NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578552 |
2mp2   |
19961 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mp2
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 2066
_Distance_constraint_stats_list.Viol_count 3867
_Distance_constraint_stats_list.Viol_total 3197.689
_Distance_constraint_stats_list.Viol_max 0.700
_Distance_constraint_stats_list.Viol_rms 0.0474
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0155
_Distance_constraint_stats_list.Viol_average_violations_only 0.0827
_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 3 GLU 0.096 0.049 8 0 "[ . 1]"
1 4 ASN 0.161 0.070 7 0 "[ . 1]"
1 5 ASP 0.292 0.150 10 0 "[ . 1]"
1 6 HIS 7.019 0.252 9 0 "[ . 1]"
1 7 ILE 2.260 0.157 4 0 "[ . 1]"
1 8 ASN 3.166 0.224 5 0 "[ . 1]"
1 9 LEU 10.531 0.431 8 0 "[ . 1]"
1 10 LYS 6.640 0.265 4 0 "[ . 1]"
1 11 VAL 7.332 0.223 9 0 "[ . 1]"
1 12 ALA 1.091 0.111 3 0 "[ . 1]"
1 13 GLY 0.038 0.013 1 0 "[ . 1]"
1 14 GLN 2.313 0.296 5 0 "[ . 1]"
1 15 ASP 0.526 0.151 8 0 "[ . 1]"
1 16 GLY 0.177 0.177 8 0 "[ . 1]"
1 17 SER 1.026 0.192 4 0 "[ . 1]"
1 18 VAL 4.300 0.192 4 0 "[ . 1]"
1 19 VAL 4.775 0.255 5 0 "[ . 1]"
1 20 GLN 2.034 0.116 3 0 "[ . 1]"
1 21 PHE 3.448 0.127 10 0 "[ . 1]"
1 22 LYS 9.629 0.347 3 0 "[ . 1]"
1 23 ILE 2.408 0.218 8 0 "[ . 1]"
1 24 LYS 2.271 0.235 6 0 "[ . 1]"
1 25 ARG 2.861 0.144 7 0 "[ . 1]"
1 26 HIS 1.170 0.131 9 0 "[ . 1]"
1 27 THR 1.151 0.141 7 0 "[ . 1]"
1 28 PRO 1.597 0.145 10 0 "[ . 1]"
1 29 LEU 2.632 0.144 3 0 "[ . 1]"
1 30 SER 0.052 0.025 10 0 "[ . 1]"
1 31 LYS 1.010 0.118 5 0 "[ . 1]"
1 32 LEU 5.324 0.257 5 0 "[ . 1]"
1 33 MET 8.499 0.235 9 0 "[ . 1]"
1 34 LYS 0.362 0.068 4 0 "[ . 1]"
1 35 ALA 1.645 0.120 8 0 "[ . 1]"
1 36 TYR 6.481 0.592 5 1 "[ + 1]"
1 37 CYS 0.734 0.196 9 0 "[ . 1]"
1 38 GLU 3.648 0.340 4 0 "[ . 1]"
1 39 ARG 11.175 0.700 1 3 "[+ * - 1]"
1 40 GLN 1.189 0.379 5 0 "[ . 1]"
1 41 GLY 0.890 0.187 1 0 "[ . 1]"
1 42 LEU 2.662 0.236 1 0 "[ . 1]"
1 43 SER 1.129 0.106 1 0 "[ . 1]"
1 44 MET 3.910 0.398 7 0 "[ . 1]"
1 45 ARG 1.825 0.190 2 0 "[ . 1]"
1 46 GLN 1.915 0.262 4 0 "[ . 1]"
1 47 ILE 14.220 0.456 9 0 "[ . 1]"
1 48 ARG 2.754 0.156 9 0 "[ . 1]"
1 49 PHE 16.343 0.445 6 0 "[ . 1]"
1 50 ARG 10.758 0.333 6 0 "[ . 1]"
1 51 PHE 4.404 0.277 8 0 "[ . 1]"
1 52 ASP 1.478 0.204 3 0 "[ . 1]"
1 53 GLY 1.397 0.150 4 0 "[ . 1]"
1 54 GLN 5.184 0.333 6 0 "[ . 1]"
1 55 PRO 3.105 0.262 9 0 "[ . 1]"
1 56 ILE 5.900 0.262 9 0 "[ . 1]"
1 57 ASN 3.287 0.159 6 0 "[ . 1]"
1 58 GLU 0.411 0.035 2 0 "[ . 1]"
1 59 THR 0.278 0.038 9 0 "[ . 1]"
1 60 ASP 0.586 0.054 6 0 "[ . 1]"
1 61 THR 4.602 0.145 10 0 "[ . 1]"
1 62 PRO 3.455 0.225 2 0 "[ . 1]"
1 63 ALA 7.150 0.416 8 0 "[ . 1]"
1 64 GLN 5.505 0.416 8 0 "[ . 1]"
1 65 LEU 6.438 0.225 2 0 "[ . 1]"
1 66 GLU 2.263 0.151 7 0 "[ . 1]"
1 67 MET 2.205 0.128 7 0 "[ . 1]"
1 68 GLU 3.366 0.347 7 0 "[ . 1]"
1 69 ASP 1.459 0.140 5 0 "[ . 1]"
1 70 GLU 3.543 0.347 7 0 "[ . 1]"
1 71 ASP 2.322 0.137 4 0 "[ . 1]"
1 72 THR 6.149 0.265 4 0 "[ . 1]"
1 73 ILE 19.871 0.431 8 0 "[ . 1]"
1 74 ASP 3.586 0.265 10 0 "[ . 1]"
1 75 VAL 4.326 0.240 9 0 "[ . 1]"
1 76 PHE 7.195 0.500 8 0 "[ . 1]"
1 77 GLN 4.895 0.500 8 0 "[ . 1]"
1 78 GLN 0.552 0.118 3 0 "[ . 1]"
1 79 GLN 0.566 0.285 10 0 "[ . 1]"
1 80 THR 2.527 0.173 3 0 "[ . 1]"
1 81 GLY 0.045 0.023 8 0 "[ . 1]"
1 82 GLY 0.253 0.063 8 0 "[ . 1]"
2 4 GLU 1.260 0.233 8 0 "[ . 1]"
2 5 LYS 2.977 0.233 8 0 "[ . 1]"
2 6 PRO 1.853 0.209 2 0 "[ . 1]"
2 7 LYS 0.396 0.389 8 0 "[ . 1]"
2 8 GLU 0.815 0.286 9 0 "[ . 1]"
2 9 GLY 3.982 0.560 9 1 "[ . +1]"
2 10 VAL 4.818 0.560 9 1 "[ . +1]"
2 11 LYS 2.700 0.237 6 0 "[ . 1]"
2 12 THR 2.573 0.237 6 0 "[ . 1]"
2 13 GLU 1.194 0.191 2 0 "[ . 1]"
2 14 ASN 2.409 0.195 2 0 "[ . 1]"
2 16 HIS 5.463 0.398 10 0 "[ . 1]"
2 17 ILE 4.676 0.261 3 0 "[ . 1]"
2 18 ASN 3.225 0.274 8 0 "[ . 1]"
2 19 LEU 4.468 0.261 3 0 "[ . 1]"
2 20 LYS 5.996 0.378 1 0 "[ . 1]"
2 21 VAL 1.487 0.123 6 0 "[ . 1]"
2 22 ALA 0.729 0.092 6 0 "[ . 1]"
2 23 GLY 2.327 0.145 5 0 "[ . 1]"
2 24 GLN 1.771 0.121 3 0 "[ . 1]"
2 25 ASP 1.638 0.121 3 0 "[ . 1]"
2 26 GLY 0.352 0.119 3 0 "[ . 1]"
2 27 SER 1.271 0.111 2 0 "[ . 1]"
2 28 VAL 2.665 0.178 6 0 "[ . 1]"
2 29 VAL 3.993 0.177 8 0 "[ . 1]"
2 30 GLN 5.662 0.337 2 0 "[ . 1]"
2 31 PHE 2.675 0.258 3 0 "[ . 1]"
2 32 LYS 1.678 0.170 8 0 "[ . 1]"
2 33 ILE 3.063 0.258 3 0 "[ . 1]"
2 34 LYS 2.084 0.398 10 0 "[ . 1]"
2 35 ARG 2.990 0.207 7 0 "[ . 1]"
2 36 HIS 1.532 0.141 3 0 "[ . 1]"
2 37 THR 3.868 0.442 9 0 "[ . 1]"
2 38 PRO 4.109 0.442 9 0 "[ . 1]"
2 39 LEU 1.104 0.133 6 0 "[ . 1]"
2 40 SER 0.000 0.000 . 0 "[ . 1]"
2 41 LYS 4.606 0.316 10 0 "[ . 1]"
2 42 LEU 3.823 0.178 1 0 "[ . 1]"
2 43 MET 4.031 0.288 6 0 "[ . 1]"
2 44 LYS 5.989 0.269 3 0 "[ . 1]"
2 45 ALA 2.488 0.295 2 0 "[ . 1]"
2 46 TYR 2.618 0.185 9 0 "[ . 1]"
2 47 CYS 2.119 0.269 3 0 "[ . 1]"
2 48 GLU 3.231 0.213 5 0 "[ . 1]"
2 49 ARG 7.762 0.295 2 0 "[ . 1]"
2 50 GLN 5.298 0.161 3 0 "[ . 1]"
2 51 GLY 0.000 0.000 . 0 "[ . 1]"
2 52 LEU 4.416 0.194 2 0 "[ . 1]"
2 53 SER 1.009 0.284 4 0 "[ . 1]"
2 54 MET 0.285 0.073 8 0 "[ . 1]"
2 55 ARG 0.243 0.072 2 0 "[ . 1]"
2 56 GLN 0.656 0.117 3 0 "[ . 1]"
2 57 ILE 7.687 0.258 3 0 "[ . 1]"
2 58 ARG 4.956 0.235 4 0 "[ . 1]"
2 59 PHE 5.009 0.286 4 0 "[ . 1]"
2 60 ARG 1.252 0.173 6 0 "[ . 1]"
2 61 PHE 3.310 0.142 10 0 "[ . 1]"
2 62 ASP 1.499 0.300 9 0 "[ . 1]"
2 63 GLY 0.000 0.000 . 0 "[ . 1]"
2 64 GLN 4.063 0.284 10 0 "[ . 1]"
2 65 PRO 4.039 0.274 5 0 "[ . 1]"
2 66 ILE 8.624 0.558 1 1 "[+ . 1]"
2 67 ASN 5.463 0.558 1 1 "[+ . 1]"
2 68 GLU 4.456 0.191 2 0 "[ . 1]"
2 69 THR 1.586 0.129 1 0 "[ . 1]"
2 70 ASP 3.055 0.165 1 0 "[ . 1]"
2 71 THR 1.566 0.384 4 0 "[ . 1]"
2 72 PRO 2.470 0.217 6 0 "[ . 1]"
2 73 ALA 1.288 0.180 10 0 "[ . 1]"
2 74 GLN 4.726 0.384 4 0 "[ . 1]"
2 75 LEU 3.412 0.148 1 0 "[ . 1]"
2 76 GLU 1.525 0.148 1 0 "[ . 1]"
2 77 MET 4.590 0.217 6 0 "[ . 1]"
2 78 GLU 1.136 0.316 10 0 "[ . 1]"
2 79 ASP 0.924 0.316 10 0 "[ . 1]"
2 80 GLU 1.947 0.088 7 0 "[ . 1]"
2 81 ASP 2.690 0.181 6 0 "[ . 1]"
2 82 THR 4.550 0.378 1 0 "[ . 1]"
2 83 ILE 4.720 0.286 4 0 "[ . 1]"
2 84 ASP 2.139 0.209 10 0 "[ . 1]"
2 85 VAL 5.952 0.163 9 0 "[ . 1]"
2 86 PHE 0.676 0.082 8 0 "[ . 1]"
2 87 GLN 5.345 0.258 3 0 "[ . 1]"
2 88 GLN 0.463 0.043 4 0 "[ . 1]"
2 89 GLN 0.378 0.199 1 0 "[ . 1]"
2 90 THR 0.446 0.199 1 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 12 ALA H 1 73 ILE H 3.354 . 4.760 3.896 3.627 4.251 . 0 0 "[ . 1]" 1
2 1 73 ILE H 1 74 ASP H 3.636 . 5.289 4.336 4.283 4.397 . 0 0 "[ . 1]" 1
3 1 72 THR H 1 73 ILE H 3.676 . 5.365 4.190 4.131 4.243 . 0 0 "[ . 1]" 1
4 1 72 THR HA 1 73 ILE H 2.285 . 2.938 2.024 1.987 2.097 . 0 0 "[ . 1]" 1
5 1 11 VAL HA 1 73 ILE H 2.849 . 3.863 2.625 2.546 2.799 . 0 0 "[ . 1]" 1
6 1 72 THR HB 1 73 ILE H 3.454 . 4.946 4.129 4.019 4.201 . 0 0 "[ . 1]" 1
7 1 10 LYS HB3 1 73 ILE H 3.291 . 4.645 3.704 3.570 3.893 . 0 0 "[ . 1]" 1
8 1 73 ILE H 1 73 ILE HB 2.612 . 3.465 2.371 2.307 2.440 . 0 0 "[ . 1]" 1
9 1 72 THR MG 1 73 ILE H 2.529 . 3.329 2.377 2.273 2.626 . 0 0 "[ . 1]" 1
10 1 73 ILE H 1 73 ILE MG 3.177 . 4.439 3.577 3.510 3.653 . 0 0 "[ . 1]" 1
11 1 73 ILE H 1 73 ILE HG12 3.119 . 4.335 3.410 3.290 3.479 . 0 0 "[ . 1]" 1
12 1 73 ILE H 1 73 ILE MD 3.153 . 4.396 3.807 3.754 3.872 . 0 0 "[ . 1]" 1
13 1 11 VAL MG2 1 73 ILE H 3.474 . 4.983 4.625 4.561 4.702 . 0 0 "[ . 1]" 1
14 1 21 PHE HA 1 21 PHE QD 2.582 . 3.415 2.643 2.523 2.864 . 0 0 "[ . 1]" 1
15 1 21 PHE HB3 1 21 PHE QD 2.348 . 3.037 2.493 2.430 2.533 . 0 0 "[ . 1]" 1
16 1 21 PHE HB2 1 21 PHE QD 2.347 . 3.035 2.285 2.250 2.326 . 0 0 "[ . 1]" 1
17 1 18 VAL MG2 1 19 VAL H 2.504 . 3.288 1.788 1.743 1.814 . 0 0 "[ . 1]" 1
18 1 11 VAL MG2 1 19 VAL H 3.466 . 4.968 3.869 3.767 3.995 . 0 0 "[ . 1]" 1
19 1 19 VAL H 1 36 TYR QE 3.417 . 4.877 4.248 4.013 4.379 . 0 0 "[ . 1]" 1
20 1 18 VAL HA 1 19 VAL H 2.132 . 2.700 2.481 2.433 2.507 . 0 0 "[ . 1]" 1
21 1 36 TYR HB3 1 36 TYR QD 2.353 . 3.045 2.287 2.244 2.316 . 0 0 "[ . 1]" 1
22 1 19 VAL H 1 19 VAL HB 2.542 . 3.350 2.894 2.850 2.999 . 0 0 "[ . 1]" 1
23 1 18 VAL HB 1 19 VAL H 3.087 . 4.279 3.426 3.391 3.510 . 0 0 "[ . 1]" 1
24 1 10 LYS HB2 1 19 VAL H 3.668 . 5.350 5.526 5.478 5.605 0.255 5 0 "[ . 1]" 1
25 1 12 ALA MB 1 19 VAL H 3.330 . 4.716 4.579 4.449 4.668 . 0 0 "[ . 1]" 1
26 1 19 VAL H 1 19 VAL MG2 2.572 . 3.399 2.787 2.640 2.940 . 0 0 "[ . 1]" 1
27 1 50 ARG H 1 74 ASP H 2.903 . 3.956 3.423 3.051 3.700 . 0 0 "[ . 1]" 1
28 1 74 ASP H 1 75 VAL H 3.188 . 4.458 4.523 4.506 4.543 0.085 10 0 "[ . 1]" 1
29 1 73 ILE HA 1 74 ASP H 2.261 . 2.900 2.169 2.112 2.245 . 0 0 "[ . 1]" 1
30 1 73 ILE HG13 1 74 ASP H 3.285 . 4.634 4.848 4.780 4.899 0.265 10 0 "[ . 1]" 1
31 1 49 PHE QD 1 75 VAL HA 2.989 . 4.106 3.539 2.581 4.123 0.017 10 0 "[ . 1]" 1
32 1 48 ARG HA 1 49 PHE QD 2.959 . 4.053 3.240 2.237 3.942 . 0 0 "[ . 1]" 1
33 1 49 PHE HB3 1 49 PHE QD 2.457 . 3.212 2.334 2.217 2.553 . 0 0 "[ . 1]" 1
34 1 49 PHE HB2 1 49 PHE QD 2.464 . 3.223 2.663 2.533 2.744 . 0 0 "[ . 1]" 1
35 1 72 THR MG 1 74 ASP H 3.504 . 5.039 3.982 3.863 4.077 . 0 0 "[ . 1]" 1
36 1 43 SER H 1 44 MET H 3.748 . 5.504 2.065 1.898 2.286 0.094 9 0 "[ . 1]" 1
37 1 44 MET H 1 44 MET HA 2.845 . 3.857 2.275 2.255 2.295 . 0 0 "[ . 1]" 1
38 1 43 SER HB3 1 44 MET H 3.057 . 4.225 3.155 2.747 3.728 . 0 0 "[ . 1]" 1
39 1 43 SER HB2 1 44 MET H 3.208 . 4.494 4.020 3.847 4.211 . 0 0 "[ . 1]" 1
40 1 37 CYS HB3 1 44 MET H 3.855 . 5.713 4.864 4.248 5.233 . 0 0 "[ . 1]" 1
41 1 76 PHE HA 1 76 PHE QD 2.586 . 3.422 2.400 2.193 2.548 . 0 0 "[ . 1]" 1
42 1 76 PHE HB3 1 76 PHE QD 2.425 . 3.160 2.579 2.504 2.671 . 0 0 "[ . 1]" 1
43 1 76 PHE HB2 1 76 PHE QD 2.315 . 2.985 2.376 2.322 2.418 . 0 0 "[ . 1]" 1
44 1 50 ARG HB3 1 76 PHE QD 2.877 . 3.912 2.676 1.907 3.777 . 0 0 "[ . 1]" 1
45 1 50 ARG HG2 1 76 PHE QD 2.881 . 3.918 4.187 3.998 4.245 0.327 10 0 "[ . 1]" 1
46 1 53 GLY H 1 53 GLY HA3 2.417 . 3.147 2.775 2.743 2.813 . 0 0 "[ . 1]" 1
47 1 52 ASP HA 1 53 GLY H 2.472 . 3.236 2.131 2.105 2.174 . 0 0 "[ . 1]" 1
48 1 53 GLY H 1 53 GLY HA2 2.308 . 2.974 2.270 2.264 2.280 . 0 0 "[ . 1]" 1
49 1 50 ARG HD2 1 53 GLY H 3.059 . 4.229 2.830 2.353 3.876 . 0 0 "[ . 1]" 1
50 1 50 ARG HG3 1 53 GLY H 3.816 . 5.637 5.410 4.211 5.756 0.119 6 0 "[ . 1]" 1
51 1 58 GLU H 1 59 THR H 2.693 . 3.599 2.577 2.275 2.763 . 0 0 "[ . 1]" 1
52 1 50 ARG HD3 1 76 PHE HE2 2.702 . 3.614 3.311 2.627 3.627 0.013 5 0 "[ . 1]" 1
53 1 57 ASN HA 1 59 THR H 3.201 . 4.482 4.245 3.943 4.515 0.033 4 0 "[ . 1]" 1
54 1 50 ARG HB3 1 76 PHE HE2 2.642 . 3.514 2.027 1.762 2.760 0.008 5 0 "[ . 1]" 1
55 1 50 ARG HB2 1 76 PHE HE2 2.848 . 3.862 2.509 1.996 3.317 . 0 0 "[ . 1]" 1
56 1 50 ARG HG2 1 76 PHE HE2 2.961 . 4.057 3.619 2.804 3.875 . 0 0 "[ . 1]" 1
57 1 50 ARG HG3 1 76 PHE HE2 3.239 . 4.550 2.952 1.984 4.056 . 0 0 "[ . 1]" 1
58 1 57 ASN HB3 1 59 THR H 2.632 . 3.498 2.539 2.266 2.859 . 0 0 "[ . 1]" 1
59 1 57 ASN HB2 1 59 THR H 2.882 . 3.920 3.688 3.013 3.950 0.030 2 0 "[ . 1]" 1
60 1 49 PHE HA 1 49 PHE QE 3.281 . 4.626 4.514 4.397 4.587 . 0 0 "[ . 1]" 1
61 1 49 PHE HB2 1 49 PHE QE 3.121 . 4.338 4.425 4.380 4.463 0.125 5 0 "[ . 1]" 1
62 1 20 GLN H 1 20 GLN HA 2.655 . 3.536 2.914 2.904 2.936 . 0 0 "[ . 1]" 1
63 1 33 MET HB2 1 49 PHE QE 2.646 . 3.521 3.618 3.277 3.748 0.227 6 0 "[ . 1]" 1
64 1 19 VAL HA 1 20 GLN H 1.950 . 2.425 2.288 2.253 2.332 . 0 0 "[ . 1]" 1
65 1 47 ILE MG 1 49 PHE QE 2.886 . 3.927 2.600 1.818 3.718 0.027 1 0 "[ . 1]" 1
66 1 49 PHE QE 1 75 VAL MG1 2.907 . 3.964 3.828 3.404 4.038 0.074 10 0 "[ . 1]" 1
67 1 19 VAL MG1 1 20 GLN H 2.286 . 2.939 2.063 1.927 2.244 . 0 0 "[ . 1]" 1
68 1 19 VAL H 1 20 GLN H 3.687 . 5.387 4.376 4.348 4.399 . 0 0 "[ . 1]" 1
69 1 36 TYR HB2 1 49 PHE QE 3.259 . 4.587 2.622 2.236 3.167 . 0 0 "[ . 1]" 1
70 1 49 PHE HB3 1 49 PHE QE 3.186 . 4.455 4.354 4.321 4.415 . 0 0 "[ . 1]" 1
71 1 33 MET HG3 1 49 PHE QE 3.214 . 4.505 4.090 3.480 4.696 0.191 2 0 "[ . 1]" 1
72 1 48 ARG H 1 76 PHE H 2.710 . 3.628 3.259 3.071 3.432 . 0 0 "[ . 1]" 1
73 1 76 PHE H 1 76 PHE QD 2.807 . 3.792 3.680 3.568 3.842 0.050 3 0 "[ . 1]" 1
74 1 49 PHE HA 1 76 PHE H 2.932 . 4.006 2.583 2.499 2.690 . 0 0 "[ . 1]" 1
75 1 47 ILE HA 1 76 PHE H 3.506 . 5.043 5.016 4.711 5.235 0.192 9 0 "[ . 1]" 1
76 1 76 PHE H 1 76 PHE HB3 2.837 . 3.843 3.818 3.754 3.865 0.022 4 0 "[ . 1]" 1
77 1 76 PHE H 1 76 PHE HB2 2.716 . 3.638 2.741 2.640 2.827 . 0 0 "[ . 1]" 1
78 1 48 ARG HB2 1 76 PHE H 3.468 . 4.971 4.173 3.893 4.428 . 0 0 "[ . 1]" 1
79 1 75 VAL MG1 1 76 PHE H 2.610 . 3.462 2.310 2.175 2.420 . 0 0 "[ . 1]" 1
80 1 75 VAL MG2 1 76 PHE H 2.752 . 3.698 3.234 3.106 3.371 . 0 0 "[ . 1]" 1
81 1 57 ASN H 1 57 ASN HD22 3.466 . 4.968 4.775 4.227 4.997 0.029 5 0 "[ . 1]" 1
82 1 57 ASN H 1 57 ASN HA 2.671 . 3.563 2.938 2.931 2.946 . 0 0 "[ . 1]" 1
83 1 56 ILE HA 1 57 ASN H 2.169 . 2.757 2.090 1.979 2.169 . 0 0 "[ . 1]" 1
84 1 57 ASN H 1 57 ASN HB2 2.554 . 3.369 2.459 2.336 2.649 . 0 0 "[ . 1]" 1
85 1 57 ASN H 1 60 ASP HB2 3.179 . 4.442 2.009 1.902 2.145 0.014 9 0 "[ . 1]" 1
86 1 56 ILE MG 1 57 ASN H 2.493 . 3.270 1.918 1.812 2.152 . 0 0 "[ . 1]" 1
87 1 56 ILE MD 1 57 ASN H 3.522 . 5.073 3.743 3.266 4.380 . 0 0 "[ . 1]" 1
88 1 57 ASN H 1 57 ASN HD21 3.155 . 4.400 3.537 3.101 4.350 . 0 0 "[ . 1]" 1
89 1 57 ASN H 1 59 THR H 3.828 . 5.659 4.986 4.745 5.217 . 0 0 "[ . 1]" 1
90 1 57 ASN H 1 57 ASN HB3 2.766 . 3.723 3.586 3.466 3.761 0.038 1 0 "[ . 1]" 1
91 1 29 LEU MD1 1 57 ASN H 3.473 . 4.981 3.610 3.387 3.744 . 0 0 "[ . 1]" 1
92 1 8 ASN HA 1 9 LEU H 2.189 . 2.788 2.259 2.218 2.307 . 0 0 "[ . 1]" 1
93 1 9 LEU H 1 22 LYS HA 2.983 . 4.095 3.002 2.721 3.401 . 0 0 "[ . 1]" 1
94 1 9 LEU H 1 20 GLN HA 3.750 . 5.508 4.018 3.741 4.205 . 0 0 "[ . 1]" 1
95 1 9 LEU H 1 21 PHE HB3 3.654 . 5.323 4.316 3.950 4.596 . 0 0 "[ . 1]" 1
96 1 9 LEU H 1 9 LEU HB2 2.907 . 3.963 2.429 2.401 2.464 . 0 0 "[ . 1]" 1
97 1 9 LEU H 1 10 LYS H 3.699 . 5.409 4.358 4.246 4.415 . 0 0 "[ . 1]" 1
98 1 6 HIS HB3 1 6 HIS HD2 3.000 . 4.125 2.819 2.525 3.361 . 0 0 "[ . 1]" 1
99 1 9 LEU H 1 9 LEU HA 2.983 . 4.095 2.927 2.922 2.933 . 0 0 "[ . 1]" 1
100 1 6 HIS HD2 1 22 LYS HB2 3.156 . 4.401 4.057 3.663 4.557 0.156 5 0 "[ . 1]" 1
101 1 9 LEU H 1 9 LEU HB3 2.534 . 3.337 3.495 3.437 3.531 0.194 4 0 "[ . 1]" 1
102 1 9 LEU H 1 32 LEU HG 3.641 . 5.298 5.123 4.932 5.317 0.019 5 0 "[ . 1]" 1
103 1 26 HIS HB2 1 26 HIS HD2 2.864 . 3.889 3.120 2.945 3.331 . 0 0 "[ . 1]" 1
104 1 4 ASN HB2 1 26 HIS HD2 3.171 . 4.428 3.346 2.471 4.443 0.015 4 0 "[ . 1]" 1
105 1 25 ARG HB2 1 26 HIS HD2 3.022 . 4.164 2.485 2.068 3.522 . 0 0 "[ . 1]" 1
106 1 26 HIS HD2 1 63 ALA MB 2.908 . 3.965 2.997 2.653 3.534 . 0 0 "[ . 1]" 1
107 1 4 ASN HA 1 26 HIS HD2 2.955 . 4.046 2.354 1.992 3.716 . 0 0 "[ . 1]" 1
108 1 26 HIS HB3 1 26 HIS HD2 3.057 . 4.225 3.962 3.932 3.974 . 0 0 "[ . 1]" 1
109 1 78 GLN H 1 78 GLN HB2 2.338 . 3.021 3.030 2.986 3.080 0.059 7 0 "[ . 1]" 1
110 1 23 ILE HA 1 24 LYS H 2.401 . 3.122 2.115 2.067 2.225 . 0 0 "[ . 1]" 1
111 1 24 LYS H 1 24 LYS HA 2.940 . 4.020 2.736 2.609 2.826 . 0 0 "[ . 1]" 1
112 1 24 LYS H 1 27 THR HB 3.114 . 4.326 3.726 3.283 4.306 . 0 0 "[ . 1]" 1
113 1 24 LYS H 1 24 LYS HB2 2.331 . 3.010 2.476 2.342 2.682 . 0 0 "[ . 1]" 1
114 1 23 ILE HG12 1 24 LYS H 2.745 . 3.687 2.814 2.423 3.030 . 0 0 "[ . 1]" 1
115 1 57 ASN H 1 60 ASP H 3.139 . 4.371 3.590 3.344 3.867 . 0 0 "[ . 1]" 1
116 1 58 GLU H 1 60 ASP H 3.021 . 4.162 3.882 3.627 4.079 . 0 0 "[ . 1]" 1
117 1 59 THR H 1 60 ASP H 2.292 . 2.949 2.362 2.292 2.403 . 0 0 "[ . 1]" 1
118 1 57 ASN HA 1 60 ASP H 3.563 . 5.150 4.378 4.152 4.613 . 0 0 "[ . 1]" 1
119 1 59 THR HB 1 60 ASP H 3.516 . 5.061 3.957 3.839 4.171 . 0 0 "[ . 1]" 1
120 1 59 THR HA 1 60 ASP H 2.882 . 3.920 3.433 3.360 3.465 . 0 0 "[ . 1]" 1
121 1 58 GLU HA 1 60 ASP H 3.110 . 4.319 4.273 4.024 4.348 0.029 9 0 "[ . 1]" 1
122 1 57 ASN HB2 1 60 ASP H 2.876 . 3.910 2.635 1.996 3.078 . 0 0 "[ . 1]" 1
123 1 60 ASP H 1 60 ASP HB2 2.559 . 3.377 2.272 2.211 2.349 . 0 0 "[ . 1]" 1
124 1 59 THR MG 1 60 ASP H 3.057 . 4.225 4.154 3.971 4.239 0.014 5 0 "[ . 1]" 1
125 1 56 ILE MG 1 60 ASP H 3.068 . 4.245 4.099 3.862 4.283 0.038 9 0 "[ . 1]" 1
126 1 29 LEU MD1 1 60 ASP H 3.048 . 4.210 4.176 3.958 4.256 0.046 10 0 "[ . 1]" 1
127 1 8 ASN H 1 70 GLU H 3.103 . 4.307 2.477 2.086 4.397 0.090 1 0 "[ . 1]" 1
128 1 24 LYS HB2 1 27 THR HB 2.482 . 3.252 3.309 3.112 3.393 0.141 7 0 "[ . 1]" 1
129 1 8 ASN H 1 70 GLU HA 3.710 . 5.431 4.057 3.766 4.950 . 0 0 "[ . 1]" 1
130 1 23 ILE HG13 1 27 THR HB 2.628 . 3.491 2.504 2.366 2.858 . 0 0 "[ . 1]" 1
131 1 23 ILE MD 1 27 THR HB 2.339 . 3.023 2.422 1.998 3.039 0.016 9 0 "[ . 1]" 1
132 1 80 THR HB 1 80 THR MG 1.875 . 2.314 2.104 2.080 2.116 . 0 0 "[ . 1]" 1
133 1 7 ILE HG13 1 8 ASN H 3.016 . 4.153 3.414 3.291 3.547 . 0 0 "[ . 1]" 1
134 1 7 ILE MG 1 8 ASN H 2.960 . 4.055 4.175 4.105 4.212 0.157 4 0 "[ . 1]" 1
135 1 7 ILE MD 1 8 ASN H 3.352 . 4.757 4.537 4.497 4.585 . 0 0 "[ . 1]" 1
136 1 8 ASN H 1 8 ASN HA 2.948 . 4.034 2.884 2.880 2.892 . 0 0 "[ . 1]" 1
137 1 28 PRO HB3 1 59 THR HB 2.988 . 4.104 3.658 3.516 3.770 . 0 0 "[ . 1]" 1
138 1 3 GLU H 1 3 GLU HB3 3.487 . 5.007 3.295 2.738 3.957 . 0 0 "[ . 1]" 1
139 1 3 GLU H 1 3 GLU HB2 3.157 . 4.402 2.969 2.248 3.833 . 0 0 "[ . 1]" 1
140 1 21 PHE H 1 22 LYS H 3.192 . 4.466 4.022 3.887 4.232 . 0 0 "[ . 1]" 1
141 1 61 THR HA 1 61 THR HB 2.311 . 2.979 2.282 2.266 2.296 . 0 0 "[ . 1]" 1
142 1 26 HIS HA 1 61 THR HB 2.513 . 3.303 3.296 3.140 3.358 0.055 9 0 "[ . 1]" 1
143 1 61 THR HB 1 61 THR MG 2.128 . 2.694 2.117 2.104 2.121 . 0 0 "[ . 1]" 1
144 1 22 LYS H 1 22 LYS HA 2.744 . 3.685 2.907 2.893 2.924 . 0 0 "[ . 1]" 1
145 1 21 PHE HB3 1 22 LYS H 2.583 . 3.417 3.502 3.457 3.544 0.127 10 0 "[ . 1]" 1
146 1 62 PRO HA 1 65 LEU HB3 2.610 . 3.462 3.653 3.636 3.687 0.225 2 0 "[ . 1]" 1
147 1 62 PRO HA 1 67 MET ME 2.767 . 3.724 2.873 2.132 3.852 0.128 7 0 "[ . 1]" 1
148 1 78 GLN H 1 79 GLN H 3.647 . 5.309 3.644 3.150 4.602 . 0 0 "[ . 1]" 1
149 1 78 GLN HA 1 79 GLN H 2.360 . 3.056 2.340 2.136 2.683 . 0 0 "[ . 1]" 1
150 1 79 GLN H 1 79 GLN HB3 3.101 . 4.303 3.557 3.002 3.926 . 0 0 "[ . 1]" 1
151 1 28 PRO HA 1 61 THR HA 2.523 . 3.319 3.435 3.398 3.464 0.145 10 0 "[ . 1]" 1
152 1 29 LEU H 1 60 ASP H 3.812 . 5.628 4.319 4.252 4.498 . 0 0 "[ . 1]" 1
153 1 29 LEU H 1 61 THR H 3.797 . 5.599 4.464 4.396 4.521 . 0 0 "[ . 1]" 1
154 1 28 PRO HA 1 28 PRO HB3 2.180 . 2.774 2.268 2.259 2.288 . 0 0 "[ . 1]" 1
155 1 27 THR MG 1 28 PRO HA 3.181 . 4.446 4.021 3.736 4.208 . 0 0 "[ . 1]" 1
156 1 28 PRO HB3 1 29 LEU H 2.882 . 3.920 3.761 3.666 3.871 . 0 0 "[ . 1]" 1
157 1 28 PRO HG3 1 29 LEU H 3.651 . 5.317 5.279 5.166 5.333 0.016 3 0 "[ . 1]" 1
158 1 28 PRO HA 1 29 LEU HG 3.307 . 4.674 3.982 3.928 4.047 . 0 0 "[ . 1]" 1
159 1 29 LEU H 1 29 LEU HG 2.646 . 3.521 2.229 2.125 2.303 . 0 0 "[ . 1]" 1
160 1 36 TYR HA 1 36 TYR QD 2.066 . 2.600 2.171 1.984 2.343 . 0 0 "[ . 1]" 1
161 1 36 TYR HA 1 36 TYR QE 3.033 . 4.183 4.321 4.227 4.408 0.225 7 0 "[ . 1]" 1
162 1 36 TYR HA 1 36 TYR HB3 2.463 . 3.222 3.025 3.006 3.053 . 0 0 "[ . 1]" 1
163 1 36 TYR HA 1 36 TYR HB2 2.387 . 3.099 2.528 2.493 2.569 . 0 0 "[ . 1]" 1
164 1 36 TYR HA 1 39 ARG HB3 2.631 . 3.497 3.213 1.905 4.089 0.592 5 1 "[ + 1]" 1
165 1 36 TYR HA 1 39 ARG HB2 2.733 . 3.666 2.843 2.174 3.731 0.065 5 0 "[ . 1]" 1
166 1 36 TYR HA 1 39 ARG HG3 2.866 . 3.893 2.253 1.782 2.889 0.057 5 0 "[ . 1]" 1
167 1 35 ALA MB 1 36 TYR HA 2.972 . 4.076 3.922 3.838 4.005 . 0 0 "[ . 1]" 1
168 1 8 ASN HA 1 23 ILE H 3.241 . 4.554 3.604 3.312 3.754 . 0 0 "[ . 1]" 1
169 1 23 ILE H 1 23 ILE HB 3.160 . 4.408 3.595 3.369 3.848 . 0 0 "[ . 1]" 1
170 1 22 LYS H 1 23 ILE H 3.532 . 5.091 4.412 4.321 4.455 . 0 0 "[ . 1]" 1
171 1 72 THR HA 1 72 THR HB 2.317 . 2.988 2.998 2.986 3.008 0.020 1 0 "[ . 1]" 1
172 1 10 LYS HE3 1 72 THR HA 3.191 . 4.464 3.994 3.114 4.471 0.007 1 0 "[ . 1]" 1
173 1 10 LYS HB3 1 72 THR HA 2.217 . 2.831 2.948 2.920 2.993 0.162 4 0 "[ . 1]" 1
174 1 12 ALA HA 1 18 VAL H 3.587 . 5.195 3.759 3.623 3.985 . 0 0 "[ . 1]" 1
175 1 18 VAL H 1 18 VAL HA 2.653 . 3.533 2.944 2.937 2.954 . 0 0 "[ . 1]" 1
176 1 17 SER HA 1 18 VAL H 1.949 . 2.424 2.143 2.118 2.224 . 0 0 "[ . 1]" 1
177 1 18 VAL H 1 19 VAL MG2 3.498 . 5.027 4.264 4.072 4.423 . 0 0 "[ . 1]" 1
178 1 11 VAL MG2 1 18 VAL HA 3.312 . 4.683 3.929 3.710 4.119 . 0 0 "[ . 1]" 1
179 1 18 VAL H 1 18 VAL MG2 2.895 . 3.943 3.565 3.528 3.667 . 0 0 "[ . 1]" 1
180 1 12 ALA MB 1 18 VAL H 3.794 . 5.593 4.304 4.180 4.442 . 0 0 "[ . 1]" 1
181 1 30 SER HA 1 33 MET HG3 3.329 . 4.714 2.863 1.999 3.907 . 0 0 "[ . 1]" 1
182 1 18 VAL HA 1 18 VAL HB 2.264 . 2.905 2.266 2.254 2.300 . 0 0 "[ . 1]" 1
183 1 18 VAL HA 1 18 VAL MG2 2.029 . 2.543 2.710 2.660 2.727 0.184 2 0 "[ . 1]" 1
184 1 80 THR HA 1 80 THR MG 1.948 . 2.422 2.442 2.273 2.595 0.173 3 0 "[ . 1]" 1
185 1 11 VAL HA 1 11 VAL HB 2.564 . 3.386 2.331 2.298 2.355 . 0 0 "[ . 1]" 1
186 1 11 VAL HA 1 73 ILE HB 2.452 . 3.204 2.407 2.351 2.535 . 0 0 "[ . 1]" 1
187 1 11 VAL HA 1 73 ILE MD 3.129 . 4.353 4.504 4.466 4.529 0.176 4 0 "[ . 1]" 1
188 1 22 LYS HA 1 23 ILE H 2.257 . 2.894 2.087 2.051 2.144 . 0 0 "[ . 1]" 1
189 1 11 VAL HA 1 12 ALA MB 2.855 . 3.874 3.888 3.858 3.921 0.047 6 0 "[ . 1]" 1
190 1 11 VAL HA 1 75 VAL MG2 3.095 . 4.292 3.965 3.850 4.098 . 0 0 "[ . 1]" 1
191 1 22 LYS HG2 1 23 ILE H 3.272 . 4.610 3.396 2.397 4.295 . 0 0 "[ . 1]" 1
192 1 23 ILE H 1 23 ILE MG 2.552 . 3.366 2.234 2.058 2.350 . 0 0 "[ . 1]" 1
193 1 50 ARG H 1 76 PHE H 3.478 . 4.990 3.640 3.328 3.953 . 0 0 "[ . 1]" 1
194 1 28 PRO HB3 1 59 THR HA 2.239 . 2.866 1.733 1.574 1.920 0.038 9 0 "[ . 1]" 1
195 1 49 PHE HA 1 50 ARG H 2.213 . 2.825 2.230 2.155 2.293 . 0 0 "[ . 1]" 1
196 1 28 PRO HG3 1 59 THR HA 2.879 . 3.915 3.674 3.471 3.926 0.011 3 0 "[ . 1]" 1
197 1 59 THR HA 1 59 THR MG 1.910 . 2.366 2.260 2.201 2.373 0.007 7 0 "[ . 1]" 1
198 1 50 ARG H 1 74 ASP HB2 3.016 . 4.153 3.074 2.767 3.642 . 0 0 "[ . 1]" 1
199 1 51 PHE QD 1 73 ILE HA 2.644 . 3.518 3.070 2.681 3.377 . 0 0 "[ . 1]" 1
200 1 73 ILE HA 1 73 ILE HG13 2.539 . 3.345 3.489 3.472 3.506 0.161 4 0 "[ . 1]" 1
201 1 72 THR MG 1 73 ILE HA 3.051 . 4.214 3.665 3.627 3.702 . 0 0 "[ . 1]" 1
202 1 73 ILE HA 1 73 ILE MG 2.318 . 2.990 2.667 2.578 2.794 . 0 0 "[ . 1]" 1
203 1 50 ARG H 1 73 ILE MG 2.677 . 3.573 3.436 3.292 3.580 0.007 9 0 "[ . 1]" 1
204 1 50 ARG H 1 56 ILE MD 3.149 . 4.389 4.129 3.432 4.434 0.045 4 0 "[ . 1]" 1
205 1 50 ARG H 1 75 VAL MG1 3.794 . 5.593 4.876 4.568 5.182 . 0 0 "[ . 1]" 1
206 1 27 THR HA 1 27 THR MG 2.162 . 2.746 2.504 2.331 2.797 0.051 2 0 "[ . 1]" 1
207 1 50 ARG H 1 56 ILE H 3.799 . 5.603 4.964 4.566 5.628 0.025 3 0 "[ . 1]" 1
208 1 19 VAL HA 1 19 VAL HB 2.260 . 2.899 2.993 2.981 3.004 0.105 6 0 "[ . 1]" 1
209 1 19 VAL HA 1 19 VAL MG2 1.950 . 2.425 2.470 2.396 2.560 0.135 3 0 "[ . 1]" 1
210 1 11 VAL H 1 19 VAL H 2.578 . 3.409 2.295 2.129 2.444 . 0 0 "[ . 1]" 1
211 1 11 VAL H 1 21 PHE QD 3.348 . 4.749 3.207 2.979 3.402 . 0 0 "[ . 1]" 1
212 1 11 VAL H 1 36 TYR QE 3.738 . 5.485 5.548 5.524 5.589 0.104 9 0 "[ . 1]" 1
213 1 75 VAL HA 1 75 VAL MG1 3.160 . 4.408 2.688 2.642 2.757 . 0 0 "[ . 1]" 1
214 1 10 LYS HA 1 11 VAL H 2.129 . 2.696 2.245 2.207 2.261 . 0 0 "[ . 1]" 1
215 1 11 VAL H 1 19 VAL HA 3.792 . 5.590 4.292 4.193 4.373 . 0 0 "[ . 1]" 1
216 1 6 HIS HB2 1 7 ILE HA 3.347 . 4.747 4.370 4.229 4.477 . 0 0 "[ . 1]" 1
217 1 51 PHE HB3 1 73 ILE HA 3.280 . 4.625 4.865 4.835 4.902 0.277 8 0 "[ . 1]" 1
218 1 73 ILE HA 1 73 ILE HB 2.522 . 3.317 3.026 3.016 3.034 . 0 0 "[ . 1]" 1
219 1 11 VAL H 1 11 VAL MG1 2.501 . 3.283 1.736 1.694 1.842 0.025 9 0 "[ . 1]" 1
220 1 56 ILE HA 1 57 ASN HB2 3.355 . 4.762 4.070 3.891 4.443 . 0 0 "[ . 1]" 1
221 1 55 PRO HB2 1 56 ILE HA 3.399 . 4.843 4.722 4.365 5.105 0.262 9 0 "[ . 1]" 1
222 1 56 ILE HA 1 56 ILE MD 2.745 . 3.687 3.320 3.066 3.629 . 0 0 "[ . 1]" 1
223 1 34 LYS H 1 35 ALA H 2.407 . 3.131 2.603 2.441 2.775 . 0 0 "[ . 1]" 1
224 1 56 ILE HA 1 60 ASP HB2 3.390 . 4.827 3.556 3.437 3.687 . 0 0 "[ . 1]" 1
225 1 56 ILE HA 1 56 ILE HB 2.293 . 2.950 2.970 2.956 2.978 0.028 5 0 "[ . 1]" 1
226 1 56 ILE HA 1 56 ILE HG13 2.599 . 3.443 3.341 3.189 3.462 0.019 6 0 "[ . 1]" 1
227 1 32 LEU HA 1 35 ALA H 2.905 . 3.960 3.636 3.431 3.853 . 0 0 "[ . 1]" 1
228 1 35 ALA H 1 36 TYR HB2 3.338 . 4.731 4.625 4.439 4.733 0.002 9 0 "[ . 1]" 1
229 1 23 ILE HA 1 23 ILE HB 2.090 . 2.636 2.294 2.218 2.375 . 0 0 "[ . 1]" 1
230 1 23 ILE HA 1 23 ILE HG12 2.343 . 3.029 3.105 3.059 3.166 0.137 7 0 "[ . 1]" 1
231 1 32 LEU H 1 33 MET H 2.357 . 3.051 2.747 2.599 2.948 . 0 0 "[ . 1]" 1
232 1 6 HIS HD2 1 23 ILE HA 2.650 . 3.528 2.986 1.932 3.746 0.218 8 0 "[ . 1]" 1
233 1 29 LEU HA 1 32 LEU H 2.902 . 3.955 2.872 2.720 2.998 . 0 0 "[ . 1]" 1
234 1 32 LEU H 1 32 LEU HA 2.661 . 3.546 2.775 2.702 2.813 . 0 0 "[ . 1]" 1
235 1 34 LYS HA 1 37 CYS HB2 2.547 . 3.358 2.537 2.339 3.072 . 0 0 "[ . 1]" 1
236 1 32 LEU H 1 32 LEU HB2 2.569 . 3.394 2.545 2.477 2.597 . 0 0 "[ . 1]" 1
237 1 23 ILE MD 1 32 LEU H 2.816 . 3.807 2.760 2.631 3.106 . 0 0 "[ . 1]" 1
238 1 31 LYS HA 1 31 LYS HB2 2.033 . 2.549 2.611 2.490 2.667 0.118 5 0 "[ . 1]" 1
239 1 31 LYS HA 1 31 LYS HG3 2.278 . 2.927 2.220 2.095 2.422 . 0 0 "[ . 1]" 1
240 1 47 ILE HA 1 77 GLN HB2 3.021 . 4.162 3.919 3.563 4.186 0.024 4 0 "[ . 1]" 1
241 1 47 ILE HA 1 47 ILE HB 2.118 . 2.679 2.453 2.272 2.652 . 0 0 "[ . 1]" 1
242 1 47 ILE HA 1 47 ILE MG 2.533 . 3.335 3.141 3.120 3.162 . 0 0 "[ . 1]" 1
243 1 76 PHE QD 1 77 GLN H 3.115 . 4.328 3.829 3.679 3.939 . 0 0 "[ . 1]" 1
244 1 47 ILE HA 1 75 VAL MG1 3.048 . 4.209 4.313 4.272 4.406 0.197 7 0 "[ . 1]" 1
245 1 76 PHE HB2 1 77 GLN H 2.701 . 3.613 3.969 3.782 4.113 0.500 8 0 "[ . 1]" 1
246 1 47 ILE HA 1 77 GLN HB3 3.023 . 4.166 3.659 3.236 4.022 . 0 0 "[ . 1]" 1
247 1 77 GLN H 1 77 GLN HB3 2.514 . 3.304 3.282 3.149 3.373 0.069 7 0 "[ . 1]" 1
248 1 75 VAL MG1 1 77 GLN H 3.562 . 5.148 3.731 3.343 4.043 . 0 0 "[ . 1]" 1
249 1 32 LEU MD2 1 35 ALA H 3.842 . 5.687 4.913 4.614 5.234 . 0 0 "[ . 1]" 1
250 1 38 GLU HA 1 38 GLU HG3 2.371 . 3.074 3.222 3.096 3.414 0.340 4 0 "[ . 1]" 1
251 1 38 GLU HA 1 38 GLU HG2 2.281 . 2.931 2.652 2.231 3.136 0.205 10 0 "[ . 1]" 1
252 1 21 PHE H 1 21 PHE QD 2.720 . 3.645 3.504 2.766 3.663 0.018 6 0 "[ . 1]" 1
253 1 8 ASN HA 1 21 PHE H 3.333 . 4.722 3.848 3.345 4.491 . 0 0 "[ . 1]" 1
254 1 20 GLN HA 1 21 PHE H 2.064 . 2.596 2.144 2.104 2.186 . 0 0 "[ . 1]" 1
255 1 10 LYS HA 1 21 PHE H 2.833 . 3.836 3.719 3.454 3.916 0.080 6 0 "[ . 1]" 1
256 1 21 PHE H 1 21 PHE HB2 2.558 . 3.376 2.801 2.506 2.920 . 0 0 "[ . 1]" 1
257 1 20 GLN HG2 1 21 PHE H 3.177 . 4.438 4.518 4.439 4.554 0.116 3 0 "[ . 1]" 1
258 1 17 SER HA 1 18 VAL MG1 2.586 . 3.422 3.393 3.305 3.437 0.015 6 0 "[ . 1]" 1
259 1 20 GLN HB3 1 21 PHE H 2.894 . 3.941 3.096 2.957 3.699 . 0 0 "[ . 1]" 1
260 1 9 LEU HB3 1 21 PHE H 3.311 . 4.681 4.233 3.812 4.473 . 0 0 "[ . 1]" 1
261 1 63 ALA MB 1 64 GLN HA 2.784 . 3.753 3.591 3.532 3.648 . 0 0 "[ . 1]" 1
262 1 44 MET HA 1 49 PHE QE 3.318 . 4.694 3.645 2.903 4.647 . 0 0 "[ . 1]" 1
263 1 44 MET HA 1 44 MET HG2 1.955 . 2.433 2.326 2.137 2.459 0.026 8 0 "[ . 1]" 1
264 1 44 MET HA 1 47 ILE MG 2.337 . 3.020 1.612 1.495 1.700 0.159 1 0 "[ . 1]" 1
265 1 48 ARG H 1 49 PHE QD 3.447 . 4.932 3.876 3.633 4.098 . 0 0 "[ . 1]" 1
266 1 47 ILE HA 1 48 ARG H 2.127 . 2.693 2.198 2.152 2.302 . 0 0 "[ . 1]" 1
267 1 14 GLN HA 1 14 GLN HB3 2.000 . 2.500 2.516 2.493 2.541 0.041 9 0 "[ . 1]" 1
268 1 48 ARG H 1 48 ARG HD3 3.718 . 5.446 4.556 4.487 4.680 . 0 0 "[ . 1]" 1
269 1 48 ARG H 1 48 ARG HD2 3.839 . 5.682 5.577 5.455 5.681 . 0 0 "[ . 1]" 1
270 1 61 THR HA 1 62 PRO HD3 2.233 . 2.857 2.162 2.081 2.258 . 0 0 "[ . 1]" 1
271 1 48 ARG H 1 76 PHE HB2 3.337 . 4.729 4.032 3.787 4.394 . 0 0 "[ . 1]" 1
272 1 29 LEU HG 1 61 THR HA 2.601 . 3.447 1.945 1.874 2.023 . 0 0 "[ . 1]" 1
273 1 48 ARG H 1 48 ARG HG2 2.752 . 3.699 3.372 3.135 3.541 . 0 0 "[ . 1]" 1
274 1 48 ARG H 1 48 ARG HB2 2.684 . 3.584 2.644 2.480 2.858 . 0 0 "[ . 1]" 1
275 1 61 THR HA 1 64 GLN HB3 3.258 . 4.585 4.652 4.631 4.668 0.083 5 0 "[ . 1]" 1
276 1 47 ILE HG12 1 48 ARG H 2.532 . 3.333 2.991 1.994 3.489 0.156 9 0 "[ . 1]" 1
277 1 48 ARG H 1 75 VAL MG1 3.110 . 4.319 3.650 3.234 3.876 . 0 0 "[ . 1]" 1
278 1 48 ARG H 1 75 VAL MG2 3.340 . 4.734 4.559 4.154 4.776 0.042 10 0 "[ . 1]" 1
279 1 25 ARG H 1 27 THR H 3.268 . 4.603 4.408 4.216 4.566 . 0 0 "[ . 1]" 1
280 1 26 HIS H 1 27 THR H 2.384 . 3.094 3.087 2.971 3.159 0.065 7 0 "[ . 1]" 1
281 1 69 ASP HA 1 70 GLU HA 3.141 . 4.374 4.258 4.215 4.315 . 0 0 "[ . 1]" 1
282 1 26 HIS HA 1 27 THR H 2.871 . 3.901 2.966 2.870 3.085 . 0 0 "[ . 1]" 1
283 1 27 THR H 1 27 THR HA 2.655 . 3.536 2.934 2.912 2.944 . 0 0 "[ . 1]" 1
284 1 27 THR H 1 61 THR HB 3.319 . 4.696 2.580 2.341 2.725 . 0 0 "[ . 1]" 1
285 1 27 THR H 1 27 THR HB 2.229 . 2.850 2.550 2.419 2.648 . 0 0 "[ . 1]" 1
286 1 45 ARG HA 1 45 ARG HB2 2.112 . 2.669 2.753 2.634 2.859 0.190 2 0 "[ . 1]" 1
287 1 45 ARG HA 1 45 ARG QG 2.103 . 2.656 2.089 2.019 2.160 . 0 0 "[ . 1]" 1
288 1 25 ARG HA 1 27 THR H 3.439 . 4.918 3.527 3.471 3.578 . 0 0 "[ . 1]" 1
289 1 26 HIS HB3 1 27 THR H 3.359 . 4.769 4.406 4.255 4.480 . 0 0 "[ . 1]" 1
290 1 26 HIS HB2 1 27 THR H 3.224 . 4.523 4.145 4.045 4.276 . 0 0 "[ . 1]" 1
291 1 6 HIS HA 1 24 LYS HG2 2.700 . 3.611 3.133 2.292 3.680 0.069 4 0 "[ . 1]" 1
292 1 27 THR H 1 61 THR MG 3.061 . 4.232 3.368 3.192 3.561 . 0 0 "[ . 1]" 1
293 1 23 ILE MD 1 27 THR H 3.289 . 4.641 3.713 3.443 3.953 . 0 0 "[ . 1]" 1
294 1 7 ILE HB 1 69 ASP HA 2.326 . 3.002 1.827 1.742 1.911 . 0 0 "[ . 1]" 1
295 1 7 ILE HG13 1 69 ASP HA 2.622 . 3.481 2.882 2.657 3.092 . 0 0 "[ . 1]" 1
296 1 54 GLN H 1 55 PRO HD3 3.318 . 4.694 3.605 2.776 3.881 . 0 0 "[ . 1]" 1
297 1 7 ILE MD 1 69 ASP HA 2.611 . 3.463 3.368 3.268 3.410 . 0 0 "[ . 1]" 1
298 1 13 GLY H 1 14 GLN H 3.240 . 4.552 4.081 3.108 4.540 . 0 0 "[ . 1]" 1
299 1 24 LYS HA 1 24 LYS HG3 2.614 . 3.468 3.381 2.412 3.628 0.160 3 0 "[ . 1]" 1
300 1 24 LYS HA 1 24 LYS HG2 2.454 . 3.207 2.340 2.165 2.517 . 0 0 "[ . 1]" 1
301 1 14 GLN H 1 14 GLN HA 2.771 . 3.731 2.585 2.240 2.838 . 0 0 "[ . 1]" 1
302 1 67 MET HA 1 67 MET HB3 2.383 . 3.093 2.556 2.478 2.632 . 0 0 "[ . 1]" 1
303 1 14 GLN H 1 14 GLN HB3 2.752 . 3.699 3.716 3.536 3.995 0.296 5 0 "[ . 1]" 1
304 1 14 GLN H 1 14 GLN HB2 2.529 . 3.329 2.752 2.298 3.381 0.052 1 0 "[ . 1]" 1
305 1 14 GLN H 1 75 VAL MG1 3.600 . 5.220 2.821 2.258 3.942 . 0 0 "[ . 1]" 1
306 1 70 GLU H 1 71 ASP H 2.465 . 3.225 2.288 2.118 2.501 . 0 0 "[ . 1]" 1
307 1 49 PHE HA 1 49 PHE QD 2.466 . 3.226 2.671 2.166 3.068 . 0 0 "[ . 1]" 1
308 1 49 PHE HA 1 49 PHE HB3 2.372 . 3.075 2.522 2.475 2.574 . 0 0 "[ . 1]" 1
309 1 49 PHE HA 1 49 PHE HB2 2.355 . 3.048 3.023 3.011 3.046 . 0 0 "[ . 1]" 1
310 1 49 PHE HA 1 75 VAL MG1 2.829 . 3.829 3.738 3.472 3.928 0.099 3 0 "[ . 1]" 1
311 1 71 ASP H 1 71 ASP HA 2.534 . 3.337 2.776 2.685 2.924 . 0 0 "[ . 1]" 1
312 1 69 ASP HA 1 71 ASP H 2.825 . 3.823 3.397 3.186 3.850 0.027 1 0 "[ . 1]" 1
313 1 70 GLU HA 1 71 ASP H 2.663 . 3.550 3.056 2.563 3.269 . 0 0 "[ . 1]" 1
314 1 71 ASP H 1 71 ASP HB3 2.375 . 3.080 3.115 3.077 3.140 0.060 9 0 "[ . 1]" 1
315 1 9 LEU MD1 1 71 ASP HA 2.813 . 3.802 3.880 3.846 3.939 0.137 4 0 "[ . 1]" 1
316 1 70 GLU HB3 1 71 ASP H 3.503 . 5.037 4.108 3.597 4.424 . 0 0 "[ . 1]" 1
317 1 43 SER HA 1 43 SER HB3 2.420 . 3.152 3.001 2.888 3.028 . 0 0 "[ . 1]" 1
318 1 43 SER HA 1 43 SER HB2 2.492 . 3.268 2.556 2.349 2.818 . 0 0 "[ . 1]" 1
319 1 9 LEU MD1 1 71 ASP H 2.483 . 3.253 2.818 2.530 3.020 . 0 0 "[ . 1]" 1
320 1 7 ILE MD 1 71 ASP H 3.479 . 4.992 4.211 3.997 4.481 . 0 0 "[ . 1]" 1
321 1 52 ASP H 1 54 GLN H 3.413 . 4.869 4.961 4.915 5.073 0.204 3 0 "[ . 1]" 1
322 1 51 PHE H 1 54 GLN H 2.568 . 3.393 2.900 2.065 3.144 . 0 0 "[ . 1]" 1
323 1 53 GLY H 1 54 GLN H 2.585 . 3.421 3.068 2.972 3.105 . 0 0 "[ . 1]" 1
324 1 51 PHE HA 1 51 PHE QD 2.143 . 2.717 2.710 2.574 2.783 0.066 3 0 "[ . 1]" 1
325 1 51 PHE HA 1 51 PHE HB3 2.325 . 3.001 2.962 2.943 2.988 . 0 0 "[ . 1]" 1
326 1 51 PHE HA 1 51 PHE HB2 2.400 . 3.120 2.291 2.254 2.328 . 0 0 "[ . 1]" 1
327 1 53 GLY HA3 1 54 GLN H 2.873 . 3.905 3.678 3.612 3.728 . 0 0 "[ . 1]" 1
328 1 54 GLN H 1 55 PRO HD2 3.370 . 4.789 3.887 3.417 4.060 . 0 0 "[ . 1]" 1
329 1 53 GLY HA2 1 54 GLN H 2.868 . 3.896 2.719 2.622 2.833 . 0 0 "[ . 1]" 1
330 1 51 PHE HB3 1 54 GLN H 3.689 . 5.390 4.053 3.702 4.303 . 0 0 "[ . 1]" 1
331 1 54 GLN H 1 54 GLN HB3 2.587 . 3.424 3.424 3.336 3.473 0.049 6 0 "[ . 1]" 1
332 1 50 ARG HB2 1 54 GLN H 3.183 . 4.449 4.715 4.442 4.782 0.333 6 0 "[ . 1]" 1
333 1 50 ARG HG2 1 54 GLN H 3.300 . 4.661 2.426 2.143 2.756 . 0 0 "[ . 1]" 1
334 1 50 ARG HG3 1 54 GLN H 3.659 . 5.332 3.339 1.997 3.857 . 0 0 "[ . 1]" 1
335 1 71 ASP HA 1 71 ASP HB3 2.551 . 3.364 2.936 2.898 2.953 . 0 0 "[ . 1]" 1
336 1 71 ASP HA 1 71 ASP HB2 2.407 . 3.131 2.746 2.715 2.786 . 0 0 "[ . 1]" 1
337 1 50 ARG HD2 1 54 GLN H 3.121 . 4.339 2.117 1.846 2.416 0.057 9 0 "[ . 1]" 1
338 1 60 ASP HA 1 65 LEU MD1 3.111 . 4.321 4.202 4.124 4.273 . 0 0 "[ . 1]" 1
339 1 50 ARG HA 1 51 PHE H 2.303 . 2.966 2.251 2.124 2.649 . 0 0 "[ . 1]" 1
340 1 14 GLN H 1 14 GLN HG3 2.662 . 3.548 2.818 2.215 3.158 . 0 0 "[ . 1]" 1
341 1 14 GLN H 1 75 VAL HB 3.529 . 5.086 3.808 2.938 4.041 . 0 0 "[ . 1]" 1
342 1 14 GLN H 1 75 VAL MG2 3.695 . 5.402 5.005 4.431 5.422 0.020 5 0 "[ . 1]" 1
343 1 79 GLN HA 1 79 GLN HB3 2.075 . 2.613 2.454 2.248 2.898 0.285 10 0 "[ . 1]" 1
344 1 51 PHE H 1 54 GLN HB3 3.617 . 5.253 3.306 2.969 3.718 . 0 0 "[ . 1]" 1
345 1 51 PHE H 1 56 ILE HG12 2.719 . 3.643 2.789 2.454 3.675 0.032 7 0 "[ . 1]" 1
346 1 51 PHE H 1 56 ILE MD 2.929 . 4.001 3.358 2.670 4.087 0.086 7 0 "[ . 1]" 1
347 1 51 PHE H 1 51 PHE QD 3.159 . 4.407 4.025 3.926 4.249 . 0 0 "[ . 1]" 1
348 1 6 HIS HD2 1 22 LYS HA 3.241 . 4.554 4.522 4.415 4.590 0.036 10 0 "[ . 1]" 1
349 1 8 ASN HA 1 22 LYS HA 2.199 . 2.804 1.828 1.735 1.947 . 0 0 "[ . 1]" 1
350 1 22 LYS HA 1 22 LYS HG3 2.406 . 3.129 2.729 2.014 3.253 0.124 10 0 "[ . 1]" 1
351 1 22 LYS HA 1 22 LYS HG2 2.478 . 3.245 2.974 2.363 3.592 0.347 3 0 "[ . 1]" 1
352 1 20 GLN HA 1 21 PHE QD 2.866 . 3.893 3.958 3.933 3.989 0.096 2 0 "[ . 1]" 1
353 1 10 LYS H 1 10 LYS HB3 2.666 . 3.554 3.462 3.397 3.540 . 0 0 "[ . 1]" 1
354 1 10 LYS HA 1 20 GLN HA 2.053 . 2.580 2.367 2.061 2.475 . 0 0 "[ . 1]" 1
355 1 20 GLN HA 1 20 GLN HB3 2.240 . 2.867 2.453 2.388 2.632 . 0 0 "[ . 1]" 1
356 1 10 LYS H 1 72 THR HA 2.695 . 3.603 1.799 1.756 1.879 0.031 6 0 "[ . 1]" 1
357 1 10 LYS HA 1 21 PHE QD 3.357 . 4.765 4.438 4.275 4.562 . 0 0 "[ . 1]" 1
358 1 10 LYS H 1 72 THR MG 3.232 . 4.538 3.851 3.715 3.961 . 0 0 "[ . 1]" 1
359 1 10 LYS HA 1 10 LYS HB2 2.299 . 2.960 2.956 2.935 2.970 0.010 7 0 "[ . 1]" 1
360 1 10 LYS HA 1 18 VAL MG2 2.647 . 3.523 2.712 2.501 2.864 . 0 0 "[ . 1]" 1
361 1 58 GLU H 1 59 THR MG 3.479 . 4.992 4.426 4.132 4.650 . 0 0 "[ . 1]" 1
362 1 26 HIS HA 1 26 HIS HB3 2.343 . 3.029 2.523 2.428 2.749 . 0 0 "[ . 1]" 1
363 1 26 HIS HA 1 26 HIS HB2 2.519 . 3.312 3.004 2.918 3.025 . 0 0 "[ . 1]" 1
364 1 49 PHE H 1 49 PHE QE 3.433 . 4.906 4.495 4.275 4.839 . 0 0 "[ . 1]" 1
365 1 48 ARG HD3 1 49 PHE H 3.154 . 4.398 3.310 3.018 3.678 . 0 0 "[ . 1]" 1
366 1 48 ARG HD2 1 49 PHE H 3.575 . 5.173 4.782 4.246 5.126 . 0 0 "[ . 1]" 1
367 1 29 LEU MD1 1 60 ASP HA 3.065 . 4.239 4.006 3.941 4.127 . 0 0 "[ . 1]" 1
368 1 60 ASP HA 1 60 ASP HB3 2.403 . 3.125 2.655 2.601 2.692 . 0 0 "[ . 1]" 1
369 1 48 ARG HB3 1 49 PHE H 2.607 . 3.457 3.324 2.637 3.538 0.081 4 0 "[ . 1]" 1
370 1 33 MET ME 1 49 PHE H 2.747 . 3.690 2.526 2.263 2.840 . 0 0 "[ . 1]" 1
371 1 50 ARG HG3 1 51 PHE H 2.816 . 3.807 3.694 2.354 3.929 0.122 8 0 "[ . 1]" 1
372 1 10 LYS H 1 11 VAL H 3.473 . 4.981 4.254 4.211 4.323 . 0 0 "[ . 1]" 1
373 1 10 LYS H 1 73 ILE H 3.075 . 4.257 2.703 2.571 2.800 . 0 0 "[ . 1]" 1
374 1 5 ASP HA 1 24 LYS HG2 2.989 . 4.105 3.688 2.883 4.255 0.150 10 0 "[ . 1]" 1
375 1 4 ASN HA 1 5 ASP H 3.111 . 4.321 2.992 2.716 3.214 . 0 0 "[ . 1]" 1
376 1 78 GLN HA 1 80 THR MG 3.302 . 4.665 4.678 4.525 4.783 0.118 3 0 "[ . 1]" 1
377 1 35 ALA HA 1 38 GLU HG3 2.926 . 3.996 4.071 4.030 4.113 0.117 8 0 "[ . 1]" 1
378 1 35 ALA HA 1 38 GLU HB3 2.359 . 3.055 2.440 1.865 3.109 0.054 6 0 "[ . 1]" 1
379 1 57 ASN HA 1 58 GLU H 2.302 . 2.965 2.415 2.258 2.633 . 0 0 "[ . 1]" 1
380 1 58 GLU H 1 58 GLU HA 2.722 . 3.648 2.817 2.757 2.898 . 0 0 "[ . 1]" 1
381 1 57 ASN HB3 1 58 GLU H 2.762 . 3.716 2.571 2.074 3.020 . 0 0 "[ . 1]" 1
382 1 50 ARG HA 1 55 PRO HA 2.340 . 3.024 2.763 2.204 3.036 0.012 8 0 "[ . 1]" 1
383 1 58 GLU H 1 58 GLU HG3 2.676 . 3.571 3.189 2.995 3.470 . 0 0 "[ . 1]" 1
384 1 58 GLU H 1 58 GLU HB3 2.573 . 3.401 3.411 3.337 3.436 0.035 2 0 "[ . 1]" 1
385 1 50 ARG HA 1 50 ARG HB2 2.349 . 3.039 2.543 2.344 2.751 . 0 0 "[ . 1]" 1
386 1 50 ARG HA 1 50 ARG HG3 2.391 . 3.106 3.049 2.634 3.280 0.174 8 0 "[ . 1]" 1
387 1 50 ARG HA 1 56 ILE HG12 2.486 . 3.258 3.251 2.932 3.370 0.112 8 0 "[ . 1]" 1
388 1 50 ARG HA 1 56 ILE MD 2.806 . 3.790 3.632 3.092 3.926 0.136 4 0 "[ . 1]" 1
389 1 64 GLN H 1 66 GLU H 3.439 . 4.918 3.818 3.733 3.868 . 0 0 "[ . 1]" 1
390 1 51 PHE QD 1 65 LEU HA 3.228 . 4.530 4.382 4.175 4.536 0.006 9 0 "[ . 1]" 1
391 1 63 ALA HA 1 66 GLU HA 2.935 . 4.012 3.219 3.141 3.272 . 0 0 "[ . 1]" 1
392 1 51 PHE QD 1 52 ASP HA 3.285 . 4.634 4.489 4.363 4.603 . 0 0 "[ . 1]" 1
393 1 62 PRO HA 1 64 GLN H 3.665 . 5.344 4.492 4.384 4.553 . 0 0 "[ . 1]" 1
394 1 64 GLN H 1 64 GLN HA 2.468 . 3.229 2.822 2.812 2.838 . 0 0 "[ . 1]" 1
395 1 12 ALA MB 1 74 ASP HA 2.202 . 2.808 2.487 2.304 2.755 . 0 0 "[ . 1]" 1
396 1 72 THR MG 1 74 ASP HA 2.679 . 3.576 3.372 3.278 3.464 . 0 0 "[ . 1]" 1
397 1 64 GLN H 1 64 GLN HB3 2.409 . 3.135 3.080 3.061 3.094 . 0 0 "[ . 1]" 1
398 1 11 VAL MG2 1 74 ASP HA 3.226 . 4.527 3.867 3.663 4.129 . 0 0 "[ . 1]" 1
399 1 63 ALA MB 1 64 GLN H 2.394 . 3.110 2.246 2.184 2.356 . 0 0 "[ . 1]" 1
400 1 48 ARG HA 1 48 ARG HB2 2.567 . 3.390 3.013 2.986 3.022 . 0 0 "[ . 1]" 1
401 1 54 GLN HG2 1 65 LEU HA 3.108 . 4.315 4.242 3.819 4.344 0.029 1 0 "[ . 1]" 1
402 1 73 ILE MG 1 74 ASP HA 3.128 . 4.351 3.582 3.526 3.624 . 0 0 "[ . 1]" 1
403 1 4 ASN HA 1 25 ARG HG3 3.327 . 4.710 3.684 2.964 4.301 . 0 0 "[ . 1]" 1
404 1 36 TYR H 1 36 TYR HA 2.627 . 3.490 2.855 2.837 2.894 . 0 0 "[ . 1]" 1
405 1 32 LEU HA 1 36 TYR H 3.413 . 4.869 4.538 4.452 4.631 . 0 0 "[ . 1]" 1
406 1 36 TYR H 1 36 TYR HB3 2.408 . 3.133 2.562 2.471 2.645 . 0 0 "[ . 1]" 1
407 1 68 GLU HA 1 68 GLU HG3 2.499 . 3.280 2.356 2.144 3.080 . 0 0 "[ . 1]" 1
408 1 68 GLU HA 1 68 GLU HG2 2.288 . 2.942 2.730 2.060 2.938 . 0 0 "[ . 1]" 1
409 1 68 GLU HA 1 68 GLU HB3 2.201 . 2.807 2.774 2.533 2.827 0.020 7 0 "[ . 1]" 1
410 1 68 GLU HA 1 68 GLU HB2 2.304 . 2.967 2.887 2.852 3.009 0.042 1 0 "[ . 1]" 1
411 1 7 ILE MG 1 68 GLU HA 2.871 . 3.901 3.430 2.958 3.781 . 0 0 "[ . 1]" 1
412 1 7 ILE MD 1 68 GLU HA 2.521 . 3.315 2.345 2.222 2.556 . 0 0 "[ . 1]" 1
413 1 32 LEU MD2 1 36 TYR H 3.441 . 4.921 4.423 4.127 4.676 . 0 0 "[ . 1]" 1
414 1 36 TYR H 1 37 CYS HA 3.714 . 5.438 5.185 5.047 5.254 . 0 0 "[ . 1]" 1
415 1 9 LEU HA 1 9 LEU HB2 2.310 . 2.977 2.942 2.910 2.966 . 0 0 "[ . 1]" 1
416 1 7 ILE MD 1 9 LEU HA 3.342 . 4.738 4.773 4.747 4.822 0.084 3 0 "[ . 1]" 1
417 1 4 ASN H 1 4 ASN HB3 3.397 . 4.840 2.874 2.346 3.345 . 0 0 "[ . 1]" 1
418 1 4 ASN HA 1 25 ARG HB3 2.933 . 4.008 3.854 3.543 4.078 0.070 7 0 "[ . 1]" 1
419 1 36 TYR QD 1 39 ARG H 3.706 . 5.423 4.921 4.374 5.324 . 0 0 "[ . 1]" 1
420 1 8 ASN HA 1 22 LYS HG3 2.829 . 3.830 2.956 1.964 4.054 0.224 5 0 "[ . 1]" 1
421 1 8 ASN HA 1 22 LYS HG2 2.954 . 4.044 3.724 2.919 4.258 0.214 10 0 "[ . 1]" 1
422 1 50 ARG HA 1 56 ILE H 2.709 . 3.626 2.396 1.870 2.757 . 0 0 "[ . 1]" 1
423 1 54 GLN HA 1 55 PRO HD3 2.191 . 2.791 2.836 2.797 2.871 0.080 4 0 "[ . 1]" 1
424 1 54 GLN HA 1 55 PRO HD2 2.265 . 2.906 1.747 1.720 1.766 . 0 0 "[ . 1]" 1
425 1 54 GLN HA 1 54 GLN HG3 2.532 . 3.333 2.490 2.152 2.805 . 0 0 "[ . 1]" 1
426 1 54 GLN HA 1 54 GLN HB3 2.315 . 2.985 2.951 2.933 2.974 . 0 0 "[ . 1]" 1
427 1 54 GLN HA 1 54 GLN HB2 2.502 . 3.285 2.726 2.686 2.751 . 0 0 "[ . 1]" 1
428 1 54 GLN HA 1 55 PRO HG2 2.777 . 3.741 3.818 3.789 3.865 0.124 4 0 "[ . 1]" 1
429 1 50 ARG HG3 1 56 ILE H 3.307 . 4.674 3.918 2.958 4.352 . 0 0 "[ . 1]" 1
430 1 57 ASN HA 1 58 GLU HG3 3.399 . 4.844 4.767 4.555 4.864 0.020 6 0 "[ . 1]" 1
431 1 57 ASN HA 1 57 ASN HB3 2.114 . 2.673 2.624 2.411 2.741 0.068 3 0 "[ . 1]" 1
432 1 57 ASN HA 1 57 ASN HB2 2.239 . 2.866 2.949 2.909 2.984 0.118 9 0 "[ . 1]" 1
433 1 33 MET ME 1 57 ASN HA 2.659 . 3.543 3.638 3.591 3.688 0.145 3 0 "[ . 1]" 1
434 1 56 ILE MG 1 57 ASN HA 2.956 . 4.048 3.199 3.069 3.333 . 0 0 "[ . 1]" 1
435 1 31 LYS H 1 33 MET H 3.155 . 4.399 3.851 3.716 3.931 . 0 0 "[ . 1]" 1
436 1 27 THR HA 1 28 PRO HD3 2.223 . 2.841 1.889 1.851 1.979 . 0 0 "[ . 1]" 1
437 1 27 THR MG 1 28 PRO HD3 2.475 . 3.241 2.817 2.577 3.050 . 0 0 "[ . 1]" 1
438 1 31 LYS H 1 31 LYS HB3 2.290 . 2.946 2.766 2.488 2.899 . 0 0 "[ . 1]" 1
439 1 12 ALA HA 1 18 VAL HA 2.008 . 2.512 1.669 1.608 1.730 . 0 0 "[ . 1]" 1
440 1 12 ALA HA 1 18 VAL HB 2.870 . 3.900 1.894 1.813 2.087 0.027 3 0 "[ . 1]" 1
441 1 29 LEU H 1 31 LYS H 3.838 . 5.679 4.468 4.421 4.531 . 0 0 "[ . 1]" 1
442 1 31 LYS H 1 31 LYS HE3 3.761 . 5.529 4.863 3.987 5.472 . 0 0 "[ . 1]" 1
443 1 12 ALA HA 1 18 VAL MG2 2.516 . 3.307 3.187 2.946 3.346 0.039 6 0 "[ . 1]" 1
444 1 11 VAL MG2 1 12 ALA HA 3.186 . 4.455 3.845 3.760 3.948 . 0 0 "[ . 1]" 1
445 1 28 PRO HB3 1 28 PRO HD3 2.917 . 3.980 3.985 3.962 4.001 0.021 8 0 "[ . 1]" 1
446 1 39 ARG H 1 39 ARG HB3 2.269 . 2.913 2.893 1.986 3.342 0.429 6 0 "[ . 1]" 1
447 1 38 GLU HG3 1 39 ARG H 3.332 . 4.719 4.794 4.720 4.862 0.143 6 0 "[ . 1]" 1
448 1 29 LEU HA 1 33 MET H 3.642 . 5.300 4.235 4.086 4.401 . 0 0 "[ . 1]" 1
449 1 33 MET H 1 35 ALA H 3.869 . 5.741 3.963 3.817 4.062 . 0 0 "[ . 1]" 1
450 1 32 LEU HA 1 33 MET H 3.233 . 4.540 3.553 3.531 3.567 . 0 0 "[ . 1]" 1
451 1 33 MET H 1 33 MET HA 2.822 . 3.818 2.816 2.798 2.827 . 0 0 "[ . 1]" 1
452 1 33 MET H 1 44 MET ME 3.536 . 5.099 3.690 3.307 4.048 . 0 0 "[ . 1]" 1
453 1 33 MET H 1 33 MET HG3 2.606 . 3.455 1.724 1.682 1.768 0.075 7 0 "[ . 1]" 1
454 1 33 MET H 1 33 MET HB3 2.492 . 3.268 3.444 3.299 3.503 0.235 9 0 "[ . 1]" 1
455 1 32 LEU HB3 1 33 MET H 2.790 . 3.763 2.547 2.512 2.640 . 0 0 "[ . 1]" 1
456 1 32 LEU HB2 1 33 MET H 3.181 . 4.446 3.903 3.876 3.954 . 0 0 "[ . 1]" 1
457 1 33 MET H 1 33 MET HG2 2.772 . 3.732 2.830 2.258 3.359 . 0 0 "[ . 1]" 1
458 1 32 LEU MD2 1 33 MET H 3.019 . 4.158 2.596 2.401 2.759 . 0 0 "[ . 1]" 1
459 1 36 TYR H 1 38 GLU H 3.351 . 4.755 3.750 3.668 3.832 . 0 0 "[ . 1]" 1
460 1 38 GLU H 1 39 ARG H 2.442 . 3.187 2.549 2.262 2.878 . 0 0 "[ . 1]" 1
461 1 35 ALA H 1 38 GLU H 3.695 . 5.402 4.342 4.098 4.538 . 0 0 "[ . 1]" 1
462 1 36 TYR QD 1 38 GLU H 3.871 . 5.744 5.593 5.357 5.745 0.001 9 0 "[ . 1]" 1
463 1 35 ALA HA 1 38 GLU H 2.731 . 3.663 3.140 3.013 3.242 . 0 0 "[ . 1]" 1
464 1 38 GLU H 1 38 GLU HA 2.352 . 3.044 2.837 2.813 2.887 . 0 0 "[ . 1]" 1
465 1 65 LEU HA 1 65 LEU HB2 2.563 . 3.384 2.993 2.986 2.996 . 0 0 "[ . 1]" 1
466 1 37 CYS HB2 1 38 GLU H 2.678 . 3.575 3.106 2.718 3.771 0.196 9 0 "[ . 1]" 1
467 1 40 GLN HA 1 40 GLN HB2 2.366 . 3.066 3.000 2.937 3.024 . 0 0 "[ . 1]" 1
468 1 52 ASP HA 1 52 ASP HB2 2.058 . 2.587 2.594 2.567 2.601 0.014 2 0 "[ . 1]" 1
469 1 38 GLU H 1 38 GLU HB3 2.280 . 2.930 2.615 2.300 2.935 0.005 4 0 "[ . 1]" 1
470 1 40 GLN HA 1 40 GLN HB3 2.290 . 2.945 2.439 2.252 2.590 . 0 0 "[ . 1]" 1
471 1 42 LEU H 1 43 SER H 3.252 . 4.574 4.498 4.313 4.587 0.013 4 0 "[ . 1]" 1
472 1 41 GLY HA2 1 42 LEU H 2.552 . 3.366 3.068 2.862 3.268 . 0 0 "[ . 1]" 1
473 1 37 CYS HA 1 42 LEU H 2.711 . 3.630 2.554 2.106 2.783 . 0 0 "[ . 1]" 1
474 1 37 CYS HB2 1 42 LEU H 3.681 . 5.375 5.038 4.249 5.281 . 0 0 "[ . 1]" 1
475 1 12 ALA H 1 75 VAL H 3.076 . 4.258 3.231 2.855 3.615 . 0 0 "[ . 1]" 1
476 1 51 PHE QD 1 52 ASP HB3 3.085 . 4.275 3.820 3.622 4.014 . 0 0 "[ . 1]" 1
477 1 52 ASP HA 1 52 ASP HB3 2.305 . 2.969 3.013 3.008 3.020 0.051 3 0 "[ . 1]" 1
478 1 4 ASN HA 1 4 ASN HB3 2.476 . 3.242 2.746 2.536 3.017 . 0 0 "[ . 1]" 1
479 1 4 ASN HA 1 4 ASN HB2 2.485 . 3.257 2.531 2.274 2.902 . 0 0 "[ . 1]" 1
480 1 36 TYR HB3 1 36 TYR QE 3.368 . 4.786 4.359 4.334 4.380 . 0 0 "[ . 1]" 1
481 1 36 TYR HB3 1 49 PHE QE 3.419 . 4.880 2.745 2.239 3.318 . 0 0 "[ . 1]" 1
482 1 36 TYR HB3 1 49 PHE HZ 2.965 . 4.064 1.801 1.741 1.917 0.125 1 0 "[ . 1]" 1
483 1 13 GLY HA2 1 75 VAL H 3.521 . 5.070 3.596 3.387 3.879 . 0 0 "[ . 1]" 1
484 1 75 VAL H 1 75 VAL HB 2.490 . 3.265 2.566 2.450 2.708 . 0 0 "[ . 1]" 1
485 1 72 THR MG 1 75 VAL H 3.515 . 5.060 5.118 5.044 5.186 0.126 7 0 "[ . 1]" 1
486 1 73 ILE MG 1 75 VAL H 3.707 . 5.424 4.273 3.995 4.475 . 0 0 "[ . 1]" 1
487 1 75 VAL H 1 75 VAL MG1 2.729 . 3.660 3.608 3.522 3.680 0.020 10 0 "[ . 1]" 1
488 1 32 LEU MD2 1 36 TYR HB2 3.442 . 4.923 3.642 3.473 3.780 . 0 0 "[ . 1]" 1
489 1 11 VAL MG2 1 36 TYR HB2 3.341 . 4.736 3.147 2.673 3.744 . 0 0 "[ . 1]" 1
490 1 36 TYR HB2 1 49 PHE HZ 2.920 . 3.986 2.986 2.446 3.379 . 0 0 "[ . 1]" 1
491 1 36 TYR HB2 1 36 TYR QD 2.388 . 3.101 2.668 2.602 2.740 . 0 0 "[ . 1]" 1
492 1 36 TYR HB2 1 36 TYR QE 3.306 . 4.672 4.460 4.424 4.496 . 0 0 "[ . 1]" 1
493 1 69 ASP H 1 69 ASP HB3 2.060 . 2.591 2.433 2.385 2.510 . 0 0 "[ . 1]" 1
494 1 68 GLU HG3 1 69 ASP H 3.087 . 4.278 3.568 3.308 4.292 0.014 1 0 "[ . 1]" 1
495 1 68 GLU HB3 1 69 ASP H 2.380 . 3.088 1.990 1.925 2.016 . 0 0 "[ . 1]" 1
496 1 68 GLU HB2 1 69 ASP H 2.553 . 3.368 3.462 3.315 3.508 0.140 5 0 "[ . 1]" 1
497 1 7 ILE HB 1 69 ASP H 3.225 . 4.525 3.172 2.775 3.431 . 0 0 "[ . 1]" 1
498 1 7 ILE HG13 1 69 ASP H 3.490 . 5.012 4.821 4.634 5.037 0.025 9 0 "[ . 1]" 1
499 1 7 ILE MG 1 69 ASP H 2.890 . 3.934 3.860 3.559 3.981 0.047 6 0 "[ . 1]" 1
500 1 7 ILE MD 1 69 ASP H 3.021 . 4.161 3.544 3.487 3.615 . 0 0 "[ . 1]" 1
501 1 25 ARG H 1 26 HIS H 2.865 . 3.891 3.067 2.895 3.246 . 0 0 "[ . 1]" 1
502 1 6 HIS HA 1 25 ARG H 2.995 . 4.116 3.175 2.655 3.656 . 0 0 "[ . 1]" 1
503 1 24 LYS HA 1 25 ARG H 2.451 . 3.202 2.215 2.175 2.265 . 0 0 "[ . 1]" 1
504 1 25 ARG H 1 25 ARG HA 2.873 . 3.905 2.709 2.659 2.745 . 0 0 "[ . 1]" 1
505 1 6 HIS HB3 1 6 HIS HD1 3.121 . 4.338 3.600 3.162 3.801 . 0 0 "[ . 1]" 1
506 1 6 HIS HA 1 6 HIS HB3 2.732 . 3.665 2.408 2.336 2.479 . 0 0 "[ . 1]" 1
507 1 24 LYS HB3 1 25 ARG H 2.804 . 3.787 3.143 3.021 3.355 . 0 0 "[ . 1]" 1
508 1 25 ARG H 1 25 ARG HB3 2.635 . 3.503 3.544 3.527 3.555 0.052 3 0 "[ . 1]" 1
509 1 6 HIS HB2 1 24 LYS HA 3.364 . 4.779 4.278 3.312 4.939 0.160 6 0 "[ . 1]" 1
510 1 6 HIS HB2 1 22 LYS HG3 2.977 . 4.085 3.658 3.032 4.129 0.044 6 0 "[ . 1]" 1
511 1 6 HIS HB2 1 6 HIS HD2 2.928 . 4.000 3.305 2.617 3.733 . 0 0 "[ . 1]" 1
512 1 6 HIS HA 1 6 HIS HB2 2.663 . 3.550 2.866 2.506 3.028 . 0 0 "[ . 1]" 1
513 1 6 HIS HD2 1 7 ILE H 3.721 . 5.452 4.343 3.645 5.283 . 0 0 "[ . 1]" 1
514 1 7 ILE H 1 22 LYS HA 3.467 . 4.969 3.641 3.097 4.351 . 0 0 "[ . 1]" 1
515 1 6 HIS HB3 1 22 LYS HB3 3.285 . 4.634 3.940 2.393 4.737 0.103 8 0 "[ . 1]" 1
516 1 7 ILE H 1 8 ASN HA 3.859 . 5.721 4.456 4.261 4.835 . 0 0 "[ . 1]" 1
517 1 7 ILE H 1 25 ARG H 3.398 . 4.842 4.539 3.769 4.854 0.012 1 0 "[ . 1]" 1
518 1 6 HIS HA 1 7 ILE H 2.341 . 3.026 2.246 2.079 2.363 . 0 0 "[ . 1]" 1
519 1 7 ILE H 1 24 LYS HA 2.905 . 3.960 3.719 3.341 3.978 0.018 10 0 "[ . 1]" 1
520 1 6 HIS HB2 1 7 ILE H 2.784 . 3.753 3.230 2.462 3.784 0.031 9 0 "[ . 1]" 1
521 1 7 ILE H 1 7 ILE HG13 2.929 . 4.002 3.798 3.527 4.022 0.020 4 0 "[ . 1]" 1
522 1 7 ILE H 1 7 ILE HG12 2.816 . 3.807 2.821 2.307 3.120 . 0 0 "[ . 1]" 1
523 1 7 ILE H 1 7 ILE MG 2.665 . 3.553 2.762 2.516 2.900 . 0 0 "[ . 1]" 1
524 1 34 LYS HA 1 37 CYS HB3 2.810 . 3.797 3.491 2.159 3.865 0.068 4 0 "[ . 1]" 1
525 1 37 CYS HA 1 37 CYS HB3 2.528 . 3.327 2.798 2.618 3.022 . 0 0 "[ . 1]" 1
526 1 37 CYS HB3 1 42 LEU HB2 3.124 . 4.344 3.938 3.300 4.414 0.070 9 0 "[ . 1]" 1
527 1 37 CYS HA 1 37 CYS HB2 2.635 . 3.503 2.843 2.384 3.011 . 0 0 "[ . 1]" 1
528 1 6 HIS H 1 7 ILE H 3.363 . 4.777 4.466 4.384 4.507 . 0 0 "[ . 1]" 1
529 1 33 MET HA 1 49 PHE HZ 2.658 . 3.541 2.522 2.119 3.070 . 0 0 "[ . 1]" 1
530 1 6 HIS H 1 6 HIS HB3 2.596 . 3.439 3.540 3.327 3.645 0.206 6 0 "[ . 1]" 1
531 1 33 MET HA 1 49 PHE QE 2.781 . 3.748 1.990 1.763 2.686 0.051 3 0 "[ . 1]" 1
532 1 5 ASP HB3 1 6 HIS H 2.720 . 3.645 2.467 1.922 3.599 . 0 0 "[ . 1]" 1
533 1 33 MET HA 1 36 TYR HB2 3.070 . 4.248 2.732 2.466 3.057 . 0 0 "[ . 1]" 1
534 1 33 MET HA 1 44 MET ME 3.340 . 4.734 4.466 4.172 4.732 . 0 0 "[ . 1]" 1
535 1 33 MET HA 1 33 MET HG3 2.517 . 3.309 3.289 2.956 3.513 0.204 4 0 "[ . 1]" 1
536 1 37 CYS H 1 49 PHE HZ 3.347 . 4.747 3.708 3.195 4.394 . 0 0 "[ . 1]" 1
537 1 37 CYS H 1 37 CYS HA 2.653 . 3.533 2.843 2.801 2.865 . 0 0 "[ . 1]" 1
538 1 33 MET HA 1 33 MET HG2 2.512 . 3.301 3.266 3.099 3.393 0.092 2 0 "[ . 1]" 1
539 1 37 CYS H 1 37 CYS HB2 2.500 . 3.281 2.215 2.052 2.722 . 0 0 "[ . 1]" 1
540 1 9 LEU HB2 1 21 PHE HB3 3.450 . 4.938 4.228 4.029 4.506 . 0 0 "[ . 1]" 1
541 1 35 ALA MB 1 37 CYS H 3.246 . 4.563 4.410 4.264 4.583 0.020 1 0 "[ . 1]" 1
542 1 21 PHE HA 1 21 PHE HB3 2.451 . 3.202 2.505 2.442 2.551 . 0 0 "[ . 1]" 1
543 1 37 CYS H 1 39 ARG H 3.559 . 5.143 3.905 3.480 4.571 . 0 0 "[ . 1]" 1
544 1 35 ALA HA 1 37 CYS H 3.537 . 5.101 4.210 3.973 4.437 . 0 0 "[ . 1]" 1
545 1 21 PHE HA 1 21 PHE HB2 2.585 . 3.420 3.017 3.009 3.024 . 0 0 "[ . 1]" 1
546 1 21 PHE HB2 1 32 LEU MD1 2.800 . 3.780 2.155 1.902 2.526 . 0 0 "[ . 1]" 1
547 1 74 ASP HA 1 74 ASP HB3 2.173 . 2.763 2.451 2.315 2.809 0.046 7 0 "[ . 1]" 1
548 1 50 ARG HB3 1 74 ASP HB2 2.718 . 3.641 1.990 1.756 2.299 0.039 7 0 "[ . 1]" 1
549 1 50 ARG HB2 1 74 ASP HB2 2.900 . 3.951 3.599 3.147 3.957 0.006 4 0 "[ . 1]" 1
550 1 64 GLN HB3 1 65 LEU H 2.830 . 3.831 3.384 3.187 3.486 . 0 0 "[ . 1]" 1
551 1 36 TYR QD 1 39 ARG HD3 2.819 . 3.812 3.716 3.086 4.063 0.251 6 0 "[ . 1]" 1
552 1 63 ALA MB 1 65 LEU H 3.288 . 4.639 3.903 3.870 3.971 . 0 0 "[ . 1]" 1
553 1 65 LEU H 1 65 LEU MD2 2.679 . 3.576 3.561 3.467 3.588 0.012 7 0 "[ . 1]" 1
554 1 65 LEU H 1 66 GLU H 2.399 . 3.118 2.081 2.014 2.208 . 0 0 "[ . 1]" 1
555 1 62 PRO HA 1 65 LEU H 3.215 . 4.507 3.432 3.324 3.510 . 0 0 "[ . 1]" 1
556 1 50 ARG HD2 1 53 GLY HA3 3.139 . 4.371 4.450 4.198 4.521 0.150 4 0 "[ . 1]" 1
557 1 48 ARG HA 1 48 ARG HD3 2.517 . 3.309 2.027 1.951 2.163 . 0 0 "[ . 1]" 1
558 1 48 ARG HB2 1 48 ARG HD3 2.793 . 3.768 3.530 3.462 3.672 . 0 0 "[ . 1]" 1
559 1 45 ARG HA 1 45 ARG QD 2.422 . 3.155 3.065 2.762 3.227 0.072 8 0 "[ . 1]" 1
560 1 13 GLY H 1 15 ASP H 3.542 . 5.110 4.247 3.382 4.507 . 0 0 "[ . 1]" 1
561 1 45 ARG HB3 1 45 ARG QD 2.195 . 2.797 2.130 1.926 2.888 0.091 8 0 "[ . 1]" 1
562 1 15 ASP H 1 15 ASP HA 2.460 . 3.217 2.844 2.285 2.933 . 0 0 "[ . 1]" 1
563 1 14 GLN HA 1 15 ASP H 2.647 . 3.523 3.397 2.972 3.544 0.021 6 0 "[ . 1]" 1
564 1 48 ARG HA 1 48 ARG HD2 2.601 . 3.447 3.531 3.471 3.551 0.104 9 0 "[ . 1]" 1
565 1 15 ASP H 1 15 ASP HB2 2.580 . 3.412 2.630 2.120 3.548 0.136 8 0 "[ . 1]" 1
566 1 39 ARG HB2 1 39 ARG HD2 2.522 . 3.317 3.283 2.108 4.017 0.700 1 2 "[+ . - 1]" 1
567 1 14 GLN HB3 1 15 ASP H 2.993 . 4.112 3.904 3.401 4.263 0.151 8 0 "[ . 1]" 1
568 1 14 GLN HB2 1 15 ASP H 2.873 . 3.905 3.141 2.543 3.922 0.017 8 0 "[ . 1]" 1
569 1 39 ARG HA 1 39 ARG HD2 2.537 . 3.341 3.266 2.395 3.534 0.193 1 0 "[ . 1]" 1
570 1 63 ALA H 1 64 GLN H 2.673 . 3.566 2.438 2.418 2.477 . 0 0 "[ . 1]" 1
571 1 19 VAL MG1 1 39 ARG HD2 2.420 . 3.152 2.979 2.514 3.345 0.193 5 0 "[ . 1]" 1
572 1 61 THR HA 1 63 ALA H 3.273 . 4.612 4.416 4.362 4.502 . 0 0 "[ . 1]" 1
573 1 26 HIS HA 1 63 ALA H 3.210 . 4.498 4.130 3.779 4.299 . 0 0 "[ . 1]" 1
574 1 61 THR HB 1 63 ALA H 2.827 . 3.826 3.520 3.450 3.678 . 0 0 "[ . 1]" 1
575 1 62 PRO HA 1 63 ALA H 3.228 . 4.530 3.624 3.604 3.646 . 0 0 "[ . 1]" 1
576 1 63 ALA H 1 63 ALA HA 2.534 . 3.337 2.825 2.817 2.833 . 0 0 "[ . 1]" 1
577 1 48 ARG HD3 1 80 THR MG 2.596 . 3.438 3.522 3.469 3.562 0.124 1 0 "[ . 1]" 1
578 1 25 ARG HA 1 63 ALA H 3.053 . 4.218 2.980 2.746 3.142 . 0 0 "[ . 1]" 1
579 1 50 ARG HD3 1 74 ASP HB2 3.224 . 4.523 4.580 4.414 4.697 0.174 7 0 "[ . 1]" 1
580 1 31 LYS HB3 1 31 LYS HE3 3.074 . 4.255 4.093 3.603 4.254 . 0 0 "[ . 1]" 1
581 1 62 PRO HB3 1 63 ALA H 2.887 . 3.929 3.801 3.749 3.862 . 0 0 "[ . 1]" 1
582 1 67 MET HA 1 71 ASP HB3 3.300 . 4.661 4.381 3.724 4.594 . 0 0 "[ . 1]" 1
583 1 25 ARG HB2 1 63 ALA H 3.008 . 4.139 4.225 4.181 4.283 0.144 7 0 "[ . 1]" 1
584 1 76 PHE HA 1 76 PHE HB3 2.398 . 3.117 2.473 2.439 2.506 . 0 0 "[ . 1]" 1
585 1 51 PHE HB3 1 51 PHE QD 2.405 . 3.128 2.293 2.284 2.313 . 0 0 "[ . 1]" 1
586 1 13 GLY H 1 17 SER H 3.130 . 4.354 3.073 2.695 3.342 . 0 0 "[ . 1]" 1
587 1 17 SER H 1 18 VAL H 3.029 . 4.176 4.220 3.765 4.368 0.192 4 0 "[ . 1]" 1
588 1 15 ASP H 1 17 SER H 2.818 . 3.810 3.353 3.196 3.651 . 0 0 "[ . 1]" 1
589 1 76 PHE HB3 1 80 THR MG 2.737 . 3.673 3.711 3.682 3.744 0.071 2 0 "[ . 1]" 1
590 1 51 PHE HB3 1 56 ILE MD 2.536 . 3.340 2.849 2.614 3.254 . 0 0 "[ . 1]" 1
591 1 12 ALA HA 1 17 SER H 3.529 . 5.085 4.762 4.337 5.097 0.012 3 0 "[ . 1]" 1
592 1 13 GLY HA3 1 17 SER H 3.272 . 4.610 3.592 2.813 4.178 . 0 0 "[ . 1]" 1
593 1 17 SER H 1 17 SER HA 2.361 . 3.058 2.890 2.617 2.931 . 0 0 "[ . 1]" 1
594 1 56 ILE HA 1 60 ASP HB3 3.454 . 4.945 3.950 3.820 4.025 . 0 0 "[ . 1]" 1
595 1 15 ASP HB3 1 17 SER H 3.667 . 5.348 4.236 3.426 5.125 . 0 0 "[ . 1]" 1
596 1 15 ASP HB2 1 17 SER H 3.557 . 5.138 3.693 3.173 5.229 0.091 8 0 "[ . 1]" 1
597 1 17 SER H 1 18 VAL MG1 3.420 . 4.882 4.668 3.803 4.894 0.012 4 0 "[ . 1]" 1
598 1 51 PHE HB2 1 54 GLN HB3 3.061 . 4.232 3.969 3.770 4.223 . 0 0 "[ . 1]" 1
599 1 51 PHE HB2 1 56 ILE MD 2.674 . 3.567 1.942 1.729 2.328 0.052 7 0 "[ . 1]" 1
600 1 51 PHE HB2 1 51 PHE QD 2.453 . 3.205 2.590 2.537 2.656 . 0 0 "[ . 1]" 1
601 1 66 GLU HA 1 67 MET H 2.538 . 3.343 2.624 2.563 2.712 . 0 0 "[ . 1]" 1
602 1 66 GLU HB3 1 67 MET H 3.683 . 5.378 4.369 4.339 4.398 . 0 0 "[ . 1]" 1
603 1 76 PHE HA 1 76 PHE HB2 2.496 . 3.275 2.998 2.978 3.015 . 0 0 "[ . 1]" 1
604 1 67 MET H 1 67 MET HB3 2.760 . 3.712 3.563 3.478 3.619 . 0 0 "[ . 1]" 1
605 1 7 ILE MD 1 69 ASP HB3 3.206 . 4.491 4.108 4.044 4.172 . 0 0 "[ . 1]" 1
606 1 69 ASP HA 1 69 ASP HB2 2.269 . 2.913 2.303 2.283 2.359 . 0 0 "[ . 1]" 1
607 1 63 ALA HA 1 67 MET H 3.359 . 4.769 3.548 3.373 3.680 . 0 0 "[ . 1]" 1
608 1 67 MET HB2 1 71 ASP HB3 3.403 . 4.850 4.878 4.638 4.922 0.072 9 0 "[ . 1]" 1
609 1 9 LEU HA 1 70 GLU H 3.551 . 5.127 4.095 3.866 5.058 . 0 0 "[ . 1]" 1
610 1 7 ILE HG13 1 70 GLU H 3.700 . 5.411 3.643 3.344 4.562 . 0 0 "[ . 1]" 1
611 1 6 HIS HD2 1 22 LYS HE3 3.240 . 4.552 4.404 4.202 4.613 0.061 7 0 "[ . 1]" 1
612 1 69 ASP HA 1 70 GLU H 2.478 . 3.245 2.042 1.935 2.783 . 0 0 "[ . 1]" 1
613 1 70 GLU H 1 70 GLU HA 2.451 . 3.202 2.414 2.328 2.880 . 0 0 "[ . 1]" 1
614 1 70 GLU H 1 70 GLU HB3 3.482 . 4.998 4.075 3.804 4.223 . 0 0 "[ . 1]" 1
615 1 70 GLU H 1 70 GLU HB2 3.208 . 4.494 3.475 2.974 3.771 . 0 0 "[ . 1]" 1
616 1 68 GLU HB3 1 70 GLU H 3.171 . 4.428 4.506 2.941 4.775 0.347 7 0 "[ . 1]" 1
617 1 9 LEU MD1 1 70 GLU H 3.328 . 4.713 3.439 3.297 3.679 . 0 0 "[ . 1]" 1
618 1 57 ASN HB3 1 57 ASN HD21 3.075 . 4.257 3.243 2.676 3.567 . 0 0 "[ . 1]" 1
619 1 57 ASN HB2 1 57 ASN HD21 2.776 . 3.739 3.018 2.492 3.518 . 0 0 "[ . 1]" 1
620 1 57 ASN HA 1 57 ASN HD21 3.878 . 5.758 2.293 1.972 2.945 0.026 2 0 "[ . 1]" 1
621 1 15 ASP HA 1 15 ASP HB3 2.377 . 3.083 2.556 2.251 2.822 . 0 0 "[ . 1]" 1
622 1 8 ASN HA 1 8 ASN HB3 2.406 . 3.130 2.826 2.393 2.943 . 0 0 "[ . 1]" 1
623 1 57 ASN HB2 1 57 ASN HD22 2.861 . 3.884 3.820 3.586 4.043 0.159 6 0 "[ . 1]" 1
624 1 15 ASP HA 1 15 ASP HB2 2.403 . 3.125 2.928 2.707 3.017 . 0 0 "[ . 1]" 1
625 1 8 ASN HA 1 8 ASN HB2 2.334 . 3.015 2.850 2.750 3.017 0.002 8 0 "[ . 1]" 1
626 1 50 ARG HG3 1 74 ASP HB2 3.347 . 4.747 4.618 4.121 4.769 0.022 9 0 "[ . 1]" 1
627 1 29 LEU H 1 30 SER H 2.624 . 3.485 2.823 2.769 2.933 . 0 0 "[ . 1]" 1
628 1 30 SER H 1 31 LYS H 2.634 . 3.501 2.762 2.707 2.851 . 0 0 "[ . 1]" 1
629 1 28 PRO HA 1 30 SER H 3.035 . 4.186 3.550 3.506 3.584 . 0 0 "[ . 1]" 1
630 1 28 PRO HB3 1 30 SER H 2.778 . 3.743 3.468 3.348 3.597 . 0 0 "[ . 1]" 1
631 1 28 PRO HB2 1 30 SER H 2.499 . 3.280 2.720 2.639 2.812 . 0 0 "[ . 1]" 1
632 1 29 LEU HB2 1 30 SER H 2.914 . 3.976 3.253 3.220 3.283 . 0 0 "[ . 1]" 1
633 1 29 LEU HB3 1 30 SER H 3.400 . 4.845 4.042 4.003 4.076 . 0 0 "[ . 1]" 1
634 1 79 GLN HA 1 80 THR H 2.558 . 3.376 2.880 2.243 3.497 0.121 8 0 "[ . 1]" 1
635 1 79 GLN HB2 1 80 THR H 3.548 . 5.122 4.047 2.123 4.654 . 0 0 "[ . 1]" 1
636 1 80 THR H 1 80 THR HB 3.475 . 4.984 3.572 2.458 4.017 . 0 0 "[ . 1]" 1
637 1 79 GLN HB3 1 80 THR H 3.507 . 5.044 4.348 3.498 4.664 . 0 0 "[ . 1]" 1
638 1 80 THR H 1 80 THR MG 3.376 . 4.800 2.942 1.942 3.685 0.010 1 0 "[ . 1]" 1
639 1 43 SER H 1 46 GLN H 3.403 . 4.851 3.936 3.787 4.054 . 0 0 "[ . 1]" 1
640 1 45 ARG H 1 46 GLN H 2.540 . 3.347 2.012 1.871 2.368 . 0 0 "[ . 1]" 1
641 1 51 PHE QD 1 52 ASP HB2 2.927 . 3.998 3.443 3.241 3.621 . 0 0 "[ . 1]" 1
642 1 46 GLN H 1 47 ILE H 2.219 . 2.834 2.295 2.111 2.354 . 0 0 "[ . 1]" 1
643 1 46 GLN H 1 46 GLN HA 2.518 . 3.311 2.896 2.868 2.915 . 0 0 "[ . 1]" 1
644 1 50 ARG HB3 1 50 ARG HG2 2.528 . 3.327 2.730 2.339 2.855 . 0 0 "[ . 1]" 1
645 1 43 SER HB2 1 46 GLN H 3.107 . 4.314 3.678 3.465 3.914 . 0 0 "[ . 1]" 1
646 1 50 ARG HA 1 50 ARG HB3 2.671 . 3.563 2.992 2.932 3.024 . 0 0 "[ . 1]" 1
647 1 46 GLN H 1 46 GLN HB3 2.434 . 3.175 2.552 2.419 2.776 . 0 0 "[ . 1]" 1
648 1 45 ARG HB3 1 46 GLN H 3.073 . 4.253 2.836 2.478 3.149 . 0 0 "[ . 1]" 1
649 1 45 ARG HB2 1 46 GLN H 3.084 . 4.273 3.291 2.979 3.459 . 0 0 "[ . 1]" 1
650 1 46 GLN H 1 47 ILE MG 3.005 . 4.134 3.282 2.997 3.985 . 0 0 "[ . 1]" 1
651 1 44 MET H 1 46 GLN H 3.875 . 5.752 3.565 3.168 3.895 . 0 0 "[ . 1]" 1
652 1 45 ARG H 1 47 ILE H 3.204 . 4.487 3.076 2.685 3.643 . 0 0 "[ . 1]" 1
653 1 10 LYS HB3 1 72 THR HB 3.186 . 4.455 4.599 4.551 4.720 0.265 4 0 "[ . 1]" 1
654 1 10 LYS HB3 1 10 LYS HE3 2.817 . 3.809 2.442 1.990 3.632 . 0 0 "[ . 1]" 1
655 1 62 PRO HA 1 67 MET HB3 2.551 . 3.365 3.447 3.398 3.484 0.119 5 0 "[ . 1]" 1
656 1 9 LEU MD1 1 67 MET HB3 2.771 . 3.731 2.109 1.963 2.292 . 0 0 "[ . 1]" 1
657 1 9 LEU MD2 1 67 MET HB3 3.310 . 4.679 3.395 3.023 3.797 . 0 0 "[ . 1]" 1
658 1 7 ILE MD 1 67 MET HB3 2.727 . 3.657 2.267 1.924 2.748 . 0 0 "[ . 1]" 1
659 1 46 GLN HB3 1 47 ILE H 2.801 . 3.782 3.342 3.172 3.501 . 0 0 "[ . 1]" 1
660 1 67 MET HA 1 67 MET HB2 2.665 . 3.553 3.006 2.976 3.025 . 0 0 "[ . 1]" 1
661 1 47 ILE H 1 47 ILE HB 2.462 . 3.219 2.984 2.542 3.341 0.122 8 0 "[ . 1]" 1
662 1 47 ILE H 1 47 ILE MG 2.201 . 2.807 1.967 1.748 2.418 . 0 0 "[ . 1]" 1
663 1 10 LYS HB3 1 72 THR MG 2.689 . 3.593 2.576 2.056 3.049 . 0 0 "[ . 1]" 1
664 1 10 LYS HB2 1 72 THR MG 2.971 . 4.074 2.817 2.531 3.012 . 0 0 "[ . 1]" 1
665 1 10 LYS HB2 1 18 VAL MG2 2.458 . 3.213 3.213 3.111 3.329 0.116 3 0 "[ . 1]" 1
666 1 36 TYR QE 1 75 VAL HB 3.285 . 4.634 3.298 2.812 3.998 . 0 0 "[ . 1]" 1
667 1 43 SER H 1 43 SER HB3 2.452 . 3.203 2.684 2.299 3.234 0.031 9 0 "[ . 1]" 1
668 1 75 VAL HA 1 75 VAL HB 2.440 . 3.184 2.962 2.946 2.974 . 0 0 "[ . 1]" 1
669 1 13 GLY HA3 1 75 VAL HB 2.780 . 3.746 3.510 3.302 3.759 0.013 1 0 "[ . 1]" 1
670 1 13 GLY HA2 1 75 VAL HB 2.944 . 4.028 1.991 1.847 2.304 0.013 3 0 "[ . 1]" 1
671 1 42 LEU HB3 1 43 SER H 2.558 . 3.376 1.982 1.683 2.248 0.057 9 0 "[ . 1]" 1
672 1 42 LEU HB2 1 43 SER H 2.575 . 3.404 3.359 3.153 3.510 0.106 1 0 "[ . 1]" 1
673 1 43 SER H 1 47 ILE MG 3.593 . 5.207 3.144 2.093 4.510 . 0 0 "[ . 1]" 1
674 1 9 LEU MD2 1 67 MET HB2 3.365 . 4.780 3.555 3.355 3.811 . 0 0 "[ . 1]" 1
675 1 8 ASN HA 1 22 LYS HB3 3.092 . 4.287 3.434 2.327 4.443 0.156 1 0 "[ . 1]" 1
676 1 22 LYS HA 1 22 LYS HB3 2.397 . 3.115 2.841 2.729 2.953 . 0 0 "[ . 1]" 1
677 1 22 LYS HB3 1 22 LYS HE3 2.829 . 3.829 3.763 3.297 3.913 0.084 8 0 "[ . 1]" 1
678 1 22 LYS HB3 1 22 LYS HG3 2.458 . 3.213 2.935 2.903 2.977 . 0 0 "[ . 1]" 1
679 1 22 LYS HB3 1 22 LYS HG2 2.556 . 3.373 2.429 2.244 2.562 . 0 0 "[ . 1]" 1
680 1 6 HIS HB2 1 22 LYS HB2 3.266 . 4.600 4.687 4.612 4.835 0.235 6 0 "[ . 1]" 1
681 1 22 LYS HB2 1 22 LYS HE3 2.868 . 3.896 3.187 2.572 3.974 0.078 9 0 "[ . 1]" 1
682 1 22 LYS HB2 1 22 LYS HG2 2.507 . 3.293 2.936 2.888 2.988 . 0 0 "[ . 1]" 1
683 1 44 MET H 1 45 ARG H 2.814 . 3.804 2.883 2.669 3.469 . 0 0 "[ . 1]" 1
684 1 67 MET HA 1 67 MET HG2 2.490 . 3.265 2.298 2.112 2.581 . 0 0 "[ . 1]" 1
685 1 48 ARG HB2 1 80 THR MG 2.713 . 3.633 2.191 2.057 2.348 . 0 0 "[ . 1]" 1
686 1 43 SER HB3 1 45 ARG H 3.316 . 4.690 2.590 2.205 3.832 . 0 0 "[ . 1]" 1
687 1 43 SER HB2 1 45 ARG H 3.222 . 4.520 4.055 3.634 4.607 0.087 4 0 "[ . 1]" 1
688 1 45 ARG H 1 45 ARG QD 3.262 . 4.592 4.586 4.421 4.657 0.065 10 0 "[ . 1]" 1
689 1 68 GLU HB2 1 68 GLU HG3 2.385 . 3.096 2.587 2.242 2.708 . 0 0 "[ . 1]" 1
690 1 68 GLU HB2 1 68 GLU HG2 2.532 . 3.333 2.962 2.927 2.991 . 0 0 "[ . 1]" 1
691 1 48 ARG HA 1 48 ARG HB3 2.554 . 3.369 2.545 2.453 2.636 . 0 0 "[ . 1]" 1
692 1 48 ARG HB3 1 48 ARG HD2 2.727 . 3.657 2.865 2.486 3.234 . 0 0 "[ . 1]" 1
693 1 48 ARG HB3 1 48 ARG HD3 2.594 . 3.435 2.441 2.305 2.676 . 0 0 "[ . 1]" 1
694 1 63 ALA HA 1 66 GLU H 2.844 . 3.855 3.206 3.124 3.281 . 0 0 "[ . 1]" 1
695 1 66 GLU H 1 66 GLU HA 2.134 . 2.703 2.274 2.266 2.285 . 0 0 "[ . 1]" 1
696 1 66 GLU H 1 66 GLU HB3 2.972 . 4.076 4.023 3.991 4.043 . 0 0 "[ . 1]" 1
697 1 51 PHE QD 1 67 MET HG2 2.914 . 3.975 3.239 2.959 3.333 . 0 0 "[ . 1]" 1
698 1 65 LEU MD2 1 66 GLU H 3.409 . 4.861 4.424 4.403 4.449 . 0 0 "[ . 1]" 1
699 1 65 LEU MD1 1 66 GLU H 3.656 . 5.326 5.354 5.343 5.363 0.037 2 0 "[ . 1]" 1
700 1 65 LEU HB3 1 66 GLU H 2.999 . 4.123 4.199 4.169 4.213 0.090 6 0 "[ . 1]" 1
701 1 48 ARG HB2 1 48 ARG HD2 2.885 . 3.925 3.864 3.644 4.051 0.126 2 0 "[ . 1]" 1
702 1 11 VAL HB 1 21 PHE QD 2.760 . 3.712 3.442 3.301 3.556 . 0 0 "[ . 1]" 1
703 1 11 VAL HB 1 49 PHE QD 2.782 . 3.750 3.399 2.935 3.868 0.118 7 0 "[ . 1]" 1
704 1 14 GLN HE22 1 79 GLN HE21 3.741 . 5.490 4.009 2.751 5.318 . 0 0 "[ . 1]" 1
705 1 14 GLN HE22 1 76 PHE QD 3.535 . 5.097 3.276 2.366 4.510 . 0 0 "[ . 1]" 1
706 1 55 PRO HA 1 55 PRO HB2 2.478 . 3.245 2.860 2.780 2.950 . 0 0 "[ . 1]" 1
707 1 51 PHE QD 1 72 THR H 2.961 . 4.057 3.942 3.707 4.101 0.044 7 0 "[ . 1]" 1
708 1 55 PRO HB2 1 55 PRO HG3 2.353 . 3.045 2.776 2.701 2.944 . 0 0 "[ . 1]" 1
709 1 71 ASP H 1 72 THR H 3.185 . 4.453 4.451 4.347 4.506 0.053 9 0 "[ . 1]" 1
710 1 50 ARG HG3 1 55 PRO HB2 3.332 . 4.720 4.807 4.735 4.881 0.161 6 0 "[ . 1]" 1
711 1 71 ASP HA 1 72 THR H 2.159 . 2.742 2.746 2.671 2.785 0.043 8 0 "[ . 1]" 1
712 1 72 THR H 1 72 THR HB 2.374 . 3.079 2.765 2.703 2.823 . 0 0 "[ . 1]" 1
713 1 71 ASP HB3 1 72 THR H 2.895 . 3.942 2.302 2.237 2.377 . 0 0 "[ . 1]" 1
714 1 71 ASP HB2 1 72 THR H 2.699 . 3.610 3.613 3.558 3.688 0.078 7 0 "[ . 1]" 1
715 1 72 THR H 1 72 THR MG 2.882 . 3.920 3.889 3.843 3.935 0.015 6 0 "[ . 1]" 1
716 1 14 GLN HB2 1 14 GLN HE21 3.763 . 5.533 3.424 2.011 4.138 . 0 0 "[ . 1]" 1
717 1 14 GLN HA 1 14 GLN HE21 3.825 . 5.654 3.819 2.069 4.990 . 0 0 "[ . 1]" 1
718 1 24 LYS HB2 1 24 LYS HE3 3.039 . 4.193 3.147 2.362 4.428 0.235 6 0 "[ . 1]" 1
719 1 31 LYS HB2 1 31 LYS HE3 3.027 . 4.172 2.741 1.995 3.105 . 0 0 "[ . 1]" 1
720 1 39 ARG H 1 40 GLN H 2.415 . 3.144 2.772 2.387 3.032 . 0 0 "[ . 1]" 1
721 1 33 MET HG2 1 49 PHE QD 3.257 . 4.583 2.803 2.252 3.632 . 0 0 "[ . 1]" 1
722 1 40 GLN H 1 40 GLN HA 2.598 . 3.442 2.904 2.838 2.950 . 0 0 "[ . 1]" 1
723 1 33 MET HG2 1 49 PHE QE 3.315 . 4.688 3.336 2.345 4.106 . 0 0 "[ . 1]" 1
724 1 30 SER HA 1 33 MET HG2 3.262 . 4.592 3.943 3.245 4.617 0.025 10 0 "[ . 1]" 1
725 1 37 CYS HA 1 40 GLN H 3.256 . 4.581 3.599 3.343 3.935 . 0 0 "[ . 1]" 1
726 1 39 ARG HB3 1 40 GLN H 2.437 . 3.179 3.187 2.956 3.558 0.379 5 0 "[ . 1]" 1
727 1 40 GLN H 1 40 GLN HB2 2.462 . 3.220 2.587 2.256 3.199 . 0 0 "[ . 1]" 1
728 1 4 ASN HB3 1 4 ASN HD21 3.072 . 4.252 2.716 2.119 3.383 . 0 0 "[ . 1]" 1
729 1 4 ASN HB2 1 4 ASN HD21 3.080 . 4.266 3.003 2.123 3.562 . 0 0 "[ . 1]" 1
730 1 25 ARG HB3 1 63 ALA MB 2.902 . 3.955 1.800 1.747 1.857 0.102 6 0 "[ . 1]" 1
731 1 37 CYS HA 1 40 GLN HB2 3.232 . 4.538 3.674 2.705 4.562 0.024 1 0 "[ . 1]" 1
732 1 40 GLN HB2 1 42 LEU MD1 2.472 . 3.236 2.663 2.197 3.315 0.079 1 0 "[ . 1]" 1
733 1 76 PHE QD 1 79 GLN HE21 3.464 . 4.963 4.110 3.166 4.931 . 0 0 "[ . 1]" 1
734 1 78 GLN HA 1 78 GLN HB3 2.249 . 2.881 2.842 2.765 2.886 0.005 10 0 "[ . 1]" 1
735 1 77 GLN HA 1 77 GLN HB2 2.446 . 3.194 2.845 2.769 2.888 . 0 0 "[ . 1]" 1
736 1 36 TYR QD 1 39 ARG HB2 3.005 . 4.134 3.755 2.815 4.367 0.233 2 0 "[ . 1]" 1
737 1 46 GLN HE22 1 77 GLN HE22 3.534 . 5.095 4.291 3.377 5.096 0.001 2 0 "[ . 1]" 1
738 1 46 GLN HA 1 78 GLN HB2 2.862 . 3.886 3.641 3.340 3.911 0.025 3 0 "[ . 1]" 1
739 1 45 ARG HB2 1 45 ARG QD 2.402 . 3.123 3.048 2.010 3.187 0.064 9 0 "[ . 1]" 1
740 1 54 GLN HE21 1 65 LEU MD2 3.751 . 5.510 4.659 3.849 5.516 0.006 5 0 "[ . 1]" 1
741 1 25 ARG HA 1 25 ARG HB3 2.802 . 3.783 2.483 2.405 2.566 . 0 0 "[ . 1]" 1
742 1 7 ILE MD 1 25 ARG HG2 3.259 . 4.586 2.634 2.243 2.856 . 0 0 "[ . 1]" 1
743 1 25 ARG HA 1 25 ARG HG3 2.787 . 3.758 3.204 2.483 3.586 . 0 0 "[ . 1]" 1
744 1 25 ARG HG3 1 63 ALA MB 3.144 . 4.379 4.389 4.141 4.459 0.080 3 0 "[ . 1]" 1
745 1 7 ILE MD 1 25 ARG HG3 2.984 . 4.097 3.817 2.828 4.147 0.050 10 0 "[ . 1]" 1
746 1 34 LYS HD3 1 44 MET ME 2.833 . 3.836 3.778 3.619 3.869 0.033 6 0 "[ . 1]" 1
747 1 46 GLN HA 1 46 GLN HE22 3.637 . 5.290 5.319 5.306 5.353 0.063 5 0 "[ . 1]" 1
748 1 46 GLN HE22 1 46 GLN HG3 2.811 . 3.799 3.725 3.619 3.831 0.032 7 0 "[ . 1]" 1
749 1 46 GLN HB3 1 46 GLN HE22 3.671 . 5.356 3.711 3.233 4.383 . 0 0 "[ . 1]" 1
750 1 42 LEU MD2 1 46 GLN HE22 3.546 . 5.118 3.613 2.089 4.633 . 0 0 "[ . 1]" 1
751 1 80 THR HB 1 81 GLY H 3.684 . 5.381 2.782 1.964 4.145 0.023 8 0 "[ . 1]" 1
752 1 29 LEU HA 1 29 LEU HG 2.519 . 3.312 2.721 2.683 2.754 . 0 0 "[ . 1]" 1
753 1 6 HIS HD2 1 22 LYS HD3 3.217 . 4.511 3.866 2.538 4.565 0.054 9 0 "[ . 1]" 1
754 1 28 PRO HD2 1 31 LYS HD2 3.141 . 4.374 4.385 4.315 4.409 0.035 4 0 "[ . 1]" 1
755 1 10 LYS QD 1 72 THR HA 2.696 . 3.605 3.606 3.292 3.843 0.238 4 0 "[ . 1]" 1
756 1 10 LYS QD 1 70 GLU HA 2.953 . 4.043 4.132 4.059 4.260 0.217 7 0 "[ . 1]" 1
757 1 10 LYS QD 1 20 GLN HG2 3.142 . 4.376 4.135 3.635 4.356 . 0 0 "[ . 1]" 1
758 1 10 LYS HB3 1 10 LYS QD 2.337 . 3.019 2.914 2.352 3.073 0.054 10 0 "[ . 1]" 1
759 1 10 LYS QD 1 72 THR MG 3.084 . 4.273 3.910 3.516 4.110 . 0 0 "[ . 1]" 1
760 1 6 HIS HB3 1 22 LYS HD3 2.918 . 3.982 3.769 2.453 4.056 0.074 7 0 "[ . 1]" 1
761 1 6 HIS HB2 1 22 LYS HD3 2.907 . 3.963 3.458 2.009 4.070 0.107 1 0 "[ . 1]" 1
762 1 20 GLN HE21 1 20 GLN HG2 3.034 . 4.185 2.270 2.169 2.532 . 0 0 "[ . 1]" 1
763 1 20 GLN HB3 1 20 GLN HE21 3.829 . 5.662 4.102 3.245 4.310 . 0 0 "[ . 1]" 1
764 1 73 ILE MD 1 73 ILE HG13 2.111 . 2.668 2.050 2.037 2.061 . 0 0 "[ . 1]" 1
765 1 51 PHE QD 1 73 ILE HG12 3.194 . 4.469 4.211 3.703 4.504 0.035 7 0 "[ . 1]" 1
766 1 73 ILE HA 1 73 ILE HG12 2.934 . 4.010 2.914 2.814 3.000 . 0 0 "[ . 1]" 1
767 1 73 ILE HB 1 73 ILE HG12 2.804 . 3.787 2.341 2.300 2.378 . 0 0 "[ . 1]" 1
768 1 80 THR MG 1 81 GLY H 3.613 . 5.245 3.214 1.967 3.670 0.014 3 0 "[ . 1]" 1
769 1 28 PRO HD3 1 28 PRO HG3 2.399 . 3.119 2.294 2.286 2.302 . 0 0 "[ . 1]" 1
770 1 20 GLN HB3 1 20 GLN HE22 3.804 . 5.613 4.298 3.916 4.437 . 0 0 "[ . 1]" 1
771 1 18 VAL MG2 1 20 GLN HE22 3.394 . 4.834 4.875 4.856 4.920 0.086 6 0 "[ . 1]" 1
772 1 28 PRO HG3 1 61 THR MG 2.680 . 3.578 3.562 3.445 3.599 0.021 6 0 "[ . 1]" 1
773 1 55 PRO HD3 1 55 PRO HG2 2.423 . 3.157 2.969 2.870 2.997 . 0 0 "[ . 1]" 1
774 1 50 ARG HG2 1 55 PRO HA 2.839 . 3.846 2.486 1.820 3.872 0.026 4 0 "[ . 1]" 1
775 1 50 ARG HG3 1 76 PHE QD 3.370 . 4.790 3.338 2.769 4.673 . 0 0 "[ . 1]" 1
776 1 50 ARG HG3 1 55 PRO HA 2.603 . 3.450 2.200 2.035 2.492 . 0 0 "[ . 1]" 1
777 1 50 ARG HG3 1 55 PRO HB3 3.271 . 4.608 3.772 3.547 4.625 0.017 4 0 "[ . 1]" 1
778 1 50 ARG HB3 1 50 ARG HG3 2.597 . 3.440 2.846 2.711 2.991 . 0 0 "[ . 1]" 1
779 1 45 ARG HE 1 45 ARG QG 3.111 . 4.321 2.795 2.257 2.969 . 0 0 "[ . 1]" 1
780 1 60 ASP HB3 1 65 LEU HG 2.939 . 4.019 2.499 2.431 2.579 . 0 0 "[ . 1]" 1
781 1 65 LEU MD1 1 65 LEU HG 2.230 . 2.852 2.104 2.094 2.109 . 0 0 "[ . 1]" 1
782 1 61 THR MG 1 64 GLN HE21 3.704 . 5.419 4.302 4.059 4.460 . 0 0 "[ . 1]" 1
783 1 64 GLN HB3 1 65 LEU HG 2.748 . 3.692 2.922 2.886 2.967 . 0 0 "[ . 1]" 1
784 1 9 LEU HA 1 9 LEU HG 2.843 . 3.853 3.195 3.045 3.286 . 0 0 "[ . 1]" 1
785 1 21 PHE QD 1 32 LEU HG 2.355 . 3.048 2.848 2.213 3.077 0.029 9 0 "[ . 1]" 1
786 1 32 LEU HA 1 32 LEU HG 2.405 . 3.128 2.742 2.660 2.817 . 0 0 "[ . 1]" 1
787 1 21 PHE HB3 1 32 LEU HG 2.382 . 3.091 2.658 2.417 3.098 0.007 5 0 "[ . 1]" 1
788 1 21 PHE HB2 1 32 LEU HG 2.318 . 2.990 2.126 1.889 2.439 . 0 0 "[ . 1]" 1
789 1 12 ALA H 1 73 ILE HB 3.312 . 4.683 4.324 4.180 4.504 . 0 0 "[ . 1]" 1
790 1 32 LEU MD1 1 32 LEU HG 1.851 . 2.279 2.079 2.068 2.097 . 0 0 "[ . 1]" 1
791 1 11 VAL HB 1 12 ALA H 3.434 . 4.908 4.097 4.059 4.140 . 0 0 "[ . 1]" 1
792 1 12 ALA H 1 12 ALA MB 2.356 . 3.050 2.246 2.179 2.333 . 0 0 "[ . 1]" 1
793 1 12 ALA H 1 72 THR MG 2.736 . 3.672 3.150 2.886 3.449 . 0 0 "[ . 1]" 1
794 1 12 ALA H 1 75 VAL MG2 3.338 . 4.731 3.851 3.762 4.035 . 0 0 "[ . 1]" 1
795 1 11 VAL MG2 1 12 ALA H 2.628 . 3.492 2.697 2.423 3.009 . 0 0 "[ . 1]" 1
796 1 19 VAL MG2 1 39 ARG HG3 2.912 . 3.972 3.315 1.839 4.143 0.171 8 0 "[ . 1]" 1
797 1 11 VAL MG2 1 13 GLY H 3.820 . 5.644 4.463 4.285 4.809 . 0 0 "[ . 1]" 1
798 1 48 ARG HA 1 48 ARG HG3 2.764 . 3.719 3.689 3.603 3.780 0.061 8 0 "[ . 1]" 1
799 1 48 ARG HD3 1 48 ARG HG3 2.569 . 3.394 2.905 2.769 3.004 . 0 0 "[ . 1]" 1
800 1 48 ARG HD2 1 48 ARG HG3 2.492 . 3.268 2.256 2.197 2.371 . 0 0 "[ . 1]" 1
801 1 12 ALA HA 1 13 GLY H 2.078 . 2.618 2.192 2.154 2.280 . 0 0 "[ . 1]" 1
802 1 13 GLY H 1 18 VAL HA 2.787 . 3.758 2.863 2.647 3.078 . 0 0 "[ . 1]" 1
803 1 48 ARG HD3 1 48 ARG HG2 2.558 . 3.376 2.717 2.528 2.888 . 0 0 "[ . 1]" 1
804 1 48 ARG HD2 1 48 ARG HG2 2.565 . 3.388 2.907 2.765 3.009 . 0 0 "[ . 1]" 1
805 1 13 GLY H 1 13 GLY HA2 2.345 . 3.032 2.916 2.888 2.937 . 0 0 "[ . 1]" 1
806 1 12 ALA MB 1 13 GLY H 2.477 . 3.244 3.022 2.807 3.110 . 0 0 "[ . 1]" 1
807 1 23 ILE HG12 1 27 THR HB 2.744 . 3.685 2.109 1.893 2.698 . 0 0 "[ . 1]" 1
808 1 23 ILE MD 1 23 ILE HG12 2.134 . 2.703 2.113 2.094 2.122 . 0 0 "[ . 1]" 1
809 1 13 GLY H 1 75 VAL MG2 3.701 . 5.413 4.901 4.529 5.163 . 0 0 "[ . 1]" 1
810 1 41 GLY H 1 42 LEU H 2.309 . 2.975 2.138 1.911 2.506 . 0 0 "[ . 1]" 1
811 1 37 CYS HA 1 42 LEU HG 3.075 . 4.257 4.023 3.552 4.281 0.024 1 0 "[ . 1]" 1
812 1 41 GLY H 1 41 GLY HA2 2.092 . 2.639 2.462 2.286 2.819 0.180 1 0 "[ . 1]" 1
813 1 37 CYS HA 1 41 GLY H 3.699 . 5.410 3.444 2.747 4.222 . 0 0 "[ . 1]" 1
814 1 40 GLN HB3 1 41 GLY H 3.062 . 4.234 3.656 2.401 4.378 0.144 8 0 "[ . 1]" 1
815 1 40 GLN HB2 1 41 GLY H 2.771 . 3.731 2.763 1.624 3.732 0.187 1 0 "[ . 1]" 1
816 1 56 ILE HA 1 56 ILE HG12 2.723 . 3.650 2.213 2.116 2.375 . 0 0 "[ . 1]" 1
817 1 51 PHE HB3 1 56 ILE HG12 3.119 . 4.335 2.501 2.083 2.998 . 0 0 "[ . 1]" 1
818 1 40 GLN HA 1 40 GLN HE21 3.438 . 4.915 4.345 3.637 4.932 0.017 3 0 "[ . 1]" 1
819 1 7 ILE MD 1 7 ILE HG12 2.332 . 3.012 2.081 2.070 2.087 . 0 0 "[ . 1]" 1
820 1 40 GLN HB2 1 40 GLN HE21 3.378 . 4.805 3.824 1.982 4.620 . 0 0 "[ . 1]" 1
821 1 32 LEU HB2 1 32 LEU MD1 2.593 . 3.433 2.037 1.948 2.150 . 0 0 "[ . 1]" 1
822 1 21 PHE QD 1 32 LEU MD1 2.889 . 3.932 3.438 2.689 3.834 . 0 0 "[ . 1]" 1
823 1 21 PHE HB3 1 32 LEU MD1 3.303 . 4.667 2.882 2.677 3.096 . 0 0 "[ . 1]" 1
824 1 51 PHE QD 1 52 ASP H 2.737 . 3.674 1.932 1.790 2.086 0.010 10 0 "[ . 1]" 1
825 1 9 LEU MD2 1 62 PRO HA 3.055 . 4.222 3.652 3.506 3.815 . 0 0 "[ . 1]" 1
826 1 9 LEU MD2 1 62 PRO HD3 3.128 . 4.351 3.367 3.146 3.536 . 0 0 "[ . 1]" 1
827 1 51 PHE HB3 1 52 ASP H 3.325 . 4.707 3.921 3.849 4.023 . 0 0 "[ . 1]" 1
828 1 51 PHE HB2 1 52 ASP H 3.506 . 5.043 3.513 3.340 3.688 . 0 0 "[ . 1]" 1
829 1 9 LEU MD2 1 21 PHE HB2 3.077 . 4.261 4.240 4.067 4.309 0.048 1 0 "[ . 1]" 1
830 1 9 LEU MD2 1 62 PRO HG3 2.635 . 3.503 1.914 1.763 2.143 0.004 4 0 "[ . 1]" 1
831 1 9 LEU HB2 1 9 LEU MD2 2.098 . 2.648 1.992 1.937 2.099 . 0 0 "[ . 1]" 1
832 1 57 ASN HD21 1 82 GLY H 3.184 . 4.451 4.324 3.145 4.514 0.063 8 0 "[ . 1]" 1
833 1 9 LEU MD2 1 32 LEU MD2 2.639 . 3.510 3.484 3.104 3.595 0.085 7 0 "[ . 1]" 1
834 1 9 LEU MD2 1 29 LEU HA 3.167 . 4.420 4.446 4.337 4.515 0.095 1 0 "[ . 1]" 1
835 1 29 LEU MD1 1 61 THR HA 2.789 . 3.761 2.802 2.628 3.031 . 0 0 "[ . 1]" 1
836 1 29 LEU MD1 1 62 PRO HA 2.656 . 3.538 3.572 3.556 3.605 0.067 3 0 "[ . 1]" 1
837 1 29 LEU MD1 1 60 ASP HB3 2.404 . 3.126 2.351 2.194 2.444 . 0 0 "[ . 1]" 1
838 1 29 LEU MD1 1 60 ASP HB2 2.516 . 3.307 2.764 2.541 2.900 . 0 0 "[ . 1]" 1
839 1 29 LEU HB2 1 29 LEU MD1 2.034 . 2.551 2.128 2.021 2.286 . 0 0 "[ . 1]" 1
840 1 29 LEU HB3 1 29 LEU MD1 2.284 . 2.936 2.590 2.495 2.665 . 0 0 "[ . 1]" 1
841 1 61 THR H 1 64 GLN H 3.005 . 4.134 3.527 3.458 3.662 . 0 0 "[ . 1]" 1
842 1 60 ASP H 1 61 THR H 3.565 . 5.154 4.600 4.566 4.619 . 0 0 "[ . 1]" 1
843 1 48 ARG HG3 1 80 THR HB 3.366 . 4.782 3.886 1.974 4.778 . 0 0 "[ . 1]" 1
844 1 61 THR H 1 61 THR HB 3.332 . 4.720 3.820 3.796 3.852 . 0 0 "[ . 1]" 1
845 1 6 HIS HD1 1 24 LYS HG3 3.208 . 4.494 3.912 2.844 4.546 0.052 8 0 "[ . 1]" 1
846 1 61 THR H 1 62 PRO HD3 3.720 . 5.450 4.885 4.834 4.951 . 0 0 "[ . 1]" 1
847 1 60 ASP HB3 1 61 THR H 2.927 . 3.998 3.198 3.036 3.303 . 0 0 "[ . 1]" 1
848 1 10 LYS HB3 1 10 LYS HG3 2.531 . 3.332 2.980 2.938 2.995 . 0 0 "[ . 1]" 1
849 1 61 THR H 1 64 GLN HB2 2.646 . 3.521 2.045 1.985 2.160 . 0 0 "[ . 1]" 1
850 1 36 TYR QD 1 42 LEU MD1 2.559 . 3.377 2.741 2.265 3.092 . 0 0 "[ . 1]" 1
851 1 61 THR H 1 61 THR MG 2.486 . 3.258 2.373 2.281 2.540 . 0 0 "[ . 1]" 1
852 1 61 THR H 1 65 LEU MD1 3.348 . 4.749 4.005 3.917 4.059 . 0 0 "[ . 1]" 1
853 1 37 CYS HA 1 42 LEU MD1 2.458 . 3.214 2.802 2.175 3.219 0.005 6 0 "[ . 1]" 1
854 1 14 GLN H 1 16 GLY H 3.561 . 5.146 3.994 3.550 4.237 . 0 0 "[ . 1]" 1
855 1 13 GLY H 1 16 GLY H 3.522 . 5.073 3.801 3.489 4.007 . 0 0 "[ . 1]" 1
856 1 15 ASP H 1 16 GLY H 2.287 . 2.941 2.446 2.216 2.643 . 0 0 "[ . 1]" 1
857 1 42 LEU MD1 1 75 VAL MG2 3.184 . 4.451 3.624 3.175 3.987 . 0 0 "[ . 1]" 1
858 1 15 ASP HA 1 16 GLY H 2.702 . 3.615 3.281 3.232 3.334 . 0 0 "[ . 1]" 1
859 1 51 PHE QD 1 65 LEU MD1 2.582 . 3.415 3.114 2.825 3.363 . 0 0 "[ . 1]" 1
860 1 16 GLY H 1 16 GLY HA2 2.147 . 2.723 2.429 2.347 2.900 0.177 8 0 "[ . 1]" 1
861 1 15 ASP HB3 1 16 GLY H 3.345 . 4.744 4.196 3.791 4.577 . 0 0 "[ . 1]" 1
862 1 62 PRO HA 1 65 LEU MD1 2.630 . 3.495 3.435 3.341 3.555 0.060 9 0 "[ . 1]" 1
863 1 60 ASP HB3 1 65 LEU MD1 2.173 . 2.763 1.845 1.750 1.918 . 0 0 "[ . 1]" 1
864 1 14 GLN HB2 1 16 GLY H 3.613 . 5.244 4.831 3.416 5.225 . 0 0 "[ . 1]" 1
865 1 60 ASP HB2 1 65 LEU MD1 2.290 . 2.946 2.976 2.965 3.000 0.054 6 0 "[ . 1]" 1
866 1 64 GLN HB3 1 65 LEU MD1 3.096 . 4.294 4.391 4.363 4.426 0.132 7 0 "[ . 1]" 1
867 1 25 ARG HE 1 25 ARG HG2 3.700 . 5.411 2.717 2.114 3.700 . 0 0 "[ . 1]" 1
868 1 29 LEU MD1 1 56 ILE HA 3.013 . 4.148 4.029 3.559 4.151 0.003 5 0 "[ . 1]" 1
869 1 37 CYS HB3 1 42 LEU H 3.366 . 4.783 4.341 3.568 4.835 0.052 7 0 "[ . 1]" 1
870 1 34 LYS HG2 1 44 MET ME 2.708 . 3.625 2.403 1.942 2.651 . 0 0 "[ . 1]" 1
871 1 10 LYS HB3 1 10 LYS HG2 2.528 . 3.327 2.327 2.265 2.389 . 0 0 "[ . 1]" 1
872 1 6 HIS HD2 1 22 LYS HG3 3.215 . 4.507 3.662 2.403 4.759 0.252 9 0 "[ . 1]" 1
873 1 6 HIS HB2 1 22 LYS HG2 3.023 . 4.165 3.203 2.250 4.365 0.200 5 0 "[ . 1]" 1
874 1 6 HIS HD2 1 22 LYS HG2 2.838 . 3.845 3.174 2.833 3.648 . 0 0 "[ . 1]" 1
875 1 6 HIS HB3 1 22 LYS HG2 3.081 . 4.267 3.041 1.663 4.020 0.232 9 0 "[ . 1]" 1
876 1 9 LEU MD1 1 72 THR HA 3.237 . 4.546 3.903 3.660 4.153 . 0 0 "[ . 1]" 1
877 1 9 LEU HA 1 9 LEU MD1 1.914 . 2.372 1.768 1.720 1.790 . 0 0 "[ . 1]" 1
878 1 9 LEU MD1 1 69 ASP HA 2.813 . 3.802 3.796 3.538 3.876 0.074 5 0 "[ . 1]" 1
879 1 9 LEU MD1 1 70 GLU HA 3.176 . 4.437 4.422 4.298 4.586 0.149 1 0 "[ . 1]" 1
880 1 9 LEU MD1 1 71 ASP HB3 2.299 . 2.960 1.764 1.684 2.024 . 0 0 "[ . 1]" 1
881 1 9 LEU MD1 1 71 ASP HB2 2.383 . 3.093 2.420 2.249 2.504 . 0 0 "[ . 1]" 1
882 1 7 ILE MD 1 9 LEU MD1 2.085 . 2.628 2.198 2.121 2.314 . 0 0 "[ . 1]" 1
883 1 29 LEU MD2 1 61 THR HA 2.732 . 3.665 3.299 3.277 3.315 . 0 0 "[ . 1]" 1
884 1 29 LEU MD2 1 61 THR HB 3.199 . 4.478 4.606 4.587 4.622 0.144 3 0 "[ . 1]" 1
885 1 29 LEU MD2 1 62 PRO HA 2.807 . 3.792 3.527 3.454 3.642 . 0 0 "[ . 1]" 1
886 1 29 LEU MD2 1 62 PRO HG3 2.497 . 3.276 2.448 2.241 2.631 . 0 0 "[ . 1]" 1
887 1 21 PHE QD 1 32 LEU MD2 2.401 . 3.122 3.154 3.125 3.200 0.078 9 0 "[ . 1]" 1
888 1 32 LEU MD2 1 49 PHE QD 2.530 . 3.330 2.542 2.292 3.015 . 0 0 "[ . 1]" 1
889 1 32 LEU MD2 1 49 PHE QE 2.616 . 3.472 2.430 1.753 3.350 0.007 8 0 "[ . 1]" 1
890 1 29 LEU HA 1 32 LEU MD2 3.019 . 4.158 4.159 4.107 4.207 0.049 2 0 "[ . 1]" 1
891 1 32 LEU MD2 1 33 MET HA 2.183 . 2.779 2.689 2.553 2.834 0.055 7 0 "[ . 1]" 1
892 1 21 PHE HB2 1 32 LEU MD2 2.841 . 3.850 3.449 3.285 3.727 . 0 0 "[ . 1]" 1
893 1 32 LEU MD2 1 73 ILE MG 2.642 . 3.514 2.255 2.082 2.437 . 0 0 "[ . 1]" 1
894 1 32 LEU MD1 1 32 LEU MD2 1.783 . 2.180 1.995 1.950 2.031 . 0 0 "[ . 1]" 1
895 1 32 LEU MD2 1 32 LEU HG 1.910 . 2.366 2.108 2.101 2.116 . 0 0 "[ . 1]" 1
896 1 19 VAL MG1 1 20 GLN HA 3.032 . 4.181 3.918 3.796 4.117 . 0 0 "[ . 1]" 1
897 1 19 VAL HA 1 19 VAL MG1 1.976 . 2.464 2.310 2.168 2.416 . 0 0 "[ . 1]" 1
898 1 19 VAL MG1 1 39 ARG HD3 2.302 . 2.964 1.889 1.724 2.334 . 0 0 "[ . 1]" 1
899 1 19 VAL HB 1 19 VAL MG1 1.869 . 2.306 2.114 2.086 2.128 . 0 0 "[ . 1]" 1
900 1 72 THR HA 1 72 THR MG 1.923 . 2.385 2.467 2.435 2.494 0.109 1 0 "[ . 1]" 1
901 1 11 VAL HA 1 72 THR MG 2.511 . 3.299 3.360 3.336 3.376 0.077 6 0 "[ . 1]" 1
902 1 72 THR HB 1 72 THR MG 1.760 . 2.147 2.084 2.076 2.119 . 0 0 "[ . 1]" 1
903 1 10 LYS HE3 1 72 THR MG 2.839 . 3.846 3.168 2.632 3.918 0.072 4 0 "[ . 1]" 1
904 1 64 GLN HA 1 65 LEU MD2 3.208 . 4.494 4.519 4.498 4.534 0.040 10 0 "[ . 1]" 1
905 1 54 GLN HG2 1 65 LEU MD2 2.269 . 2.913 2.718 2.234 2.927 0.014 5 0 "[ . 1]" 1
906 1 64 GLN HB3 1 65 LEU MD2 2.873 . 3.905 3.270 3.161 3.333 . 0 0 "[ . 1]" 1
907 1 51 PHE QD 1 65 LEU MD2 2.568 . 3.393 3.005 2.806 3.234 . 0 0 "[ . 1]" 1
908 1 65 LEU HA 1 65 LEU MD2 1.807 . 2.215 1.872 1.857 1.888 . 0 0 "[ . 1]" 1
909 1 60 ASP HB3 1 65 LEU MD2 2.610 . 3.461 2.639 2.544 2.732 . 0 0 "[ . 1]" 1
910 1 65 LEU MD2 1 65 LEU HG 1.822 . 2.237 2.117 2.113 2.120 . 0 0 "[ . 1]" 1
911 1 65 LEU HB2 1 65 LEU MD2 2.325 . 3.001 3.158 3.153 3.160 0.159 5 0 "[ . 1]" 1
912 1 29 LEU MD1 1 65 LEU MD2 2.736 . 3.672 3.576 3.521 3.659 . 0 0 "[ . 1]" 1
913 1 42 LEU HA 1 42 LEU MD2 1.935 . 2.403 2.402 2.283 2.447 0.044 1 0 "[ . 1]" 1
914 1 42 LEU MD2 1 42 LEU HG 1.834 . 2.254 2.100 2.087 2.127 . 0 0 "[ . 1]" 1
915 1 11 VAL MG1 1 19 VAL MG2 2.841 . 3.850 2.682 2.551 2.798 . 0 0 "[ . 1]" 1
916 1 11 VAL MG2 1 49 PHE HZ 2.568 . 3.392 3.355 3.119 3.489 0.097 9 0 "[ . 1]" 1
917 1 11 VAL MG2 1 49 PHE QE 2.425 . 3.160 2.306 1.762 2.948 . 0 0 "[ . 1]" 1
918 1 11 VAL MG2 1 36 TYR QE 2.337 . 3.020 2.999 2.819 3.098 0.078 9 0 "[ . 1]" 1
919 1 11 VAL HA 1 11 VAL MG2 2.011 . 2.517 2.483 2.438 2.570 0.053 9 0 "[ . 1]" 1
920 1 11 VAL MG2 1 36 TYR HB3 3.059 . 4.229 3.662 3.104 4.253 0.024 7 0 "[ . 1]" 1
921 1 11 VAL HB 1 11 VAL MG2 1.957 . 2.436 2.072 2.047 2.105 . 0 0 "[ . 1]" 1
922 1 11 VAL MG2 1 73 ILE HB 2.547 . 3.358 3.530 3.471 3.581 0.223 9 0 "[ . 1]" 1
923 1 11 VAL MG2 1 75 VAL HB 2.533 . 3.335 2.743 2.471 2.887 . 0 0 "[ . 1]" 1
924 1 11 VAL MG2 1 75 VAL MG2 1.922 . 2.384 1.607 1.567 1.636 . 0 0 "[ . 1]" 1
925 1 27 THR HB 1 27 THR MG 1.894 . 2.342 2.116 2.083 2.131 . 0 0 "[ . 1]" 1
926 1 27 THR MG 1 28 PRO HD2 2.154 . 2.734 1.879 1.803 1.951 . 0 0 "[ . 1]" 1
927 1 27 THR MG 1 31 LYS HE3 2.647 . 3.523 3.518 3.305 3.579 0.056 4 0 "[ . 1]" 1
928 1 12 ALA MB 1 18 VAL HB 2.167 . 2.754 1.932 1.832 2.036 . 0 0 "[ . 1]" 1
929 1 59 THR HB 1 59 THR MG 1.756 . 2.142 2.076 2.073 2.080 . 0 0 "[ . 1]" 1
930 1 11 VAL MG2 1 19 VAL MG2 2.778 . 3.742 3.776 3.753 3.803 0.061 4 0 "[ . 1]" 1
931 1 18 VAL MG2 1 19 VAL HA 2.603 . 3.450 3.118 3.070 3.175 . 0 0 "[ . 1]" 1
932 1 18 VAL HB 1 18 VAL MG2 1.747 . 2.128 2.114 2.109 2.122 . 0 0 "[ . 1]" 1
933 1 11 VAL MG1 1 21 PHE QD 2.021 . 2.532 1.858 1.782 1.911 . 0 0 "[ . 1]" 1
934 1 11 VAL MG1 1 36 TYR QD 2.400 . 3.120 2.362 2.280 2.443 . 0 0 "[ . 1]" 1
935 1 11 VAL MG1 1 49 PHE QE 2.850 . 3.865 3.166 2.929 3.502 . 0 0 "[ . 1]" 1
936 1 11 VAL MG1 1 36 TYR QE 2.752 . 3.699 3.023 2.736 3.338 . 0 0 "[ . 1]" 1
937 1 11 VAL MG1 1 36 TYR HB3 2.969 . 4.071 3.797 3.419 4.094 0.023 7 0 "[ . 1]" 1
938 1 11 VAL MG1 1 21 PHE HB2 2.905 . 3.960 3.727 3.576 3.894 . 0 0 "[ . 1]" 1
939 1 11 VAL HB 1 11 VAL MG1 1.937 . 2.406 2.075 2.053 2.093 . 0 0 "[ . 1]" 1
940 1 11 VAL MG1 1 32 LEU MD2 2.083 . 2.625 2.726 2.692 2.776 0.151 2 0 "[ . 1]" 1
941 1 11 VAL MG1 1 11 VAL MG2 1.782 . 2.179 1.979 1.894 2.092 . 0 0 "[ . 1]" 1
942 1 36 TYR QE 1 75 VAL MG1 2.272 . 2.917 1.926 1.609 2.602 0.018 5 0 "[ . 1]" 1
943 1 13 GLY HA3 1 75 VAL MG1 2.799 . 3.778 3.238 3.100 3.387 . 0 0 "[ . 1]" 1
944 1 13 GLY HA2 1 75 VAL MG1 2.852 . 3.869 2.064 1.917 2.322 . 0 0 "[ . 1]" 1
945 1 14 GLN HG3 1 75 VAL MG1 2.849 . 3.864 2.933 2.606 3.306 . 0 0 "[ . 1]" 1
946 1 14 GLN HB2 1 75 VAL MG1 2.846 . 3.859 3.931 3.906 3.953 0.094 5 0 "[ . 1]" 1
947 1 75 VAL HB 1 75 VAL MG1 2.016 . 2.524 2.142 2.134 2.149 . 0 0 "[ . 1]" 1
948 1 49 PHE HZ 1 75 VAL MG2 2.814 . 3.804 3.246 2.932 3.423 . 0 0 "[ . 1]" 1
949 1 49 PHE QE 1 75 VAL MG2 2.380 . 3.088 2.484 1.911 2.927 . 0 0 "[ . 1]" 1
950 1 36 TYR QE 1 75 VAL MG2 2.240 . 2.867 2.137 1.970 2.282 . 0 0 "[ . 1]" 1
951 1 49 PHE HA 1 75 VAL MG2 2.455 . 3.208 2.699 2.327 2.954 . 0 0 "[ . 1]" 1
952 1 75 VAL HA 1 75 VAL MG2 2.199 . 2.803 2.123 2.089 2.159 . 0 0 "[ . 1]" 1
953 1 13 GLY HA2 1 75 VAL MG2 2.827 . 3.826 3.504 3.284 3.687 . 0 0 "[ . 1]" 1
954 1 11 VAL HB 1 75 VAL MG2 2.754 . 3.702 3.665 3.554 3.757 0.055 3 0 "[ . 1]" 1
955 1 75 VAL HB 1 75 VAL MG2 2.013 . 2.519 2.105 2.087 2.127 . 0 0 "[ . 1]" 1
956 1 73 ILE MG 1 75 VAL MG2 2.586 . 3.422 2.705 2.530 2.956 . 0 0 "[ . 1]" 1
957 1 47 ILE MD 1 75 VAL MG2 2.184 . 2.780 2.119 1.601 2.860 0.080 7 0 "[ . 1]" 1
958 1 19 VAL MG2 1 36 TYR QD 2.319 . 2.991 2.137 1.813 2.324 . 0 0 "[ . 1]" 1
959 1 19 VAL MG2 1 36 TYR QE 2.060 . 2.591 1.764 1.645 1.895 . 0 0 "[ . 1]" 1
960 1 18 VAL HA 1 19 VAL MG2 2.832 . 3.835 3.147 3.002 3.353 . 0 0 "[ . 1]" 1
961 1 19 VAL MG2 1 36 TYR HA 3.021 . 4.161 3.649 2.955 3.928 . 0 0 "[ . 1]" 1
962 1 19 VAL MG2 1 39 ARG HD3 2.521 . 3.316 2.874 1.867 3.460 0.144 5 0 "[ . 1]" 1
963 1 19 VAL HB 1 19 VAL MG2 1.896 . 2.345 2.115 2.107 2.123 . 0 0 "[ . 1]" 1
964 1 19 VAL MG1 1 19 VAL MG2 1.727 . 2.100 2.067 2.039 2.093 . 0 0 "[ . 1]" 1
965 1 61 THR HA 1 61 THR MG 2.106 . 2.660 2.655 2.627 2.672 0.012 7 0 "[ . 1]" 1
966 1 26 HIS HB3 1 61 THR MG 3.021 . 4.161 4.237 4.188 4.292 0.131 9 0 "[ . 1]" 1
967 1 18 VAL HB 1 18 VAL MG1 1.762 . 2.150 2.095 2.073 2.111 . 0 0 "[ . 1]" 1
968 1 12 ALA HA 1 12 ALA MB 1.821 . 2.235 2.084 2.074 2.105 . 0 0 "[ . 1]" 1
969 1 12 ALA MB 1 18 VAL MG1 2.103 . 2.656 2.738 2.729 2.767 0.111 3 0 "[ . 1]" 1
970 1 11 VAL MG2 1 12 ALA MB 3.056 . 4.223 4.091 3.975 4.215 . 0 0 "[ . 1]" 1
971 1 18 VAL MG1 1 18 VAL MG2 2.385 . 3.096 2.053 2.037 2.090 . 0 0 "[ . 1]" 1
972 1 56 ILE MG 1 60 ASP HB2 2.654 . 3.535 2.637 2.357 3.038 . 0 0 "[ . 1]" 1
973 1 49 PHE QD 1 56 ILE MG 3.224 . 4.523 3.753 3.293 4.081 . 0 0 "[ . 1]" 1
974 1 56 ILE HA 1 56 ILE MG 2.149 . 2.726 2.514 2.413 2.580 . 0 0 "[ . 1]" 1
975 1 49 PHE HB3 1 56 ILE MG 2.321 . 2.994 3.122 3.035 3.224 0.230 9 0 "[ . 1]" 1
976 1 56 ILE HB 1 56 ILE MG 1.928 . 2.393 2.103 2.087 2.116 . 0 0 "[ . 1]" 1
977 1 47 ILE HG13 1 49 PHE QD 2.595 . 3.437 3.730 3.499 3.882 0.445 6 0 "[ . 1]" 1
978 1 47 ILE HG13 1 49 PHE QE 2.645 . 3.520 2.379 2.171 2.776 . 0 0 "[ . 1]" 1
979 1 44 MET HA 1 47 ILE HG13 2.703 . 3.616 3.855 3.732 4.014 0.398 7 0 "[ . 1]" 1
980 1 47 ILE HG12 1 77 GLN HG3 2.210 . 2.820 2.264 1.938 3.276 0.456 9 0 "[ . 1]" 1
981 1 47 ILE HG13 1 47 ILE MG 2.057 . 2.586 2.319 2.169 2.773 0.187 9 0 "[ . 1]" 1
982 1 47 ILE HG12 1 75 VAL MG1 2.415 . 3.144 2.705 2.491 3.384 0.240 9 0 "[ . 1]" 1
983 1 21 PHE QD 1 35 ALA MB 2.248 . 2.880 2.630 2.363 2.914 0.034 4 0 "[ . 1]" 1
984 1 35 ALA HA 1 35 ALA MB 1.792 . 2.193 2.133 2.122 2.140 . 0 0 "[ . 1]" 1
985 1 32 LEU HA 1 35 ALA MB 2.244 . 2.874 2.939 2.783 2.994 0.120 8 0 "[ . 1]" 1
986 1 26 HIS HA 1 63 ALA MB 2.737 . 3.673 3.078 2.757 3.317 . 0 0 "[ . 1]" 1
987 1 61 THR HB 1 63 ALA MB 2.956 . 4.049 4.089 4.048 4.108 0.059 1 0 "[ . 1]" 1
988 1 63 ALA HA 1 63 ALA MB 1.874 . 2.313 2.122 2.105 2.135 . 0 0 "[ . 1]" 1
989 1 25 ARG HA 1 63 ALA MB 3.100 . 4.302 3.594 3.354 3.863 . 0 0 "[ . 1]" 1
990 1 63 ALA MB 1 64 GLN HB3 3.149 . 4.389 4.750 4.723 4.805 0.416 8 0 "[ . 1]" 1
991 1 62 PRO HB2 1 63 ALA MB 3.371 . 4.791 3.694 3.636 3.765 . 0 0 "[ . 1]" 1
992 1 25 ARG HB2 1 63 ALA MB 2.330 . 3.009 2.985 2.790 3.087 0.078 6 0 "[ . 1]" 1
993 1 49 PHE QD 1 73 ILE MG 2.096 . 2.645 1.788 1.672 2.004 . 0 0 "[ . 1]" 1
994 1 49 PHE QE 1 73 ILE MG 2.682 . 3.581 3.208 2.949 3.319 . 0 0 "[ . 1]" 1
995 1 11 VAL HA 1 73 ILE MG 2.666 . 3.554 2.341 2.075 2.489 . 0 0 "[ . 1]" 1
996 1 73 ILE MG 1 75 VAL HA 3.032 . 4.181 3.857 3.644 4.023 . 0 0 "[ . 1]" 1
997 1 49 PHE HB3 1 73 ILE MG 2.458 . 3.213 2.084 1.888 2.234 . 0 0 "[ . 1]" 1
998 1 49 PHE HB2 1 73 ILE MG 2.405 . 3.128 3.338 3.178 3.439 0.311 6 0 "[ . 1]" 1
999 1 73 ILE HB 1 73 ILE MG 2.052 . 2.578 2.140 2.126 2.150 . 0 0 "[ . 1]" 1
1000 1 73 ILE HG13 1 73 ILE MG 2.381 . 3.089 2.109 2.060 2.202 . 0 0 "[ . 1]" 1
1001 1 11 VAL MG2 1 73 ILE MG 2.405 . 3.128 1.857 1.816 1.961 . 0 0 "[ . 1]" 1
1002 1 32 LEU MD2 1 33 MET ME 3.141 . 4.374 4.009 3.620 4.398 0.024 9 0 "[ . 1]" 1
1003 1 63 ALA MB 1 66 GLU HA 3.225 . 4.525 4.647 4.623 4.676 0.151 7 0 "[ . 1]" 1
1004 1 33 MET ME 1 49 PHE QD 2.394 . 3.110 2.647 2.428 2.810 . 0 0 "[ . 1]" 1
1005 1 33 MET ME 1 49 PHE QE 2.818 . 3.810 3.842 3.821 3.872 0.062 9 0 "[ . 1]" 1
1006 1 33 MET ME 1 49 PHE HA 3.135 . 4.363 4.190 3.956 4.372 0.009 3 0 "[ . 1]" 1
1007 1 33 MET ME 1 56 ILE HA 3.319 . 4.696 4.677 4.432 4.756 0.060 3 0 "[ . 1]" 1
1008 1 33 MET ME 1 58 GLU HA 2.238 . 2.864 2.739 2.593 2.885 0.021 2 0 "[ . 1]" 1
1009 1 33 MET ME 1 49 PHE HB3 2.444 . 3.191 3.248 3.211 3.283 0.092 8 0 "[ . 1]" 1
1010 1 33 MET ME 1 49 PHE HB2 2.632 . 3.498 1.849 1.732 1.975 0.034 9 0 "[ . 1]" 1
1011 1 33 MET ME 1 58 GLU HG3 2.617 . 3.473 3.443 3.270 3.491 0.018 7 0 "[ . 1]" 1
1012 1 33 MET ME 1 44 MET ME 2.522 . 3.317 3.158 2.542 3.433 0.116 3 0 "[ . 1]" 1
1013 1 33 MET ME 1 33 MET HG3 2.540 . 3.346 3.174 2.950 3.288 . 0 0 "[ . 1]" 1
1014 1 29 LEU HB3 1 33 MET ME 2.656 . 3.538 3.401 3.011 3.631 0.093 9 0 "[ . 1]" 1
1015 1 33 MET ME 1 56 ILE MG 2.076 . 2.615 1.774 1.664 1.852 . 0 0 "[ . 1]" 1
1016 1 33 MET ME 1 33 MET HG2 2.425 . 3.160 2.207 2.120 2.272 . 0 0 "[ . 1]" 1
1017 1 22 LYS HA 1 23 ILE MG 3.125 . 4.346 3.129 2.882 3.446 . 0 0 "[ . 1]" 1
1018 1 21 PHE HB2 1 23 ILE MG 2.811 . 3.799 3.729 3.370 3.865 0.066 7 0 "[ . 1]" 1
1019 1 23 ILE MG 1 32 LEU MD2 3.056 . 4.223 4.026 3.824 4.246 0.023 4 0 "[ . 1]" 1
1020 1 21 PHE HB3 1 23 ILE MG 2.719 . 3.643 3.279 2.672 3.696 0.053 6 0 "[ . 1]" 1
1021 1 23 ILE HB 1 23 ILE MG 2.047 . 2.571 2.111 2.084 2.123 . 0 0 "[ . 1]" 1
1022 1 23 ILE MG 1 29 LEU HA 3.333 . 4.721 3.696 3.345 4.118 . 0 0 "[ . 1]" 1
1023 1 7 ILE HA 1 7 ILE MG 2.379 . 3.086 2.596 2.476 2.710 . 0 0 "[ . 1]" 1
1024 1 7 ILE MG 1 25 ARG HA 2.805 . 3.789 3.741 3.524 3.872 0.083 2 0 "[ . 1]" 1
1025 1 7 ILE MG 1 69 ASP HB3 2.496 . 3.275 3.042 2.665 3.177 . 0 0 "[ . 1]" 1
1026 1 7 ILE HB 1 7 ILE MG 2.096 . 2.645 2.098 2.069 2.109 . 0 0 "[ . 1]" 1
1027 1 7 ILE MG 1 25 ARG HG2 2.258 . 2.895 2.254 1.955 2.906 0.011 9 0 "[ . 1]" 1
1028 1 7 ILE MG 1 25 ARG HG3 2.343 . 3.029 2.490 1.923 2.870 . 0 0 "[ . 1]" 1
1029 1 51 PHE QD 1 56 ILE MD 2.806 . 3.790 3.769 3.663 3.882 0.092 9 0 "[ . 1]" 1
1030 1 49 PHE QD 1 56 ILE MD 2.688 . 3.591 3.547 3.372 3.686 0.095 10 0 "[ . 1]" 1
1031 1 51 PHE HA 1 56 ILE MD 2.638 . 3.508 2.976 2.356 3.353 . 0 0 "[ . 1]" 1
1032 1 49 PHE HB3 1 56 ILE MD 2.331 . 3.010 2.625 1.913 3.060 0.050 8 0 "[ . 1]" 1
1033 1 49 PHE HB2 1 56 ILE MD 2.443 . 3.189 2.918 2.111 3.240 0.051 4 0 "[ . 1]" 1
1034 1 56 ILE HB 1 56 ILE MD 2.134 . 2.703 2.776 2.540 2.917 0.214 3 0 "[ . 1]" 1
1035 1 47 ILE MD 1 49 PHE HZ 2.414 . 3.143 3.337 3.170 3.451 0.308 2 0 "[ . 1]" 1
1036 1 36 TYR QD 1 47 ILE MD 2.339 . 3.023 2.971 2.645 3.149 0.126 2 0 "[ . 1]" 1
1037 1 47 ILE MD 1 49 PHE QE 2.550 . 3.363 2.027 1.719 3.367 0.018 7 0 "[ . 1]" 1
1038 1 23 ILE MD 1 29 LEU HA 2.381 . 3.090 2.249 1.990 2.652 . 0 0 "[ . 1]" 1
1039 1 23 ILE MD 1 32 LEU HA 2.930 . 4.003 4.052 4.006 4.122 0.119 5 0 "[ . 1]" 1
1040 1 51 PHE QD 1 73 ILE MD 3.077 . 4.261 2.357 2.027 2.638 . 0 0 "[ . 1]" 1
1041 1 49 PHE QD 1 73 ILE MD 2.784 . 3.753 3.901 3.822 4.028 0.275 9 0 "[ . 1]" 1
1042 1 73 ILE HA 1 73 ILE MD 2.842 . 3.852 1.786 1.768 1.815 0.064 3 0 "[ . 1]" 1
1043 1 49 PHE HB2 1 73 ILE MD 3.134 . 4.362 4.330 4.155 4.431 0.069 4 0 "[ . 1]" 1
1044 1 9 LEU HG 1 73 ILE MD 2.506 . 3.291 3.008 2.895 3.115 . 0 0 "[ . 1]" 1
1045 1 7 ILE MD 1 25 ARG HA 2.865 . 3.891 3.532 2.948 3.901 0.010 8 0 "[ . 1]" 1
1046 1 7 ILE MD 1 62 PRO HB3 2.373 . 3.077 1.819 1.748 1.889 . 0 0 "[ . 1]" 1
1047 1 7 ILE HB 1 7 ILE MD 2.197 . 2.800 2.360 2.233 2.457 . 0 0 "[ . 1]" 1
1048 1 7 ILE MD 1 7 ILE HG13 2.065 . 2.598 2.080 2.070 2.089 . 0 0 "[ . 1]" 1
1049 1 7 ILE MD 1 71 ASP HB3 3.166 . 4.419 4.018 3.741 4.476 0.057 1 0 "[ . 1]" 1
1050 1 9 LEU HA 1 9 LEU HB3 2.623 . 3.483 2.692 2.649 2.743 . 0 0 "[ . 1]" 1
1051 1 9 LEU HB3 1 9 LEU MD2 2.384 . 3.094 2.865 2.756 2.936 . 0 0 "[ . 1]" 1
1052 1 9 LEU HB3 1 32 LEU HG 2.903 . 3.956 4.153 4.096 4.213 0.257 5 0 "[ . 1]" 1
1053 1 9 LEU HB2 1 32 LEU HG 3.077 . 4.261 3.767 3.524 3.987 . 0 0 "[ . 1]" 1
1054 1 42 LEU HA 1 42 LEU HB3 2.660 . 3.544 2.580 2.497 2.673 . 0 0 "[ . 1]" 1
1055 1 42 LEU HB3 1 47 ILE MD 3.131 . 4.356 4.463 4.125 4.592 0.236 1 0 "[ . 1]" 1
1056 1 42 LEU HA 1 42 LEU HB2 2.786 . 3.756 3.003 2.968 3.013 . 0 0 "[ . 1]" 1
1057 1 23 ILE HB 1 23 ILE MD 2.289 . 2.944 2.730 2.475 3.003 0.059 2 0 "[ . 1]" 1
1058 1 51 PHE QD 1 65 LEU HB3 2.958 . 4.052 3.159 2.893 3.270 . 0 0 "[ . 1]" 1
1059 1 65 LEU HA 1 65 LEU HB3 2.535 . 3.338 2.569 2.555 2.588 . 0 0 "[ . 1]" 1
1060 1 65 LEU HB3 1 67 MET HG3 2.900 . 3.952 2.310 2.096 2.497 . 0 0 "[ . 1]" 1
1061 1 7 ILE HB 1 69 ASP HB3 2.805 . 3.789 2.528 2.192 2.766 . 0 0 "[ . 1]" 1
1062 1 51 PHE QD 1 65 LEU HB2 3.324 . 4.705 4.665 4.473 4.735 0.030 5 0 "[ . 1]" 1
1063 1 65 LEU HB2 1 67 MET HG3 2.844 . 3.855 2.093 1.953 2.193 . 0 0 "[ . 1]" 1
1064 1 32 LEU HA 1 32 LEU HB3 2.604 . 3.452 3.009 2.997 3.020 . 0 0 "[ . 1]" 1
1065 1 32 LEU HB3 1 32 LEU HG 2.627 . 3.489 2.984 2.955 3.004 . 0 0 "[ . 1]" 1
1066 1 32 LEU HB3 1 32 LEU MD2 2.621 . 3.480 2.188 2.141 2.227 . 0 0 "[ . 1]" 1
1067 1 32 LEU HA 1 32 LEU HB2 2.450 . 3.201 2.392 2.361 2.422 . 0 0 "[ . 1]" 1
1068 1 32 LEU HB2 1 32 LEU HG 2.489 . 3.263 2.676 2.620 2.731 . 0 0 "[ . 1]" 1
1069 1 32 LEU HB2 1 32 LEU MD2 2.692 . 3.598 3.113 3.071 3.147 . 0 0 "[ . 1]" 1
1070 1 29 LEU HA 1 29 LEU HB2 2.650 . 3.528 3.013 3.007 3.021 . 0 0 "[ . 1]" 1
1071 1 47 ILE HB 1 77 GLN HA 2.860 . 3.883 3.700 3.318 4.048 0.165 4 0 "[ . 1]" 1
1072 1 47 ILE HB 1 77 GLN HG3 3.096 . 4.294 2.437 1.769 3.300 0.129 9 0 "[ . 1]" 1
1073 1 29 LEU HA 1 29 LEU HB3 2.584 . 3.419 2.521 2.502 2.548 . 0 0 "[ . 1]" 1
1074 1 29 LEU HB3 1 56 ILE MG 2.968 . 4.069 3.248 2.787 3.687 . 0 0 "[ . 1]" 1
1075 1 73 ILE HB 1 73 ILE HG13 2.545 . 3.355 2.499 2.460 2.545 . 0 0 "[ . 1]" 1
1076 1 73 ILE HB 1 73 ILE MD 2.287 . 2.941 3.140 3.124 3.151 0.210 8 0 "[ . 1]" 1
1077 1 47 ILE HB 1 47 ILE MG 2.179 . 2.772 2.078 2.034 2.109 . 0 0 "[ . 1]" 1
1078 1 9 LEU HB2 1 73 ILE HB 2.865 . 3.891 4.303 4.259 4.322 0.431 8 0 "[ . 1]" 1
1079 1 49 PHE HB3 1 56 ILE HB 2.704 . 3.618 3.390 3.139 3.639 0.021 1 0 "[ . 1]" 1
1080 1 49 PHE HB2 1 56 ILE HB 2.886 . 3.927 2.771 2.380 3.108 . 0 0 "[ . 1]" 1
1081 1 56 ILE HB 1 56 ILE HG13 2.619 . 3.476 2.228 2.180 2.300 . 0 0 "[ . 1]" 1
1082 1 36 TYR QD 1 39 ARG HG3 2.959 . 4.053 3.045 1.852 3.704 0.013 6 0 "[ . 1]" 1
1083 1 9 LEU HB2 1 73 ILE HG12 2.669 . 3.559 3.585 3.537 3.610 0.051 7 0 "[ . 1]" 1
1084 1 34 LYS HG3 1 44 MET ME 2.905 . 3.960 3.568 3.217 3.990 0.030 6 0 "[ . 1]" 1
1085 1 29 LEU MD2 1 32 LEU MD2 2.316 . 2.987 2.574 2.540 2.634 . 0 0 "[ . 1]" 1
1086 1 27 THR HA 1 61 THR MG 2.931 . 4.005 3.441 3.305 3.563 . 0 0 "[ . 1]" 1
1087 1 37 CYS HA 1 42 LEU HB2 2.736 . 3.672 2.056 1.789 2.293 0.011 9 0 "[ . 1]" 1
1088 1 29 LEU HA 1 32 LEU HB3 3.139 . 4.371 2.784 2.702 2.887 . 0 0 "[ . 1]" 1
1089 1 58 GLU HA 1 58 GLU HG3 2.494 . 3.271 2.656 2.512 2.748 . 0 0 "[ . 1]" 1
1090 1 58 GLU HA 1 58 GLU HG2 2.465 . 3.224 2.394 2.315 2.511 . 0 0 "[ . 1]" 1
1091 1 33 MET ME 1 58 GLU HG2 2.931 . 4.005 3.843 3.619 4.023 0.018 7 0 "[ . 1]" 1
1092 1 70 GLU HA 1 70 GLU HG3 2.442 . 3.188 2.875 2.109 3.235 0.047 1 0 "[ . 1]" 1
1093 1 3 GLU HA 1 3 GLU HG2 2.625 . 3.487 3.031 2.277 3.536 0.049 8 0 "[ . 1]" 1
1094 1 3 GLU HB2 1 3 GLU HG2 2.501 . 3.283 2.897 2.668 2.997 . 0 0 "[ . 1]" 1
1095 1 10 LYS HA 1 20 GLN HG2 2.918 . 3.982 3.340 2.616 3.543 . 0 0 "[ . 1]" 1
1096 1 18 VAL MG2 1 20 GLN HG2 2.641 . 3.513 3.480 3.121 3.572 0.059 6 0 "[ . 1]" 1
1097 1 20 GLN HA 1 20 GLN HG2 2.494 . 3.272 2.508 2.442 2.536 . 0 0 "[ . 1]" 1
1098 1 51 PHE QD 1 67 MET HG3 2.933 . 4.008 4.066 3.993 4.125 0.117 7 0 "[ . 1]" 1
1099 1 55 PRO HA 1 55 PRO HB3 2.292 . 2.949 2.254 2.235 2.292 . 0 0 "[ . 1]" 1
1100 1 28 PRO HB3 1 61 THR MG 2.679 . 3.576 3.516 3.426 3.590 0.014 10 0 "[ . 1]" 1
1101 1 46 GLN HA 1 46 GLN HB3 2.493 . 3.270 3.016 2.986 3.036 . 0 0 "[ . 1]" 1
1102 1 42 LEU HB3 1 46 GLN HB3 3.312 . 4.683 4.726 4.618 4.757 0.074 10 0 "[ . 1]" 1
1103 1 46 GLN HB3 1 47 ILE MG 3.270 . 4.606 3.966 3.186 4.868 0.262 4 0 "[ . 1]" 1
1104 1 43 SER HB2 1 46 GLN HB3 2.557 . 3.374 3.413 3.387 3.439 0.065 9 0 "[ . 1]" 1
1105 1 64 GLN HB2 1 65 LEU HG 3.084 . 4.273 3.865 3.824 3.899 . 0 0 "[ . 1]" 1
1106 1 55 PRO HD3 1 55 PRO HG3 2.399 . 3.118 2.312 2.258 2.342 . 0 0 "[ . 1]" 1
1107 1 55 PRO HD2 1 55 PRO HG3 2.315 . 2.985 2.696 2.645 2.833 . 0 0 "[ . 1]" 1
1108 1 66 GLU HA 1 66 GLU HB3 2.533 . 3.335 2.547 2.487 2.618 . 0 0 "[ . 1]" 1
1109 1 70 GLU HA 1 70 GLU HB2 2.398 . 3.117 2.908 2.575 3.028 . 0 0 "[ . 1]" 1
1110 2 20 LYS H 2 83 ILE H 3.219 . 4.514 4.274 3.947 4.563 0.049 9 0 "[ . 1]" 1
1111 2 82 THR HA 2 83 ILE H 2.301 . 2.963 2.326 2.148 2.384 . 0 0 "[ . 1]" 1
1112 2 21 VAL HA 2 83 ILE H 2.818 . 3.811 2.073 1.954 2.249 . 0 0 "[ . 1]" 1
1113 2 83 ILE H 2 83 ILE HB 2.606 . 3.455 2.643 2.508 2.713 . 0 0 "[ . 1]" 1
1114 2 82 THR MG 2 83 ILE H 2.610 . 3.462 1.899 1.814 2.212 . 0 0 "[ . 1]" 1
1115 2 83 ILE H 2 83 ILE MG 3.175 . 4.435 3.796 3.765 3.838 . 0 0 "[ . 1]" 1
1116 2 83 ILE H 2 83 ILE MD 3.124 . 4.344 4.075 3.789 4.292 . 0 0 "[ . 1]" 1
1117 2 34 LYS HB3 2 37 THR HB 2.483 . 3.253 3.161 2.747 3.317 0.064 4 0 "[ . 1]" 1
1118 2 33 ILE HG12 2 37 THR HB 2.679 . 3.576 3.342 2.667 3.616 0.040 3 0 "[ . 1]" 1
1119 2 33 ILE MD 2 37 THR HB 2.339 . 3.023 2.970 2.253 3.080 0.057 5 0 "[ . 1]" 1
1120 2 90 THR HB 2 90 THR MG 1.819 . 2.232 2.097 2.073 2.119 . 0 0 "[ . 1]" 1
1121 2 28 VAL HA 2 29 VAL H 2.159 . 2.741 2.321 2.293 2.348 . 0 0 "[ . 1]" 1
1122 2 22 ALA MB 2 29 VAL H 3.344 . 4.742 4.409 4.176 4.536 . 0 0 "[ . 1]" 1
1123 2 29 VAL H 2 29 VAL MG2 2.656 . 3.537 2.160 2.108 2.222 . 0 0 "[ . 1]" 1
1124 2 28 VAL MG2 2 29 VAL H 2.559 . 3.377 1.846 1.809 1.938 . 0 0 "[ . 1]" 1
1125 2 69 THR HB 2 69 THR MG 1.844 . 2.269 2.098 2.078 2.112 . 0 0 "[ . 1]" 1
1126 2 71 THR HA 2 71 THR HB 2.249 . 2.881 2.306 2.249 2.327 . 0 0 "[ . 1]" 1
1127 2 36 HIS HA 2 71 THR HB 2.436 . 3.178 3.184 3.060 3.252 0.074 1 0 "[ . 1]" 1
1128 2 83 ILE MG 2 84 ASP H 2.666 . 3.555 3.211 2.413 3.382 . 0 0 "[ . 1]" 1
1129 2 60 ARG H 2 84 ASP H 2.980 . 4.090 3.264 2.366 3.556 . 0 0 "[ . 1]" 1
1130 2 69 THR HA 2 69 THR HB 2.063 . 2.595 2.394 2.354 2.453 . 0 0 "[ . 1]" 1
1131 2 38 PRO HB3 2 69 THR HB 2.976 . 4.083 4.129 4.017 4.212 0.129 1 0 "[ . 1]" 1
1132 2 53 SER HB3 2 54 MET H 3.301 . 4.663 4.331 3.859 4.553 . 0 0 "[ . 1]" 1
1133 2 72 PRO HA 2 72 PRO HB3 2.311 . 2.979 2.257 2.229 2.286 . 0 0 "[ . 1]" 1
1134 2 72 PRO HA 2 72 PRO HB2 2.551 . 3.365 2.950 2.917 2.965 . 0 0 "[ . 1]" 1
1135 2 72 PRO HA 2 75 LEU HB2 2.629 . 3.493 3.032 2.552 3.222 . 0 0 "[ . 1]" 1
1136 2 72 PRO HA 2 75 LEU MD1 2.706 . 3.621 3.529 3.310 3.635 0.014 10 0 "[ . 1]" 1
1137 2 62 ASP HA 2 63 GLY H 2.413 . 3.141 2.270 2.046 2.378 . 0 0 "[ . 1]" 1
1138 2 63 GLY H 2 63 GLY HA2 2.266 . 2.908 2.372 2.258 2.491 . 0 0 "[ . 1]" 1
1139 2 60 ARG HA 2 65 PRO HA 2.600 . 3.445 2.309 1.927 2.617 . 0 0 "[ . 1]" 1
1140 2 65 PRO HA 2 65 PRO HB3 2.508 . 3.294 2.290 2.263 2.302 . 0 0 "[ . 1]" 1
1141 2 10 VAL HA 2 11 LYS H 2.065 . 2.598 2.268 2.076 2.598 . 0 0 "[ . 1]" 1
1142 2 11 LYS H 2 11 LYS HB2 2.393 . 3.109 2.292 2.094 2.513 . 0 0 "[ . 1]" 1
1143 2 90 THR HA 2 90 THR MG 2.447 . 3.196 2.708 2.097 3.207 0.011 1 0 "[ . 1]" 1
1144 2 69 THR H 2 69 THR HB 3.178 . 4.441 3.739 3.624 3.822 . 0 0 "[ . 1]" 1
1145 2 6 PRO HA 2 6 PRO HB3 2.085 . 2.628 2.313 2.288 2.366 . 0 0 "[ . 1]" 1
1146 2 38 PRO HA 2 71 THR HA 2.565 . 3.387 2.828 2.481 3.045 . 0 0 "[ . 1]" 1
1147 2 38 PRO HA 2 38 PRO HB3 2.201 . 2.806 2.280 2.264 2.291 . 0 0 "[ . 1]" 1
1148 2 29 VAL MG2 2 30 GLN H 2.822 . 3.818 3.917 3.889 3.943 0.125 10 0 "[ . 1]" 1
1149 2 37 THR MG 2 38 PRO HA 3.051 . 4.215 4.134 3.854 4.336 0.121 10 0 "[ . 1]" 1
1150 2 38 PRO HA 2 71 THR MG 2.068 . 2.603 1.773 1.619 1.975 . 0 0 "[ . 1]" 1
1151 2 29 VAL MG1 2 30 GLN H 2.378 . 3.085 3.222 3.190 3.262 0.177 8 0 "[ . 1]" 1
1152 2 67 ASN HA 2 69 THR H 3.152 . 4.394 4.134 4.001 4.406 0.012 1 0 "[ . 1]" 1
1153 2 46 TYR HA 2 46 TYR QD 2.055 . 2.583 1.607 1.570 1.655 . 0 0 "[ . 1]" 1
1154 2 46 TYR HA 2 50 GLN HE21 3.005 . 4.134 4.027 3.697 4.177 0.043 2 0 "[ . 1]" 1
1155 2 46 TYR HA 2 46 TYR HB3 2.460 . 3.217 2.974 2.955 2.992 . 0 0 "[ . 1]" 1
1156 2 46 TYR HA 2 46 TYR HB2 2.384 . 3.095 2.664 2.611 2.692 . 0 0 "[ . 1]" 1
1157 2 46 TYR HA 2 49 ARG HB2 2.679 . 3.576 1.928 1.829 2.085 . 0 0 "[ . 1]" 1
1158 2 31 PHE HA 2 31 PHE QD 2.662 . 3.548 2.687 2.142 3.042 . 0 0 "[ . 1]" 1
1159 2 31 PHE HB3 2 31 PHE QD 2.356 . 3.050 2.380 2.288 2.593 . 0 0 "[ . 1]" 1
1160 2 86 PHE H 2 86 PHE HB3 2.926 . 3.996 3.765 3.663 3.928 . 0 0 "[ . 1]" 1
1161 2 86 PHE H 2 86 PHE HB2 2.788 . 3.760 2.735 2.650 2.943 . 0 0 "[ . 1]" 1
1162 2 85 VAL MG1 2 86 PHE H 2.752 . 3.698 2.711 2.524 2.929 . 0 0 "[ . 1]" 1
1163 2 85 VAL MG2 2 86 PHE H 2.960 . 4.055 4.048 3.970 4.086 0.031 3 0 "[ . 1]" 1
1164 2 57 ILE MG 2 86 PHE H 3.318 . 4.694 4.487 4.320 4.622 . 0 0 "[ . 1]" 1
1165 2 59 PHE HA 2 86 PHE H 3.122 . 4.340 3.936 3.593 4.204 . 0 0 "[ . 1]" 1
1166 2 46 TYR HB3 2 46 TYR QD 2.322 . 2.996 2.499 2.441 2.561 . 0 0 "[ . 1]" 1
1167 2 67 ASN H 2 70 ASP HB3 3.322 . 4.702 4.624 4.120 4.867 0.165 1 0 "[ . 1]" 1
1168 2 67 ASN H 2 67 ASN HD21 3.135 . 4.364 3.489 3.074 4.384 0.020 4 0 "[ . 1]" 1
1169 2 67 ASN H 2 67 ASN HA 2.764 . 3.719 2.762 2.557 2.914 . 0 0 "[ . 1]" 1
1170 2 66 ILE HA 2 67 ASN H 2.190 . 2.789 2.417 2.100 2.826 0.037 1 0 "[ . 1]" 1
1171 2 67 ASN H 2 67 ASN HB2 2.582 . 3.416 3.032 2.879 3.271 . 0 0 "[ . 1]" 1
1172 2 66 ILE HB 2 67 ASN H 2.721 . 3.647 3.324 2.058 4.205 0.558 1 1 "[+ . 1]" 1
1173 2 59 PHE HB3 2 59 PHE QD 2.494 . 3.272 2.344 2.293 2.405 . 0 0 "[ . 1]" 1
1174 2 59 PHE HB2 2 59 PHE QD 2.483 . 3.254 2.743 2.732 2.755 . 0 0 "[ . 1]" 1
1175 2 4 GLU HA 2 5 LYS H 2.201 . 2.806 2.800 2.184 3.039 0.233 8 0 "[ . 1]" 1
1176 2 59 PHE QD 2 85 VAL MG1 2.835 . 3.840 3.026 2.902 3.157 . 0 0 "[ . 1]" 1
1177 2 59 PHE QD 2 85 VAL MG2 2.430 . 3.168 2.669 2.554 2.758 . 0 0 "[ . 1]" 1
1178 2 82 THR HA 2 82 THR HB 2.342 . 3.028 3.006 2.988 3.015 . 0 0 "[ . 1]" 1
1179 2 20 LYS HB2 2 82 THR HA 2.212 . 2.824 2.677 2.415 3.202 0.378 1 0 "[ . 1]" 1
1180 2 20 LYS HB3 2 82 THR HA 2.372 . 3.075 2.013 1.891 2.132 . 0 0 "[ . 1]" 1
1181 2 10 VAL HA 2 10 VAL HB 2.095 . 2.644 2.418 2.376 2.462 . 0 0 "[ . 1]" 1
1182 2 10 VAL HA 2 10 VAL MG2 1.890 . 2.337 2.327 2.247 2.394 0.057 7 0 "[ . 1]" 1
1183 2 88 GLN HA 2 89 GLN H 2.468 . 3.230 2.290 2.134 2.584 . 0 0 "[ . 1]" 1
1184 2 18 ASN HA 2 19 LEU H 2.198 . 2.802 2.211 2.162 2.273 . 0 0 "[ . 1]" 1
1185 2 19 LEU H 2 32 LYS HA 3.092 . 4.287 2.542 2.232 2.797 . 0 0 "[ . 1]" 1
1186 2 61 PHE QD 2 75 LEU HB3 2.754 . 3.702 3.283 2.382 3.754 0.052 5 0 "[ . 1]" 1
1187 2 19 LEU H 2 19 LEU HB2 3.007 . 4.137 2.442 2.235 2.591 . 0 0 "[ . 1]" 1
1188 2 33 ILE HA 2 34 LYS H 2.521 . 3.315 2.159 2.077 2.275 . 0 0 "[ . 1]" 1
1189 2 34 LYS H 2 37 THR HB 3.404 . 4.852 3.770 2.825 4.160 . 0 0 "[ . 1]" 1
1190 2 86 PHE HA 2 86 PHE QD 2.585 . 3.420 2.297 1.940 2.702 . 0 0 "[ . 1]" 1
1191 2 86 PHE HB3 2 86 PHE QD 2.415 . 3.144 2.634 2.478 2.760 . 0 0 "[ . 1]" 1
1192 2 86 PHE HB2 2 86 PHE QD 2.376 . 3.081 2.294 2.259 2.363 . 0 0 "[ . 1]" 1
1193 2 20 LYS HE3 2 82 THR HA 3.001 . 4.127 3.181 2.972 3.612 . 0 0 "[ . 1]" 1
1194 2 22 ALA HA 2 28 VAL HA 1.964 . 2.446 2.129 1.945 2.343 . 0 0 "[ . 1]" 1
1195 2 28 VAL HA 2 28 VAL HB 2.269 . 2.912 2.387 2.352 2.403 . 0 0 "[ . 1]" 1
1196 2 69 THR HA 2 70 ASP H 2.874 . 3.907 3.371 3.256 3.503 . 0 0 "[ . 1]" 1
1197 2 28 VAL HA 2 29 VAL MG2 2.777 . 3.741 3.371 3.305 3.472 . 0 0 "[ . 1]" 1
1198 2 70 ASP H 2 70 ASP HB3 2.589 . 3.427 3.525 3.439 3.575 0.148 3 0 "[ . 1]" 1
1199 2 39 LEU MD1 2 70 ASP H 3.076 . 4.259 3.771 3.125 4.081 . 0 0 "[ . 1]" 1
1200 2 12 THR HA 2 12 THR MG 1.941 . 2.412 2.426 2.306 2.538 0.126 2 0 "[ . 1]" 1
1201 2 67 ASN HB2 2 70 ASP H 3.006 . 4.136 3.850 3.403 4.152 0.016 3 0 "[ . 1]" 1
1202 2 46 TYR QE 2 85 VAL HB 2.303 . 2.966 1.981 1.827 2.199 . 0 0 "[ . 1]" 1
1203 2 29 VAL MG1 2 46 TYR QE 2.129 . 2.696 1.860 1.774 1.948 . 0 0 "[ . 1]" 1
1204 2 46 TYR QE 2 49 ARG HD2 2.906 . 3.961 4.110 4.061 4.146 0.185 9 0 "[ . 1]" 1
1205 2 18 ASN H 2 18 ASN HD21 3.128 . 4.351 4.052 2.194 4.625 0.274 8 0 "[ . 1]" 1
1206 2 21 VAL MG1 2 46 TYR QE 2.925 . 3.994 3.055 2.932 3.275 . 0 0 "[ . 1]" 1
1207 2 18 ASN H 2 18 ASN HB2 2.803 . 3.785 2.509 2.083 3.452 . 0 0 "[ . 1]" 1
1208 2 17 ILE HB 2 18 ASN H 2.790 . 3.763 2.503 2.255 2.687 . 0 0 "[ . 1]" 1
1209 2 17 ILE HG12 2 18 ASN H 3.125 . 4.346 4.440 3.984 4.564 0.218 2 0 "[ . 1]" 1
1210 2 21 VAL HA 2 21 VAL HB 2.620 . 3.478 2.990 2.978 3.006 . 0 0 "[ . 1]" 1
1211 2 21 VAL HA 2 83 ILE HB 2.480 . 3.249 2.569 2.416 2.738 . 0 0 "[ . 1]" 1
1212 2 21 VAL HA 2 22 ALA MB 2.914 . 3.975 3.892 3.835 3.929 . 0 0 "[ . 1]" 1
1213 2 13 GLU H 2 13 GLU HB2 2.782 . 3.749 3.310 2.500 3.940 0.191 2 0 "[ . 1]" 1
1214 2 21 VAL HA 2 21 VAL MG2 2.204 . 2.811 2.649 2.581 2.709 . 0 0 "[ . 1]" 1
1215 2 31 PHE QD 2 32 LYS H 3.311 . 4.681 4.096 3.852 4.340 . 0 0 "[ . 1]" 1
1216 2 32 LYS H 2 32 LYS HA 2.863 . 3.888 2.922 2.908 2.943 . 0 0 "[ . 1]" 1
1217 2 31 PHE HB3 2 32 LYS H 2.755 . 3.704 2.449 2.294 2.726 . 0 0 "[ . 1]" 1
1218 2 31 PHE HB2 2 32 LYS H 3.025 . 4.168 3.646 3.550 3.819 . 0 0 "[ . 1]" 1
1219 2 31 PHE H 2 32 LYS H 3.294 . 4.650 4.505 4.455 4.544 . 0 0 "[ . 1]" 1
1220 2 32 LYS H 2 33 ILE H 3.195 . 4.471 3.985 3.818 4.266 . 0 0 "[ . 1]" 1
1221 2 69 THR HA 2 69 THR MG 1.882 . 2.325 2.387 2.349 2.427 0.102 5 0 "[ . 1]" 1
1222 2 39 LEU H 2 71 THR MG 2.813 . 3.802 3.358 3.033 3.615 . 0 0 "[ . 1]" 1
1223 2 43 MET HA 2 59 PHE QE 2.630 . 3.494 2.124 1.996 2.257 . 0 0 "[ . 1]" 1
1224 2 57 ILE HG13 2 59 PHE QE 3.059 . 4.229 1.848 1.814 1.873 0.075 4 0 "[ . 1]" 1
1225 2 57 ILE MD 2 59 PHE QE 2.469 . 3.231 2.121 1.887 2.498 . 0 0 "[ . 1]" 1
1226 2 39 LEU H 2 39 LEU HG 2.697 . 3.606 2.775 2.005 2.967 . 0 0 "[ . 1]" 1
1227 2 17 ILE H 2 33 ILE H 2.805 . 3.789 3.050 2.708 3.233 . 0 0 "[ . 1]" 1
1228 2 32 LYS HA 2 33 ILE H 2.300 . 2.961 2.037 1.955 2.098 . 0 0 "[ . 1]" 1
1229 2 82 THR MG 2 83 ILE HA 2.903 . 3.956 3.742 3.621 3.898 . 0 0 "[ . 1]" 1
1230 2 28 VAL H 2 28 VAL MG1 2.575 . 3.404 2.230 2.167 2.306 . 0 0 "[ . 1]" 1
1231 2 28 VAL H 2 28 VAL HA 2.680 . 3.578 2.902 2.890 2.915 . 0 0 "[ . 1]" 1
1232 2 29 VAL HA 2 29 VAL HB 2.231 . 2.853 2.628 2.598 2.655 . 0 0 "[ . 1]" 1
1233 2 29 VAL HA 2 29 VAL MG1 1.989 . 2.484 2.122 1.961 2.182 . 0 0 "[ . 1]" 1
1234 2 59 PHE HA 2 85 VAL HA 2.851 . 3.867 2.464 2.343 2.632 . 0 0 "[ . 1]" 1
1235 2 77 MET HA 2 78 GLU H 2.321 . 2.994 2.678 2.448 2.937 . 0 0 "[ . 1]" 1
1236 2 78 GLU H 2 78 GLU HB3 2.777 . 3.741 3.766 3.689 3.893 0.152 10 0 "[ . 1]" 1
1237 2 17 ILE MD 2 78 GLU H 3.177 . 4.438 2.807 2.260 3.193 . 0 0 "[ . 1]" 1
1238 2 78 GLU H 2 81 ASP HB2 3.268 . 4.603 2.556 1.947 3.624 . 0 0 "[ . 1]" 1
1239 2 61 PHE QD 2 83 ILE HA 2.601 . 3.446 3.487 3.356 3.568 0.122 8 0 "[ . 1]" 1
1240 2 61 PHE HA 2 83 ILE HA 2.636 . 3.505 2.253 1.874 2.780 . 0 0 "[ . 1]" 1
1241 2 83 ILE HA 2 83 ILE HB 2.499 . 3.280 3.020 3.011 3.028 . 0 0 "[ . 1]" 1
1242 2 18 ASN HA 2 33 ILE H 3.253 . 4.575 3.017 2.729 3.312 . 0 0 "[ . 1]" 1
1243 2 83 ILE HA 2 83 ILE MG 2.347 . 3.036 2.505 2.436 2.597 . 0 0 "[ . 1]" 1
1244 2 66 ILE HA 2 66 ILE HB 2.301 . 2.963 2.339 2.271 2.445 . 0 0 "[ . 1]" 1
1245 2 66 ILE HA 2 66 ILE HG13 2.704 . 3.618 3.725 3.532 3.834 0.216 2 0 "[ . 1]" 1
1246 2 66 ILE HA 2 66 ILE MG 2.011 . 2.517 2.243 2.145 2.286 . 0 0 "[ . 1]" 1
1247 2 44 LYS HA 2 47 CYS HB2 2.493 . 3.270 2.953 2.246 3.386 0.116 7 0 "[ . 1]" 1
1248 2 77 MET H 2 78 GLU H 3.293 . 4.649 4.603 4.559 4.660 0.011 9 0 "[ . 1]" 1
1249 2 78 GLU H 2 81 ASP HB3 3.069 . 4.246 3.133 2.365 3.625 . 0 0 "[ . 1]" 1
1250 2 77 MET HB2 2 78 GLU H 2.945 . 4.029 3.335 2.787 3.719 . 0 0 "[ . 1]" 1
1251 2 33 ILE HA 2 33 ILE HB 2.111 . 2.668 2.481 2.399 2.536 . 0 0 "[ . 1]" 1
1252 2 33 ILE HA 2 33 ILE HG13 2.370 . 3.072 2.363 2.294 2.457 . 0 0 "[ . 1]" 1
1253 2 33 ILE HA 2 33 ILE HG12 2.598 . 3.441 3.281 2.766 3.592 0.151 10 0 "[ . 1]" 1
1254 2 57 ILE HB 2 85 VAL HA 2.849 . 3.864 3.995 3.925 4.027 0.163 9 0 "[ . 1]" 1
1255 2 17 ILE HA 2 17 ILE MG 2.384 . 3.094 2.412 2.294 2.607 . 0 0 "[ . 1]" 1
1256 2 59 PHE HB2 2 60 ARG H 2.986 . 4.100 3.776 3.649 3.874 . 0 0 "[ . 1]" 1
1257 2 60 ARG H 2 60 ARG HB3 2.751 . 3.697 3.228 3.088 3.446 . 0 0 "[ . 1]" 1
1258 2 44 LYS HA 2 44 LYS HB2 1.900 . 2.351 2.430 2.385 2.459 0.108 3 0 "[ . 1]" 1
1259 2 60 ARG H 2 66 ILE MD 3.208 . 4.495 3.261 2.960 3.537 . 0 0 "[ . 1]" 1
1260 2 59 PHE QD 2 60 ARG H 3.068 . 4.244 4.057 3.887 4.209 . 0 0 "[ . 1]" 1
1261 2 57 ILE HA 2 87 GLN HE22 2.754 . 3.702 3.626 3.522 3.727 0.025 7 0 "[ . 1]" 1
1262 2 57 ILE HA 2 87 GLN HB3 3.010 . 4.143 2.793 2.682 2.922 . 0 0 "[ . 1]" 1
1263 2 57 ILE HA 2 87 GLN HB2 2.905 . 3.960 1.942 1.816 2.137 0.034 10 0 "[ . 1]" 1
1264 2 57 ILE HA 2 57 ILE HB 2.129 . 2.696 2.568 2.525 2.601 . 0 0 "[ . 1]" 1
1265 2 7 LYS HA 2 8 GLU H 2.076 . 2.614 2.329 2.217 2.468 . 0 0 "[ . 1]" 1
1266 2 8 GLU H 2 8 GLU HB2 2.526 . 3.323 3.247 3.094 3.430 0.107 5 0 "[ . 1]" 1
1267 2 16 HIS HD2 2 33 ILE HA 2.700 . 3.611 3.507 2.035 3.728 0.117 2 0 "[ . 1]" 1
1268 2 20 LYS HB3 2 21 VAL H 3.121 . 4.338 3.606 3.435 4.065 . 0 0 "[ . 1]" 1
1269 2 21 VAL H 2 29 VAL MG2 3.384 . 4.815 1.956 1.884 2.088 0.069 4 0 "[ . 1]" 1
1270 2 21 VAL H 2 29 VAL H 2.600 . 3.445 2.571 2.466 2.768 . 0 0 "[ . 1]" 1
1271 2 48 GLU HA 2 48 GLU HB3 1.933 . 2.400 2.353 2.327 2.378 . 0 0 "[ . 1]" 1
1272 2 21 VAL H 2 21 VAL HB 2.534 . 3.337 2.931 2.876 2.997 . 0 0 "[ . 1]" 1
1273 2 21 VAL H 2 21 VAL MG2 2.615 . 3.470 2.304 2.191 2.404 . 0 0 "[ . 1]" 1
1274 2 21 VAL H 2 21 VAL MG1 3.207 . 4.493 3.892 3.870 3.916 . 0 0 "[ . 1]" 1
1275 2 58 ARG H 2 87 GLN H 3.304 . 4.669 4.552 4.419 4.676 0.007 7 0 "[ . 1]" 1
1276 2 45 ALA H 2 45 ALA HA 2.544 . 3.353 2.795 2.684 2.861 . 0 0 "[ . 1]" 1
1277 2 45 ALA H 2 45 ALA MB 2.127 . 2.693 2.151 2.103 2.212 . 0 0 "[ . 1]" 1
1278 2 42 LEU HA 2 45 ALA H 2.994 . 4.114 3.658 3.415 3.973 . 0 0 "[ . 1]" 1
1279 2 27 SER HA 2 28 VAL MG1 2.554 . 3.369 3.428 3.387 3.462 0.093 8 0 "[ . 1]" 1
1280 2 42 LEU H 2 42 LEU HB3 2.498 . 3.278 2.509 2.313 2.766 . 0 0 "[ . 1]" 1
1281 2 33 ILE MD 2 42 LEU H 2.924 . 3.993 3.227 2.920 3.461 . 0 0 "[ . 1]" 1
1282 2 49 ARG HA 2 49 ARG HB2 2.220 . 2.836 2.869 2.814 2.894 0.058 1 0 "[ . 1]" 1
1283 2 42 LEU H 2 43 MET H 2.436 . 3.178 2.312 2.167 2.622 . 0 0 "[ . 1]" 1
1284 2 41 LYS H 2 42 LEU H 2.640 . 3.511 2.243 2.057 2.626 . 0 0 "[ . 1]" 1
1285 2 74 GLN HA 2 74 GLN HB2 2.052 . 2.578 2.846 2.817 2.912 0.334 3 0 "[ . 1]" 1
1286 2 73 ALA MB 2 74 GLN HA 2.702 . 3.615 3.542 3.495 3.612 . 0 0 "[ . 1]" 1
1287 2 41 LYS HB3 2 42 LEU H 2.832 . 3.834 3.544 3.358 3.963 0.129 10 0 "[ . 1]" 1
1288 2 42 LEU H 2 42 LEU HG 3.125 . 4.346 4.410 4.311 4.492 0.146 5 0 "[ . 1]" 1
1289 2 54 MET HA 2 57 ILE MD 2.691 . 3.596 2.074 1.878 2.812 . 0 0 "[ . 1]" 1
1290 2 86 PHE HB3 2 87 GLN H 2.732 . 3.665 3.724 3.693 3.747 0.082 8 0 "[ . 1]" 1
1291 2 87 GLN H 2 87 GLN HB3 2.682 . 3.581 3.074 3.029 3.159 . 0 0 "[ . 1]" 1
1292 2 24 GLN HA 2 24 GLN HB3 1.983 . 2.475 2.383 2.300 2.505 0.030 5 0 "[ . 1]" 1
1293 2 45 ALA H 2 46 TYR H 2.545 . 3.355 2.807 2.566 3.136 . 0 0 "[ . 1]" 1
1294 2 74 GLN HA 2 75 LEU MD2 2.980 . 4.090 4.058 3.973 4.104 0.014 10 0 "[ . 1]" 1
1295 2 44 LYS HB3 2 45 ALA H 2.412 . 3.139 2.988 2.487 3.240 0.101 5 0 "[ . 1]" 1
1296 2 44 LYS H 2 45 ALA H 2.498 . 3.278 2.543 2.331 2.696 . 0 0 "[ . 1]" 1
1297 2 39 LEU HA 2 42 LEU H 3.034 . 4.184 3.008 2.904 3.141 . 0 0 "[ . 1]" 1
1298 2 39 LEU HG 2 71 THR HA 2.565 . 3.388 2.307 2.171 2.567 . 0 0 "[ . 1]" 1
1299 2 13 GLU HA 2 35 ARG HD3 2.590 . 3.429 3.464 3.307 3.535 0.106 2 0 "[ . 1]" 1
1300 2 7 LYS HA 2 7 LYS QD 2.161 . 2.745 2.516 2.059 3.134 0.389 8 0 "[ . 1]" 1
1301 2 31 PHE H 2 31 PHE QD 2.829 . 3.829 2.265 2.013 2.717 . 0 0 "[ . 1]" 1
1302 2 31 PHE H 2 31 PHE HB3 2.897 . 3.946 3.554 3.532 3.576 . 0 0 "[ . 1]" 1
1303 2 16 HIS HA 2 16 HIS HB3 2.603 . 3.450 2.388 2.332 2.634 . 0 0 "[ . 1]" 1
1304 2 16 HIS HA 2 16 HIS HB2 2.563 . 3.384 2.990 2.950 3.018 . 0 0 "[ . 1]" 1
1305 2 16 HIS HA 2 34 LYS HB3 2.820 . 3.814 3.971 3.886 4.212 0.398 10 0 "[ . 1]" 1
1306 2 16 HIS HA 2 34 LYS HG3 2.778 . 3.743 3.423 2.874 3.811 0.068 2 0 "[ . 1]" 1
1307 2 30 GLN HA 2 31 PHE H 2.129 . 2.695 2.059 2.036 2.090 . 0 0 "[ . 1]" 1
1308 2 20 LYS HA 2 31 PHE H 2.957 . 4.050 2.605 2.344 2.759 . 0 0 "[ . 1]" 1
1309 2 31 PHE H 2 31 PHE HB2 2.636 . 3.504 2.351 2.306 2.399 . 0 0 "[ . 1]" 1
1310 2 17 ILE HB 2 79 ASP HA 2.339 . 3.023 1.950 1.776 2.153 . 0 0 "[ . 1]" 1
1311 2 17 ILE MD 2 79 ASP HA 2.696 . 3.604 3.171 2.784 3.444 . 0 0 "[ . 1]" 1
1312 2 57 ILE HA 2 58 ARG H 2.187 . 2.785 2.470 2.413 2.562 . 0 0 "[ . 1]" 1
1313 2 34 LYS HA 2 34 LYS HB3 2.432 . 3.172 2.988 2.940 3.003 . 0 0 "[ . 1]" 1
1314 2 34 LYS HA 2 34 LYS HG2 2.550 . 3.363 2.980 2.757 3.465 0.102 10 0 "[ . 1]" 1
1315 2 34 LYS HA 2 34 LYS HG3 2.418 . 3.149 2.856 2.455 3.149 . 7 0 "[ . 1]" 1
1316 2 11 LYS HA 2 11 LYS QE 3.064 . 4.238 3.836 2.263 4.244 0.006 6 0 "[ . 1]" 1
1317 2 89 GLN HA 2 90 THR H 2.107 . 2.662 2.383 2.145 2.861 0.199 1 0 "[ . 1]" 1
1318 2 90 THR H 2 90 THR HA 2.706 . 3.621 2.881 2.802 2.944 . 0 0 "[ . 1]" 1
1319 2 77 MET HA 2 81 ASP HB3 2.965 . 4.064 4.033 3.484 4.198 0.134 2 0 "[ . 1]" 1
1320 2 77 MET HA 2 77 MET HB2 2.344 . 3.031 3.013 3.007 3.019 . 0 0 "[ . 1]" 1
1321 2 59 PHE HA 2 59 PHE QD 2.506 . 3.291 2.532 2.434 2.632 . 0 0 "[ . 1]" 1
1322 2 35 ARG H 2 37 THR H 3.358 . 4.767 2.728 2.400 3.849 . 0 0 "[ . 1]" 1
1323 2 59 PHE HA 2 59 PHE HB2 2.365 . 3.064 3.003 2.987 3.008 . 0 0 "[ . 1]" 1
1324 2 59 PHE HA 2 85 VAL MG1 3.010 . 4.143 4.085 4.003 4.191 0.048 10 0 "[ . 1]" 1
1325 2 36 HIS HA 2 37 THR H 3.093 . 4.289 3.313 3.096 3.441 . 0 0 "[ . 1]" 1
1326 2 37 THR H 2 37 THR HA 2.775 . 3.737 2.908 2.882 2.935 . 0 0 "[ . 1]" 1
1327 2 37 THR H 2 37 THR HB 2.344 . 3.031 2.394 2.220 2.813 . 0 0 "[ . 1]" 1
1328 2 53 SER HA 2 53 SER HB3 2.595 . 3.437 2.247 2.221 2.256 . 0 0 "[ . 1]" 1
1329 2 53 SER HA 2 53 SER HB2 2.648 . 3.524 2.910 2.853 2.954 . 0 0 "[ . 1]" 1
1330 2 11 LYS HA 2 11 LYS QD 2.350 . 3.040 3.132 2.912 3.262 0.222 7 0 "[ . 1]" 1
1331 2 11 LYS HA 2 11 LYS HG3 2.299 . 2.959 1.989 1.906 2.061 . 0 0 "[ . 1]" 1
1332 2 32 LYS HA 2 32 LYS HG3 2.438 . 3.181 2.985 2.414 3.222 0.041 4 0 "[ . 1]" 1
1333 2 61 PHE HA 2 61 PHE QD 2.138 . 2.709 2.608 2.464 2.771 0.062 2 0 "[ . 1]" 1
1334 2 61 PHE HA 2 61 PHE HB3 2.326 . 3.002 3.017 3.008 3.030 0.028 10 0 "[ . 1]" 1
1335 2 61 PHE HA 2 61 PHE HB2 2.404 . 3.126 2.370 2.328 2.453 . 0 0 "[ . 1]" 1
1336 2 37 THR H 2 71 THR HB 3.388 . 4.823 3.236 2.536 3.664 . 0 0 "[ . 1]" 1
1337 2 81 ASP HA 2 81 ASP HB3 2.530 . 3.330 2.561 2.258 2.823 . 0 0 "[ . 1]" 1
1338 2 81 ASP HA 2 81 ASP HB2 2.447 . 3.196 2.932 2.669 3.033 . 0 0 "[ . 1]" 1
1339 2 23 GLY HA3 2 24 GLN H 2.795 . 3.772 2.933 2.644 3.544 . 0 0 "[ . 1]" 1
1340 2 23 GLY HA2 2 24 GLN H 2.765 . 3.721 2.276 2.035 2.445 . 0 0 "[ . 1]" 1
1341 2 24 GLN H 2 24 GLN HB3 3.014 . 4.150 3.775 3.542 4.080 . 0 0 "[ . 1]" 1
1342 2 89 GLN HA 2 89 GLN HB2 2.351 . 3.042 2.835 2.470 3.023 . 0 0 "[ . 1]" 1
1343 2 80 GLU H 2 81 ASP H 2.566 . 3.389 2.635 2.494 2.797 . 0 0 "[ . 1]" 1
1344 2 19 LEU HA 2 81 ASP H 3.301 . 4.663 3.540 3.261 3.938 . 0 0 "[ . 1]" 1
1345 2 81 ASP H 2 81 ASP HA 2.602 . 3.448 2.774 2.653 2.823 . 0 0 "[ . 1]" 1
1346 2 79 ASP HA 2 81 ASP H 2.890 . 3.934 3.455 3.286 3.674 . 0 0 "[ . 1]" 1
1347 2 30 GLN HA 2 31 PHE QD 2.845 . 3.857 3.157 2.673 3.691 . 0 0 "[ . 1]" 1
1348 2 20 LYS HA 2 30 GLN HA 2.102 . 2.654 1.898 1.822 1.983 . 0 0 "[ . 1]" 1
1349 2 19 LEU MD2 2 81 ASP H 2.600 . 3.445 3.114 2.869 3.614 0.169 3 0 "[ . 1]" 1
1350 2 30 GLN HA 2 30 GLN HB2 2.275 . 2.922 2.873 2.848 2.928 0.006 1 0 "[ . 1]" 1
1351 2 20 LYS HA 2 20 LYS HB2 2.549 . 3.361 2.782 2.586 2.851 . 0 0 "[ . 1]" 1
1352 2 20 LYS HA 2 20 LYS HB3 2.321 . 2.994 2.888 2.833 2.994 . 0 0 "[ . 1]" 1
1353 2 20 LYS HA 2 20 LYS HG3 2.308 . 2.974 2.207 2.111 2.296 . 0 0 "[ . 1]" 1
1354 2 20 LYS HA 2 30 GLN HG2 2.740 . 3.679 3.180 2.487 3.390 . 0 0 "[ . 1]" 1
1355 2 20 LYS HA 2 28 VAL MG2 2.704 . 3.618 3.293 3.128 3.489 . 0 0 "[ . 1]" 1
1356 2 64 GLN H 2 64 GLN HB3 2.682 . 3.581 2.748 2.465 3.177 . 0 0 "[ . 1]" 1
1357 2 36 HIS HA 2 36 HIS HB3 2.329 . 3.007 2.946 2.808 3.030 0.023 3 0 "[ . 1]" 1
1358 2 70 ASP HA 2 70 ASP HB2 2.339 . 3.023 3.003 2.953 3.025 0.002 1 0 "[ . 1]" 1
1359 2 70 ASP HA 2 70 ASP HB3 2.190 . 2.789 2.504 2.379 2.691 . 0 0 "[ . 1]" 1
1360 2 58 ARG HG3 2 87 GLN HA 2.552 . 3.366 3.409 3.373 3.438 0.072 10 0 "[ . 1]" 1
1361 2 87 GLN HA 2 87 GLN HB3 2.794 . 3.770 2.999 2.991 3.005 . 0 0 "[ . 1]" 1
1362 2 60 ARG HA 2 61 PHE H 2.280 . 2.930 2.193 2.139 2.260 . 0 0 "[ . 1]" 1
1363 2 5 LYS HA 2 32 LYS HG3 2.664 . 3.551 3.634 3.544 3.721 0.170 8 0 "[ . 1]" 1
1364 2 45 ALA HA 2 48 GLU HG3 2.854 . 3.872 3.109 2.665 3.769 . 0 0 "[ . 1]" 1
1365 2 45 ALA HA 2 45 ALA MB 1.809 . 2.218 2.098 2.092 2.110 . 0 0 "[ . 1]" 1
1366 2 24 GLN H 2 24 GLN HG3 2.731 . 3.663 2.555 2.011 3.405 . 0 0 "[ . 1]" 1
1367 2 60 ARG HA 2 60 ARG HB3 2.360 . 3.056 2.968 2.901 3.002 . 0 0 "[ . 1]" 1
1368 2 60 ARG HA 2 60 ARG HB2 2.302 . 2.965 2.679 2.574 2.776 . 0 0 "[ . 1]" 1
1369 2 61 PHE H 2 61 PHE QD 3.304 . 4.669 4.131 4.013 4.339 . 0 0 "[ . 1]" 1
1370 2 60 ARG HA 2 66 ILE MD 2.877 . 3.912 3.395 2.794 3.603 . 0 0 "[ . 1]" 1
1371 2 61 PHE H 2 66 ILE MG 2.841 . 3.850 2.549 2.231 3.154 . 0 0 "[ . 1]" 1
1372 2 61 PHE H 2 66 ILE MD 3.099 . 4.299 3.431 3.032 4.030 . 0 0 "[ . 1]" 1
1373 2 75 LEU HA 2 75 LEU HB3 2.112 . 2.669 2.371 2.268 2.448 . 0 0 "[ . 1]" 1
1374 2 75 LEU HA 2 75 LEU HB2 2.463 . 3.221 3.005 2.956 3.023 . 0 0 "[ . 1]" 1
1375 2 20 LYS H 2 20 LYS HB2 2.714 . 3.635 2.349 2.076 2.710 . 0 0 "[ . 1]" 1
1376 2 75 LEU HA 2 75 LEU MD1 2.895 . 3.943 3.755 3.613 3.968 0.025 5 0 "[ . 1]" 1
1377 2 50 GLN HA 2 50 GLN HB3 2.124 . 2.688 2.396 2.336 2.481 . 0 0 "[ . 1]" 1
1378 2 19 LEU MD2 2 20 LYS H 2.776 . 3.739 2.007 1.758 2.284 0.055 2 0 "[ . 1]" 1
1379 2 50 GLN HA 2 50 GLN HB2 2.205 . 2.813 2.970 2.965 2.974 0.161 3 0 "[ . 1]" 1
1380 2 73 ALA HA 2 73 ALA MB 1.859 . 2.291 2.094 2.086 2.107 . 0 0 "[ . 1]" 1
1381 2 62 ASP HA 2 62 ASP HB3 2.106 . 2.660 2.774 2.446 2.960 0.300 9 0 "[ . 1]" 1
1382 2 59 PHE H 2 59 PHE HB3 2.668 . 3.558 3.633 3.598 3.667 0.109 10 0 "[ . 1]" 1
1383 2 58 ARG H 2 59 PHE H 3.393 . 4.832 4.173 4.094 4.315 . 0 0 "[ . 1]" 1
1384 2 22 ALA MB 2 84 ASP HA 2.220 . 2.836 2.298 2.113 2.476 . 0 0 "[ . 1]" 1
1385 2 82 THR MG 2 84 ASP HA 2.648 . 3.524 3.605 3.567 3.660 0.136 3 0 "[ . 1]" 1
1386 2 21 VAL MG1 2 84 ASP HA 2.989 . 4.106 3.658 3.448 3.812 . 0 0 "[ . 1]" 1
1387 2 5 LYS HA 2 6 PRO HD3 2.111 . 2.668 1.939 1.801 2.134 . 0 0 "[ . 1]" 1
1388 2 5 LYS HA 2 6 PRO HD2 2.210 . 2.820 2.643 2.384 2.873 0.053 10 0 "[ . 1]" 1
1389 2 67 ASN HB2 2 68 GLU H 2.992 . 4.111 4.268 4.249 4.282 0.171 7 0 "[ . 1]" 1
1390 2 59 PHE H 2 59 PHE QD 2.643 . 3.516 2.748 2.626 2.878 . 0 0 "[ . 1]" 1
1391 2 83 ILE MG 2 84 ASP HA 3.040 . 4.195 4.154 3.795 4.246 0.051 8 0 "[ . 1]" 1
1392 2 58 ARG HD3 2 59 PHE H 3.394 . 4.834 4.881 4.683 4.994 0.160 10 0 "[ . 1]" 1
1393 2 59 PHE H 2 59 PHE HB2 2.925 . 3.994 2.439 2.379 2.499 . 0 0 "[ . 1]" 1
1394 2 58 ARG HB3 2 59 PHE H 2.735 . 3.670 3.666 3.383 3.740 0.070 6 0 "[ . 1]" 1
1395 2 43 MET ME 2 59 PHE H 2.895 . 3.943 3.446 2.937 3.841 . 0 0 "[ . 1]" 1
1396 2 58 ARG HB2 2 59 PHE H 2.972 . 4.076 3.980 3.901 4.146 0.070 4 0 "[ . 1]" 1
1397 2 58 ARG HA 2 58 ARG HD3 2.539 . 3.345 2.802 2.476 3.351 0.006 10 0 "[ . 1]" 1
1398 2 14 ASN H 2 14 ASN HB3 3.217 . 4.511 3.322 2.692 3.813 . 0 0 "[ . 1]" 1
1399 2 14 ASN H 2 14 ASN HB2 3.079 . 4.264 2.557 2.091 2.951 . 0 0 "[ . 1]" 1
1400 2 58 ARG HA 2 59 PHE QD 2.655 . 3.536 3.526 3.473 3.546 0.010 9 0 "[ . 1]" 1
1401 2 78 GLU HA 2 78 GLU HB2 2.349 . 3.039 2.978 2.904 3.018 . 0 0 "[ . 1]" 1
1402 2 74 GLN H 2 74 GLN HB3 2.487 . 3.260 3.353 3.284 3.404 0.144 10 0 "[ . 1]" 1
1403 2 78 GLU HA 2 78 GLU HG3 2.565 . 3.388 2.405 2.099 3.351 . 0 0 "[ . 1]" 1
1404 2 78 GLU HA 2 78 GLU HG2 2.331 . 3.010 2.941 2.088 3.076 0.066 8 0 "[ . 1]" 1
1405 2 78 GLU HA 2 78 GLU HB3 2.187 . 2.785 2.629 2.428 2.791 0.006 3 0 "[ . 1]" 1
1406 2 17 ILE MG 2 78 GLU HA 2.770 . 3.729 3.286 2.942 3.639 . 0 0 "[ . 1]" 1
1407 2 19 LEU HA 2 19 LEU HB2 2.303 . 2.966 2.890 2.854 2.932 . 0 0 "[ . 1]" 1
1408 2 46 TYR H 2 46 TYR HA 2.713 . 3.633 2.748 2.704 2.779 . 0 0 "[ . 1]" 1
1409 2 46 TYR H 2 46 TYR HB3 2.505 . 3.289 3.019 2.893 3.100 . 0 0 "[ . 1]" 1
1410 2 19 LEU HA 2 80 GLU HA 2.967 . 4.067 3.986 3.821 4.131 0.064 1 0 "[ . 1]" 1
1411 2 45 ALA MB 2 46 TYR H 2.448 . 3.197 2.448 2.290 2.556 . 0 0 "[ . 1]" 1
1412 2 14 ASN HA 2 14 ASN HB3 2.186 . 2.783 2.943 2.839 2.978 0.195 2 0 "[ . 1]" 1
1413 2 14 ASN HA 2 14 ASN HB2 2.128 . 2.694 2.597 2.460 2.791 0.097 10 0 "[ . 1]" 1
1414 2 14 ASN HA 2 34 LYS HD3 2.860 . 3.883 2.765 1.853 3.972 0.089 10 0 "[ . 1]" 1
1415 2 74 GLN H 2 75 LEU H 2.443 . 3.189 2.832 2.744 2.918 . 0 0 "[ . 1]" 1
1416 2 25 ASP HA 2 25 ASP HB2 2.026 . 2.539 2.508 2.381 2.553 0.014 1 0 "[ . 1]" 1
1417 2 18 ASN HA 2 18 ASN HB3 2.349 . 3.039 2.823 2.246 3.005 . 0 0 "[ . 1]" 1
1418 2 18 ASN HA 2 18 ASN HB2 2.265 . 2.906 2.735 2.632 2.863 . 0 0 "[ . 1]" 1
1419 2 39 LEU HA 2 41 LYS H 3.312 . 4.683 3.387 3.184 4.106 . 0 0 "[ . 1]" 1
1420 2 64 GLN HA 2 65 PRO HD3 2.208 . 2.817 1.797 1.699 2.012 . 0 0 "[ . 1]" 1
1421 2 64 GLN HA 2 64 GLN HG2 2.539 . 3.345 3.365 3.273 3.501 0.156 9 0 "[ . 1]" 1
1422 2 64 GLN HA 2 64 GLN HB3 2.244 . 2.873 2.869 2.722 2.996 0.123 4 0 "[ . 1]" 1
1423 2 64 GLN HA 2 64 GLN HB2 2.427 . 3.163 2.336 2.204 2.623 . 0 0 "[ . 1]" 1
1424 2 49 ARG H 2 49 ARG HB3 2.336 . 3.018 3.163 3.057 3.211 0.193 1 0 "[ . 1]" 1
1425 2 49 ARG H 2 49 ARG HG3 2.664 . 3.551 3.583 3.519 3.642 0.091 9 0 "[ . 1]" 1
1426 2 65 PRO HB2 2 66 ILE H 2.883 . 3.922 3.282 2.712 3.825 . 0 0 "[ . 1]" 1
1427 2 60 ARG HG2 2 66 ILE H 3.361 . 4.773 4.500 4.007 4.830 0.057 9 0 "[ . 1]" 1
1428 2 66 ILE H 2 67 ASN H 3.264 . 4.595 3.707 2.419 4.537 . 0 0 "[ . 1]" 1
1429 2 66 ILE H 2 66 ILE HA 2.793 . 3.768 2.644 2.234 2.926 . 0 0 "[ . 1]" 1
1430 2 65 PRO HB3 2 66 ILE H 2.937 . 4.015 3.830 3.073 4.270 0.255 3 0 "[ . 1]" 1
1431 2 18 ASN HA 2 32 LYS HG3 2.847 . 3.860 3.565 2.768 3.889 0.029 6 0 "[ . 1]" 1
1432 2 66 ILE H 2 66 ILE MG 2.597 . 3.440 2.605 2.347 3.150 . 0 0 "[ . 1]" 1
1433 2 67 ASN HA 2 67 ASN HB3 2.080 . 2.621 2.359 2.288 2.453 . 0 0 "[ . 1]" 1
1434 2 43 MET ME 2 67 ASN HA 2.670 . 3.561 3.629 3.574 3.701 0.140 7 0 "[ . 1]" 1
1435 2 66 ILE H 2 66 ILE HG13 2.766 . 3.722 3.839 3.571 4.105 0.383 6 0 "[ . 1]" 1
1436 2 41 LYS H 2 41 LYS HA 2.414 . 3.143 2.842 2.737 2.874 . 0 0 "[ . 1]" 1
1437 2 38 PRO HB2 2 41 LYS H 3.257 . 4.583 3.501 3.240 4.435 . 0 0 "[ . 1]" 1
1438 2 41 LYS H 2 41 LYS HB3 2.427 . 3.163 3.368 3.285 3.445 0.282 3 0 "[ . 1]" 1
1439 2 41 LYS H 2 41 LYS HD2 2.577 . 3.407 3.098 1.974 3.723 0.316 10 0 "[ . 1]" 1
1440 2 43 MET H 2 43 MET HA 2.969 . 4.071 2.780 2.720 2.830 . 0 0 "[ . 1]" 1
1441 2 22 ALA HA 2 28 VAL MG2 2.600 . 3.445 3.133 2.799 3.269 . 0 0 "[ . 1]" 1
1442 2 42 LEU MD2 2 43 MET H 2.996 . 4.118 3.394 2.966 3.671 . 0 0 "[ . 1]" 1
1443 2 51 GLY HA2 2 52 LEU H 2.594 . 3.435 2.571 2.427 2.740 . 0 0 "[ . 1]" 1
1444 2 52 LEU H 2 52 LEU HG 2.398 . 3.117 2.532 2.362 2.681 . 0 0 "[ . 1]" 1
1445 2 42 LEU HB3 2 43 MET H 2.905 . 3.960 2.584 2.133 2.998 . 0 0 "[ . 1]" 1
1446 2 36 HIS HA 2 36 HIS HD2 2.758 . 3.709 3.539 2.539 3.836 0.127 2 0 "[ . 1]" 1
1447 2 36 HIS HB2 2 36 HIS HD2 2.881 . 3.919 3.264 2.836 3.956 0.037 3 0 "[ . 1]" 1
1448 2 52 LEU H 2 53 SER H 3.350 . 4.752 4.366 4.040 4.500 . 0 0 "[ . 1]" 1
1449 2 47 CYS HA 2 52 LEU H 2.830 . 3.831 1.980 1.836 2.171 . 0 0 "[ . 1]" 1
1450 2 8 GLU HA 2 10 VAL H 3.410 . 4.863 3.937 3.184 5.149 0.286 9 0 "[ . 1]" 1
1451 2 10 VAL H 2 10 VAL HA 2.562 . 3.383 2.812 2.227 2.942 . 0 0 "[ . 1]" 1
1452 2 9 GLY HA2 2 10 VAL H 2.081 . 2.622 2.736 2.235 3.182 0.560 9 1 "[ . +1]" 1
1453 2 10 VAL H 2 10 VAL HB 2.336 . 3.018 2.865 2.604 3.253 0.235 5 0 "[ . 1]" 1
1454 2 48 GLU H 2 49 ARG H 2.522 . 3.317 2.602 2.105 2.755 . 0 0 "[ . 1]" 1
1455 2 47 CYS HA 2 48 GLU H 3.198 . 4.476 3.551 3.465 3.586 . 0 0 "[ . 1]" 1
1456 2 47 CYS HB2 2 48 GLU H 2.693 . 3.599 2.729 1.853 3.630 0.031 10 0 "[ . 1]" 1
1457 2 48 GLU H 2 48 GLU HB2 2.313 . 2.982 2.826 2.693 2.893 . 0 0 "[ . 1]" 1
1458 2 48 GLU H 2 48 GLU HA 2.444 . 3.191 2.776 2.744 2.899 . 0 0 "[ . 1]" 1
1459 2 48 GLU H 2 48 GLU HG3 2.640 . 3.511 1.850 1.752 2.064 0.017 7 0 "[ . 1]" 1
1460 2 46 TYR H 2 48 GLU H 3.380 . 4.808 4.624 3.984 4.802 . 0 0 "[ . 1]" 1
1461 2 44 LYS H 2 54 MET HG2 3.324 . 4.705 4.167 3.549 4.725 0.020 3 0 "[ . 1]" 1
1462 2 22 ALA H 2 85 VAL H 3.223 . 4.522 3.175 2.981 3.433 . 0 0 "[ . 1]" 1
1463 2 84 ASP HA 2 85 VAL H 2.088 . 2.633 2.058 2.006 2.103 . 0 0 "[ . 1]" 1
1464 2 23 GLY HA3 2 85 VAL H 3.208 . 4.494 4.381 4.060 4.541 0.047 2 0 "[ . 1]" 1
1465 2 85 VAL H 2 85 VAL HB 2.555 . 3.371 2.503 2.447 2.559 . 0 0 "[ . 1]" 1
1466 2 85 VAL H 2 85 VAL MG1 2.833 . 3.836 3.803 3.779 3.825 . 0 0 "[ . 1]" 1
1467 2 85 VAL H 2 85 VAL MG2 2.587 . 3.424 2.832 2.704 2.959 . 0 0 "[ . 1]" 1
1468 2 79 ASP H 2 79 ASP HB2 2.084 . 2.627 2.125 2.051 2.262 . 0 0 "[ . 1]" 1
1469 2 78 GLU HG3 2 79 ASP H 3.133 . 4.360 4.075 3.573 4.433 0.073 10 0 "[ . 1]" 1
1470 2 78 GLU HG2 2 79 ASP H 3.131 . 4.357 3.595 2.860 4.374 0.017 10 0 "[ . 1]" 1
1471 2 78 GLU HB3 2 79 ASP H 2.451 . 3.202 2.218 1.911 2.929 . 0 0 "[ . 1]" 1
1472 2 78 GLU HB2 2 79 ASP H 2.700 . 3.611 3.620 3.473 3.927 0.316 10 0 "[ . 1]" 1
1473 2 17 ILE MG 2 79 ASP H 3.043 . 4.200 3.148 2.559 3.602 . 0 0 "[ . 1]" 1
1474 2 17 ILE MD 2 79 ASP H 3.257 . 4.583 3.202 2.247 3.710 . 0 0 "[ . 1]" 1
1475 2 17 ILE HB 2 79 ASP H 3.411 . 4.865 3.343 2.403 3.685 . 0 0 "[ . 1]" 1
1476 2 35 ARG H 2 35 ARG HA 2.806 . 3.790 2.809 2.568 2.929 . 0 0 "[ . 1]" 1
1477 2 34 LYS HG3 2 35 ARG H 3.241 . 4.554 3.443 2.225 4.586 0.032 2 0 "[ . 1]" 1
1478 2 46 TYR HB3 2 59 PHE HZ 2.896 . 3.944 2.555 2.266 2.786 . 0 0 "[ . 1]" 1
1479 2 46 TYR HB2 2 59 PHE HZ 2.780 . 3.746 2.531 2.131 2.767 . 0 0 "[ . 1]" 1
1480 2 46 TYR HB2 2 46 TYR QD 2.345 . 3.033 2.722 2.659 2.765 . 0 0 "[ . 1]" 1
1481 2 16 HIS HA 2 17 ILE H 2.352 . 3.043 2.108 2.042 2.184 . 0 0 "[ . 1]" 1
1482 2 16 HIS HB3 2 17 ILE H 2.994 . 4.115 2.889 2.610 3.046 . 0 0 "[ . 1]" 1
1483 2 16 HIS HB2 2 17 ILE H 2.811 . 3.799 3.902 3.815 3.982 0.183 2 0 "[ . 1]" 1
1484 2 17 ILE H 2 17 ILE HG12 2.943 . 4.026 2.488 2.377 2.580 . 0 0 "[ . 1]" 1
1485 2 17 ILE H 2 17 ILE HG13 2.811 . 3.799 3.440 2.986 3.828 0.029 10 0 "[ . 1]" 1
1486 2 17 ILE H 2 17 ILE MG 2.692 . 3.598 2.991 2.691 3.123 . 0 0 "[ . 1]" 1
1487 2 17 ILE H 2 17 ILE MD 3.243 . 4.558 4.041 3.959 4.100 . 0 0 "[ . 1]" 1
1488 2 48 GLU HA 2 48 GLU HG3 2.480 . 3.249 3.345 3.138 3.462 0.213 5 0 "[ . 1]" 1
1489 2 56 GLN HA 2 56 GLN HG2 2.253 . 2.888 2.277 2.111 2.542 . 0 0 "[ . 1]" 1
1490 2 16 HIS H 2 16 HIS HB3 2.640 . 3.511 3.696 3.609 3.746 0.235 9 0 "[ . 1]" 1
1491 2 47 CYS H 2 57 ILE MD 3.387 . 4.821 3.417 2.889 3.926 . 0 0 "[ . 1]" 1
1492 2 46 TYR H 2 47 CYS H 2.530 . 3.330 2.885 2.665 3.061 . 0 0 "[ . 1]" 1
1493 2 46 TYR HA 2 47 CYS H 2.949 . 4.036 3.559 3.418 3.647 . 0 0 "[ . 1]" 1
1494 2 47 CYS H 2 47 CYS HA 2.653 . 3.533 2.783 2.686 2.877 . 0 0 "[ . 1]" 1
1495 2 46 TYR HB3 2 47 CYS H 2.609 . 3.460 2.746 2.385 3.132 . 0 0 "[ . 1]" 1
1496 2 64 GLN HA 2 64 GLN HG3 2.631 . 3.496 3.054 2.111 3.663 0.167 2 0 "[ . 1]" 1
1497 2 47 CYS H 2 47 CYS HB2 2.466 . 3.226 2.551 2.221 2.874 . 0 0 "[ . 1]" 1
1498 2 54 MET HA 2 54 MET HB3 2.373 . 3.077 2.973 2.519 3.031 . 0 0 "[ . 1]" 1
1499 2 44 LYS HA 2 54 MET HB3 2.853 . 3.870 3.692 2.883 3.943 0.073 8 0 "[ . 1]" 1
1500 2 25 ASP H 2 25 ASP HA 2.495 . 3.273 2.612 2.271 2.811 . 0 0 "[ . 1]" 1
1501 2 64 GLN HG3 2 65 PRO HD3 2.978 . 4.086 2.959 2.241 3.621 . 0 0 "[ . 1]" 1
1502 2 24 GLN HB3 2 25 ASP H 3.082 . 4.269 4.240 3.655 4.390 0.121 3 0 "[ . 1]" 1
1503 2 24 GLN HB2 2 25 ASP H 2.948 . 4.035 3.402 2.803 3.943 . 0 0 "[ . 1]" 1
1504 2 71 THR HB 2 73 ALA H 2.948 . 4.034 3.543 2.991 4.025 . 0 0 "[ . 1]" 1
1505 2 16 HIS HB3 2 32 LYS HG3 3.101 . 4.303 3.237 2.713 3.558 . 0 0 "[ . 1]" 1
1506 2 72 PRO HA 2 75 LEU H 3.249 . 4.569 3.584 3.326 3.706 . 0 0 "[ . 1]" 1
1507 2 75 LEU H 2 76 GLU HA 3.065 . 4.239 4.375 4.346 4.387 0.148 1 0 "[ . 1]" 1
1508 2 16 HIS HB2 2 32 LYS HG3 3.076 . 4.259 4.243 4.068 4.344 0.085 5 0 "[ . 1]" 1
1509 2 16 HIS HB2 2 32 LYS HG2 3.069 . 4.246 4.192 3.770 4.308 0.062 4 0 "[ . 1]" 1
1510 2 75 LEU H 2 75 LEU HA 2.677 . 3.573 2.898 2.883 2.928 . 0 0 "[ . 1]" 1
1511 2 75 LEU H 2 75 LEU HG 2.311 . 2.979 2.293 2.115 2.603 . 0 0 "[ . 1]" 1
1512 2 75 LEU H 2 75 LEU HB2 2.584 . 3.419 2.625 2.444 2.910 . 0 0 "[ . 1]" 1
1513 2 36 HIS HB3 2 73 ALA MB 2.954 . 4.045 3.866 3.337 4.093 0.048 3 0 "[ . 1]" 1
1514 2 36 HIS HB2 2 36 HIS HD1 2.978 . 4.087 3.250 2.451 3.696 . 0 0 "[ . 1]" 1
1515 2 24 GLN HA 2 25 ASP H 2.784 . 3.753 3.289 2.972 3.541 . 0 0 "[ . 1]" 1
1516 2 23 GLY HA2 2 25 ASP H 2.854 . 3.872 3.811 3.441 3.959 0.087 7 0 "[ . 1]" 1
1517 2 14 ASN HB2 2 36 HIS HB3 3.088 . 4.280 4.342 4.313 4.421 0.141 3 0 "[ . 1]" 1
1518 2 73 ALA H 2 75 LEU H 3.192 . 4.466 4.072 3.760 4.229 . 0 0 "[ . 1]" 1
1519 2 71 THR HA 2 73 ALA H 3.404 . 4.853 4.341 3.819 4.772 . 0 0 "[ . 1]" 1
1520 2 72 PRO HA 2 73 ALA H 3.310 . 4.680 3.549 3.476 3.598 . 0 0 "[ . 1]" 1
1521 2 44 LYS HA 2 47 CYS HB3 2.740 . 3.679 3.313 2.120 3.948 0.269 3 0 "[ . 1]" 1
1522 2 47 CYS HA 2 47 CYS HB3 2.454 . 3.207 2.660 2.323 3.020 . 0 0 "[ . 1]" 1
1523 2 36 HIS HA 2 73 ALA H 3.254 . 4.577 3.843 3.384 4.012 . 0 0 "[ . 1]" 1
1524 2 47 CYS HA 2 47 CYS HB2 2.589 . 3.427 2.749 2.299 3.017 . 0 0 "[ . 1]" 1
1525 2 72 PRO HB2 2 73 ALA H 2.947 . 4.033 2.560 2.107 2.923 . 0 0 "[ . 1]" 1
1526 2 80 GLU HA 2 80 GLU HB3 2.479 . 3.247 2.355 2.322 2.420 . 0 0 "[ . 1]" 1
1527 2 80 GLU HB3 2 80 GLU HG2 2.350 . 3.040 2.486 2.383 2.565 . 0 0 "[ . 1]" 1
1528 2 25 ASP H 2 27 SER H 3.063 . 4.235 4.242 3.905 4.346 0.111 2 0 "[ . 1]" 1
1529 2 26 GLY HA2 2 27 SER H 2.803 . 3.785 3.058 2.692 3.504 . 0 0 "[ . 1]" 1
1530 2 23 GLY H 2 27 SER H 3.155 . 4.399 4.133 3.597 4.453 0.054 6 0 "[ . 1]" 1
1531 2 27 SER H 2 28 VAL H 3.037 . 4.190 4.164 3.937 4.243 0.053 1 0 "[ . 1]" 1
1532 2 77 MET H 2 77 MET HB3 2.840 . 3.848 3.569 3.547 3.590 . 0 0 "[ . 1]" 1
1533 2 73 ALA HA 2 77 MET H 3.383 . 4.813 3.638 2.872 3.987 . 0 0 "[ . 1]" 1
1534 2 75 LEU H 2 77 MET H 3.198 . 4.477 3.807 3.687 3.964 . 0 0 "[ . 1]" 1
1535 2 77 MET H 2 77 MET HA 2.687 . 3.589 2.807 2.761 2.872 . 0 0 "[ . 1]" 1
1536 2 76 GLU HA 2 77 MET H 2.589 . 3.427 2.805 2.648 2.910 . 0 0 "[ . 1]" 1
1537 2 79 ASP HA 2 80 GLU H 2.453 . 3.205 2.131 2.098 2.176 . 0 0 "[ . 1]" 1
1538 2 80 GLU H 2 80 GLU HA 2.437 . 3.179 2.288 2.268 2.327 . 0 0 "[ . 1]" 1
1539 2 80 GLU H 2 80 GLU HG2 3.265 . 4.598 3.354 3.218 3.525 . 0 0 "[ . 1]" 1
1540 2 17 ILE HB 2 80 GLU H 3.247 . 4.565 3.758 3.240 3.982 . 0 0 "[ . 1]" 1
1541 2 19 LEU MD2 2 80 GLU H 3.288 . 4.640 4.207 3.915 4.509 . 0 0 "[ . 1]" 1
1542 2 67 ASN HB3 2 67 ASN HD21 3.241 . 4.554 3.107 2.120 3.474 . 0 0 "[ . 1]" 1
1543 2 67 ASN HB2 2 67 ASN HD21 2.847 . 3.860 2.400 2.121 3.516 . 0 0 "[ . 1]" 1
1544 2 67 ASN HB2 2 67 ASN HD22 2.857 . 3.877 3.559 3.438 4.046 0.169 4 0 "[ . 1]" 1
1545 2 43 MET HA 2 59 PHE HZ 2.628 . 3.491 2.406 2.143 2.569 . 0 0 "[ . 1]" 1
1546 2 39 LEU H 2 40 SER H 2.723 . 3.650 2.721 2.583 3.320 . 0 0 "[ . 1]" 1
1547 2 40 SER H 2 41 LYS H 2.811 . 3.799 2.794 2.648 2.981 . 0 0 "[ . 1]" 1
1548 2 40 SER H 2 40 SER HB2 3.320 . 4.698 2.647 2.047 3.405 . 0 0 "[ . 1]" 1
1549 2 43 MET HA 2 43 MET ME 2.980 . 4.090 4.128 3.917 4.219 0.129 2 0 "[ . 1]" 1
1550 2 43 MET HA 2 43 MET HG2 2.529 . 3.328 2.641 2.267 3.338 0.010 5 0 "[ . 1]" 1
1551 2 38 PRO HB2 2 40 SER H 2.584 . 3.419 2.950 2.844 3.046 . 0 0 "[ . 1]" 1
1552 2 42 LEU MD2 2 43 MET HA 2.485 . 3.257 3.080 2.694 3.303 0.046 3 0 "[ . 1]" 1
1553 2 55 ARG HB2 2 56 GLN H 3.217 . 4.510 3.414 3.262 3.565 . 0 0 "[ . 1]" 1
1554 2 56 GLN H 2 57 ILE MG 3.331 . 4.718 4.745 4.566 4.835 0.117 3 0 "[ . 1]" 1
1555 2 55 ARG H 2 56 GLN H 2.708 . 3.624 2.323 1.867 2.685 . 0 0 "[ . 1]" 1
1556 2 56 GLN H 2 56 GLN HA 2.599 . 3.443 2.812 2.766 2.850 . 0 0 "[ . 1]" 1
1557 2 55 ARG HA 2 56 GLN H 2.786 . 3.756 3.504 3.474 3.550 . 0 0 "[ . 1]" 1
1558 2 56 GLN H 2 56 GLN HB2 2.584 . 3.419 2.077 2.017 2.248 . 0 0 "[ . 1]" 1
1559 2 55 ARG HB3 2 56 GLN H 3.162 . 4.412 4.220 4.107 4.333 . 0 0 "[ . 1]" 1
1560 2 53 SER HB2 2 56 GLN H 3.236 . 4.545 2.090 1.958 2.246 . 0 0 "[ . 1]" 1
1561 2 55 ARG HG3 2 56 GLN H 3.065 . 4.239 2.387 2.079 2.655 . 0 0 "[ . 1]" 1
1562 2 56 GLN H 2 57 ILE HG12 3.004 . 4.132 3.838 3.685 3.973 . 0 0 "[ . 1]" 1
1563 2 12 THR H 2 13 GLU H 3.253 . 4.576 3.234 1.805 4.512 0.125 5 0 "[ . 1]" 1
1564 2 10 VAL HA 2 12 THR H 3.132 . 4.358 4.486 4.396 4.558 0.200 1 0 "[ . 1]" 1
1565 2 11 LYS HB3 2 12 THR H 3.020 . 4.160 2.735 2.113 4.176 0.016 6 0 "[ . 1]" 1
1566 2 12 THR H 2 12 THR MG 2.899 . 3.949 2.721 2.310 2.856 . 0 0 "[ . 1]" 1
1567 2 10 VAL MG2 2 12 THR H 3.367 . 4.784 4.048 2.845 4.809 0.025 9 0 "[ . 1]" 1
1568 2 56 GLN H 2 57 ILE H 2.230 . 2.852 2.683 2.491 2.872 0.020 4 0 "[ . 1]" 1
1569 2 57 ILE H 2 57 ILE HA 2.665 . 3.553 2.850 2.818 2.891 . 0 0 "[ . 1]" 1
1570 2 56 GLN HA 2 57 ILE H 2.677 . 3.573 3.547 3.489 3.582 0.009 6 0 "[ . 1]" 1
1571 2 56 GLN HB2 2 57 ILE H 2.952 . 4.041 3.100 2.979 3.251 . 0 0 "[ . 1]" 1
1572 2 57 ILE H 2 57 ILE HG12 2.318 . 2.989 1.685 1.580 1.761 0.067 4 0 "[ . 1]" 1
1573 2 57 ILE H 2 57 ILE MG 2.672 . 3.565 2.848 2.759 3.039 . 0 0 "[ . 1]" 1
1574 2 53 SER H 2 53 SER HB3 2.583 . 3.417 3.486 3.370 3.701 0.284 4 0 "[ . 1]" 1
1575 2 53 SER H 2 87 GLN HE21 3.201 . 4.482 4.278 3.839 4.525 0.043 5 0 "[ . 1]" 1
1576 2 53 SER H 2 56 GLN HB2 3.228 . 4.530 3.081 2.569 3.358 . 0 0 "[ . 1]" 1
1577 2 52 LEU HB3 2 53 SER H 2.589 . 3.427 2.744 2.087 3.239 . 0 0 "[ . 1]" 1
1578 2 18 ASN HB3 2 18 ASN HD21 2.836 . 3.842 3.074 2.201 3.531 . 0 0 "[ . 1]" 1
1579 2 18 ASN HB2 2 18 ASN HD21 3.163 . 4.414 2.835 2.122 3.554 . 0 0 "[ . 1]" 1
1580 2 18 ASN HB3 2 18 ASN HD22 2.863 . 3.888 3.847 3.442 4.059 0.171 9 0 "[ . 1]" 1
1581 2 18 ASN HB2 2 18 ASN HD22 3.096 . 4.294 3.743 3.430 4.093 . 0 0 "[ . 1]" 1
1582 2 53 SER HB2 2 55 ARG H 3.358 . 4.768 3.133 2.620 3.690 . 0 0 "[ . 1]" 1
1583 2 31 PHE HA 2 31 PHE HB3 2.424 . 3.159 2.545 2.518 2.581 . 0 0 "[ . 1]" 1
1584 2 55 ARG H 2 57 ILE H 3.311 . 4.682 3.982 2.568 4.416 . 0 0 "[ . 1]" 1
1585 2 55 ARG H 2 55 ARG HA 2.527 . 3.325 2.851 2.775 2.909 . 0 0 "[ . 1]" 1
1586 2 31 PHE HB2 2 31 PHE QD 2.280 . 2.930 2.721 2.658 2.754 . 0 0 "[ . 1]" 1
1587 2 31 PHE HA 2 31 PHE HB2 2.505 . 3.289 3.036 3.026 3.049 . 0 0 "[ . 1]" 1
1588 2 75 LEU MD2 2 76 GLU H 3.398 . 4.841 4.239 4.166 4.338 . 0 0 "[ . 1]" 1
1589 2 84 ASP HA 2 84 ASP HB3 2.129 . 2.695 2.811 2.731 2.904 0.209 10 0 "[ . 1]" 1
1590 2 76 GLU H 2 76 GLU HB3 2.991 . 4.109 4.085 3.809 4.158 0.049 10 0 "[ . 1]" 1
1591 2 60 ARG HB3 2 84 ASP HB3 2.666 . 3.555 3.265 2.669 3.563 0.008 4 0 "[ . 1]" 1
1592 2 19 LEU HB3 2 31 PHE HB2 2.609 . 3.460 2.422 2.254 2.539 . 0 0 "[ . 1]" 1
1593 2 75 LEU HA 2 76 GLU H 2.879 . 3.915 3.357 2.847 3.485 . 0 0 "[ . 1]" 1
1594 2 73 ALA HA 2 76 GLU H 2.897 . 3.946 3.145 2.896 3.537 . 0 0 "[ . 1]" 1
1595 2 76 GLU H 2 76 GLU HA 2.193 . 2.794 2.249 2.216 2.288 . 0 0 "[ . 1]" 1
1596 2 75 LEU HB2 2 76 GLU H 3.151 . 4.392 3.128 2.777 4.113 . 0 0 "[ . 1]" 1
1597 2 73 ALA MB 2 76 GLU H 3.257 . 4.583 4.203 4.125 4.385 . 0 0 "[ . 1]" 1
1598 2 53 SER HB2 2 55 ARG HD3 3.030 . 4.178 4.097 3.798 4.207 0.029 10 0 "[ . 1]" 1
1599 2 82 THR H 2 82 THR HA 2.957 . 4.050 2.948 2.934 2.958 . 0 0 "[ . 1]" 1
1600 2 81 ASP HA 2 82 THR H 2.195 . 2.797 2.358 2.177 2.458 . 0 0 "[ . 1]" 1
1601 2 82 THR H 2 82 THR HB 2.412 . 3.139 2.842 2.738 2.962 . 0 0 "[ . 1]" 1
1602 2 81 ASP HB3 2 82 THR H 2.995 . 4.117 2.734 2.380 3.933 . 0 0 "[ . 1]" 1
1603 2 82 THR H 2 82 THR MG 2.899 . 3.949 3.917 3.866 3.957 0.008 1 0 "[ . 1]" 1
1604 2 81 ASP H 2 82 THR H 3.163 . 4.413 4.572 4.525 4.594 0.181 6 0 "[ . 1]" 1
1605 2 60 ARG HB3 2 60 ARG HD2 2.510 . 3.298 2.992 2.516 3.433 0.135 10 0 "[ . 1]" 1
1606 2 60 ARG HD2 2 60 ARG HG3 2.329 . 3.007 2.559 2.359 2.796 . 0 0 "[ . 1]" 1
1607 2 60 ARG HD2 2 60 ARG HG2 2.445 . 3.192 2.627 2.209 3.009 . 0 0 "[ . 1]" 1
1608 2 58 ARG HB2 2 58 ARG HD3 2.895 . 3.943 3.688 3.600 3.730 . 0 0 "[ . 1]" 1
1609 2 46 TYR QD 2 49 ARG HD3 2.821 . 3.815 2.948 1.789 3.526 0.038 9 0 "[ . 1]" 1
1610 2 46 TYR HA 2 49 ARG HD3 2.584 . 3.419 3.009 1.875 3.545 0.126 4 0 "[ . 1]" 1
1611 2 49 ARG H 2 50 GLN H 2.428 . 3.165 2.497 2.390 2.646 . 0 0 "[ . 1]" 1
1612 2 29 VAL MG2 2 49 ARG HD3 2.724 . 3.651 3.456 3.001 3.683 0.032 1 0 "[ . 1]" 1
1613 2 29 VAL MG1 2 49 ARG HD3 2.530 . 3.330 2.913 2.663 3.305 . 0 0 "[ . 1]" 1
1614 2 17 ILE MD 2 35 ARG HD3 2.921 . 3.988 2.971 2.495 3.728 . 0 0 "[ . 1]" 1
1615 2 58 ARG HA 2 58 ARG HD2 2.670 . 3.561 3.659 3.595 3.796 0.235 4 0 "[ . 1]" 1
1616 2 49 ARG HB2 2 49 ARG HD2 2.565 . 3.387 2.540 2.038 3.627 0.240 9 0 "[ . 1]" 1
1617 2 46 TYR QD 2 49 ARG HD2 2.812 . 3.801 2.527 2.175 3.293 . 0 0 "[ . 1]" 1
1618 2 50 GLN H 2 52 LEU MD1 3.106 . 4.312 2.886 2.759 2.974 . 0 0 "[ . 1]" 1
1619 2 47 CYS HA 2 50 GLN H 3.295 . 4.652 3.302 3.083 3.626 . 0 0 "[ . 1]" 1
1620 2 29 VAL MG2 2 49 ARG HD2 2.564 . 3.386 3.390 3.265 3.471 0.085 8 0 "[ . 1]" 1
1621 2 14 ASN HB3 2 14 ASN HD21 3.036 . 4.188 2.911 2.126 3.472 . 0 0 "[ . 1]" 1
1622 2 14 ASN HB2 2 14 ASN HD21 3.109 . 4.317 2.614 2.116 3.488 . 0 0 "[ . 1]" 1
1623 2 45 ALA MB 2 49 ARG HD3 2.615 . 3.470 3.668 3.610 3.765 0.295 2 0 "[ . 1]" 1
1624 2 35 ARG HD3 2 35 ARG HG3 2.262 . 2.902 2.514 2.325 2.981 0.079 5 0 "[ . 1]" 1
1625 2 44 LYS HA 2 44 LYS HE2 2.717 . 3.640 3.589 3.140 3.677 0.037 6 0 "[ . 1]" 1
1626 2 38 PRO HD3 2 41 LYS HE3 3.001 . 4.127 4.180 4.155 4.219 0.092 10 0 "[ . 1]" 1
1627 2 64 GLN HE22 2 64 GLN HG2 2.764 . 3.719 3.678 3.424 4.003 0.284 10 0 "[ . 1]" 1
1628 2 86 PHE HA 2 86 PHE HB3 2.368 . 3.069 2.582 2.396 2.684 . 0 0 "[ . 1]" 1
1629 2 61 PHE HB3 2 61 PHE QD 2.363 . 3.061 2.306 2.260 2.357 . 0 0 "[ . 1]" 1
1630 2 44 LYS HA 2 44 LYS HE3 2.553 . 3.368 3.417 3.330 3.521 0.153 2 0 "[ . 1]" 1
1631 2 20 LYS HB2 2 20 LYS HE3 2.800 . 3.780 1.938 1.754 2.438 0.066 10 0 "[ . 1]" 1
1632 2 36 HIS H 2 37 THR H 2.477 . 3.244 2.833 2.754 2.924 . 0 0 "[ . 1]" 1
1633 2 36 HIS H 2 36 HIS HB3 2.826 . 3.824 2.262 2.033 2.548 . 0 0 "[ . 1]" 1
1634 2 35 ARG H 2 36 HIS H 2.837 . 3.843 2.753 2.373 3.383 . 0 0 "[ . 1]" 1
1635 2 20 LYS HE2 2 80 GLU HA 2.504 . 3.288 3.126 2.530 3.355 0.067 1 0 "[ . 1]" 1
1636 2 20 LYS HB2 2 20 LYS HE2 3.037 . 4.190 2.502 2.294 2.713 . 0 0 "[ . 1]" 1
1637 2 34 LYS HB2 2 34 LYS HE2 2.956 . 4.048 3.160 1.921 3.669 . 0 0 "[ . 1]" 1
1638 2 61 PHE HB2 2 61 PHE QD 2.392 . 3.107 2.516 2.411 2.593 . 0 0 "[ . 1]" 1
1639 2 35 ARG HA 2 36 HIS H 3.354 . 4.760 3.549 3.525 3.569 . 0 0 "[ . 1]" 1
1640 2 86 PHE HA 2 86 PHE HB2 2.462 . 3.219 3.005 2.972 3.031 . 0 0 "[ . 1]" 1
1641 2 79 ASP HA 2 79 ASP HB3 2.210 . 2.821 2.839 2.654 2.940 0.119 5 0 "[ . 1]" 1
1642 2 59 PHE HB3 2 66 ILE MD 2.637 . 3.507 1.940 1.768 2.280 . 0 0 "[ . 1]" 1
1643 2 59 PHE HA 2 59 PHE HB3 2.649 . 3.526 2.548 2.524 2.582 . 0 0 "[ . 1]" 1
1644 2 8 GLU HA 2 9 GLY H 2.402 . 3.123 2.558 2.227 3.387 0.264 5 0 "[ . 1]" 1
1645 2 9 GLY H 2 9 GLY HA2 2.395 . 3.112 2.893 2.622 2.935 . 0 0 "[ . 1]" 1
1646 2 22 ALA H 2 83 ILE H 3.281 . 4.627 2.991 2.820 3.363 . 0 0 "[ . 1]" 1
1647 2 9 GLY H 2 10 VAL H 3.324 . 4.705 2.926 2.339 4.090 . 0 0 "[ . 1]" 1
1648 2 67 ASN HA 2 67 ASN HB2 2.351 . 3.042 2.985 2.956 3.012 . 0 0 "[ . 1]" 1
1649 2 21 VAL HA 2 22 ALA H 2.250 . 2.883 2.187 2.135 2.245 . 0 0 "[ . 1]" 1
1650 2 22 ALA H 2 83 ILE HB 3.272 . 4.611 4.121 3.984 4.338 . 0 0 "[ . 1]" 1
1651 2 22 ALA H 2 22 ALA MB 2.414 . 3.143 2.229 2.179 2.318 . 0 0 "[ . 1]" 1
1652 2 22 ALA H 2 82 THR MG 2.836 . 3.842 2.660 2.437 2.854 . 0 0 "[ . 1]" 1
1653 2 25 ASP HA 2 25 ASP HB3 2.317 . 2.988 2.835 2.368 3.016 0.028 5 0 "[ . 1]" 1
1654 2 21 VAL MG1 2 22 ALA H 2.691 . 3.596 2.585 2.486 2.703 . 0 0 "[ . 1]" 1
1655 2 22 ALA HA 2 23 GLY H 2.114 . 2.673 2.177 2.139 2.239 . 0 0 "[ . 1]" 1
1656 2 23 GLY H 2 28 VAL HA 2.925 . 3.995 3.241 3.047 3.673 . 0 0 "[ . 1]" 1
1657 2 23 GLY H 2 23 GLY HA3 2.676 . 3.571 2.408 2.352 2.547 . 0 0 "[ . 1]" 1
1658 2 23 GLY H 2 23 GLY HA2 2.444 . 3.191 2.931 2.910 2.957 . 0 0 "[ . 1]" 1
1659 2 18 ASN HB2 2 80 GLU HG2 2.824 . 3.821 3.862 3.796 3.893 0.072 9 0 "[ . 1]" 1
1660 2 50 GLN HA 2 51 GLY H 2.949 . 4.036 3.427 3.326 3.475 . 0 0 "[ . 1]" 1
1661 2 51 GLY H 2 52 LEU H 2.378 . 3.085 2.429 2.254 2.542 . 0 0 "[ . 1]" 1
1662 2 51 GLY H 2 51 GLY HA2 2.151 . 2.729 2.370 2.325 2.427 . 0 0 "[ . 1]" 1
1663 2 68 GLU HA 2 68 GLU HG3 2.510 . 3.298 3.367 2.990 3.458 0.160 3 0 "[ . 1]" 1
1664 2 43 MET ME 2 68 GLU HG3 3.089 . 4.282 3.790 3.548 4.045 . 0 0 "[ . 1]" 1
1665 2 68 GLU HG3 2 69 THR MG 2.757 . 3.707 3.746 3.670 3.832 0.125 10 0 "[ . 1]" 1
1666 2 68 GLU HA 2 68 GLU HG2 2.433 . 3.173 3.228 3.153 3.316 0.143 7 0 "[ . 1]" 1
1667 2 43 MET ME 2 68 GLU HG2 2.977 . 4.085 3.422 2.784 4.276 0.191 2 0 "[ . 1]" 1
1668 2 48 GLU HA 2 48 GLU HG2 2.282 . 2.933 2.807 2.661 2.937 0.004 3 0 "[ . 1]" 1
1669 2 61 PHE QD 2 62 ASP H 2.816 . 3.807 2.581 2.181 3.041 . 0 0 "[ . 1]" 1
1670 2 80 GLU HA 2 80 GLU HG3 2.495 . 3.273 3.328 3.285 3.358 0.085 4 0 "[ . 1]" 1
1671 2 62 ASP H 2 62 ASP HA 2.189 . 2.788 2.668 2.645 2.687 . 0 0 "[ . 1]" 1
1672 2 62 ASP H 2 62 ASP HB2 2.787 . 3.758 2.282 2.091 2.711 . 0 0 "[ . 1]" 1
1673 2 50 GLN HB3 2 50 GLN HE21 3.120 . 4.336 3.773 3.393 4.080 . 0 0 "[ . 1]" 1
1674 2 29 VAL MG2 2 50 GLN HE21 3.336 . 4.727 4.438 4.311 4.632 . 0 0 "[ . 1]" 1
1675 2 53 SER HB3 2 56 GLN HG3 2.863 . 3.888 3.261 2.832 3.587 . 0 0 "[ . 1]" 1
1676 2 53 SER HB2 2 56 GLN HG3 2.749 . 3.694 2.388 1.905 2.864 . 0 0 "[ . 1]" 1
1677 2 29 VAL MG2 2 50 GLN HE22 3.237 . 4.547 4.633 4.585 4.695 0.148 10 0 "[ . 1]" 1
1678 2 87 GLN HA 2 87 GLN HG3 2.643 . 3.516 3.192 3.146 3.223 . 0 0 "[ . 1]" 1
1679 2 30 GLN HA 2 30 GLN HG3 2.499 . 3.280 2.791 2.658 3.249 . 0 0 "[ . 1]" 1
1680 2 30 GLN HA 2 30 GLN HG2 2.800 . 3.780 2.262 2.072 2.329 . 0 0 "[ . 1]" 1
1681 2 87 GLN HA 2 87 GLN HG2 2.640 . 3.511 2.203 2.164 2.233 . 0 0 "[ . 1]" 1
1682 2 58 ARG HD2 2 87 GLN HG2 3.092 . 4.287 4.456 4.392 4.494 0.207 6 0 "[ . 1]" 1
1683 2 71 THR H 2 75 LEU HG 3.273 . 4.612 3.673 3.262 3.962 . 0 0 "[ . 1]" 1
1684 2 87 GLN HA 2 88 GLN HG2 3.009 . 4.141 4.090 3.844 4.156 0.015 6 0 "[ . 1]" 1
1685 2 20 LYS HG3 2 30 GLN HG2 2.244 . 2.874 1.949 1.867 2.148 . 0 0 "[ . 1]" 1
1686 2 71 THR H 2 71 THR MG 2.614 . 3.468 2.267 1.891 3.111 . 0 0 "[ . 1]" 1
1687 2 71 THR H 2 74 GLN H 3.093 . 4.289 4.146 3.924 4.673 0.384 4 0 "[ . 1]" 1
1688 2 70 ASP HB2 2 71 THR H 3.016 . 4.153 3.802 2.160 4.272 0.119 6 0 "[ . 1]" 1
1689 2 25 ASP H 2 26 GLY H 2.344 . 3.031 2.842 2.716 2.937 . 0 0 "[ . 1]" 1
1690 2 25 ASP HA 2 26 GLY H 2.758 . 3.709 3.223 2.791 3.547 . 0 0 "[ . 1]" 1
1691 2 26 GLY H 2 26 GLY HA3 2.341 . 3.026 2.684 2.346 2.908 . 0 0 "[ . 1]" 1
1692 2 26 GLY H 2 26 GLY HA2 2.205 . 2.813 2.523 2.297 2.932 0.119 3 0 "[ . 1]" 1
1693 2 25 ASP HB2 2 26 GLY H 3.310 . 4.680 4.280 3.860 4.582 . 0 0 "[ . 1]" 1
1694 2 64 GLN HG2 2 65 PRO HD3 2.682 . 3.581 3.685 3.627 3.748 0.167 9 0 "[ . 1]" 1
1695 2 30 GLN H 2 30 GLN HG3 2.789 . 3.762 3.780 3.702 3.815 0.053 7 0 "[ . 1]" 1
1696 2 6 PRO HB3 2 9 GLY HA2 2.753 . 3.701 3.811 3.730 3.868 0.167 7 0 "[ . 1]" 1
1697 2 38 PRO HB3 2 71 THR MG 2.705 . 3.619 3.264 2.866 3.356 . 0 0 "[ . 1]" 1
1698 2 53 SER HB2 2 56 GLN HB2 3.058 . 4.227 1.940 1.868 2.000 0.021 6 0 "[ . 1]" 1
1699 2 45 ALA HA 2 48 GLU HB2 2.397 . 3.115 3.082 2.714 3.159 0.044 9 0 "[ . 1]" 1
1700 2 74 GLN HA 2 74 GLN HB3 2.252 . 2.886 2.748 2.611 2.791 . 0 0 "[ . 1]" 1
1701 2 76 GLU HA 2 76 GLU HB3 2.509 . 3.296 2.449 2.421 2.489 . 0 0 "[ . 1]" 1
1702 2 80 GLU HA 2 80 GLU HB2 2.369 . 3.070 3.001 2.993 3.018 . 0 0 "[ . 1]" 1
1703 2 20 LYS HE2 2 80 GLU HB2 2.830 . 3.831 3.896 3.840 3.919 0.088 7 0 "[ . 1]" 1
1704 2 61 PHE QD 2 62 ASP HB2 2.891 . 3.935 3.827 3.463 3.983 0.048 7 0 "[ . 1]" 1
1705 2 60 ARG HB3 2 60 ARG HD3 2.524 . 3.320 2.695 2.185 3.309 . 0 0 "[ . 1]" 1
1706 2 60 ARG HB3 2 60 ARG HG3 2.444 . 3.190 2.918 2.872 2.960 . 0 0 "[ . 1]" 1
1707 2 60 ARG HB2 2 65 PRO HA 3.101 . 4.303 3.813 3.166 4.326 0.023 1 0 "[ . 1]" 1
1708 2 77 MET HA 2 77 MET HB3 2.538 . 3.343 2.528 2.370 2.579 . 0 0 "[ . 1]" 1
1709 2 17 ILE MD 2 77 MET HB2 2.928 . 4.000 2.809 2.321 3.132 . 0 0 "[ . 1]" 1
1710 2 72 PRO HB3 2 77 MET HB2 2.536 . 3.340 1.894 1.805 2.107 . 0 0 "[ . 1]" 1
1711 2 20 LYS HB3 2 28 VAL MG2 2.433 . 3.173 2.533 2.213 3.300 0.127 1 0 "[ . 1]" 1
1712 2 46 TYR QD 2 85 VAL HB 3.054 . 4.220 3.222 3.007 3.368 . 0 0 "[ . 1]" 1
1713 2 85 VAL HA 2 85 VAL HB 2.533 . 3.335 3.023 3.018 3.028 . 0 0 "[ . 1]" 1
1714 2 23 GLY HA3 2 85 VAL HB 2.840 . 3.848 2.782 2.489 2.945 . 0 0 "[ . 1]" 1
1715 2 23 GLY HA2 2 85 VAL HB 2.951 . 4.039 1.797 1.718 1.880 0.145 5 0 "[ . 1]" 1
1716 2 32 LYS HB3 2 32 LYS HG2 2.621 . 3.480 2.639 2.276 2.766 . 0 0 "[ . 1]" 1
1717 2 18 ASN HA 2 32 LYS HB3 3.148 . 4.387 4.273 4.074 4.434 0.047 9 0 "[ . 1]" 1
1718 2 32 LYS HA 2 32 LYS HB3 2.405 . 3.128 2.995 2.968 3.011 . 0 0 "[ . 1]" 1
1719 2 32 LYS HB3 2 32 LYS HG3 2.495 . 3.273 2.939 2.897 3.003 . 0 0 "[ . 1]" 1
1720 2 32 LYS HA 2 32 LYS HB2 2.410 . 3.136 2.379 2.302 2.466 . 0 0 "[ . 1]" 1
1721 2 32 LYS HB2 2 32 LYS HG2 2.609 . 3.460 2.950 2.918 3.022 . 0 0 "[ . 1]" 1
1722 2 72 PRO HA 2 77 MET HG3 2.545 . 3.354 1.788 1.643 1.900 0.093 3 0 "[ . 1]" 1
1723 2 72 PRO HB3 2 77 MET HG3 2.292 . 2.948 2.496 1.651 2.955 0.007 4 0 "[ . 1]" 1
1724 2 11 LYS HA 2 11 LYS HB3 2.304 . 2.968 2.636 2.565 2.823 . 0 0 "[ . 1]" 1
1725 2 78 GLU HB2 2 78 GLU HG3 2.350 . 3.041 2.706 2.206 2.789 . 0 0 "[ . 1]" 1
1726 2 78 GLU HB2 2 78 GLU HG2 2.453 . 3.205 2.886 2.857 2.909 . 0 0 "[ . 1]" 1
1727 2 11 LYS HB3 2 11 LYS HG3 2.415 . 3.144 2.649 2.609 2.692 . 0 0 "[ . 1]" 1
1728 2 7 LYS HA 2 7 LYS HB2 2.523 . 3.319 2.805 2.474 3.030 . 0 0 "[ . 1]" 1
1729 2 11 LYS HB2 2 11 LYS QE 2.475 . 3.241 1.806 1.583 2.131 0.126 7 0 "[ . 1]" 1
1730 2 50 GLN HA 2 50 GLN HG2 2.538 . 3.343 2.637 2.478 2.788 . 0 0 "[ . 1]" 1
1731 2 46 TYR QD 2 50 GLN HG2 3.014 . 4.149 3.879 3.550 4.182 0.033 10 0 "[ . 1]" 1
1732 2 58 ARG HA 2 58 ARG HB2 2.753 . 3.700 2.942 2.911 2.999 . 0 0 "[ . 1]" 1
1733 2 58 ARG HB2 2 58 ARG HD2 3.005 . 4.134 3.778 3.635 4.178 0.044 10 0 "[ . 1]" 1
1734 2 58 ARG HB2 2 86 PHE HB2 3.075 . 4.257 3.320 2.880 3.734 . 0 0 "[ . 1]" 1
1735 2 21 VAL HB 2 46 TYR QD 2.739 . 3.677 3.375 3.203 3.503 . 0 0 "[ . 1]" 1
1736 2 21 VAL HB 2 29 VAL MG2 2.762 . 3.716 1.917 1.812 2.143 . 0 0 "[ . 1]" 1
1737 2 21 VAL HB 2 46 TYR QE 2.687 . 3.590 3.468 3.391 3.564 . 0 0 "[ . 1]" 1
1738 2 44 LYS HB2 2 44 LYS HE3 2.591 . 3.430 2.892 1.620 3.231 0.132 2 0 "[ . 1]" 1
1739 2 11 LYS HB3 2 11 LYS QE 2.714 . 3.635 3.038 2.881 3.382 . 0 0 "[ . 1]" 1
1740 2 7 LYS HB2 2 7 LYS QE 2.915 . 3.977 3.323 2.004 3.978 0.001 7 0 "[ . 1]" 1
1741 2 65 PRO HA 2 65 PRO HB2 2.545 . 3.354 2.900 2.860 2.944 . 0 0 "[ . 1]" 1
1742 2 65 PRO HB2 2 65 PRO HD3 2.687 . 3.590 3.819 3.766 3.864 0.274 5 0 "[ . 1]" 1
1743 2 6 PRO HB2 2 6 PRO HD2 2.583 . 3.417 2.951 2.825 3.188 . 0 0 "[ . 1]" 1
1744 2 34 LYS HB3 2 34 LYS HG3 2.631 . 3.496 2.955 2.895 3.003 . 0 0 "[ . 1]" 1
1745 2 17 ILE MD 2 72 PRO HB2 3.096 . 4.294 2.940 2.465 3.433 . 0 0 "[ . 1]" 1
1746 2 35 ARG HA 2 72 PRO HB2 2.501 . 3.283 2.173 1.959 2.552 . 0 0 "[ . 1]" 1
1747 2 5 LYS HB2 2 6 PRO HD3 3.099 . 4.300 4.067 2.721 4.509 0.209 2 0 "[ . 1]" 1
1748 2 34 LYS HB2 2 34 LYS HG3 2.720 . 3.645 2.337 2.212 2.630 . 0 0 "[ . 1]" 1
1749 2 41 LYS HA 2 41 LYS HB2 2.203 . 2.810 2.940 2.907 2.969 0.159 3 0 "[ . 1]" 1
1750 2 30 GLN HA 2 30 GLN HB3 2.390 . 3.104 2.753 2.669 2.777 . 0 0 "[ . 1]" 1
1751 2 20 LYS HA 2 30 GLN HB2 3.093 . 4.289 4.589 4.512 4.626 0.337 2 0 "[ . 1]" 1
1752 2 68 GLU HA 2 68 GLU HB3 2.433 . 3.173 2.413 2.190 2.940 . 0 0 "[ . 1]" 1
1753 2 50 GLN HB3 2 52 LEU MD2 2.459 . 3.215 3.178 2.743 3.256 0.041 5 0 "[ . 1]" 1
1754 2 68 GLU HA 2 68 GLU HB2 2.437 . 3.179 2.680 2.201 2.898 . 0 0 "[ . 1]" 1
1755 2 35 ARG HA 2 35 ARG HB3 2.836 . 3.841 2.486 2.346 2.710 . 0 0 "[ . 1]" 1
1756 2 35 ARG HB3 2 73 ALA MB 2.964 . 4.062 1.801 1.700 1.882 0.166 5 0 "[ . 1]" 1
1757 2 11 LYS QD 2 11 LYS QE 1.910 . 2.366 2.053 2.019 2.088 . 0 0 "[ . 1]" 1
1758 2 11 LYS HB2 2 11 LYS QD 2.156 . 2.737 2.694 2.552 2.889 0.152 7 0 "[ . 1]" 1
1759 2 47 CYS HA 2 50 GLN HB2 3.085 . 4.275 3.511 3.275 3.816 . 0 0 "[ . 1]" 1
1760 2 50 GLN HB2 2 52 LEU MD1 2.473 . 3.237 1.684 1.638 1.752 0.071 4 0 "[ . 1]" 1
1761 2 46 TYR QD 2 49 ARG HB3 2.956 . 4.048 2.528 2.287 3.001 . 0 0 "[ . 1]" 1
1762 2 88 GLN HA 2 88 GLN HB2 2.308 . 2.974 3.012 3.006 3.017 0.043 4 0 "[ . 1]" 1
1763 2 87 GLN HA 2 87 GLN HB2 2.452 . 3.203 2.599 2.568 2.636 . 0 0 "[ . 1]" 1
1764 2 55 ARG HB3 2 55 ARG HD2 2.266 . 2.908 2.798 2.720 2.921 0.013 4 0 "[ . 1]" 1
1765 2 4 GLU HB2 2 32 LYS HE2 2.856 . 3.876 3.585 2.604 3.963 0.087 5 0 "[ . 1]" 1
1766 2 55 ARG HA 2 55 ARG HB2 2.179 . 2.773 2.723 2.630 2.773 0.000 8 0 "[ . 1]" 1
1767 2 55 ARG HB2 2 55 ARG HD2 2.477 . 3.244 3.165 2.999 3.264 0.020 7 0 "[ . 1]" 1
1768 2 13 GLU HB3 2 35 ARG HB3 2.562 . 3.383 3.126 1.988 3.437 0.054 1 0 "[ . 1]" 1
1769 2 35 ARG HG3 2 73 ALA MB 3.063 . 4.236 3.639 2.835 3.841 . 0 0 "[ . 1]" 1
1770 2 44 LYS HD3 2 47 CYS HB3 2.759 . 3.711 2.554 1.719 3.833 0.122 2 0 "[ . 1]" 1
1771 2 44 LYS HD3 2 48 GLU HG3 2.547 . 3.358 3.027 2.741 3.285 . 0 0 "[ . 1]" 1
1772 2 44 LYS HA 2 44 LYS HD3 2.341 . 3.026 1.791 1.618 2.957 0.038 6 0 "[ . 1]" 1
1773 2 39 LEU HG 2 72 PRO HD3 2.594 . 3.435 1.790 1.711 1.949 0.042 5 0 "[ . 1]" 1
1774 2 35 ARG HA 2 35 ARG HG3 2.718 . 3.641 3.699 3.632 3.848 0.207 7 0 "[ . 1]" 1
1775 2 17 ILE MG 2 35 ARG HG3 2.863 . 3.888 3.511 3.246 3.795 . 0 0 "[ . 1]" 1
1776 2 17 ILE MD 2 35 ARG HG3 3.098 . 4.298 4.131 3.721 4.382 0.084 6 0 "[ . 1]" 1
1777 2 24 GLN HA 2 24 GLN HB2 2.258 . 2.895 2.987 2.971 2.993 0.098 4 0 "[ . 1]" 1
1778 2 37 THR MG 2 38 PRO HG2 2.999 . 4.123 3.424 2.513 3.913 . 0 0 "[ . 1]" 1
1779 2 4 GLU HB2 2 5 LYS HD3 2.728 . 3.658 2.873 1.931 3.816 0.158 10 0 "[ . 1]" 1
1780 2 64 GLN HA 2 65 PRO HG3 2.773 . 3.734 3.598 3.464 3.769 0.035 4 0 "[ . 1]" 1
1781 2 65 PRO HA 2 65 PRO HG3 2.779 . 3.744 3.283 3.072 3.439 . 0 0 "[ . 1]" 1
1782 2 37 THR HA 2 38 PRO HG2 2.755 . 3.704 3.990 3.880 4.146 0.442 9 0 "[ . 1]" 1
1783 2 54 MET ME 2 55 ARG HG2 2.519 . 3.312 2.529 1.901 3.384 0.072 2 0 "[ . 1]" 1
1784 2 60 ARG HB2 2 60 ARG HG3 2.226 . 2.845 2.239 2.211 2.280 . 0 0 "[ . 1]" 1
1785 2 60 ARG HA 2 60 ARG HG2 2.539 . 3.345 2.249 2.037 2.380 . 0 0 "[ . 1]" 1
1786 2 60 ARG HG2 2 65 PRO HA 2.596 . 3.438 2.402 1.986 2.780 . 0 0 "[ . 1]" 1
1787 2 60 ARG HB3 2 60 ARG HG2 2.480 . 3.249 2.711 2.633 2.776 . 0 0 "[ . 1]" 1
1788 2 75 LEU MD2 2 75 LEU HG 2.168 . 2.755 2.091 2.070 2.120 . 0 0 "[ . 1]" 1
1789 2 70 ASP HB2 2 75 LEU HG 2.824 . 3.821 3.807 3.498 3.926 0.105 9 0 "[ . 1]" 1
1790 2 75 LEU MD1 2 75 LEU HG 2.207 . 2.816 2.092 2.072 2.116 . 0 0 "[ . 1]" 1
1791 2 55 ARG HG3 2 56 GLN HG3 2.649 . 3.526 3.379 2.642 3.539 0.013 5 0 "[ . 1]" 1
1792 2 19 LEU HA 2 19 LEU HG 2.827 . 3.826 2.722 2.630 2.805 . 0 0 "[ . 1]" 1
1793 2 60 ARG HG3 2 65 PRO HA 2.882 . 3.920 2.617 1.997 3.099 . 0 0 "[ . 1]" 1
1794 2 31 PHE QD 2 42 LEU HG 2.435 . 3.176 1.780 1.608 1.984 0.086 3 0 "[ . 1]" 1
1795 2 42 LEU HA 2 42 LEU HG 2.488 . 3.262 2.416 2.236 2.617 . 0 0 "[ . 1]" 1
1796 2 31 PHE HB3 2 42 LEU HG 2.458 . 3.213 2.858 2.612 3.094 . 0 0 "[ . 1]" 1
1797 2 31 PHE HB2 2 42 LEU HG 2.375 . 3.080 3.171 3.010 3.257 0.177 1 0 "[ . 1]" 1
1798 2 42 LEU MD1 2 42 LEU HG 1.885 . 2.329 2.082 2.064 2.105 . 0 0 "[ . 1]" 1
1799 2 46 TYR QD 2 49 ARG HG3 3.132 . 4.359 4.308 3.962 4.452 0.093 1 0 "[ . 1]" 1
1800 2 58 ARG HD3 2 58 ARG HG3 2.567 . 3.391 2.884 2.389 3.007 . 0 0 "[ . 1]" 1
1801 2 58 ARG HA 2 58 ARG HG3 2.911 . 3.970 3.996 3.814 4.063 0.093 6 0 "[ . 1]" 1
1802 2 58 ARG HD2 2 58 ARG HG3 2.467 . 3.228 2.390 2.322 2.448 . 0 0 "[ . 1]" 1
1803 2 58 ARG HA 2 58 ARG HG2 2.861 . 3.884 3.351 3.008 3.472 . 0 0 "[ . 1]" 1
1804 2 58 ARG HD3 2 58 ARG HG2 2.510 . 3.297 2.600 2.464 3.004 . 0 0 "[ . 1]" 1
1805 2 58 ARG HD2 2 58 ARG HG2 2.620 . 3.478 2.869 2.368 2.995 . 0 0 "[ . 1]" 1
1806 2 33 ILE HG13 2 37 THR HB 2.755 . 3.704 3.130 2.296 3.736 0.032 1 0 "[ . 1]" 1
1807 2 33 ILE MD 2 33 ILE HG13 2.119 . 2.680 2.104 2.077 2.116 . 0 0 "[ . 1]" 1
1808 2 33 ILE MD 2 33 ILE HG12 2.318 . 2.990 2.104 2.074 2.118 . 0 0 "[ . 1]" 1
1809 2 66 ILE HA 2 66 ILE HG12 2.772 . 3.732 3.636 3.535 3.794 0.062 1 0 "[ . 1]" 1
1810 2 66 ILE MD 2 66 ILE HG12 2.313 . 2.982 2.101 2.079 2.115 . 0 0 "[ . 1]" 1
1811 2 59 PHE HB3 2 66 ILE HG12 2.855 . 3.874 2.975 2.373 3.422 . 0 0 "[ . 1]" 1
1812 2 31 PHE QD 2 42 LEU MD1 3.026 . 4.170 3.253 2.900 3.487 . 0 0 "[ . 1]" 1
1813 2 42 LEU MD1 2 42 LEU MD2 2.308 . 2.974 1.989 1.909 2.093 . 0 0 "[ . 1]" 1
1814 2 42 LEU HB2 2 42 LEU MD1 2.647 . 3.523 2.073 1.962 2.143 . 0 0 "[ . 1]" 1
1815 2 19 LEU MD1 2 72 PRO HB3 2.660 . 3.545 2.527 2.355 2.695 . 0 0 "[ . 1]" 1
1816 2 19 LEU HB2 2 19 LEU MD1 2.111 . 2.668 2.519 2.344 2.596 . 0 0 "[ . 1]" 1
1817 2 19 LEU MD1 2 72 PRO HA 3.034 . 4.185 3.727 3.457 4.022 . 0 0 "[ . 1]" 1
1818 2 19 LEU MD1 2 77 MET HB3 2.525 . 3.322 3.383 3.236 3.453 0.131 3 0 "[ . 1]" 1
1819 2 39 LEU MD1 2 71 THR HA 2.792 . 3.767 3.496 3.361 3.653 . 0 0 "[ . 1]" 1
1820 2 39 LEU MD1 2 72 PRO HA 2.620 . 3.478 3.239 2.623 3.485 0.007 2 0 "[ . 1]" 1
1821 2 39 LEU MD1 2 70 ASP HB2 2.419 . 3.151 2.442 2.004 3.036 . 0 0 "[ . 1]" 1
1822 2 39 LEU MD1 2 70 ASP HB3 2.497 . 3.276 3.208 2.829 3.386 0.110 9 0 "[ . 1]" 1
1823 2 39 LEU MD1 2 72 PRO HG3 2.845 . 3.857 3.849 3.467 3.940 0.083 8 0 "[ . 1]" 1
1824 2 39 LEU MD1 2 39 LEU HG 1.994 . 2.491 2.099 2.075 2.135 . 0 0 "[ . 1]" 1
1825 2 39 LEU MD1 2 77 MET ME 2.217 . 2.831 1.779 1.617 2.067 . 0 0 "[ . 1]" 1
1826 2 39 LEU MD1 2 66 ILE HA 3.015 . 4.151 3.829 3.224 4.284 0.133 6 0 "[ . 1]" 1
1827 2 50 GLN HE22 2 52 LEU MD1 2.149 . 2.727 2.513 2.335 2.704 . 0 0 "[ . 1]" 1
1828 2 47 CYS HA 2 52 LEU MD1 2.499 . 3.280 1.978 1.880 2.206 . 0 0 "[ . 1]" 1
1829 2 50 GLN HB3 2 52 LEU MD1 2.315 . 2.985 3.111 3.081 3.137 0.152 10 0 "[ . 1]" 1
1830 2 66 ILE HA 2 75 LEU MD1 2.461 . 3.218 2.733 1.829 3.248 0.030 3 0 "[ . 1]" 1
1831 2 70 ASP HB2 2 75 LEU MD1 2.163 . 2.748 2.354 1.985 2.539 . 0 0 "[ . 1]" 1
1832 2 70 ASP HB3 2 75 LEU MD1 2.239 . 2.866 2.015 1.876 2.261 . 0 0 "[ . 1]" 1
1833 2 44 LYS HG3 2 48 GLU HG3 2.979 . 4.088 2.405 1.970 2.569 . 0 0 "[ . 1]" 1
1834 2 41 LYS HA 2 41 LYS HG3 2.305 . 2.969 2.286 2.113 3.051 0.082 10 0 "[ . 1]" 1
1835 2 20 LYS HG3 2 30 GLN HG3 2.776 . 3.739 1.953 1.792 2.980 0.021 10 0 "[ . 1]" 1
1836 2 20 LYS HB2 2 20 LYS HG2 2.428 . 3.165 2.912 2.837 2.949 . 0 0 "[ . 1]" 1
1837 2 54 MET HA 2 57 ILE HG12 2.662 . 3.548 2.898 2.676 3.336 . 0 0 "[ . 1]" 1
1838 2 44 LYS HG2 2 48 GLU HG2 2.889 . 3.932 4.070 4.023 4.121 0.189 7 0 "[ . 1]" 1
1839 2 5 LYS HG3 2 18 ASN HB3 2.734 . 3.668 3.413 2.369 3.771 0.103 8 0 "[ . 1]" 1
1840 2 44 LYS HG2 2 48 GLU HG3 2.851 . 3.867 3.892 3.565 3.968 0.101 3 0 "[ . 1]" 1
1841 2 11 LYS HA 2 11 LYS HG2 2.606 . 3.455 3.286 3.253 3.342 . 0 0 "[ . 1]" 1
1842 2 11 LYS QE 2 11 LYS HG2 2.486 . 3.258 2.657 2.425 3.342 0.084 10 0 "[ . 1]" 1
1843 2 11 LYS QE 2 11 LYS HG3 2.480 . 3.249 3.231 2.761 3.333 0.084 5 0 "[ . 1]" 1
1844 2 32 LYS HA 2 32 LYS HG2 2.693 . 3.600 2.993 2.800 3.516 . 0 0 "[ . 1]" 1
1845 2 7 LYS HA 2 7 LYS HG2 3.074 . 4.255 3.461 2.720 4.234 . 0 0 "[ . 1]" 1
1846 2 16 HIS HB3 2 32 LYS HG2 2.967 . 4.067 2.743 2.264 3.051 . 0 0 "[ . 1]" 1
1847 2 19 LEU HA 2 19 LEU MD2 1.959 . 2.439 1.773 1.685 1.814 . 0 0 "[ . 1]" 1
1848 2 19 LEU MD2 2 81 ASP HB3 2.323 . 2.997 2.828 2.368 3.127 0.130 3 0 "[ . 1]" 1
1849 2 19 LEU MD2 2 20 LYS HB2 3.104 . 4.308 3.888 3.684 4.380 0.072 1 0 "[ . 1]" 1
1850 2 19 LEU MD2 2 77 MET HB3 2.345 . 3.033 2.653 2.542 2.785 . 0 0 "[ . 1]" 1
1851 2 19 LEU MD2 2 81 ASP HB2 2.454 . 3.207 1.992 1.809 2.344 . 0 0 "[ . 1]" 1
1852 2 17 ILE MD 2 19 LEU MD2 2.211 . 2.822 2.971 2.882 3.083 0.261 3 0 "[ . 1]" 1
1853 2 39 LEU MD2 2 71 THR HA 2.899 . 3.949 3.687 3.505 3.945 . 0 0 "[ . 1]" 1
1854 2 39 LEU MD2 2 72 PRO HA 2.826 . 3.824 3.601 2.690 3.846 0.022 5 0 "[ . 1]" 1
1855 2 39 LEU MD2 2 72 PRO HG3 2.398 . 3.117 1.931 1.793 2.126 . 0 0 "[ . 1]" 1
1856 2 39 LEU MD2 2 39 LEU HG 1.974 . 2.461 2.098 2.085 2.125 . 0 0 "[ . 1]" 1
1857 2 39 LEU MD2 2 42 LEU HB2 2.459 . 3.215 2.551 2.208 3.204 . 0 0 "[ . 1]" 1
1858 2 39 LEU MD2 2 77 MET ME 2.447 . 3.195 2.224 1.860 2.479 . 0 0 "[ . 1]" 1
1859 2 39 LEU MD2 2 42 LEU MD1 2.256 . 2.892 1.937 1.676 2.470 . 0 0 "[ . 1]" 1
1860 2 39 LEU MD2 2 42 LEU MD2 2.466 . 3.226 2.702 2.250 2.958 . 0 0 "[ . 1]" 1
1861 2 31 PHE QD 2 42 LEU MD2 2.472 . 3.236 2.737 1.904 3.253 0.017 6 0 "[ . 1]" 1
1862 2 42 LEU MD2 2 59 PHE QD 2.620 . 3.478 2.904 2.700 3.168 . 0 0 "[ . 1]" 1
1863 2 42 LEU MD2 2 59 PHE QE 2.646 . 3.521 2.026 1.807 2.268 . 0 0 "[ . 1]" 1
1864 2 42 LEU HA 2 42 LEU MD2 2.518 . 3.310 3.286 3.108 3.392 0.082 1 0 "[ . 1]" 1
1865 2 42 LEU HB3 2 42 LEU MD2 2.130 . 2.697 2.083 1.990 2.221 . 0 0 "[ . 1]" 1
1866 2 42 LEU MD2 2 83 ILE MG 2.559 . 3.378 3.083 2.690 3.251 . 0 0 "[ . 1]" 1
1867 2 42 LEU MD2 2 42 LEU HG 1.925 . 2.388 2.112 2.083 2.128 . 0 0 "[ . 1]" 1
1868 2 24 GLN HG3 2 52 LEU MD2 3.142 . 4.376 4.415 4.387 4.470 0.094 5 0 "[ . 1]" 1
1869 2 29 VAL MG1 2 29 VAL MG2 1.759 . 2.146 2.090 2.053 2.112 . 0 0 "[ . 1]" 1
1870 2 82 THR HA 2 82 THR MG 1.935 . 2.403 2.288 2.248 2.329 . 0 0 "[ . 1]" 1
1871 2 82 THR HB 2 82 THR MG 1.764 . 2.153 2.121 2.104 2.129 . 0 0 "[ . 1]" 1
1872 2 82 THR MG 2 83 ILE HB 2.971 . 4.074 4.180 4.144 4.199 0.125 10 0 "[ . 1]" 1
1873 2 22 ALA MB 2 82 THR MG 1.746 . 2.127 2.168 2.099 2.219 0.092 6 0 "[ . 1]" 1
1874 2 20 LYS HE3 2 82 THR MG 2.923 . 3.991 3.042 2.795 3.354 . 0 0 "[ . 1]" 1
1875 2 70 ASP HA 2 75 LEU MD2 3.021 . 4.162 3.286 3.102 3.507 . 0 0 "[ . 1]" 1
1876 2 75 LEU HA 2 75 LEU MD2 1.798 . 2.202 2.015 1.854 2.266 0.064 5 0 "[ . 1]" 1
1877 2 70 ASP HB2 2 75 LEU MD2 2.512 . 3.301 3.268 3.100 3.380 0.079 3 0 "[ . 1]" 1
1878 2 70 ASP HB3 2 75 LEU MD2 2.220 . 2.836 1.900 1.754 1.991 . 0 0 "[ . 1]" 1
1879 2 74 GLN HB2 2 75 LEU MD2 2.343 . 3.029 3.033 2.705 3.123 0.094 4 0 "[ . 1]" 1
1880 2 52 LEU MD2 2 87 GLN HE21 2.580 . 3.412 3.396 3.254 3.483 0.071 2 0 "[ . 1]" 1
1881 2 52 LEU HA 2 52 LEU MD2 1.928 . 2.393 2.532 2.481 2.587 0.194 2 0 "[ . 1]" 1
1882 2 50 GLN HE22 2 52 LEU MD2 2.554 . 3.369 3.408 3.337 3.461 0.092 6 0 "[ . 1]" 1
1883 2 29 VAL MG1 2 49 ARG HD2 2.390 . 3.104 2.939 2.216 3.166 0.062 6 0 "[ . 1]" 1
1884 2 83 ILE MG 2 85 VAL MG2 2.577 . 3.407 3.041 2.907 3.187 . 0 0 "[ . 1]" 1
1885 2 21 VAL MG1 2 46 TYR QD 2.307 . 2.972 2.408 2.160 2.573 . 0 0 "[ . 1]" 1
1886 2 21 VAL MG1 2 59 PHE QE 2.407 . 3.131 2.671 2.416 2.979 . 0 0 "[ . 1]" 1
1887 2 21 VAL MG1 2 22 ALA HA 3.129 . 4.353 4.331 4.269 4.388 0.035 3 0 "[ . 1]" 1
1888 2 21 VAL HA 2 21 VAL MG1 2.060 . 2.591 2.231 2.191 2.265 . 0 0 "[ . 1]" 1
1889 2 21 VAL HB 2 21 VAL MG1 1.957 . 2.436 2.120 2.116 2.126 . 0 0 "[ . 1]" 1
1890 2 21 VAL MG1 2 83 ILE HB 2.623 . 3.483 2.309 2.154 2.470 . 0 0 "[ . 1]" 1
1891 2 21 VAL MG1 2 85 VAL HB 2.533 . 3.335 3.346 3.260 3.408 0.073 10 0 "[ . 1]" 1
1892 2 21 VAL MG1 2 29 VAL MG2 2.614 . 3.468 3.269 3.171 3.480 0.012 8 0 "[ . 1]" 1
1893 2 21 VAL MG1 2 83 ILE MG 2.430 . 3.168 2.316 2.057 2.488 . 0 0 "[ . 1]" 1
1894 2 21 VAL MG1 2 21 VAL MG2 1.790 . 2.191 2.067 2.041 2.081 . 0 0 "[ . 1]" 1
1895 2 21 VAL MG1 2 83 ILE MD 2.939 . 4.019 3.479 3.284 3.618 . 0 0 "[ . 1]" 1
1896 2 21 VAL MG1 2 85 VAL MG2 1.940 . 2.410 1.614 1.561 1.653 . 0 0 "[ . 1]" 1
1897 2 37 THR HA 2 37 THR MG 2.197 . 2.801 2.513 2.257 2.686 . 0 0 "[ . 1]" 1
1898 2 37 THR HB 2 37 THR MG 1.914 . 2.372 2.086 2.075 2.107 . 0 0 "[ . 1]" 1
1899 2 37 THR MG 2 41 LYS HD3 2.015 . 2.522 2.148 1.830 2.563 0.041 6 0 "[ . 1]" 1
1900 2 33 ILE MD 2 37 THR MG 2.320 . 2.993 2.291 1.842 3.071 0.078 10 0 "[ . 1]" 1
1901 2 88 GLN HB3 2 90 THR MG 2.677 . 3.573 3.340 2.464 3.599 0.026 6 0 "[ . 1]" 1
1902 2 11 LYS HB3 2 12 THR MG 2.750 . 3.695 2.525 2.264 2.880 . 0 0 "[ . 1]" 1
1903 2 11 LYS HB2 2 12 THR MG 2.741 . 3.680 3.713 3.507 3.917 0.237 6 0 "[ . 1]" 1
1904 2 74 GLN HB3 2 75 LEU MD2 2.675 . 3.569 2.084 1.914 2.529 . 0 0 "[ . 1]" 1
1905 2 28 VAL HA 2 28 VAL MG2 1.924 . 2.386 2.417 2.399 2.443 0.057 6 0 "[ . 1]" 1
1906 2 28 VAL MG2 2 29 VAL HA 2.659 . 3.543 3.390 3.313 3.431 . 0 0 "[ . 1]" 1
1907 2 20 LYS HE3 2 28 VAL MG2 2.477 . 3.244 3.149 2.919 3.291 0.047 1 0 "[ . 1]" 1
1908 2 28 VAL HB 2 28 VAL MG2 1.741 . 2.120 2.141 2.135 2.147 0.027 5 0 "[ . 1]" 1
1909 2 20 LYS HG3 2 28 VAL MG2 2.078 . 2.618 2.605 1.829 2.796 0.178 6 0 "[ . 1]" 1
1910 2 21 VAL MG2 2 31 PHE HB2 3.008 . 4.139 3.274 3.164 3.409 . 0 0 "[ . 1]" 1
1911 2 21 VAL MG2 2 31 PHE QD 2.059 . 2.589 2.519 2.388 2.606 0.017 4 0 "[ . 1]" 1
1912 2 21 VAL MG2 2 59 PHE QE 2.925 . 3.994 3.048 2.627 3.383 . 0 0 "[ . 1]" 1
1913 2 21 VAL HB 2 21 VAL MG2 1.949 . 2.424 2.132 2.116 2.145 . 0 0 "[ . 1]" 1
1914 2 21 VAL MG2 2 83 ILE HB 2.265 . 2.906 2.758 2.404 2.940 0.034 3 0 "[ . 1]" 1
1915 2 21 VAL MG2 2 42 LEU MD2 2.175 . 2.766 1.910 1.720 2.129 . 0 0 "[ . 1]" 1
1916 2 46 TYR QD 2 85 VAL MG1 2.468 . 3.229 2.612 2.384 2.839 . 0 0 "[ . 1]" 1
1917 2 59 PHE QE 2 85 VAL MG1 2.752 . 3.699 2.594 2.385 2.748 . 0 0 "[ . 1]" 1
1918 2 50 GLN HE22 2 85 VAL MG1 2.322 . 2.996 2.926 2.721 3.028 0.032 10 0 "[ . 1]" 1
1919 2 57 ILE HA 2 85 VAL MG1 2.816 . 3.807 3.654 3.585 3.772 . 0 0 "[ . 1]" 1
1920 2 85 VAL HA 2 85 VAL MG1 2.289 . 2.944 2.445 2.409 2.503 . 0 0 "[ . 1]" 1
1921 2 23 GLY HA3 2 85 VAL MG1 2.823 . 3.819 3.448 2.948 3.634 . 0 0 "[ . 1]" 1
1922 2 24 GLN HG3 2 85 VAL MG1 2.913 . 3.974 3.642 3.361 3.992 0.018 1 0 "[ . 1]" 1
1923 2 85 VAL MG1 2 87 GLN HB3 2.782 . 3.749 3.715 3.649 3.757 0.008 10 0 "[ . 1]" 1
1924 2 85 VAL MG1 2 87 GLN HB2 2.993 . 4.112 3.137 3.034 3.211 . 0 0 "[ . 1]" 1
1925 2 57 ILE HB 2 85 VAL MG1 2.236 . 2.861 1.890 1.839 1.934 . 0 0 "[ . 1]" 1
1926 2 85 VAL HB 2 85 VAL MG1 2.063 . 2.595 2.125 2.114 2.133 . 0 0 "[ . 1]" 1
1927 2 57 ILE MD 2 85 VAL MG1 2.119 . 2.680 2.649 2.513 2.726 0.046 10 0 "[ . 1]" 1
1928 2 46 TYR QE 2 85 VAL MG1 3.111 . 4.321 2.975 2.731 3.141 . 0 0 "[ . 1]" 1
1929 2 52 LEU MD1 2 85 VAL MG1 2.310 . 2.977 2.806 2.736 2.880 . 0 0 "[ . 1]" 1
1930 2 46 TYR QD 2 85 VAL MG2 2.265 . 2.906 1.727 1.661 1.770 . 0 0 "[ . 1]" 1
1931 2 59 PHE QE 2 85 VAL MG2 2.414 . 3.142 2.003 1.956 2.054 . 0 0 "[ . 1]" 1
1932 2 59 PHE HA 2 85 VAL MG2 2.542 . 3.350 2.898 2.701 3.028 . 0 0 "[ . 1]" 1
1933 2 21 VAL HA 2 85 VAL MG2 2.825 . 3.823 3.899 3.863 3.946 0.123 6 0 "[ . 1]" 1
1934 2 85 VAL HA 2 85 VAL MG2 2.271 . 2.916 2.289 2.199 2.326 . 0 0 "[ . 1]" 1
1935 2 23 GLY HA3 2 85 VAL MG2 2.797 . 3.775 3.857 3.708 3.919 0.144 5 0 "[ . 1]" 1
1936 2 23 GLY HA2 2 85 VAL MG2 2.952 . 4.041 3.432 3.362 3.602 . 0 0 "[ . 1]" 1
1937 2 21 VAL HB 2 85 VAL MG2 2.719 . 3.643 3.149 2.977 3.365 . 0 0 "[ . 1]" 1
1938 2 57 ILE HB 2 85 VAL MG2 2.513 . 3.302 3.376 3.345 3.410 0.108 3 0 "[ . 1]" 1
1939 2 85 VAL HB 2 85 VAL MG2 2.052 . 2.578 2.057 2.043 2.074 . 0 0 "[ . 1]" 1
1940 2 57 ILE HG13 2 85 VAL MG2 2.666 . 3.554 3.631 3.583 3.680 0.126 2 0 "[ . 1]" 1
1941 2 22 ALA MB 2 28 VAL HA 2.491 . 3.267 3.222 2.849 3.323 0.056 7 0 "[ . 1]" 1
1942 2 37 THR MG 2 41 LYS HE3 2.644 . 3.518 2.281 1.884 3.327 . 0 0 "[ . 1]" 1
1943 2 29 VAL MG2 2 46 TYR HA 3.066 . 4.241 3.548 3.431 3.760 . 0 0 "[ . 1]" 1
1944 2 29 VAL MG2 2 46 TYR QE 2.580 . 3.412 2.176 1.862 2.394 . 0 0 "[ . 1]" 1
1945 2 29 VAL MG2 2 46 TYR QD 2.337 . 3.020 2.528 2.282 2.650 . 0 0 "[ . 1]" 1
1946 2 29 VAL HB 2 29 VAL MG2 1.865 . 2.300 2.107 2.100 2.114 . 0 0 "[ . 1]" 1
1947 2 37 THR HA 2 71 THR MG 2.957 . 4.050 3.406 2.769 3.932 . 0 0 "[ . 1]" 1
1948 2 71 THR HA 2 71 THR MG 2.097 . 2.647 2.658 2.615 2.708 0.061 6 0 "[ . 1]" 1
1949 2 71 THR HB 2 71 THR MG 1.988 . 2.482 2.104 2.072 2.133 . 0 0 "[ . 1]" 1
1950 2 28 VAL HB 2 28 VAL MG1 1.759 . 2.146 2.122 2.120 2.126 . 0 0 "[ . 1]" 1
1951 2 23 GLY HA2 2 85 VAL MG1 2.936 . 4.014 2.892 2.663 3.025 . 0 0 "[ . 1]" 1
1952 2 22 ALA HA 2 22 ALA MB 1.838 . 2.260 2.084 2.074 2.097 . 0 0 "[ . 1]" 1
1953 2 22 ALA MB 2 28 VAL MG2 2.817 . 3.809 3.238 3.016 3.430 . 0 0 "[ . 1]" 1
1954 2 9 GLY HA2 2 10 VAL MG1 2.872 . 3.903 3.982 3.926 4.050 0.147 7 0 "[ . 1]" 1
1955 2 10 VAL MG2 2 35 ARG HD2 3.034 . 4.184 3.630 2.696 4.218 0.034 9 0 "[ . 1]" 1
1956 2 66 ILE HG13 2 66 ILE MG 2.420 . 3.152 3.133 3.101 3.150 . 0 0 "[ . 1]" 1
1957 2 66 ILE MG 2 77 MET ME 2.559 . 3.378 2.269 1.818 2.826 . 0 0 "[ . 1]" 1
1958 2 61 PHE QD 2 66 ILE MG 2.868 . 3.896 3.518 3.204 3.881 . 0 0 "[ . 1]" 1
1959 2 61 PHE HB2 2 66 ILE MG 2.284 . 2.936 2.405 1.880 2.966 0.030 3 0 "[ . 1]" 1
1960 2 64 GLN HG3 2 66 ILE MG 2.487 . 3.260 3.370 3.331 3.433 0.173 8 0 "[ . 1]" 1
1961 2 66 ILE HB 2 66 ILE MG 1.907 . 2.361 2.115 2.098 2.127 . 0 0 "[ . 1]" 1
1962 2 60 ARG HA 2 66 ILE MG 3.018 . 4.156 3.308 3.019 3.617 . 0 0 "[ . 1]" 1
1963 2 57 ILE MG 2 59 PHE QE 2.693 . 3.600 3.171 2.975 3.438 . 0 0 "[ . 1]" 1
1964 2 50 GLN HE22 2 57 ILE MG 2.855 . 3.874 3.922 3.883 3.989 0.115 8 0 "[ . 1]" 1
1965 2 57 ILE HA 2 57 ILE MG 2.099 . 2.650 2.145 2.118 2.192 . 0 0 "[ . 1]" 1
1966 2 57 ILE MG 2 87 GLN HE21 2.279 . 2.928 1.771 1.729 1.821 . 0 0 "[ . 1]" 1
1967 2 57 ILE MG 2 87 GLN HB3 2.643 . 3.516 2.043 1.955 2.194 . 0 0 "[ . 1]" 1
1968 2 57 ILE MG 2 87 GLN HB2 2.758 . 3.709 2.190 2.099 2.313 . 0 0 "[ . 1]" 1
1969 2 57 ILE HB 2 57 ILE MG 1.927 . 2.391 2.102 2.093 2.111 . 0 0 "[ . 1]" 1
1970 2 52 LEU HB3 2 57 ILE MG 2.480 . 3.249 2.051 1.824 2.188 . 0 0 "[ . 1]" 1
1971 2 52 LEU HB2 2 57 ILE MG 2.522 . 3.317 3.025 2.951 3.242 . 0 0 "[ . 1]" 1
1972 2 31 PHE QD 2 45 ALA MB 2.303 . 2.966 2.720 2.399 2.997 0.031 3 0 "[ . 1]" 1
1973 2 42 LEU HA 2 45 ALA MB 2.282 . 2.933 2.907 2.834 2.955 0.022 7 0 "[ . 1]" 1
1974 2 61 PHE QD 2 77 MET ME 2.280 . 2.930 2.926 2.547 3.048 0.118 4 0 "[ . 1]" 1
1975 2 61 PHE HA 2 77 MET ME 2.879 . 3.915 3.932 3.826 4.038 0.123 1 0 "[ . 1]" 1
1976 2 72 PRO HA 2 77 MET ME 2.538 . 3.343 2.305 2.159 2.631 . 0 0 "[ . 1]" 1
1977 2 61 PHE HB3 2 77 MET ME 2.375 . 3.080 3.099 3.036 3.138 0.058 5 0 "[ . 1]" 1
1978 2 61 PHE HB2 2 77 MET ME 2.507 . 3.293 2.103 2.000 2.192 . 0 0 "[ . 1]" 1
1979 2 72 PRO HB3 2 77 MET ME 2.284 . 2.936 3.092 3.021 3.153 0.217 6 0 "[ . 1]" 1
1980 2 75 LEU HB2 2 77 MET ME 2.389 . 3.102 3.031 2.852 3.125 0.023 5 0 "[ . 1]" 1
1981 2 77 MET ME 2 77 MET HG3 2.437 . 3.179 2.185 1.934 2.288 . 0 0 "[ . 1]" 1
1982 2 75 LEU MD1 2 77 MET ME 1.934 . 2.402 2.177 1.903 2.427 0.025 10 0 "[ . 1]" 1
1983 2 36 HIS HA 2 73 ALA MB 2.847 . 3.860 2.312 1.956 2.575 . 0 0 "[ . 1]" 1
1984 2 71 THR HB 2 73 ALA MB 3.097 . 4.296 3.761 3.110 4.259 . 0 0 "[ . 1]" 1
1985 2 35 ARG HA 2 73 ALA MB 3.131 . 4.356 3.205 3.012 3.370 . 0 0 "[ . 1]" 1
1986 2 72 PRO HB2 2 73 ALA MB 2.954 . 4.045 4.023 3.742 4.157 0.112 3 0 "[ . 1]" 1
1987 2 35 ARG HB2 2 73 ALA MB 2.287 . 2.941 2.549 1.887 3.121 0.180 10 0 "[ . 1]" 1
1988 2 59 PHE QD 2 83 ILE MG 2.168 . 2.756 1.897 1.754 2.085 . 0 0 "[ . 1]" 1
1989 2 59 PHE QE 2 83 ILE MG 2.776 . 3.739 3.439 3.348 3.562 . 0 0 "[ . 1]" 1
1990 2 21 VAL HA 2 83 ILE MG 2.760 . 3.712 3.640 3.419 3.790 0.078 6 0 "[ . 1]" 1
1991 2 59 PHE HB2 2 83 ILE MG 2.428 . 3.165 3.356 3.310 3.451 0.286 4 0 "[ . 1]" 1
1992 2 83 ILE HB 2 83 ILE MG 2.103 . 2.656 2.140 2.110 2.155 . 0 0 "[ . 1]" 1
1993 2 77 MET ME 2 83 ILE MG 2.584 . 3.419 3.415 3.345 3.469 0.050 10 0 "[ . 1]" 1
1994 2 61 PHE QD 2 83 ILE MG 3.081 . 4.267 4.324 4.201 4.373 0.106 6 0 "[ . 1]" 1
1995 2 43 MET ME 2 68 GLU HB3 2.500 . 3.281 3.210 2.772 3.373 0.092 3 0 "[ . 1]" 1
1996 2 43 MET ME 2 68 GLU HA 2.301 . 2.963 1.940 1.724 2.271 . 0 0 "[ . 1]" 1
1997 2 43 MET ME 2 59 PHE HB3 2.439 . 3.183 2.802 2.389 3.202 0.019 2 0 "[ . 1]" 1
1998 2 43 MET ME 2 59 PHE HB2 2.627 . 3.489 1.858 1.778 1.943 . 0 0 "[ . 1]" 1
1999 2 43 MET ME 2 66 ILE HG12 2.195 . 2.797 2.872 2.412 3.085 0.288 6 0 "[ . 1]" 1
2000 2 43 MET ME 2 59 PHE QD 2.435 . 3.176 2.501 2.179 2.846 . 0 0 "[ . 1]" 1
2001 2 43 MET ME 2 59 PHE QE 2.806 . 3.790 3.847 3.799 3.914 0.124 5 0 "[ . 1]" 1
2002 2 31 PHE HB2 2 33 ILE MG 2.878 . 3.913 3.743 3.698 3.771 . 0 0 "[ . 1]" 1
2003 2 31 PHE HB3 2 33 ILE MG 2.747 . 3.691 3.829 3.659 3.949 0.258 3 0 "[ . 1]" 1
2004 2 33 ILE HB 2 33 ILE MG 2.058 . 2.588 2.078 2.055 2.111 . 0 0 "[ . 1]" 1
2005 2 17 ILE HB 2 17 ILE MG 2.092 . 2.639 2.086 2.074 2.108 . 0 0 "[ . 1]" 1
2006 2 17 ILE MG 2 35 ARG HG2 2.306 . 2.970 2.840 2.383 3.031 0.061 4 0 "[ . 1]" 1
2007 2 10 VAL HB 2 17 ILE MG 2.619 . 3.476 2.285 1.782 3.461 . 0 0 "[ . 1]" 1
2008 2 59 PHE QD 2 66 ILE MD 2.750 . 3.695 2.311 1.904 2.556 . 0 0 "[ . 1]" 1
2009 2 61 PHE HB2 2 66 ILE MD 2.304 . 2.968 2.699 2.402 2.943 . 0 0 "[ . 1]" 1
2010 2 59 PHE HB2 2 66 ILE MD 2.382 . 3.091 2.725 2.091 3.121 0.030 7 0 "[ . 1]" 1
2011 2 66 ILE MD 2 77 MET ME 2.234 . 2.858 2.398 1.916 2.920 0.062 3 0 "[ . 1]" 1
2012 2 57 ILE MD 2 87 GLN HE21 2.504 . 3.287 3.506 3.452 3.545 0.258 3 0 "[ . 1]" 1
2013 2 57 ILE HB 2 57 ILE MD 2.112 . 2.670 2.746 2.705 2.811 0.141 9 0 "[ . 1]" 1
2014 2 57 ILE MD 2 59 PHE HZ 2.485 . 3.257 3.009 2.732 3.274 0.017 10 0 "[ . 1]" 1
2015 2 33 ILE HA 2 33 ILE MD 2.758 . 3.709 3.532 3.246 3.792 0.083 5 0 "[ . 1]" 1
2016 2 33 ILE MD 2 39 LEU HA 2.418 . 3.149 2.645 2.258 2.824 . 0 0 "[ . 1]" 1
2017 2 33 ILE MD 2 42 LEU HA 3.042 . 4.199 3.596 3.197 3.955 . 0 0 "[ . 1]" 1
2018 2 33 ILE HB 2 33 ILE MD 2.116 . 2.676 2.300 2.106 2.566 . 0 0 "[ . 1]" 1
2019 2 59 PHE QD 2 83 ILE MD 2.857 . 3.877 3.235 2.974 3.628 . 0 0 "[ . 1]" 1
2020 2 83 ILE HA 2 83 ILE MD 2.976 . 4.083 3.807 3.760 3.829 . 0 0 "[ . 1]" 1
2021 2 83 ILE HB 2 83 ILE MD 2.216 . 2.830 2.254 2.114 2.391 . 0 0 "[ . 1]" 1
2022 2 19 LEU HB3 2 83 ILE MD 2.505 . 3.289 3.114 2.549 3.332 0.043 2 0 "[ . 1]" 1
2023 2 77 MET ME 2 83 ILE MD 2.154 . 2.734 1.816 1.751 1.949 . 0 0 "[ . 1]" 1
2024 2 83 ILE MD 2 83 ILE MG 1.996 . 2.494 2.139 2.020 2.420 . 0 0 "[ . 1]" 1
2025 2 19 LEU MD2 2 83 ILE MD 2.011 . 2.516 2.242 1.804 2.520 0.004 2 0 "[ . 1]" 1
2026 2 42 LEU MD2 2 83 ILE MD 2.377 . 3.083 2.106 1.835 2.405 . 0 0 "[ . 1]" 1
2027 2 61 PHE QD 2 83 ILE MD 3.123 . 4.342 3.566 3.274 3.927 . 0 0 "[ . 1]" 1
2028 2 17 ILE MD 2 35 ARG HA 2.833 . 3.836 3.699 3.010 3.895 0.059 10 0 "[ . 1]" 1
2029 2 17 ILE MD 2 35 ARG HD2 2.875 . 3.908 2.916 1.859 3.998 0.090 5 0 "[ . 1]" 1
2030 2 17 ILE MD 2 77 MET HB3 2.333 . 3.013 2.760 2.447 3.054 0.041 9 0 "[ . 1]" 1
2031 2 17 ILE HB 2 17 ILE MD 2.196 . 2.799 2.494 2.413 2.646 . 0 0 "[ . 1]" 1
2032 2 17 ILE MD 2 17 ILE HG13 1.920 . 2.381 2.072 2.057 2.111 . 0 0 "[ . 1]" 1
2033 2 17 ILE MD 2 17 ILE MG 2.135 . 2.705 2.010 1.684 2.116 . 0 0 "[ . 1]" 1
2034 2 17 ILE MD 2 19 LEU HA 3.096 . 4.294 4.219 4.008 4.342 0.048 1 0 "[ . 1]" 1
2035 2 17 ILE MD 2 17 ILE HG12 2.070 . 2.606 2.081 2.069 2.119 . 0 0 "[ . 1]" 1
2036 2 46 TYR HB2 2 57 ILE MD 3.118 . 4.333 4.114 3.663 4.367 0.034 5 0 "[ . 1]" 1
2037 2 19 LEU HA 2 19 LEU HB3 2.629 . 3.493 2.815 2.784 2.847 . 0 0 "[ . 1]" 1
2038 2 19 LEU HB3 2 42 LEU HG 2.993 . 4.113 3.793 3.549 4.006 . 0 0 "[ . 1]" 1
2039 2 19 LEU HB2 2 33 ILE MG 2.454 . 3.207 1.822 1.664 1.985 0.037 3 0 "[ . 1]" 1
2040 2 19 LEU HB2 2 42 LEU HG 2.943 . 4.025 4.156 4.082 4.203 0.178 1 0 "[ . 1]" 1
2041 2 47 CYS HA 2 52 LEU HB3 2.736 . 3.672 3.669 3.540 3.771 0.099 2 0 "[ . 1]" 1
2042 2 52 LEU HA 2 52 LEU HB3 2.569 . 3.394 2.359 2.307 2.387 . 0 0 "[ . 1]" 1
2043 2 52 LEU HA 2 52 LEU HB2 2.690 . 3.595 3.009 2.982 3.025 . 0 0 "[ . 1]" 1
2044 2 47 CYS HA 2 52 LEU HB2 2.598 . 3.442 2.081 1.881 2.268 . 0 0 "[ . 1]" 1
2045 2 31 PHE HB3 2 33 ILE HB 3.113 . 4.324 3.717 3.518 3.910 . 0 0 "[ . 1]" 1
2046 2 33 ILE HB 2 33 ILE HG13 2.376 . 3.082 2.637 2.409 2.795 . 0 0 "[ . 1]" 1
2047 2 33 ILE HB 2 33 ILE HG12 2.640 . 3.511 2.991 2.918 3.038 . 0 0 "[ . 1]" 1
2048 2 33 ILE HB 2 42 LEU HG 2.952 . 4.042 3.984 3.668 4.098 0.056 6 0 "[ . 1]" 1
2049 2 61 PHE HB3 2 75 LEU HB3 3.061 . 4.232 4.283 4.177 4.374 0.142 10 0 "[ . 1]" 1
2050 2 75 LEU HB3 2 75 LEU MD1 2.389 . 3.102 2.188 2.001 2.412 . 0 0 "[ . 1]" 1
2051 2 17 ILE HB 2 17 ILE HG13 2.544 . 3.353 2.428 2.372 2.486 . 0 0 "[ . 1]" 1
2052 2 17 ILE HB 2 17 ILE HG12 2.573 . 3.400 3.010 3.004 3.019 . 0 0 "[ . 1]" 1
2053 2 75 LEU HB2 2 77 MET HG3 2.907 . 3.964 2.763 2.365 3.650 . 0 0 "[ . 1]" 1
2054 2 75 LEU HB2 2 75 LEU MD1 2.472 . 3.236 2.488 2.190 2.644 . 0 0 "[ . 1]" 1
2055 2 39 LEU HA 2 42 LEU HB3 3.155 . 4.399 3.063 2.922 3.283 . 0 0 "[ . 1]" 1
2056 2 39 LEU MD2 2 42 LEU HB3 2.757 . 3.707 2.286 2.007 3.076 . 0 0 "[ . 1]" 1
2057 2 42 LEU HA 2 42 LEU HB3 2.677 . 3.573 3.008 2.978 3.024 . 0 0 "[ . 1]" 1
2058 2 42 LEU HB3 2 42 LEU HG 2.648 . 3.525 2.966 2.911 3.008 . 0 0 "[ . 1]" 1
2059 2 39 LEU HA 2 42 LEU HB2 3.058 . 4.227 2.987 2.498 3.568 . 0 0 "[ . 1]" 1
2060 2 42 LEU HA 2 42 LEU HB2 2.470 . 3.233 2.533 2.420 2.645 . 0 0 "[ . 1]" 1
2061 2 42 LEU HB2 2 42 LEU HG 2.492 . 3.268 2.652 2.524 2.778 . 0 0 "[ . 1]" 1
2062 2 42 LEU HB2 2 42 LEU MD2 2.731 . 3.663 3.094 3.008 3.154 . 0 0 "[ . 1]" 1
2063 2 57 ILE HB 2 59 PHE QE 3.158 . 4.404 2.579 2.312 2.705 . 0 0 "[ . 1]" 1
2064 2 66 ILE HB 2 66 ILE HG13 2.631 . 3.497 2.354 2.229 2.525 . 0 0 "[ . 1]" 1
2065 2 60 ARG HD3 2 60 ARG HG2 2.481 . 3.250 2.685 2.357 2.984 . 0 0 "[ . 1]" 1
2066 2 60 ARG HB2 2 60 ARG HD3 2.526 . 3.323 3.374 3.160 3.496 0.173 6 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 4
_Distance_constraint_stats_list.Viol_count 39
_Distance_constraint_stats_list.Viol_total 116.017
_Distance_constraint_stats_list.Viol_max 0.888
_Distance_constraint_stats_list.Viol_rms 0.2433
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2900
_Distance_constraint_stats_list.Viol_average_violations_only 0.2975
_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 82 GLY 11.602 0.888 5 9 "[-***+*** *]"
2 11 LYS 11.602 0.888 5 9 "[-***+*** *]"
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 82 GLY O 2 11 LYS NZ 2.250 2.200 2.300 2.355 2.237 2.400 0.100 10 0 "[ . 1]" 2
2 1 82 GLY C 2 11 LYS NZ 1.350 . 1.400 2.073 1.884 2.288 0.888 5 9 "[-***+*** *]" 2
3 1 82 GLY CA 2 11 LYS NZ 2.450 2.400 2.500 2.679 2.625 2.737 0.237 2 0 "[ . 1]" 2
4 1 82 GLY C 2 11 LYS CE 2.450 2.400 2.500 2.747 2.699 2.832 0.332 1 0 "[ . 1]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 16
_Distance_constraint_stats_list.Viol_count 11
_Distance_constraint_stats_list.Viol_total 3.714
_Distance_constraint_stats_list.Viol_max 0.145
_Distance_constraint_stats_list.Viol_rms 0.0136
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0338
_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 13 GLY 0.000 0.000 . 0 "[ . 1]"
1 14 GLN 0.000 0.000 . 0 "[ . 1]"
1 15 ASP 0.000 0.000 . 0 "[ . 1]"
1 18 VAL 0.000 0.000 . 0 "[ . 1]"
1 20 GLN 0.000 0.000 . 0 "[ . 1]"
1 35 ALA 0.000 0.000 . 0 "[ . 1]"
1 38 GLU 0.000 0.000 . 0 "[ . 1]"
1 39 ARG 0.000 0.000 . 0 "[ . 1]"
1 44 MET 0.034 0.034 4 0 "[ . 1]"
1 77 GLN 0.322 0.145 8 0 "[ . 1]"
2 24 GLN 0.016 0.016 7 0 "[ . 1]"
2 25 ASP 0.000 0.000 3 0 "[ . 1]"
2 28 VAL 0.000 0.000 . 0 "[ . 1]"
2 45 ALA 0.000 0.000 . 0 "[ . 1]"
2 54 MET 0.000 0.000 . 0 "[ . 1]"
2 87 GLN 0.000 0.000 . 0 "[ . 1]"
3 1 THR 0.371 0.145 8 0 "[ . 1]"
3 25 ASP 0.371 0.145 8 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 2 24 GLN H 3 1 THR CB 15.000 . 15.000 14.527 13.450 15.016 0.016 7 0 "[ . 1]" 3
2 2 25 ASP H 3 1 THR CB 15.000 . 15.000 13.432 12.010 15.000 0.000 3 0 "[ . 1]" 3
3 2 28 VAL H 3 1 THR CB 20.000 . 20.000 8.621 7.175 10.574 . 0 0 "[ . 1]" 3
4 2 45 ALA H 3 1 THR CB 20.000 . 20.000 12.552 10.236 15.483 . 0 0 "[ . 1]" 3
5 2 54 MET H 3 1 THR CB 20.000 . 20.000 16.835 14.838 18.190 . 0 0 "[ . 1]" 3
6 2 87 GLN H 3 1 THR CB 20.000 . 20.000 17.730 16.816 18.542 . 0 0 "[ . 1]" 3
7 1 13 GLY H 3 1 THR CB 20.000 . 20.000 8.275 6.758 10.104 . 0 0 "[ . 1]" 3
8 1 14 GLN H 3 1 THR CB 15.000 . 15.000 11.012 9.862 11.929 . 0 0 "[ . 1]" 3
9 1 15 ASP H 3 1 THR CB 15.000 . 15.000 10.122 8.588 11.084 . 0 0 "[ . 1]" 3
10 1 18 VAL H 3 1 THR CB 20.000 . 20.000 6.558 4.644 9.485 . 0 0 "[ . 1]" 3
11 1 20 GLN H 3 1 THR CB 20.000 . 20.000 7.477 4.127 10.752 . 0 0 "[ . 1]" 3
12 1 35 ALA H 3 1 THR CB 20.000 . 20.000 12.581 10.670 13.684 . 0 0 "[ . 1]" 3
13 1 38 GLU H 3 1 THR CB 20.000 . 20.000 10.602 9.103 11.978 . 0 0 "[ . 1]" 3
14 1 39 ARG H 3 1 THR CB 20.000 . 20.000 8.381 6.718 9.830 . 0 0 "[ . 1]" 3
15 1 44 MET H 3 1 THR CB 15.000 . 15.000 14.106 12.978 15.034 0.034 4 0 "[ . 1]" 3
16 1 77 GLN H 3 1 THR CB 15.000 . 15.000 14.982 14.737 15.145 0.145 8 0 "[ . 1]" 3
stop_
save_
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