 1 74 VAL H 1 75 SER HA 4.500 . 5.500 5.226 5.174 5.285 . 0 0 "[ . 1 ]" 1
1211 1 74 VAL H 1 75 SER H 2.300 . 2.800 2.596 2.535 2.674 . 0 0 "[ . 1 ]" 1
1212 1 74 VAL H 1 76 ALA MB 4.500 . 6.000 4.619 4.508 4.688 . 0 0 "[ . 1 ]" 1
1213 1 74 VAL H 1 76 ALA H 3.500 . 4.000 3.955 3.842 4.008 0.008 1 0 "[ . 1 ]" 1
1214 1 71 GLY HA3 1 75 SER H 4.500 . 4.800 4.565 4.463 4.650 . 0 0 "[ . 1 ]" 1
1215 1 71 GLY HA2 1 75 SER H 3.500 . 3.800 3.628 3.590 3.667 . 0 0 "[ . 1 ]" 1
1216 1 71 GLY H 1 75 SER H 4.500 . 5.700 5.725 5.698 5.738 0.038 11 0 "[ . 1 ]" 1
1217 1 72 ASP HA 1 75 SER H 3.500 . 3.800 3.609 3.520 3.656 . 0 0 "[ . 1 ]" 1
1218 1 72 ASP HB3 1 75 SER H 4.500 . 5.500 5.506 5.451 5.525 0.025 9 0 "[ . 1 ]" 1
1219 1 72 ASP HB2 1 75 SER H 4.500 . 5.700 5.586 5.522 5.603 . 0 0 "[ . 1 ]" 1
1220 1 72 ASP H 1 75 SER H 3.500 . 4.500 4.497 4.444 4.524 0.024 5 0 "[ . 1 ]" 1
1221 1 73 VAL HA 1 75 SER H 3.500 . 4.500 4.445 4.351 4.512 0.012 4 0 "[ . 1 ]" 1
1222 1 73 VAL H 1 75 SER H 3.500 . 4.200 4.045 3.960 4.111 . 0 0 "[ . 1 ]" 1
1223 1 74 VAL MG1 1 75 SER HA 4.500 . 4.800 3.627 3.512 3.746 . 0 0 "[ . 1 ]" 1
1224 1 74 VAL MG1 1 75 SER H 3.500 . 4.500 3.552 3.480 3.660 . 0 0 "[ . 1 ]" 1
1225 1 74 VAL MG2 1 75 SER H 4.500 . 4.800 3.759 3.735 3.793 . 0 0 "[ . 1 ]" 1
1226 1 75 SER H 1 75 SER HA 2.300 . 3.000 2.847 2.823 2.868 . 0 0 "[ . 1 ]" 1
1227 1 75 SER H 1 76 ALA MB 4.500 . 5.500 4.178 4.021 4.232 . 0 0 "[ . 1 ]" 1
1228 1 75 SER H 1 76 ALA H 2.300 . 2.600 2.534 2.457 2.602 0.002 4 0 "[ . 1 ]" 1
1229 1 75 SER H 1 77 ILE H 3.500 . 4.500 4.285 4.140 4.379 . 0 0 "[ . 1 ]" 1
1230 1 75 SER HA 1 78 ARG QB 3.000 . 3.300 2.626 2.483 2.765 . 0 0 "[ . 1 ]" 1
1231 1 75 SER H 1 78 ARG QB 4.500 . 5.500 4.895 4.747 5.018 . 0 0 "[ . 1 ]" 1
1232 1 75 SER H 1 78 ARG QD 4.500 . 6.500 6.102 5.664 6.512 0.012 9 0 "[ . 1 ]" 1
1233 1 75 SER H 1 78 ARG H 4.500 . 5.000 4.858 4.724 4.950 . 0 0 "[ . 1 ]" 1
1234 1 60 VAL QG 1 76 ALA HA 4.500 . 4.800 3.488 3.049 3.970 . 0 0 "[ . 1 ]" 1
1235 1 60 VAL MG1 1 76 ALA HA 4.500 . 4.800 3.559 3.094 4.074 . 0 0 "[ . 1 ]" 1
1236 1 60 VAL QG 1 76 ALA MB 3.000 . 3.300 1.874 1.766 2.292 0.034 9 0 "[ . 1 ]" 1
1237 1 72 ASP HA 1 76 ALA H 3.500 . 4.000 3.979 3.869 4.036 0.036 12 0 "[ . 1 ]" 1
1238 1 73 VAL MG1 1 76 ALA MB 4.500 . 5.500 3.360 3.211 3.569 . 0 0 "[ . 1 ]" 1
1239 1 73 VAL MG2 1 76 ALA MB 4.500 . 6.200 4.089 3.899 4.244 . 0 0 "[ . 1 ]" 1
1240 1 73 VAL HA 1 76 ALA H 3.000 . 3.500 3.429 3.323 3.512 0.012 10 0 "[ . 1 ]" 1
1241 1 73 VAL MG1 1 76 ALA H 4.500 . 6.000 4.661 4.582 4.758 . 0 0 "[ . 1 ]" 1
1242 1 73 VAL H 1 76 ALA H 4.500 . 4.800 4.573 4.481 4.658 . 0 0 "[ . 1 ]" 1
1243 1 74 VAL HB 1 76 ALA H 4.500 . 5.000 4.916 4.835 4.986 . 0 0 "[ . 1 ]" 1
1244 1 74 VAL QG 1 76 ALA H 4.500 . 6.200 4.585 4.529 4.660 . 0 0 "[ . 1 ]" 1
1245 1 75 SER HA 1 76 ALA H 3.500 . 3.800 3.517 3.498 3.532 . 0 0 "[ . 1 ]" 1
1246 1 75 SER HB3 1 76 ALA H 3.500 . 4.000 3.674 3.534 3.803 . 0 0 "[ . 1 ]" 1
1247 1 75 SER HB2 1 76 ALA H 2.300 . 2.800 2.735 2.663 2.811 0.011 8 0 "[ . 1 ]" 1
1248 1 76 ALA HA 1 76 ALA MB 2.300 . 2.600 2.117 2.083 2.129 . 0 0 "[ . 1 ]" 1
1249 1 76 ALA H 1 76 ALA HA 2.300 . 3.000 2.787 2.775 2.799 . 0 0 "[ . 1 ]" 1
1250 1 76 ALA H 1 76 ALA MB 2.300 . 2.800 2.167 2.023 2.231 . 0 0 "[ . 1 ]" 1
1251 1 76 ALA H 1 77 ILE HB 4.500 . 5.200 5.026 4.858 5.118 . 0 0 "[ . 1 ]" 1
1252 1 76 ALA H 1 77 ILE H 2.300 . 2.800 2.785 2.747 2.812 0.012 12 0 "[ . 1 ]" 1
1253 1 76 ALA H 1 78 ARG QB 4.500 . 5.500 4.866 4.765 5.042 . 0 0 "[ . 1 ]" 1
1254 1 76 ALA H 1 78 ARG H 3.500 . 4.200 4.077 3.965 4.161 . 0 0 "[ . 1 ]" 1
1255 1 76 ALA HA 1 79 ALA H 3.500 . 3.800 3.452 3.319 3.623 . 0 0 "[ . 1 ]" 1
1256 1 76 ALA H 1 79 ALA H 4.500 . 4.800 4.713 4.459 4.822 0.022 11 0 "[ . 1 ]" 1
1257 1 24 PHE QE 1 77 ILE MD 4.500 . 5.000 3.646 3.012 4.561 . 0 0 "[ . 1 ]" 1
1258 1 24 PHE QE 1 77 ILE MG 4.500 . 5.000 3.593 2.557 5.024 0.024 11 0 "[ . 1 ]" 1
1259 1 60 VAL QG 1 77 ILE H 3.500 . 4.500 3.006 2.836 3.176 . 0 0 "[ . 1 ]" 1
1260 1 60 VAL HB 1 77 ILE H 4.500 . 5.500 5.005 4.760 5.353 . 0 0 "[ . 1 ]" 1
1261 1 73 VAL HA 1 77 ILE H 3.500 . 4.500 4.220 3.666 4.512 0.012 4 0 "[ . 1 ]" 1
1262 1 74 VAL QG 1 77 ILE HB 4.500 . 6.000 3.995 3.667 4.227 . 0 0 "[ . 1 ]" 1
1263 1 74 VAL HA 1 77 ILE H 3.500 . 4.000 3.754 3.621 3.876 . 0 0 "[ . 1 ]" 1
1264 1 74 VAL QG 1 77 ILE H 4.500 . 6.200 4.527 4.311 4.620 . 0 0 "[ . 1 ]" 1
1265 1 74 VAL H 1 77 ILE H 4.500 . 5.200 4.940 4.718 5.024 . 0 0 "[ . 1 ]" 1
1266 1 75 SER HA 1 77 ILE H 3.500 . 4.500 4.422 4.178 4.508 0.008 5 0 "[ . 1 ]" 1
1267 1 76 ALA HA 1 77 ILE H 3.000 . 3.700 3.552 3.525 3.560 . 0 0 "[ . 1 ]" 1
1268 1 76 ALA MB 1 77 ILE H 3.000 . 3.300 2.452 2.370 2.616 . 0 0 "[ . 1 ]" 1
1269 1 77 ILE HA 1 77 ILE HB 3.000 . 3.300 3.022 3.020 3.024 . 0 0 "[ . 1 ]" 1
1270 1 77 ILE HA 1 77 ILE MG 3.000 . 3.300 2.322 2.256 2.459 . 0 0 "[ . 1 ]" 1
1271 1 77 ILE HB 1 77 ILE MD 3.500 . 4.000 3.224 3.215 3.229 . 0 0 "[ . 1 ]" 1
1272 1 77 ILE HA 1 77 ILE MD 3.000 . 3.300 2.044 1.972 2.234 . 0 0 "[ . 1 ]" 1
1273 1 77 ILE MD 1 77 ILE MG 3.000 . 3.500 2.016 1.829 2.115 . 0 0 "[ . 1 ]" 1
1274 1 77 ILE H 1 77 ILE HA 2.300 . 3.000 2.814 2.797 2.845 . 0 0 "[ . 1 ]" 1
1275 1 77 ILE H 1 77 ILE MD 3.500 . 4.000 3.303 3.192 3.516 . 0 0 "[ . 1 ]" 1
1276 1 77 ILE H 1 77 ILE MG 3.500 . 4.500 3.768 3.754 3.776 . 0 0 "[ . 1 ]" 1
1277 1 77 ILE MG 1 78 ARG HA 4.500 . 5.000 3.637 3.404 3.800 . 0 0 "[ . 1 ]" 1
1278 1 77 ILE MG 1 78 ARG QB 4.500 . 6.500 4.356 4.151 4.562 . 0 0 "[ . 1 ]" 1
1279 1 77 ILE H 1 78 ARG H 2.300 . 2.800 2.634 2.519 2.717 . 0 0 "[ . 1 ]" 1
1280 1 77 ILE H 1 79 ALA H 3.500 . 4.500 4.127 3.883 4.314 . 0 0 "[ . 1 ]" 1
1281 1 77 ILE MD 1 84 THR MG 4.500 . 4.800 2.083 1.782 3.047 0.018 5 0 "[ . 1 ]" 1
1282 1 77 ILE MG 1 84 THR HB 4.500 . 5.500 4.328 3.869 4.980 . 0 0 "[ . 1 ]" 1
1283 1 77 ILE H 1 84 THR MG 4.500 . 6.000 4.784 4.490 5.324 . 0 0 "[ . 1 ]" 1
1284 1 77 ILE HA 1 86 LEU MD2 4.500 . 5.000 3.866 2.799 4.472 . 0 0 "[ . 1 ]" 1
1285 1 77 ILE MD 1 86 LEU MD1 4.500 . 4.800 2.192 1.828 2.658 . 0 0 "[ . 1 ]" 1
1286 1 77 ILE MD 1 86 LEU MD2 2.300 . 3.000 1.902 1.799 2.093 0.001 2 0 "[ . 1 ]" 1
1287 1 60 VAL QG 1 78 ARG H 4.500 . 6.500 4.665 4.467 4.995 . 0 0 "[ . 1 ]" 1
1288 1 74 VAL QG 1 78 ARG H 4.500 . 6.500 4.354 4.247 4.499 . 0 0 "[ . 1 ]" 1
1289 1 75 SER QB 1 78 ARG H 4.500 . 5.500 4.716 4.550 4.869 . 0 0 "[ . 1 ]" 1
1290 1 76 ALA HA 1 78 ARG H 3.500 . 4.500 4.318 4.155 4.496 . 0 0 "[ . 1 ]" 1
1291 1 76 ALA MB 1 78 ARG H 4.500 . 5.500 4.401 4.295 4.488 . 0 0 "[ . 1 ]" 1
1292 1 77 ILE HA 1 78 ARG H 3.000 . 3.500 3.514 3.495 3.533 0.033 3 0 "[ . 1 ]" 1
1293 1 77 ILE HB 1 78 ARG H 2.300 . 3.000 2.717 2.576 2.848 . 0 0 "[ . 1 ]" 1
1294 1 77 ILE MD 1 78 ARG H 4.500 . 5.700 4.698 4.635 4.774 . 0 0 "[ . 1 ]" 1
1295 1 77 ILE MG 1 78 ARG H 4.500 . 4.800 3.600 3.475 3.714 . 0 0 "[ . 1 ]" 1
1296 1 78 ARG HA 1 78 ARG HB3 3.000 . 3.300 3.019 3.008 3.026 . 0 0 "[ . 1 ]" 1
1297 1 78 ARG HA 1 78 ARG HB2 2.300 . 2.800 2.518 2.447 2.581 . 0 0 "[ . 1 ]" 1
1298 1 78 ARG HA 1 78 ARG QD 4.500 . 4.800 3.981 3.796 4.145 . 0 0 "[ . 1 ]" 1
1299 1 78 ARG HA 1 78 ARG QG 3.500 . 3.800 2.392 2.284 2.535 . 0 0 "[ . 1 ]" 1
1300 1 78 ARG HB3 1 78 ARG QD 3.000 . 3.300 2.582 2.129 3.107 . 0 0 "[ . 1 ]" 1
1301 1 78 ARG HB2 1 78 ARG QD 3.000 . 3.300 2.412 2.144 2.641 . 0 0 "[ . 1 ]" 1
1302 1 78 ARG H 1 78 ARG HA 2.300 . 3.000 2.838 2.796 2.864 . 0 0 "[ . 1 ]" 1
1303 1 78 ARG H 1 78 ARG QD 4.500 . 5.000 4.467 4.276 4.774 . 0 0 "[ . 1 ]" 1
1304 1 78 ARG H 1 78 ARG QG 3.500 . 4.500 3.964 3.933 3.980 . 0 0 "[ . 1 ]" 1
1305 1 78 ARG HB3 1 79 ALA H 3.500 . 4.000 2.666 2.452 2.911 . 0 0 "[ . 1 ]" 1
1306 1 78 ARG HB2 1 79 ALA H 3.500 . 4.000 3.826 3.682 3.961 . 0 0 "[ . 1 ]" 1
1307 1 78 ARG H 1 79 ALA H 2.300 . 2.800 2.567 2.442 2.732 . 0 0 "[ . 1 ]" 1
1308 1 78 ARG H 1 80 GLY H 3.500 . 4.000 3.873 3.767 4.010 0.010 9 0 "[ . 1 ]" 1
1309 1 75 SER HB3 1 79 ALA H 4.500 . 4.800 4.798 4.658 4.821 0.021 1 0 "[ . 1 ]" 1
1310 1 75 SER HB2 1 79 ALA H 4.500 . 5.700 5.677 5.457 5.715 0.015 6 0 "[ . 1 ]" 1
1311 1 77 ILE MG 1 79 ALA H 4.500 . 6.500 5.068 4.967 5.166 . 0 0 "[ . 1 ]" 1
1312 1 78 ARG HA 1 79 ALA H 3.500 . 3.800 3.520 3.471 3.553 . 0 0 "[ . 1 ]" 1
1313 1 78 ARG QD 1 79 ALA H 4.500 . 5.500 4.915 4.302 5.391 . 0 0 "[ . 1 ]" 1
1314 1 78 ARG QG 1 79 ALA H 3.500 . 4.500 3.870 3.605 4.168 . 0 0 "[ . 1 ]" 1
1315 1 79 ALA HA 1 79 ALA MB 2.300 . 2.600 2.108 2.094 2.127 . 0 0 "[ . 1 ]" 1
1316 1 79 ALA H 1 79 ALA HA 2.300 . 3.000 2.896 2.893 2.898 . 0 0 "[ . 1 ]" 1
1317 1 79 ALA H 1 79 ALA MB 2.300 . 2.800 2.214 2.128 2.286 . 0 0 "[ . 1 ]" 1
1318 1 79 ALA H 1 80 GLY H 2.300 . 2.800 2.596 2.586 2.608 . 0 0 "[ . 1 ]" 1
1319 1 79 ALA H 1 81 GLY H 4.500 . 5.000 4.680 4.618 4.739 . 0 0 "[ . 1 ]" 1
1320 1 60 VAL MG1 1 80 GLY H 4.500 . 5.500 4.590 4.076 5.116 . 0 0 "[ . 1 ]" 1
1321 1 77 ILE MD 1 80 GLY H 4.500 . 6.500 5.156 5.051 5.414 . 0 0 "[ . 1 ]" 1
1322 1 77 ILE MG 1 80 GLY H 4.500 . 5.500 4.350 4.076 4.616 . 0 0 "[ . 1 ]" 1
1323 1 78 ARG HA 1 80 GLY H 3.500 . 4.000 3.677 3.577 3.767 . 0 0 "[ . 1 ]" 1
1324 1 78 ARG QB 1 80 GLY H 4.500 . 5.000 4.419 4.305 4.500 . 0 0 "[ . 1 ]" 1
1325 1 79 ALA H 1 80 GLY QA 4.500 . 5.000 4.284 4.281 4.289 . 0 0 "[ . 1 ]" 1
1326 1 79 ALA HA 1 80 GLY H 3.000 . 3.300 3.232 3.228 3.233 . 0 0 "[ . 1 ]" 1
1327 1 79 ALA MB 1 80 GLY H 3.500 . 4.200 3.398 3.384 3.411 . 0 0 "[ . 1 ]" 1
1328 1 80 GLY H 1 80 GLY QA 2.300 . 2.600 2.238 2.201 2.258 . 0 0 "[ . 1 ]" 1
1329 1 80 GLY QA 1 81 GLY H 3.000 . 3.500 2.910 2.874 2.945 . 0 0 "[ . 1 ]" 1
1330 1 80 GLY H 1 81 GLY QA 4.500 . 5.200 4.493 4.430 4.613 . 0 0 "[ . 1 ]" 1
1331 1 80 GLY H 1 81 GLY H 2.300 . 2.800 2.746 2.657 2.816 0.016 6 0 "[ . 1 ]" 1
1332 1 78 ARG HA 1 81 GLY H 4.500 . 5.200 5.053 4.888 5.200 0.000 9 0 "[ . 1 ]" 1
1333 1 79 ALA HA 1 81 GLY H 3.000 . 3.300 3.221 3.112 3.280 . 0 0 "[ . 1 ]" 1
1334 1 79 ALA MB 1 81 GLY H 4.500 . 5.000 4.213 4.076 4.268 . 0 0 "[ . 1 ]" 1
1335 1 81 GLY H 1 81 GLY HA3 2.300 . 2.800 2.749 2.734 2.752 . 0 0 "[ . 1 ]" 1
1336 1 81 GLY H 1 81 GLY HA2 2.300 . 2.600 2.297 2.294 2.300 . 0 0 "[ . 1 ]" 1
1337 1 81 GLY H 1 82 ASP H 4.500 . 4.800 4.601 4.555 4.630 . 0 0 "[ . 1 ]" 1
1338 1 81 GLY H 1 83 GLU H 4.500 . 5.500 5.311 5.184 5.405 . 0 0 "[ . 1 ]" 1
1339 1 81 GLY HA3 1 82 ASP H 3.000 . 3.300 2.179 2.144 2.218 . 0 0 "[ . 1 ]" 1
1340 1 81 GLY HA2 1 82 ASP H 3.000 . 3.300 3.078 2.990 3.174 . 0 0 "[ . 1 ]" 1
1341 1 82 ASP HA 1 82 ASP QB 2.300 . 2.800 2.394 2.312 2.455 . 0 0 "[ . 1 ]" 1
1342 1 82 ASP H 1 82 ASP HA 2.300 . 3.000 2.899 2.884 2.915 . 0 0 "[ . 1 ]" 1
1343 1 82 ASP H 1 82 ASP HB3 3.500 . 3.800 3.606 3.555 3.645 . 0 0 "[ . 1 ]" 1
1344 1 82 ASP H 1 82 ASP HB2 3.500 . 3.800 2.411 2.276 2.612 . 0 0 "[ . 1 ]" 1
1345 1 82 ASP HA 1 83 GLU H 3.500 . 3.800 3.461 3.448 3.464 . 0 0 "[ . 1 ]" 1
1346 1 16 LYS QG 1 83 GLU QG 4.500 . 4.800 2.868 2.400 3.322 . 0 0 "[ . 1 ]" 1
1347 1 16 LYS HA 1 83 GLU H 4.500 . 5.000 4.940 4.849 5.007 0.007 12 0 "[ . 1 ]" 1
1348 1 16 LYS QG 1 83 GLU H 4.500 . 6.000 5.175 4.929 5.678 . 0 0 "[ . 1 ]" 1
1349 1 17 LYS HB3 1 83 GLU H 4.500 . 5.000 4.973 4.727 5.033 0.033 11 0 "[ . 1 ]" 1
1350 1 17 LYS HB2 1 83 GLU H 4.500 . 6.000 5.667 5.445 5.964 . 0 0 "[ . 1 ]" 1
1351 1 81 GLY HA3 1 83 GLU H 3.000 . 3.500 3.442 3.383 3.511 0.011 8 0 "[ . 1 ]" 1
1352 1 81 GLY HA2 1 83 GLU H 4.500 . 4.800 4.691 4.636 4.773 . 0 0 "[ . 1 ]" 1
1353 1 82 ASP HB3 1 83 GLU H 3.500 . 4.200 3.903 3.752 4.073 . 0 0 "[ . 1 ]" 1
1354 1 82 ASP HB2 1 83 GLU H 3.000 . 3.300 3.038 2.993 3.105 . 0 0 "[ . 1 ]" 1
1355 1 82 ASP H 1 83 GLU H 3.000 . 3.300 2.313 2.230 2.384 . 0 0 "[ . 1 ]" 1
1356 1 83 GLU HA 1 83 GLU HB3 3.000 . 3.300 3.015 3.008 3.026 . 0 0 "[ . 1 ]" 1
1357 1 83 GLU HA 1 83 GLU HB2 3.000 . 3.300 2.546 2.479 2.584 . 0 0 "[ . 1 ]" 1
1358 1 83 GLU HA 1 83 GLU QG 3.000 . 3.300 2.362 2.246 2.446 . 0 0 "[ . 1 ]" 1
1359 1 83 GLU H 1 83 GLU HA 2.300 . 3.000 2.942 2.931 2.948 . 0 0 "[ . 1 ]" 1
1360 1 83 GLU H 1 83 GLU HB3 2.300 . 3.000 2.705 2.552 2.790 . 0 0 "[ . 1 ]" 1
1361 1 83 GLU H 1 83 GLU HB2 2.300 . 3.000 2.792 2.673 2.986 . 0 0 "[ . 1 ]" 1
1362 1 83 GLU H 1 83 GLU QG 4.500 . 4.800 4.072 4.028 4.121 . 0 0 "[ . 1 ]" 1
1363 1 83 GLU HA 1 84 THR HA 4.500 . 4.800 4.391 4.386 4.394 . 0 0 "[ . 1 ]" 1
1364 1 83 GLU H 1 84 THR HA 4.500 . 5.000 4.941 4.784 5.028 0.028 11 0 "[ . 1 ]" 1
1365 1 83 GLU H 1 84 THR H 3.500 . 4.500 4.289 4.177 4.361 . 0 0 "[ . 1 ]" 1
1366 1 14 THR HA 1 84 THR H 4.500 . 5.000 4.816 4.668 4.971 . 0 0 "[ . 1 ]" 1
1367 1 14 THR MG 1 84 THR H 4.500 . 5.200 3.962 3.730 4.187 . 0 0 "[ . 1 ]" 1
1368 1 15 MET QG 1 84 THR H 3.500 . 4.200 3.472 3.046 3.884 . 0 0 "[ . 1 ]" 1
1369 1 16 LYS HA 1 84 THR H 3.000 . 3.300 3.119 2.852 3.250 . 0 0 "[ . 1 ]" 1
1370 1 16 LYS HB3 1 84 THR H 4.500 . 6.000 5.564 5.325 5.757 . 0 0 "[ . 1 ]" 1
1371 1 16 LYS HB2 1 84 THR H 4.500 . 6.000 5.942 5.621 6.019 0.019 7 0 "[ . 1 ]" 1
1372 1 16 LYS QG 1 84 THR H 4.500 . 5.000 4.182 3.888 4.313 . 0 0 "[ . 1 ]" 1
1373 1 17 LYS HB3 1 84 THR H 4.500 . 5.700 5.691 5.576 5.726 0.026 5 0 "[ . 1 ]" 1
1374 1 17 LYS HB2 1 84 THR H 4.500 . 5.500 5.378 5.159 5.516 0.016 4 0 "[ . 1 ]" 1
1375 1 60 VAL MG1 1 84 THR HB 4.500 . 6.000 4.837 4.395 5.139 . 0 0 "[ . 1 ]" 1
1376 1 77 ILE MG 1 84 THR MG 4.500 . 5.000 2.559 2.203 3.051 . 0 0 "[ . 1 ]" 1
1377 1 83 GLU HA 1 84 THR H 2.300 . 2.600 2.145 2.140 2.148 . 0 0 "[ . 1 ]" 1
1378 1 83 GLU HB3 1 84 THR H 3.500 . 4.500 4.221 4.162 4.282 . 0 0 "[ . 1 ]" 1
1379 1 83 GLU HB2 1 84 THR H 3.500 . 4.500 4.439 4.360 4.480 . 0 0 "[ . 1 ]" 1
1380 1 83 GLU QG 1 84 THR H 3.000 . 3.500 3.070 3.019 3.142 . 0 0 "[ . 1 ]" 1
1381 1 84 THR HA 1 84 THR HB 3.000 . 3.300 3.015 3.008 3.022 . 0 0 "[ . 1 ]" 1
1382 1 84 THR HB 1 84 THR MG 2.300 . 2.600 2.080 2.072 2.099 . 0 0 "[ . 1 ]" 1
1383 1 84 THR HA 1 84 THR MG 3.500 . 3.800 2.278 2.191 2.422 . 0 0 "[ . 1 ]" 1
1384 1 84 THR H 1 84 THR HA 2.300 . 3.000 2.944 2.941 2.948 . 0 0 "[ . 1 ]" 1
1385 1 84 THR H 1 84 THR MG 4.500 . 4.800 3.871 3.852 3.885 . 0 0 "[ . 1 ]" 1
1386 1 84 THR MG 1 85 LYS HA 4.500 . 5.500 4.447 4.218 4.596 . 0 0 "[ . 1 ]" 1
1387 1 84 THR H 1 85 LYS HG3 4.500 . 5.500 5.265 5.022 5.506 0.006 5 0 "[ . 1 ]" 1
1388 1 84 THR H 1 85 LYS H 3.500 . 4.200 4.080 3.997 4.213 0.013 5 0 "[ . 1 ]" 1
1389 1 84 THR H 1 85 LYS HG2 4.500 . 5.200 4.858 4.665 5.054 . 0 0 "[ . 1 ]" 1
1390 1 84 THR HA 1 86 LEU H 4.500 . 5.500 5.225 5.147 5.329 . 0 0 "[ . 1 ]" 1
1391 1 14 THR MG 1 85 LYS H 4.500 . 5.500 4.331 4.032 4.646 . 0 0 "[ . 1 ]" 1
1392 1 60 VAL MG1 1 85 LYS H 4.500 . 6.500 4.499 4.244 4.775 . 0 0 "[ . 1 ]" 1
1393 1 61 ASN HA 1 85 LYS QB 3.500 . 3.800 2.386 2.224 2.545 . 0 0 "[ . 1 ]" 1
1394 1 61 ASN HA 1 85 LYS H 2.300 . 2.600 2.258 1.978 2.611 0.011 11 0 "[ . 1 ]" 1
1395 1 61 ASN QB 1 85 LYS H 3.500 . 4.200 3.591 3.450 3.791 . 0 0 "[ . 1 ]" 1
1396 1 84 THR HA 1 85 LYS H 2.300 . 2.600 2.190 2.135 2.223 . 0 0 "[ . 1 ]" 1
1397 1 84 THR HB 1 85 LYS H 3.500 . 4.500 4.352 4.277 4.401 . 0 0 "[ . 1 ]" 1
1398 1 84 THR MG 1 85 LYS H 3.500 . 4.200 3.238 2.829 3.369 . 0 0 "[ . 1 ]" 1
1399 1 85 LYS HA 1 85 LYS QG 3.500 . 3.800 2.600 2.558 2.635 . 0 0 "[ . 1 ]" 1
1400 1 85 LYS H 1 85 LYS HA 2.300 . 3.000 2.892 2.861 2.915 . 0 0 "[ . 1 ]" 1
1401 1 85 LYS H 1 85 LYS HB3 3.500 . 3.800 3.626 3.594 3.657 . 0 0 "[ . 1 ]" 1
1402 1 85 LYS H 1 85 LYS HB2 2.300 . 2.800 2.730 2.692 2.746 . 0 0 "[ . 1 ]" 1
1403 1 85 LYS H 1 85 LYS HG3 2.300 . 2.600 2.164 1.974 2.249 . 0 0 "[ . 1 ]" 1
1404 1 85 LYS H 1 85 LYS HG2 2.300 . 3.000 2.856 2.690 3.005 0.005 3 0 "[ . 1 ]" 1
1405 1 85 LYS H 1 86 LEU H 3.500 . 4.200 4.186 4.131 4.224 0.024 2 0 "[ . 1 ]" 1
1406 1 85 LYS H 1 86 LEU QB 4.500 . 6.500 5.752 5.633 5.846 . 0 0 "[ . 1 ]" 1
1407 1 85 LYS H 1 86 LEU MD2 4.500 . 6.200 4.300 3.446 5.238 . 0 0 "[ . 1 ]" 1
1408 1 12 LEU HG 1 86 LEU H 4.500 . 5.500 5.393 5.109 5.505 0.005 8 0 "[ . 1 ]" 1
1409 1 13 CYS HA 1 86 LEU H 4.500 . 5.200 5.007 4.906 5.145 . 0 0 "[ . 1 ]" 1
1410 1 13 CYS HB3 1 86 LEU H 3.500 . 3.800 3.549 3.388 3.787 . 0 0 "[ . 1 ]" 1
1411 1 13 CYS HB2 1 86 LEU H 4.500 . 5.500 5.166 5.014 5.401 . 0 0 "[ . 1 ]" 1
1412 1 14 THR HA 1 86 LEU H 2.300 . 3.000 2.923 2.746 3.017 0.017 3 0 "[ . 1 ]" 1
1413 1 14 THR MG 1 86 LEU H 4.500 . 5.700 4.345 4.175 4.608 . 0 0 "[ . 1 ]" 1
1414 1 60 VAL HA 1 86 LEU H 4.500 . 5.000 4.829 4.610 4.951 . 0 0 "[ . 1 ]" 1
1415 1 84 THR MG 1 86 LEU H 4.500 . 5.000 4.028 3.736 4.237 . 0 0 "[ . 1 ]" 1
1416 1 85 LYS HA 1 86 LEU H 2.300 . 2.600 2.211 2.195 2.239 . 0 0 "[ . 1 ]" 1
1417 1 85 LYS HB3 1 86 LEU H 3.500 . 4.200 3.941 3.896 3.994 . 0 0 "[ . 1 ]" 1
1418 1 85 LYS HB2 1 86 LEU H 3.500 . 4.500 4.328 4.311 4.356 . 0 0 "[ . 1 ]" 1
1419 1 86 LEU HB2 1 86 LEU MD1 2.300 . 3.000 2.258 2.064 2.468 . 0 0 "[ . 1 ]" 1
1420 1 86 LEU H 1 86 LEU QB 3.000 . 3.300 2.518 2.371 2.670 . 0 0 "[ . 1 ]" 1
1421 1 86 LEU H 1 86 LEU MD1 4.500 . 5.000 3.782 3.556 4.236 . 0 0 "[ . 1 ]" 1
1422 1 86 LEU H 1 86 LEU MD2 4.500 . 5.000 3.623 3.168 4.133 . 0 0 "[ . 1 ]" 1
1423 1 86 LEU H 1 87 LEU H 3.500 . 4.500 4.478 4.428 4.517 0.017 4 0 "[ . 1 ]" 1
1424 1 86 LEU HB3 1 88 VAL QG 4.500 . 4.800 2.951 2.811 3.166 . 0 0 "[ . 1 ]" 1
1425 1 86 LEU HB2 1 88 VAL QG 4.500 . 5.500 3.530 3.186 3.821 . 0 0 "[ . 1 ]" 1
1426 1 12 LEU HA 1 87 LEU HA 2.300 . 2.600 2.477 2.300 2.609 0.009 5 0 "[ . 1 ]" 1
1427 1 12 LEU HA 1 87 LEU H 4.500 . 5.200 5.157 5.001 5.260 0.060 9 0 "[ . 1 ]" 1
1428 1 57 ILE HA 1 87 LEU H 4.500 . 5.000 4.925 4.694 5.006 0.006 9 0 "[ . 1 ]" 1
1429 1 57 ILE MG 1 87 LEU H 4.500 . 5.200 3.983 3.748 4.405 . 0 0 "[ . 1 ]" 1
1430 1 58 VAL HB 1 87 LEU H 3.500 . 4.200 4.109 4.001 4.220 0.020 4 0 "[ . 1 ]" 1
1431 1 59 GLU QG 1 87 LEU H 3.000 . 3.300 1.987 1.836 2.108 . 0 0 "[ . 1 ]" 1
1432 1 60 VAL HA 1 87 LEU H 3.500 . 4.000 3.974 3.843 4.021 0.021 4 0 "[ . 1 ]" 1
1433 1 60 VAL MG2 1 87 LEU H 4.500 . 5.500 4.206 4.042 4.343 . 0 0 "[ . 1 ]" 1
1434 1 60 VAL H 1 87 LEU H 4.500 . 5.000 4.819 4.701 4.904 . 0 0 "[ . 1 ]" 1
1435 1 62 GLY H 1 87 LEU H 4.500 . 5.500 5.405 5.146 5.513 0.013 6 0 "[ . 1 ]" 1
1436 1 86 LEU HA 1 87 LEU H 2.300 . 2.600 2.160 2.137 2.190 . 0 0 "[ . 1 ]" 1
1437 1 86 LEU HB3 1 87 LEU H 3.000 . 3.300 3.085 2.953 3.264 . 0 0 "[ . 1 ]" 1
1438 1 86 LEU HB2 1 87 LEU H 3.500 . 4.500 4.026 3.823 4.257 . 0 0 "[ . 1 ]" 1
1439 1 86 LEU QD 1 87 LEU H 4.500 . 5.000 3.441 3.056 3.774 . 0 0 "[ . 1 ]" 1
1440 1 86 LEU MD1 1 87 LEU H 4.500 . 6.000 4.942 4.624 5.145 . 0 0 "[ . 1 ]" 1
1441 1 87 LEU HA 1 87 LEU MD1 3.000 . 3.300 2.380 2.249 2.479 . 0 0 "[ . 1 ]" 1
1442 1 87 LEU QB 1 87 LEU MD1 3.000 . 3.300 2.126 2.063 2.232 . 0 0 "[ . 1 ]" 1
1443 1 87 LEU QB 1 87 LEU HG 2.300 . 2.800 2.451 2.448 2.453 . 0 0 "[ . 1 ]" 1
1444 1 87 LEU H 1 87 LEU HA 2.300 . 3.000 2.951 2.948 2.957 . 0 0 "[ . 1 ]" 1
1445 1 87 LEU H 1 87 LEU HG 4.500 . 4.800 4.485 4.362 4.570 . 0 0 "[ . 1 ]" 1
1446 1 87 LEU H 1 88 VAL QG 4.500 . 5.500 3.629 3.507 3.776 . 0 0 "[ . 1 ]" 1
1447 1 87 LEU H 1 88 VAL H 3.500 . 4.500 4.175 4.125 4.223 . 0 0 "[ . 1 ]" 1
1448 1 11 ARG HB2 1 88 VAL MG2 3.500 . 4.200 3.137 2.270 3.942 . 0 0 "[ . 1 ]" 1
1449 1 11 ARG HA 1 88 VAL H 4.500 . 5.500 5.303 5.124 5.497 . 0 0 "[ . 1 ]" 1
1450 1 12 LEU HA 1 88 VAL H 3.500 . 4.000 3.723 3.325 3.983 . 0 0 "[ . 1 ]" 1
1451 1 13 CYS HA 1 88 VAL H 4.500 . 6.000 5.679 5.385 6.003 0.003 3 0 "[ . 1 ]" 1
1452 1 55 ASP HB3 1 88 VAL HB 3.500 . 3.800 3.550 3.435 3.713 . 0 0 "[ . 1 ]" 1
1453 1 55 ASP HB2 1 88 VAL HB 2.300 . 2.600 1.967 1.804 2.129 . 0 0 "[ . 1 ]" 1
1454 1 55 ASP HB3 1 88 VAL QG 3.500 . 4.500 2.917 2.611 3.219 . 0 0 "[ . 1 ]" 1
1455 1 55 ASP HB2 1 88 VAL QG 3.000 . 3.500 2.246 1.909 2.589 . 0 0 "[ . 1 ]" 1
1456 1 55 ASP QB 1 88 VAL MG2 3.000 . 3.500 2.208 1.892 2.547 . 0 0 "[ . 1 ]" 1
1457 1 57 ILE HA 1 88 VAL HA 2.300 . 3.000 2.725 2.485 3.019 0.019 11 0 "[ . 1 ]" 1
1458 1 57 ILE HA 1 88 VAL QG 3.500 . 4.200 1.983 1.830 2.235 . 0 0 "[ . 1 ]" 1
1459 1 58 VAL H 1 88 VAL H 4.500 . 4.800 4.567 4.500 4.677 . 0 0 "[ . 1 ]" 1
1460 1 86 LEU QD 1 88 VAL QG 4.500 . 6.500 3.347 3.193 3.595 . 0 0 "[ . 1 ]" 1
1461 1 86 LEU QB 1 88 VAL H 4.500 . 5.200 4.468 4.406 4.517 . 0 0 "[ . 1 ]" 1
1462 1 87 LEU HA 1 88 VAL QG 4.500 . 4.800 3.416 3.376 3.507 . 0 0 "[ . 1 ]" 1
1463 1 87 LEU HA 1 88 VAL H 2.300 . 2.600 2.177 2.167 2.200 . 0 0 "[ . 1 ]" 1
1464 1 87 LEU QB 1 88 VAL H 3.500 . 4.500 3.919 3.903 3.935 . 0 0 "[ . 1 ]" 1
1465 1 87 LEU MD1 1 88 VAL H 4.500 . 4.800 3.552 3.320 3.703 . 0 0 "[ . 1 ]" 1
1466 1 87 LEU HG 1 88 VAL H 3.000 . 3.500 3.353 3.328 3.413 . 0 0 "[ . 1 ]" 1
1467 1 88 VAL HA 1 88 VAL MG1 3.000 . 3.300 2.341 2.239 2.407 . 0 0 "[ . 1 ]" 1
1468 1 88 VAL HA 1 88 VAL MG2 3.500 . 4.000 3.193 3.187 3.200 . 0 0 "[ . 1 ]" 1
1469 1 88 VAL HA 1 88 VAL HB 2.300 . 2.600 2.460 2.436 2.497 . 0 0 "[ . 1 ]" 1
1470 1 88 VAL HB 1 88 VAL MG1 2.300 . 2.600 2.100 2.084 2.128 . 0 0 "[ . 1 ]" 1
1471 1 88 VAL HB 1 88 VAL MG2 2.300 . 2.600 2.103 2.085 2.125 . 0 0 "[ . 1 ]" 1
1472 1 88 VAL H 1 88 VAL HA 2.300 . 3.000 2.945 2.940 2.948 . 0 0 "[ . 1 ]" 1
1473 1 88 VAL H 1 88 VAL MG1 3.000 . 3.500 2.831 2.653 2.996 . 0 0 "[ . 1 ]" 1
1474 1 88 VAL H 1 88 VAL MG2 3.000 . 3.300 2.002 1.902 2.221 . 0 0 "[ . 1 ]" 1
1475 1 88 VAL H 1 89 VAL MG2 4.500 . 6.000 4.678 4.258 4.880 . 0 0 "[ . 1 ]" 1
1476 1 88 VAL H 1 89 VAL H 3.500 . 4.500 4.466 4.421 4.495 . 0 0 "[ . 1 ]" 1
1477 1 10 PRO HA 1 89 VAL QG 2.300 . 2.800 2.139 1.799 2.809 0.009 1 0 "[ . 1 ]" 1
1478 1 11 ARG HB2 1 89 VAL H 4.500 . 6.000 5.485 4.744 6.028 0.028 10 0 "[ . 1 ]" 1
1479 1 55 ASP HB3 1 89 VAL H 4.500 . 4.800 4.380 4.052 4.659 . 0 0 "[ . 1 ]" 1
1480 1 55 ASP HB2 1 89 VAL H 2.300 . 3.000 2.703 2.338 3.044 0.044 11 0 "[ . 1 ]" 1
1481 1 55 ASP HA 1 89 VAL H 3.500 . 4.000 3.934 3.786 4.013 0.013 12 0 "[ . 1 ]" 1
1482 1 56 ARG HA 1 89 VAL H 3.500 . 4.500 4.143 3.924 4.522 0.022 11 0 "[ . 1 ]" 1
1483 1 56 ARG QB 1 89 VAL H 3.500 . 3.800 2.966 2.351 3.260 . 0 0 "[ . 1 ]" 1
1484 1 56 ARG H 1 89 VAL H 2.300 . 2.600 2.228 1.987 2.547 . 0 0 "[ . 1 ]" 1
1485 1 57 ILE HA 1 89 VAL H 3.500 . 4.500 4.261 4.079 4.518 0.018 6 0 "[ . 1 ]" 1
1486 1 58 VAL QG 1 89 VAL H 4.500 . 5.500 3.367 2.889 3.507 . 0 0 "[ . 1 ]" 1
1487 1 88 VAL HA 1 89 VAL QG 4.500 . 5.200 3.162 3.018 3.299 . 0 0 "[ . 1 ]" 1
1488 1 88 VAL HA 1 89 VAL H 2.300 . 2.600 2.475 2.230 2.576 . 0 0 "[ . 1 ]" 1
1489 1 88 VAL HB 1 89 VAL H 2.300 . 2.600 2.146 1.985 2.597 . 0 0 "[ . 1 ]" 1
1490 1 88 VAL MG1 1 89 VAL H 3.500 . 4.500 3.552 3.436 3.701 . 0 0 "[ . 1 ]" 1
1491 1 88 VAL MG2 1 89 VAL H 3.500 . 4.200 3.240 3.022 3.620 . 0 0 "[ . 1 ]" 1
1492 1 89 VAL HA 1 89 VAL HB 3.000 . 3.300 3.012 3.000 3.025 . 0 0 "[ . 1 ]" 1
1493 1 89 VAL HB 1 89 VAL MG1 2.300 . 2.600 2.110 2.095 2.129 . 0 0 "[ . 1 ]" 1
1494 1 89 VAL HA 1 89 VAL MG1 2.300 . 3.000 2.209 2.100 2.389 . 0 0 "[ . 1 ]" 1
1495 1 89 VAL H 1 89 VAL MG1 4.500 . 4.800 3.917 3.876 3.991 . 0 0 "[ . 1 ]" 1
1496 1 89 VAL H 1 89 VAL MG2 3.000 . 3.500 2.589 2.384 2.760 . 0 0 "[ . 1 ]" 1
1497 1 89 VAL H 1 89 VAL HA 2.300 . 3.000 2.947 2.930 2.952 . 0 0 "[ . 1 ]" 1
1498 1 89 VAL H 1 89 VAL HB 3.500 . 3.800 2.823 2.703 3.018 . 0 0 "[ . 1 ]" 1
1499 1 89 VAL MG1 1 90 ASP HA 4.500 . 5.500 4.129 3.866 4.432 . 0 0 "[ . 1 ]" 1
1500 1 89 VAL H 1 90 ASP H 3.500 . 4.500 4.438 4.292 4.490 . 0 0 "[ . 1 ]" 1
1501 1 8 LEU HA 1 90 ASP H 4.500 . 5.000 4.820 4.156 5.162 0.162 11 0 "[ . 1 ]" 1
1502 1 8 LEU MD1 1 90 ASP H 4.500 . 5.500 3.983 2.558 4.982 . 0 0 "[ . 1 ]" 1
1503 1 10 PRO QB 1 90 ASP H 4.500 . 6.000 5.623 5.068 6.036 0.036 4 0 "[ . 1 ]" 1
1504 1 11 ARG HB2 1 90 ASP H 4.500 . 5.000 4.916 4.229 5.035 0.035 5 0 "[ . 1 ]" 1
1505 1 55 ASP HA 1 90 ASP H 4.500 . 5.200 4.967 3.857 5.232 0.032 8 0 "[ . 1 ]" 1
1506 1 56 ARG H 1 90 ASP H 4.500 . 5.000 4.710 4.533 4.899 . 0 0 "[ . 1 ]" 1
1507 1 89 VAL HA 1 90 ASP QB 4.500 . 4.800 4.085 3.986 4.147 . 0 0 "[ . 1 ]" 1
1508 1 89 VAL HA 1 90 ASP H 2.300 . 2.600 2.312 2.193 2.454 . 0 0 "[ . 1 ]" 1
1509 1 89 VAL HB 1 90 ASP H 3.500 . 4.000 3.638 3.235 3.975 . 0 0 "[ . 1 ]" 1
1510 1 89 VAL QG 1 90 ASP H 3.500 . 3.800 2.116 1.845 2.475 . 0 0 "[ . 1 ]" 1
1511 1 90 ASP HA 1 90 ASP QB 2.300 . 2.800 2.388 2.356 2.440 . 0 0 "[ . 1 ]" 1
1512 1 90 ASP H 1 91 ARG H 3.500 . 4.500 4.392 4.297 4.626 0.126 11 0 "[ . 1 ]" 1
1513 1 90 ASP H 1 92 GLU H 4.500 . 6.000 5.795 4.940 6.015 0.015 6 0 "[ . 1 ]" 1
1514 1 90 ASP H 1 94 ASP QB 4.500 . 6.500 5.597 4.836 6.454 . 0 0 "[ . 1 ]" 1
1515 1 54 GLN QB 1 91 ARG HA 4.500 . 6.000 5.166 3.815 5.854 . 0 0 "[ . 1 ]" 1
1516 1 89 VAL MG1 1 91 ARG H 4.500 . 6.000 4.722 4.272 5.475 . 0 0 "[ . 1 ]" 1
1517 1 90 ASP HA 1 91 ARG H 2.300 . 2.600 2.146 2.127 2.243 . 0 0 "[ . 1 ]" 1
1518 1 90 ASP HB3 1 91 ARG H 3.500 . 4.500 4.260 3.780 4.367 . 0 0 "[ . 1 ]" 1
1519 1 90 ASP HB2 1 91 ARG H 3.500 . 4.500 4.403 4.212 4.494 . 0 0 "[ . 1 ]" 1
1520 1 91 ARG HA 1 91 ARG QB 2.300 . 2.800 2.393 2.349 2.441 . 0 0 "[ . 1 ]" 1
1521 1 91 ARG HA 1 91 ARG QG 2.300 . 2.800 2.434 2.362 2.521 . 0 0 "[ . 1 ]" 1
1522 1 91 ARG H 1 91 ARG QG 4.500 . 4.800 4.026 3.982 4.054 . 0 0 "[ . 1 ]" 1
1523 1 91 ARG H 1 91 ARG HA 2.300 . 3.000 2.918 2.797 2.937 . 0 0 "[ . 1 ]" 1
1524 1 91 ARG H 1 91 ARG QB 2.300 . 2.800 2.360 2.295 2.406 . 0 0 "[ . 1 ]" 1
1525 1 91 ARG H 1 93 THR H 4.500 . 4.800 4.333 3.942 4.616 . 0 0 "[ . 1 ]" 1
1526 1 91 ARG HA 1 94 ASP HB3 2.300 . 2.800 2.515 1.979 2.908 0.108 6 0 "[ . 1 ]" 1
1527 1 91 ARG HA 1 94 ASP HB2 2.300 . 2.800 2.342 1.918 2.783 . 0 0 "[ . 1 ]" 1
1528 1 91 ARG QB 1 94 ASP QB 4.500 . 5.000 3.772 3.241 4.193 . 0 0 "[ . 1 ]" 1
1529 1 54 GLN QB 1 92 GLU HA 3.500 . 4.500 4.119 3.482 4.825 0.325 11 0 "[ . 1 ]" 1
1530 1 90 ASP HA 1 92 GLU H 3.500 . 3.800 3.489 3.280 3.732 . 0 0 "[ . 1 ]" 1
1531 1 90 ASP HB3 1 92 GLU H 4.500 . 5.000 4.685 2.838 5.013 0.013 12 0 "[ . 1 ]" 1
1532 1 90 ASP HB2 1 92 GLU H 4.500 . 5.200 5.041 4.187 5.235 0.035 6 0 "[ . 1 ]" 1
1533 1 91 ARG HA 1 92 GLU H 3.000 . 3.500 3.446 3.407 3.474 . 0 0 "[ . 1 ]" 1
1534 1 91 ARG QB 1 92 GLU H 3.500 . 3.800 2.949 2.860 3.069 . 0 0 "[ . 1 ]" 1
1535 1 91 ARG H 1 92 GLU H 2.300 . 2.600 2.164 2.066 2.575 . 0 0 "[ . 1 ]" 1
1536 1 92 GLU HA 1 92 GLU HB2 3.000 . 3.300 3.018 2.998 3.027 . 0 0 "[ . 1 ]" 1
1537 1 92 GLU HA 1 92 GLU QG 2.300 . 3.000 2.425 2.177 2.623 . 0 0 "[ . 1 ]" 1
1538 1 92 GLU HA 1 92 GLU HB3 2.300 . 2.600 2.497 2.378 2.603 0.003 6 0 "[ . 1 ]" 1
1539 1 92 GLU HB3 1 92 GLU HG2 2.300 . 2.600 2.431 2.337 2.582 . 0 0 "[ . 1 ]" 1
1540 1 92 GLU H 1 92 GLU HB3 3.500 . 3.800 3.582 3.537 3.638 . 0 0 "[ . 1 ]" 1
1541 1 92 GLU HB2 1 92 GLU HG2 2.300 . 3.000 3.003 2.991 3.011 0.011 11 0 "[ . 1 ]" 1
1542 1 92 GLU H 1 92 GLU HB2 2.300 . 2.800 2.504 2.285 2.727 . 0 0 "[ . 1 ]" 1
1543 1 92 GLU H 1 92 GLU QG 2.300 . 2.800 2.204 1.785 2.799 0.015 11 0 "[ . 1 ]" 1
1544 1 92 GLU H 1 92 GLU HA 2.300 . 3.000 2.786 2.723 2.896 . 0 0 "[ . 1 ]" 1
1545 1 92 GLU HA 1 93 THR H 3.500 . 3.800 3.549 3.434 3.572 . 0 0 "[ . 1 ]" 1
1546 1 92 GLU H 1 93 THR HA 4.500 . 5.500 5.378 5.109 5.521 0.021 4 0 "[ . 1 ]" 1
1547 1 92 GLU H 1 93 THR H 2.300 . 3.000 2.820 2.464 3.019 0.019 4 0 "[ . 1 ]" 1
1548 1 92 GLU H 1 94 ASP HB3 4.500 . 5.000 4.899 4.728 5.010 0.010 3 0 "[ . 1 ]" 1
1549 1 92 GLU H 1 94 ASP HB2 4.500 . 5.000 4.896 3.845 5.040 0.040 6 0 "[ . 1 ]" 1
1550 1 92 GLU HA 1 95 GLU H 4.500 . 4.800 3.914 3.344 4.789 . 0 0 "[ . 1 ]" 1
1551 1 92 GLU H 1 95 GLU H 4.500 . 5.200 5.051 4.795 5.422 0.222 11 0 "[ . 1 ]" 1
1552 1 91 ARG QB 1 93 THR H 4.500 . 6.500 5.150 4.513 5.335 . 0 0 "[ . 1 ]" 1
1553 1 91 ARG HA 1 93 THR H 4.500 . 5.000 4.489 3.592 5.056 0.056 10 0 "[ . 1 ]" 1
1554 1 92 GLU QB 1 93 THR HB 4.500 . 5.500 4.492 4.308 4.928 . 0 0 "[ . 1 ]" 1
1555 1 92 GLU QB 1 93 THR H 2.300 . 2.800 2.331 2.129 2.804 0.004 11 0 "[ . 1 ]" 1
1556 1 93 THR HA 1 93 THR HB 3.000 . 3.300 3.021 3.010 3.028 . 0 0 "[ . 1 ]" 1
1557 1 93 THR HA 1 93 THR MG 3.000 . 3.300 2.406 2.227 2.586 . 0 0 "[ . 1 ]" 1
1558 1 93 THR HB 1 93 THR MG 2.300 . 2.600 2.090 2.073 2.117 . 0 0 "[ . 1 ]" 1
1559 1 93 THR H 1 93 THR HA 2.300 . 3.000 2.842 2.792 2.910 . 0 0 "[ . 1 ]" 1
1560 1 93 THR H 1 93 THR HB 2.300 . 2.800 2.543 2.317 2.684 . 0 0 "[ . 1 ]" 1
1561 1 93 THR H 1 93 THR MG 3.500 . 4.500 3.751 3.718 3.790 . 0 0 "[ . 1 ]" 1
1562 1 93 THR HA 1 94 ASP HA 4.500 . 5.000 4.856 4.787 4.989 . 0 0 "[ . 1 ]" 1
1563 1 93 THR HB 1 94 ASP HA 3.500 . 4.500 4.236 4.040 4.512 0.012 6 0 "[ . 1 ]" 1
1564 1 93 THR H 1 94 ASP QB 4.500 . 5.000 4.222 3.983 4.421 . 0 0 "[ . 1 ]" 1
1565 1 93 THR H 1 95 GLU QG 4.500 . 6.500 4.725 4.015 5.508 . 0 0 "[ . 1 ]" 1
1566 1 93 THR H 1 95 GLU H 4.500 . 4.800 4.258 3.913 4.674 . 0 0 "[ . 1 ]" 1
1567 1 93 THR H 1 96 PHE QB 4.500 . 5.000 4.417 3.995 5.150 0.150 11 0 "[ . 1 ]" 1
1568 1 93 THR H 1 96 PHE H 4.500 . 5.200 4.728 4.387 5.210 0.010 5 0 "[ . 1 ]" 1
1569 1 93 THR MG 1 97 PHE QD 3.500 . 4.500 3.562 1.949 4.528 0.028 11 0 "[ . 1 ]" 1
1570 1 90 ASP HA 1 94 ASP H 4.500 . 5.500 5.430 4.689 5.642 0.142 1 0 "[ . 1 ]" 1
1571 1 90 ASP QB 1 94 ASP H 4.500 . 5.500 4.461 3.486 4.910 . 0 0 "[ . 1 ]" 1
1572 1 91 ARG HA 1 94 ASP H 3.500 . 3.800 3.162 2.529 3.641 . 0 0 "[ . 1 ]" 1
1573 1 91 ARG H 1 94 ASP H 4.500 . 5.000 4.624 4.242 4.739 . 0 0 "[ . 1 ]" 1
1574 1 92 GLU H 1 94 ASP H 3.500 . 4.000 3.738 3.162 3.905 . 0 0 "[ . 1 ]" 1
1575 1 93 THR HA 1 94 ASP QB 4.500 . 6.000 5.125 4.979 5.162 . 0 0 "[ . 1 ]" 1
1576 1 93 THR HA 1 94 ASP H 3.500 . 3.800 3.465 3.400 3.506 . 0 0 "[ . 1 ]" 1
1577 1 93 THR HB 1 94 ASP H 2.300 . 3.000 2.932 2.779 3.066 0.066 10 0 "[ . 1 ]" 1
1578 1 93 THR MG 1 94 ASP H 4.500 . 5.000 3.826 3.607 4.071 . 0 0 "[ . 1 ]" 1
1579 1 93 THR H 1 94 ASP H 2.300 . 2.800 2.478 2.203 2.677 . 0 0 "[ . 1 ]" 1
1580 1 94 ASP HA 1 94 ASP HB3 3.000 . 3.500 3.018 3.008 3.030 . 0 0 "[ . 1 ]" 1
1581 1 94 ASP HA 1 94 ASP HB2 2.300 . 2.800 2.533 2.452 2.575 . 0 0 "[ . 1 ]" 1
1582 1 94 ASP H 1 94 ASP HA 2.300 . 3.000 2.785 2.691 2.830 . 0 0 "[ . 1 ]" 1
1583 1 94 ASP H 1 94 ASP QB 2.300 . 2.800 2.219 2.160 2.276 . 0 0 "[ . 1 ]" 1
1584 1 94 ASP H 1 95 GLU QG 4.500 . 5.500 4.045 3.856 4.303 . 0 0 "[ . 1 ]" 1
1585 1 94 ASP H 1 95 GLU H 2.300 . 3.000 2.721 2.584 3.010 0.010 5 0 "[ . 1 ]" 1
1586 1 94 ASP H 1 96 PHE H 4.500 . 5.000 4.070 3.877 4.382 . 0 0 "[ . 1 ]" 1
1587 1 93 THR MG 1 95 GLU H 4.500 . 6.500 4.863 4.470 5.329 . 0 0 "[ . 1 ]" 1
1588 1 94 ASP HA 1 95 GLU H 3.000 . 3.700 3.502 3.448 3.592 . 0 0 "[ . 1 ]" 1
1589 1 94 ASP QB 1 95 GLU H 3.000 . 3.500 2.735 2.283 2.984 . 0 0 "[ . 1 ]" 1
1590 1 95 GLU HA 1 95 GLU QB 2.300 . 2.600 2.178 2.157 2.190 . 0 0 "[ . 1 ]" 1
1591 1 95 GLU H 1 95 GLU HA 3.000 . 3.300 2.928 2.829 2.947 . 0 0 "[ . 1 ]" 1
1592 1 95 GLU H 1 95 GLU QB 3.000 . 3.300 2.812 2.428 3.024 . 0 0 "[ . 1 ]" 1
1593 1 95 GLU H 1 95 GLU HG3 3.000 . 3.500 3.006 2.637 3.512 0.012 11 0 "[ . 1 ]" 1
1594 1 95 GLU H 1 95 GLU HG2 2.300 . 2.800 2.115 1.952 2.353 . 0 0 "[ . 1 ]" 1
1595 1 95 GLU QG 1 96 PHE QB 4.500 . 4.800 3.121 2.754 3.504 . 0 0 "[ . 1 ]" 1
1596 1 95 GLU H 1 96 PHE QB 3.500 . 4.500 3.916 3.758 4.215 . 0 0 "[ . 1 ]" 1
1597 1 95 GLU H 1 96 PHE H 2.300 . 2.800 2.166 1.997 2.559 . 0 0 "[ . 1 ]" 1
1598 1 94 ASP QB 1 96 PHE H 4.500 . 5.500 4.626 4.307 4.824 . 0 0 "[ . 1 ]" 1
1599 1 95 GLU HA 1 96 PHE H 3.500 . 3.800 3.508 3.436 3.563 . 0 0 "[ . 1 ]" 1
1600 1 95 GLU QB 1 96 PHE H 3.500 . 3.800 3.439 3.222 3.682 . 0 0 "[ . 1 ]" 1
1601 1 95 GLU HG3 1 96 PHE H 3.500 . 4.500 2.308 1.977 3.167 . 0 0 "[ . 1 ]" 1
1602 1 95 GLU HG2 1 96 PHE H 3.500 . 4.500 2.719 2.066 3.123 . 0 0 "[ . 1 ]" 1
1603 1 96 PHE HA 1 96 PHE QD 3.500 . 4.500 2.564 2.006 3.136 . 0 0 "[ . 1 ]" 1
1604 1 96 PHE HA 1 96 PHE HB3 3.000 . 3.300 3.015 3.008 3.021 . 0 0 "[ . 1 ]" 1
1605 1 96 PHE HA 1 96 PHE HB2 2.300 . 2.800 2.532 2.361 2.584 . 0 0 "[ . 1 ]" 1
1606 1 96 PHE H 1 96 PHE HA 2.300 . 2.800 2.797 2.693 2.878 0.078 10 0 "[ . 1 ]" 1
1607 1 96 PHE H 1 96 PHE HB3 3.000 . 3.500 2.689 2.219 2.919 . 0 0 "[ . 1 ]" 1
1608 1 96 PHE H 1 96 PHE HB2 3.000 . 3.500 2.402 2.275 2.807 . 0 0 "[ . 1 ]" 1
1609 1 95 GLU H 1 97 PHE QB 4.500 . 6.000 5.235 4.712 6.055 0.055 10 0 "[ . 1 ]" 1
1610 1 95 GLU QB 1 97 PHE H 4.500 . 6.500 5.542 5.329 6.042 . 0 0 "[ . 1 ]" 1
1611 1 95 GLU HA 1 97 PHE H 4.500 . 5.500 4.935 4.433 5.533 0.033 10 0 "[ . 1 ]" 1
1612 1 96 PHE HA 1 97 PHE H 3.500 . 3.800 3.558 3.509 3.576 . 0 0 "[ . 1 ]" 1
1613 1 96 PHE HB3 1 97 PHE H 3.000 . 3.500 2.127 1.956 2.353 . 0 0 "[ . 1 ]" 1
1614 1 96 PHE HB2 1 97 PHE H 3.000 . 3.500 3.516 3.415 3.699 0.199 11 0 "[ . 1 ]" 1
1615 1 96 PHE QE 1 97 PHE H 4.500 . 6.000 5.462 4.583 5.845 . 0 0 "[ . 1 ]" 1
1616 1 97 PHE HA 1 97 PHE HB3 3.000 . 3.300 3.016 3.006 3.026 . 0 0 "[ . 1 ]" 1
1617 1 97 PHE HA 1 97 PHE HB2 3.000 . 3.300 2.535 2.448 2.582 . 0 0 "[ . 1 ]" 1
1618 1 97 PHE HA 1 97 PHE QD 3.500 . 4.500 2.361 1.917 3.144 . 0 0 "[ . 1 ]" 1
1619 1 97 PHE H 1 97 PHE HB3 3.500 . 4.500 2.677 2.498 2.778 . 0 0 "[ . 1 ]" 1
1620 1 97 PHE H 1 97 PHE HB2 3.000 . 3.500 2.400 2.292 2.529 . 0 0 "[ . 1 ]" 1
1621 1 97 PHE H 1 97 PHE HA 2.300 . 3.000 2.811 2.793 2.915 . 0 0 "[ . 1 ]" 1
1622 1 97 PHE H 1 97 PHE QD 3.500 . 4.500 4.149 4.040 4.215 . 0 0 "[ . 1 ]" 1
1623 1 97 PHE H 1 98 LYS QB 4.500 . 5.000 4.341 3.888 4.427 . 0 0 "[ . 1 ]" 1
1624 1 97 PHE H 1 98 LYS H 2.300 . 2.800 2.628 2.280 2.716 . 0 0 "[ . 1 ]" 1
1625 1 93 THR MG 1 98 LYS H 4.500 . 5.500 4.719 2.563 5.550 0.050 1 0 "[ . 1 ]" 1
1626 1 96 PHE HA 1 98 LYS H 3.500 . 4.500 4.185 3.848 4.535 0.035 10 0 "[ . 1 ]" 1
1627 1 97 PHE HA 1 98 LYS H 3.000 . 3.500 3.465 3.397 3.505 0.005 9 0 "[ . 1 ]" 1
1628 1 97 PHE HB3 1 98 LYS H 3.500 . 4.000 2.978 2.776 3.257 . 0 0 "[ . 1 ]" 1
1629 1 97 PHE HB2 1 98 LYS H 3.500 . 4.200 3.971 3.807 4.203 0.003 11 0 "[ . 1 ]" 1
1630 1 97 PHE QD 1 98 LYS H 4.500 . 5.000 4.197 3.808 4.431 . 0 0 "[ . 1 ]" 1
1631 1 98 LYS HA 1 98 LYS QG 3.000 . 3.500 2.317 2.088 2.511 . 0 0 "[ . 1 ]" 1
1632 1 98 LYS QE 1 98 LYS QG 3.000 . 3.500 2.261 1.929 2.856 . 0 0 "[ . 1 ]" 1
1633 1 98 LYS H 1 98 LYS HA 2.300 . 3.000 2.839 2.796 2.920 . 0 0 "[ . 1 ]" 1
1634 1 98 LYS H 1 98 LYS HB3 2.300 . 3.000 2.865 2.498 3.063 0.063 10 0 "[ . 1 ]" 1
1635 1 98 LYS H 1 98 LYS QG 3.500 . 4.500 3.897 3.771 4.043 . 0 0 "[ . 1 ]" 1
1636 1 98 LYS H 1 98 LYS HB2 2.300 . 2.600 2.282 2.125 2.558 . 0 0 "[ . 1 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 65
_Distance_constraint_stats_list.Viol_total 16.812
_Distance_constraint_stats_list.Viol_max 0.083
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0018
_Distance_constraint_stats_list.Viol_average_violations_only 0.0216
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 11 ARG 0.028 0.028 11 0 "[ . 1 ]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 15 MET 0.000 0.000 . 0 "[ . 1 ]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 22 TYR 0.162 0.053 11 0 "[ . 1 ]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 25 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 27 HIS 0.216 0.055 12 0 "[ . 1 ]"
1 36 PHE 0.216 0.055 12 0 "[ . 1 ]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 ]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 44 SER 0.000 0.000 . 0 "[ . 1 ]"
1 45 PRO 0.017 0.012 8 0 "[ . 1 ]"
1 46 ALA 0.284 0.053 11 0 "[ . 1 ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 49 SER 0.017 0.012 8 0 "[ . 1 ]"
1 50 GLY 0.123 0.023 12 0 "[ . 1 ]"
1 54 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 58 VAL 0.073 0.033 4 0 "[ . 1 ]"
1 59 GLU 0.259 0.034 10 0 "[ . 1 ]"
1 60 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 ]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 65 MET 0.493 0.083 10 0 "[ . 1 ]"
1 68 LYS 0.421 0.083 10 0 "[ . 1 ]"
1 69 GLN 0.000 0.000 . 0 "[ . 1 ]"
1 70 HIS 0.000 0.000 . 0 "[ . 1 ]"
1 71 GLY 0.000 0.000 . 0 "[ . 1 ]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 73 VAL 0.006 0.006 10 0 "[ . 1 ]"
1 74 VAL 0.095 0.016 12 0 "[ . 1 ]"
1 75 SER 0.000 0.000 . 0 "[ . 1 ]"
1 76 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 77 ILE 0.008 0.006 10 0 "[ . 1 ]"
1 78 ARG 0.095 0.016 12 0 "[ . 1 ]"
1 79 ALA 0.000 0.000 . 0 "[ . 1 ]"
1 80 GLY 0.002 0.002 2 0 "[ . 1 ]"
1 82 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 84 THR 0.000 0.000 . 0 "[ . 1 ]"
1 85 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 87 LEU 0.259 0.034 10 0 "[ . 1 ]"
1 88 VAL 0.028 0.028 11 0 "[ . 1 ]"
1 89 VAL 0.000 0.000 . 0 "[ . 1 ]"
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 11 ARG O 1 88 VAL H 2.000 . 2.500 2.296 2.194 2.528 0.028 11 0 "[ . 1 ]" 2
2 1 11 ARG O 1 88 VAL N 3.000 2.300 3.500 2.979 2.868 3.127 . 0 0 "[ . 1 ]" 2
3 1 11 ARG H 1 88 VAL O 2.000 . 2.500 1.772 1.613 2.134 . 0 0 "[ . 1 ]" 2
4 1 11 ARG N 1 88 VAL O 3.000 2.300 3.500 2.684 2.526 3.049 . 0 0 "[ . 1 ]" 2
5 1 13 CYS O 1 86 LEU H 2.000 . 2.500 1.961 1.790 2.113 . 0 0 "[ . 1 ]" 2
6 1 13 CYS O 1 86 LEU N 3.000 2.300 3.500 2.663 2.573 2.771 . 0 0 "[ . 1 ]" 2
7 1 13 CYS H 1 86 LEU O 2.000 . 2.500 1.784 1.675 1.891 . 0 0 "[ . 1 ]" 2
8 1 13 CYS N 1 86 LEU O 3.000 2.300 3.500 2.569 2.479 2.636 . 0 0 "[ . 1 ]" 2
9 1 15 MET O 1 84 THR H 2.000 . 2.500 1.987 1.823 2.166 . 0 0 "[ . 1 ]" 2
10 1 15 MET O 1 84 THR N 3.000 2.300 3.500 2.926 2.716 3.110 . 0 0 "[ . 1 ]" 2
11 1 15 MET H 1 84 THR O 2.000 . 2.500 2.270 1.916 2.500 . 0 0 "[ . 1 ]" 2
12 1 15 MET N 1 84 THR O 3.000 2.300 3.500 3.208 2.844 3.473 . 0 0 "[ . 1 ]" 2
13 1 17 LYS H 1 82 ASP O 2.000 . 2.500 1.747 1.616 1.970 . 0 0 "[ . 1 ]" 2
14 1 17 LYS N 1 82 ASP O 3.000 2.300 3.500 2.649 2.549 2.773 . 0 0 "[ . 1 ]" 2
15 1 25 ASN O 1 38 ARG H 2.000 . 2.500 2.066 1.836 2.294 . 0 0 "[ . 1 ]" 2
16 1 25 ASN O 1 38 ARG N 3.000 2.300 3.500 2.977 2.738 3.172 . 0 0 "[ . 1 ]" 2
17 1 27 HIS O 1 36 PHE H 2.000 . 2.500 2.480 2.151 2.555 0.055 12 0 "[ . 1 ]" 2
18 1 27 HIS O 1 36 PHE N 3.000 2.300 3.500 3.342 2.939 3.496 . 0 0 "[ . 1 ]" 2
19 1 27 HIS H 1 36 PHE O 2.000 . 2.500 1.887 1.640 2.134 . 0 0 "[ . 1 ]" 2
20 1 27 HIS N 1 36 PHE O 3.000 2.300 3.500 2.833 2.591 3.086 . 0 0 "[ . 1 ]" 2
21 1 44 SER O 1 48 ALA H 2.000 . 2.500 1.792 1.671 1.950 . 0 0 "[ . 1 ]" 2
22 1 44 SER O 1 48 ALA N 3.000 2.300 3.500 2.757 2.637 2.907 . 0 0 "[ . 1 ]" 2
23 1 58 VAL H 1 87 LEU O 2.000 . 2.500 1.747 1.649 2.055 . 0 0 "[ . 1 ]" 2
24 1 58 VAL N 1 87 LEU O 3.000 2.300 3.500 2.595 2.519 2.893 . 0 0 "[ . 1 ]" 2
25 1 59 GLU O 1 87 LEU H 2.000 . 2.500 2.521 2.495 2.534 0.034 10 0 "[ . 1 ]" 2
26 1 59 GLU O 1 87 LEU N 3.000 2.300 3.500 3.465 3.446 3.489 . 0 0 "[ . 1 ]" 2
27 1 56 ARG O 1 89 VAL H 2.000 . 2.500 2.168 1.965 2.406 . 0 0 "[ . 1 ]" 2
28 1 56 ARG O 1 89 VAL N 3.000 2.300 3.500 2.872 2.602 3.181 . 0 0 "[ . 1 ]" 2
29 1 56 ARG H 1 89 VAL O 2.000 . 2.500 1.987 1.500 2.313 . 0 0 "[ . 1 ]" 2
30 1 56 ARG N 1 89 VAL O 3.000 2.300 3.500 2.862 2.405 3.150 . 0 0 "[ . 1 ]" 2
31 1 45 PRO O 1 49 SER H 2.000 . 2.500 2.374 2.110 2.512 0.012 8 0 "[ . 1 ]" 2
32 1 45 PRO O 1 49 SER N 3.000 2.300 3.500 3.155 2.849 3.318 . 0 0 "[ . 1 ]" 2
33 1 46 ALA O 1 50 GLY H 2.000 . 2.500 2.509 2.489 2.523 0.023 12 0 "[ . 1 ]" 2
34 1 46 ALA O 1 50 GLY N 3.000 2.300 3.500 3.249 3.119 3.317 . 0 0 "[ . 1 ]" 2
35 1 69 GLN O 1 73 VAL H 2.000 . 2.500 1.759 1.659 1.873 . 0 0 "[ . 1 ]" 2
36 1 69 GLN O 1 73 VAL N 3.000 2.300 3.500 2.699 2.594 2.827 . 0 0 "[ . 1 ]" 2
37 1 70 HIS O 1 74 VAL H 2.000 . 2.500 1.806 1.688 2.015 . 0 0 "[ . 1 ]" 2
38 1 70 HIS O 1 74 VAL N 3.000 2.300 3.500 2.746 2.639 2.931 . 0 0 "[ . 1 ]" 2
39 1 71 GLY O 1 75 SER H 2.000 . 2.500 1.849 1.681 2.047 . 0 0 "[ . 1 ]" 2
40 1 71 GLY O 1 75 SER N 3.000 2.300 3.500 2.742 2.610 2.877 . 0 0 "[ . 1 ]" 2
41 1 72 ASP O 1 76 ALA H 2.000 . 2.500 2.013 1.867 2.128 . 0 0 "[ . 1 ]" 2
42 1 72 ASP O 1 76 ALA N 3.000 2.300 3.500 2.881 2.759 2.983 . 0 0 "[ . 1 ]" 2
43 1 73 VAL O 1 77 ILE H 2.000 . 2.500 2.286 1.860 2.506 0.006 10 0 "[ . 1 ]" 2
44 1 73 VAL O 1 77 ILE N 3.000 2.300 3.500 3.221 2.815 3.430 . 0 0 "[ . 1 ]" 2
45 1 74 VAL O 1 78 ARG H 2.000 . 2.500 2.480 2.267 2.516 0.016 12 0 "[ . 1 ]" 2
46 1 74 VAL O 1 78 ARG N 3.000 2.300 3.500 3.354 3.146 3.441 . 0 0 "[ . 1 ]" 2
47 1 75 SER O 1 79 ALA H 2.000 . 2.500 1.958 1.769 2.035 . 0 0 "[ . 1 ]" 2
48 1 75 SER O 1 79 ALA N 3.000 2.300 3.500 2.848 2.550 2.961 . 0 0 "[ . 1 ]" 2
49 1 77 ILE O 1 80 GLY H 2.000 . 2.500 2.338 2.026 2.502 0.002 2 0 "[ . 1 ]" 2
50 1 77 ILE O 1 80 GLY N 3.000 2.300 3.500 3.231 2.907 3.399 . 0 0 "[ . 1 ]" 2
51 1 41 ASP O 1 44 SER H 2.000 . 2.500 2.338 2.276 2.396 . 0 0 "[ . 1 ]" 2
52 1 41 ASP O 1 44 SER N 3.000 2.300 3.500 3.124 3.070 3.180 . 0 0 "[ . 1 ]" 2
53 1 60 VAL O 1 63 VAL H 2.000 . 2.500 2.444 2.360 2.497 . 0 0 "[ . 1 ]" 2
54 1 60 VAL O 1 63 VAL N 3.000 2.300 3.500 3.384 3.300 3.433 . 0 0 "[ . 1 ]" 2
55 1 65 MET O 1 68 LYS H 2.000 . 2.500 2.535 2.505 2.583 0.083 10 0 "[ . 1 ]" 2
56 1 65 MET O 1 68 LYS N 3.000 2.300 3.500 3.311 3.192 3.495 . 0 0 "[ . 1 ]" 2
57 1 22 TYR O 1 46 ALA H 2.000 . 2.500 2.411 2.117 2.553 0.053 11 0 "[ . 1 ]" 2
58 1 22 TYR O 1 46 ALA N 3.000 2.300 3.500 3.198 3.006 3.362 . 0 0 "[ . 1 ]" 2
59 1 23 GLY O 1 41 ASP H 2.000 . 2.500 1.730 1.583 1.826 . 0 0 "[ . 1 ]" 2
60 1 23 GLY O 1 41 ASP N 3.000 2.300 3.500 2.559 2.512 2.577 . 0 0 "[ . 1 ]" 2
61 1 37 ILE O 1 54 GLN H 2.000 . 2.500 1.920 1.662 2.304 . 0 0 "[ . 1 ]" 2
62 1 37 ILE O 1 54 GLN N 3.000 2.300 3.500 2.737 2.573 3.115 . 0 0 "[ . 1 ]" 2
63 1 58 VAL O 1 65 MET H 2.000 . 2.500 2.444 2.299 2.533 0.033 4 0 "[ . 1 ]" 2
64 1 58 VAL O 1 65 MET N 3.000 2.300 3.500 3.179 3.014 3.392 . 0 0 "[ . 1 ]" 2
65 1 61 ASN H 1 85 LYS O 2.000 . 2.500 1.708 1.640 1.768 . 0 0 "[ . 1 ]" 2
66 1 61 ASN N 1 85 LYS O 3.000 2.300 3.500 2.583 2.551 2.680 . 0 0 "[ . 1 ]" 2
stop_
save_
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