NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
436083 |
2k05   |
15637 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k05
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 1882
_Distance_constraint_stats_list.Viol_count 3858
_Distance_constraint_stats_list.Viol_total 6111.411
_Distance_constraint_stats_list.Viol_max 1.541
_Distance_constraint_stats_list.Viol_rms 0.0391
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0081
_Distance_constraint_stats_list.Viol_average_violations_only 0.0792
_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 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 SER 0.331 0.089 13 0 "[ . 1 . 2]"
1 9 TYR 0.331 0.089 13 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 CYS 1.246 0.244 7 0 "[ . 1 . 2]"
1 12 PRO 1.164 0.119 12 0 "[ . 1 . 2]"
1 13 CYS 0.113 0.056 5 0 "[ . 1 . 2]"
1 14 ARG 0.139 0.053 17 0 "[ . 1 . 2]"
1 15 PHE 0.178 0.053 17 0 "[ . 1 . 2]"
1 16 PHE 0.193 0.118 19 0 "[ . 1 . 2]"
1 17 GLU 4.294 0.227 16 0 "[ . 1 . 2]"
1 18 SER 1.405 0.173 17 0 "[ . 1 . 2]"
1 19 HIS 0.597 0.079 12 0 "[ . 1 . 2]"
1 20 VAL 6.871 0.452 7 0 "[ . 1 . 2]"
1 21 ALA 1.790 0.193 20 0 "[ . 1 . 2]"
1 22 ARG 3.747 0.267 5 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.865 0.162 18 0 "[ . 1 . 2]"
1 25 VAL 16.956 0.675 12 9 "[* - *1 +**.*** 2]"
1 26 LYS 4.745 0.265 12 0 "[ . 1 . 2]"
1 27 HIS 9.153 0.225 17 0 "[ . 1 . 2]"
1 28 LEU 3.100 0.150 5 0 "[ . 1 . 2]"
1 29 LYS 5.893 0.251 19 0 "[ . 1 . 2]"
1 30 ILE 2.201 0.139 10 0 "[ . 1 . 2]"
1 31 LEU 4.412 0.679 12 2 "[ . - 1 + . 2]"
1 32 ASN 0.006 0.006 14 0 "[ . 1 . 2]"
1 33 THR 0.951 0.091 2 0 "[ . 1 . 2]"
1 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 1.622 0.244 7 0 "[ . 1 . 2]"
1 37 ALA 0.994 0.101 16 0 "[ . 1 . 2]"
1 38 CYS 0.383 0.169 8 0 "[ . 1 . 2]"
1 39 GLN 3.296 0.135 20 0 "[ . 1 . 2]"
1 40 ILE 2.956 0.268 20 0 "[ . 1 . 2]"
1 41 VAL 1.479 0.107 14 0 "[ . 1 . 2]"
1 42 ALA 0.729 0.093 4 0 "[ . 1 . 2]"
1 43 ARG 2.509 0.183 12 0 "[ . 1 . 2]"
1 44 LEU 3.130 0.128 18 0 "[ . 1 . 2]"
1 45 LYS 6.043 0.255 16 0 "[ . 1 . 2]"
1 48 ASN 0.432 0.080 19 0 "[ . 1 . 2]"
1 49 ARG 2.536 0.143 8 0 "[ . 1 . 2]"
1 50 GLN 0.817 0.183 12 0 "[ . 1 . 2]"
1 51 VAL 6.582 0.777 19 6 "[* . * *1 -. *+2]"
1 52 CYS 0.113 0.056 5 0 "[ . 1 . 2]"
1 53 ILE 4.871 0.268 20 0 "[ . 1 . 2]"
1 54 ASP 2.531 0.173 17 0 "[ . 1 . 2]"
1 55 PRO 1.371 0.130 9 0 "[ . 1 . 2]"
1 56 LYS 1.059 0.213 5 0 "[ . 1 . 2]"
1 57 LEU 3.997 0.149 14 0 "[ . 1 . 2]"
1 58 LYS 2.166 0.136 4 0 "[ . 1 . 2]"
1 59 TRP 2.713 0.116 13 0 "[ . 1 . 2]"
1 60 ILE 1.434 0.167 17 0 "[ . 1 . 2]"
1 61 GLN 0.608 0.102 8 0 "[ . 1 . 2]"
1 62 GLU 2.665 0.263 1 0 "[ . 1 . 2]"
1 63 TYR 2.130 0.165 10 0 "[ . 1 . 2]"
1 64 LEU 2.053 0.109 6 0 "[ . 1 . 2]"
1 65 GLU 5.078 0.201 10 0 "[ . 1 . 2]"
1 66 LYS 4.677 0.279 4 0 "[ . 1 . 2]"
1 67 CYS 3.029 0.226 5 0 "[ . 1 . 2]"
1 68 LEU 8.378 0.264 16 0 "[ . 1 . 2]"
1 69 ASN 3.172 0.189 1 0 "[ . 1 . 2]"
1 70 LYS 5.101 0.252 7 0 "[ . 1 . 2]"
2 4 GLU 0.006 0.006 13 0 "[ . 1 . 2]"
2 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ILE 0.265 0.043 16 0 "[ . 1 . 2]"
2 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 ILE 16.346 1.541 19 7 "[ * -* 1 ** * +2]"
2 9 TYS 29.609 1.541 19 15 "[***** * * ***-**+*]"
2 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 TYS 3.442 0.679 12 2 "[ . - 1 + . 2]"
2 15 THR 4.050 0.156 6 0 "[ . 1 . 2]"
2 16 GLU 0.597 0.111 5 0 "[ . 1 . 2]"
2 17 GLU 0.820 0.116 11 0 "[ . 1 . 2]"
2 18 MET 0.196 0.116 11 0 "[ . 1 . 2]"
2 21 GLY 0.118 0.118 19 0 "[ . 1 . 2]"
2 22 ASP 3.428 0.217 6 0 "[ . 1 . 2]"
2 23 TYS 7.000 0.777 19 6 "[* . * *1 -. *+2]"
2 24 ASP 3.548 0.175 5 0 "[ . 1 . 2]"
2 25 SER 7.416 0.227 16 0 "[ . 1 . 2]"
2 26 MET 0.641 0.027 12 0 "[ . 1 . 2]"
2 27 LYS 4.994 0.266 6 0 "[ . 1 . 2]"
2 28 GLU 0.471 0.124 6 0 "[ . 1 . 2]"
2 29 PRO 5.186 0.247 18 0 "[ . 1 . 2]"
2 30 ALA 3.279 0.224 14 0 "[ . 1 . 2]"
2 31 PHE 6.059 0.224 14 0 "[ . 1 . 2]"
2 32 ARG 1.172 0.284 15 0 "[ . 1 . 2]"
2 33 GLU 1.406 0.161 13 0 "[ . 1 . 2]"
2 34 GLU 2.388 0.161 13 0 "[ . 1 . 2]"
2 38 PHE 1.971 0.131 14 0 "[ . 1 . 2]"
2 40 LYS 3.427 0.204 11 0 "[ . 1 . 2]"
3 7 LEU 0.001 0.001 3 0 "[ . 1 . 2]"
3 8 SER 0.144 0.042 17 0 "[ . 1 . 2]"
3 9 TYR 0.144 0.042 17 0 "[ . 1 . 2]"
3 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
3 11 CYS 1.301 0.181 16 0 "[ . 1 . 2]"
3 12 PRO 1.072 0.135 17 0 "[ . 1 . 2]"
3 13 CYS 0.174 0.112 5 0 "[ . 1 . 2]"
3 14 ARG 0.457 0.116 8 0 "[ . 1 . 2]"
3 15 PHE 0.540 0.116 8 0 "[ . 1 . 2]"
3 16 PHE 0.220 0.091 19 0 "[ . 1 . 2]"
3 17 GLU 3.852 0.249 20 0 "[ . 1 . 2]"
3 18 SER 1.138 0.147 15 0 "[ . 1 . 2]"
3 19 HIS 0.427 0.126 8 0 "[ . 1 . 2]"
3 20 VAL 6.362 0.399 19 0 "[ . 1 . 2]"
3 21 ALA 1.787 0.124 1 0 "[ . 1 . 2]"
3 22 ARG 2.739 0.406 10 0 "[ . 1 . 2]"
3 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
3 24 ASN 1.144 0.193 18 0 "[ . 1 . 2]"
3 25 VAL 16.822 0.755 18 11 "[****. * * **.- + *]"
3 26 LYS 4.099 0.174 18 0 "[ . 1 . 2]"
3 27 HIS 8.897 0.170 10 0 "[ . 1 . 2]"
3 28 LEU 2.477 0.139 10 0 "[ . 1 . 2]"
3 29 LYS 6.039 0.239 19 0 "[ . 1 . 2]"
3 30 ILE 2.602 0.150 5 0 "[ . 1 . 2]"
3 31 LEU 5.024 1.157 16 2 "[ . 1 -.+ 2]"
3 32 ASN 0.040 0.023 2 0 "[ . 1 . 2]"
3 33 THR 1.050 0.096 11 0 "[ . 1 . 2]"
3 34 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
3 36 CYS 1.683 0.181 16 0 "[ . 1 . 2]"
3 37 ALA 0.778 0.130 9 0 "[ . 1 . 2]"
3 38 CYS 0.047 0.026 4 0 "[ . 1 . 2]"
3 39 GLN 4.308 0.180 4 0 "[ . 1 . 2]"
3 40 ILE 3.072 0.252 11 0 "[ . 1 . 2]"
3 41 VAL 2.052 0.180 4 0 "[ . 1 . 2]"
3 42 ALA 0.554 0.081 9 0 "[ . 1 . 2]"
3 43 ARG 2.439 0.170 10 0 "[ . 1 . 2]"
3 44 LEU 3.061 0.210 16 0 "[ . 1 . 2]"
3 45 LYS 6.646 0.255 16 0 "[ . 1 . 2]"
3 48 ASN 0.226 0.064 16 0 "[ . 1 . 2]"
3 49 ARG 3.117 0.153 1 0 "[ . 1 . 2]"
3 50 GLN 0.614 0.098 3 0 "[ . 1 . 2]"
3 51 VAL 4.356 0.735 16 1 "[ . 1 .+ 2]"
3 52 CYS 0.222 0.112 5 0 "[ . 1 . 2]"
3 53 ILE 5.172 0.252 11 0 "[ . 1 . 2]"
3 54 ASP 2.625 0.185 15 0 "[ . 1 . 2]"
3 55 PRO 1.920 0.167 3 0 "[ . 1 . 2]"
3 56 LYS 1.706 0.222 2 0 "[ . 1 . 2]"
3 57 LEU 4.165 0.282 12 0 "[ . 1 . 2]"
3 58 LYS 1.876 0.148 15 0 "[ . 1 . 2]"
3 59 TRP 2.176 0.109 14 0 "[ . 1 . 2]"
3 60 ILE 1.511 0.140 1 0 "[ . 1 . 2]"
3 61 GLN 0.854 0.145 4 0 "[ . 1 . 2]"
3 62 GLU 2.260 0.148 15 0 "[ . 1 . 2]"
3 63 TYR 2.639 0.406 10 0 "[ . 1 . 2]"
3 64 LEU 2.099 0.099 19 0 "[ . 1 . 2]"
3 65 GLU 5.092 0.177 12 0 "[ . 1 . 2]"
3 66 LYS 5.284 0.290 14 0 "[ . 1 . 2]"
3 67 CYS 3.434 0.194 2 0 "[ . 1 . 2]"
3 68 LEU 8.235 0.247 18 0 "[ . 1 . 2]"
3 69 ASN 2.002 0.167 20 0 "[ . 1 . 2]"
3 70 LYS 5.083 0.245 6 0 "[ . 1 . 2]"
4 4 GLU 0.003 0.003 13 0 "[ . 1 . 2]"
4 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
4 6 ILE 0.435 0.120 20 0 "[ . 1 . 2]"
4 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 8 ILE 11.567 0.869 17 5 "[ * 1 *-* + 2]"
4 9 TYS 24.020 0.869 17 10 "[* - *1 *****+* 2]"
4 10 THR 0.000 0.000 . 0 "[ . 1 . 2]"
4 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
4 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
4 13 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
4 14 TYS 3.457 1.157 16 2 "[ . 1 -.+ 2]"
4 15 THR 3.900 0.196 20 0 "[ . 1 . 2]"
4 16 GLU 0.677 0.121 5 0 "[ . 1 . 2]"
4 17 GLU 0.829 0.125 8 0 "[ . 1 . 2]"
4 18 MET 0.236 0.116 11 0 "[ . 1 . 2]"
4 21 GLY 0.142 0.091 19 0 "[ . 1 . 2]"
4 22 ASP 3.569 0.208 17 0 "[ . 1 . 2]"
4 23 TYS 4.546 0.735 16 1 "[ . 1 .+ 2]"
4 24 ASP 3.785 0.226 16 0 "[ . 1 . 2]"
4 25 SER 7.408 0.226 16 0 "[ . 1 . 2]"
4 26 MET 0.672 0.034 19 0 "[ . 1 . 2]"
4 27 LYS 4.393 0.226 13 0 "[ . 1 . 2]"
4 28 GLU 0.305 0.110 12 0 "[ . 1 . 2]"
4 29 PRO 4.764 0.264 16 0 "[ . 1 . 2]"
4 30 ALA 2.995 0.209 15 0 "[ . 1 . 2]"
4 31 PHE 5.668 0.209 15 0 "[ . 1 . 2]"
4 32 ARG 1.042 0.148 6 0 "[ . 1 . 2]"
4 33 GLU 1.757 0.158 20 0 "[ . 1 . 2]"
4 34 GLU 2.304 0.158 20 0 "[ . 1 . 2]"
4 38 PHE 1.942 0.155 19 0 "[ . 1 . 2]"
4 40 LYS 3.294 0.212 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 LEU HA 1 7 LEU QD . . 3.450 2.894 2.008 3.424 . 0 0 "[ . 1 . 2]" 1
2 1 8 SER HA 1 9 TYR QD . . 4.350 3.911 3.193 4.439 0.089 13 0 "[ . 1 . 2]" 1
3 1 8 SER QB 1 9 TYR QD . . 4.410 3.883 2.428 4.454 0.044 18 0 "[ . 1 . 2]" 1
4 1 9 TYR HA 1 9 TYR QD . . 3.860 3.190 2.627 3.802 . 0 0 "[ . 1 . 2]" 1
5 1 10 ARG HA 1 10 ARG QD . . 4.430 3.705 1.896 4.300 . 0 0 "[ . 1 . 2]" 1
6 1 10 ARG HA 1 10 ARG QG . . 3.940 2.581 2.393 3.144 . 0 0 "[ . 1 . 2]" 1
7 1 11 CYS CB 1 36 CYS CB . . 3.990 3.986 3.222 4.234 0.244 7 0 "[ . 1 . 2]" 1
8 1 11 CYS CB 1 36 CYS SG . . 3.100 3.023 2.960 3.085 . 0 0 "[ . 1 . 2]" 1
9 1 11 CYS QB 1 12 PRO QD . . 4.690 3.020 2.366 3.553 . 0 0 "[ . 1 . 2]" 1
10 1 11 CYS HB2 1 12 PRO QD . . 5.440 3.891 3.646 4.037 . 0 0 "[ . 1 . 2]" 1
11 1 11 CYS HB3 1 12 PRO QD . . 5.440 3.257 2.397 4.089 . 0 0 "[ . 1 . 2]" 1
12 1 11 CYS SG 1 36 CYS CB . . 3.100 3.034 2.981 3.071 . 0 0 "[ . 1 . 2]" 1
13 1 11 CYS SG 1 36 CYS SG . . 2.100 2.024 2.011 2.037 . 0 0 "[ . 1 . 2]" 1
14 1 12 PRO HB2 1 31 LEU MD1 . . 5.500 4.705 3.090 5.550 0.050 13 0 "[ . 1 . 2]" 1
15 1 12 PRO HB2 1 31 LEU QD . . 4.480 3.987 3.016 4.599 0.119 12 0 "[ . 1 . 2]" 1
16 1 12 PRO HB2 1 31 LEU MD2 . . 5.500 4.520 3.083 5.526 0.026 12 0 "[ . 1 . 2]" 1
17 1 12 PRO HB2 1 33 THR MG . . 5.310 4.857 3.353 5.351 0.041 9 0 "[ . 1 . 2]" 1
18 1 12 PRO HB3 1 13 CYS H . . 4.480 3.688 3.392 4.029 . 0 0 "[ . 1 . 2]" 1
19 1 12 PRO HB3 1 31 LEU QD . . 4.540 3.562 2.352 4.550 0.010 7 0 "[ . 1 . 2]" 1
20 1 12 PRO HB3 1 33 THR MG . . 5.020 4.859 4.096 5.111 0.091 2 0 "[ . 1 . 2]" 1
21 1 12 PRO QD 1 13 CYS H . . 4.540 2.878 2.068 3.290 . 0 0 "[ . 1 . 2]" 1
22 1 12 PRO QD 1 31 LEU QD . . 4.510 3.861 3.061 4.546 0.036 12 0 "[ . 1 . 2]" 1
23 1 12 PRO QD 1 33 THR MG . . 4.490 1.931 1.777 2.141 . 0 0 "[ . 1 . 2]" 1
24 1 12 PRO QG 1 31 LEU QD . . 4.000 2.573 1.861 3.607 . 0 0 "[ . 1 . 2]" 1
25 1 12 PRO QG 1 33 THR MG . . 4.340 2.976 2.116 3.303 . 0 0 "[ . 1 . 2]" 1
26 1 13 CYS CB 1 52 CYS CB . . 3.990 3.501 3.270 4.046 0.056 5 0 "[ . 1 . 2]" 1
27 1 13 CYS CB 1 52 CYS SG . . 3.100 3.015 2.975 3.058 . 0 0 "[ . 1 . 2]" 1
28 1 13 CYS SG 1 52 CYS CB . . 3.100 3.017 2.986 3.049 . 0 0 "[ . 1 . 2]" 1
29 1 13 CYS SG 1 52 CYS SG . . 2.100 2.016 1.991 2.027 . 0 0 "[ . 1 . 2]" 1
30 1 14 ARG HA 1 14 ARG QD . . 4.530 3.355 2.033 4.214 . 0 0 "[ . 1 . 2]" 1
31 1 14 ARG HA 1 14 ARG HG2 . . 4.120 3.036 2.532 3.827 . 0 0 "[ . 1 . 2]" 1
32 1 14 ARG HA 1 14 ARG HG3 . . 4.120 3.257 2.516 3.847 . 0 0 "[ . 1 . 2]" 1
33 1 14 ARG QB 1 15 PHE QD . . 4.200 2.734 2.171 3.265 . 0 0 "[ . 1 . 2]" 1
34 1 14 ARG QB 1 15 PHE QE . . 4.820 3.505 2.983 4.199 . 0 0 "[ . 1 . 2]" 1
35 1 14 ARG QD 1 15 PHE QE . . 4.250 3.196 2.214 4.303 0.053 17 0 "[ . 1 . 2]" 1
36 1 14 ARG QG 1 15 PHE QD . . 4.430 3.754 2.970 4.426 . 0 0 "[ . 1 . 2]" 1
37 1 14 ARG QG 1 15 PHE QE . . 4.910 3.605 2.656 4.693 . 0 0 "[ . 1 . 2]" 1
38 1 15 PHE H 1 15 PHE QD . . 5.500 2.996 2.652 3.453 . 0 0 "[ . 1 . 2]" 1
39 1 15 PHE H 1 15 PHE QE . . 5.500 4.917 4.614 5.280 . 0 0 "[ . 1 . 2]" 1
40 1 15 PHE H 1 16 PHE H . . 5.500 4.380 4.257 4.491 . 0 0 "[ . 1 . 2]" 1
41 1 15 PHE HA 1 15 PHE QD . . 3.840 2.825 2.603 3.100 . 0 0 "[ . 1 . 2]" 1
42 1 15 PHE HA 1 15 PHE QE . . 4.670 4.633 4.581 4.692 0.022 6 0 "[ . 1 . 2]" 1
43 1 15 PHE HA 1 16 PHE QD . . 4.620 3.597 3.067 3.999 . 0 0 "[ . 1 . 2]" 1
44 1 15 PHE QB 1 16 PHE H . . 4.240 2.631 2.344 3.112 . 0 0 "[ . 1 . 2]" 1
45 1 15 PHE QD 1 16 PHE H . . 5.080 3.829 3.559 4.201 . 0 0 "[ . 1 . 2]" 1
46 1 16 PHE H 1 16 PHE QD . . 4.930 3.035 2.656 3.292 . 0 0 "[ . 1 . 2]" 1
47 1 16 PHE H 2 21 GLY QA . . 5.070 3.930 3.010 5.188 0.118 19 0 "[ . 1 . 2]" 1
48 1 16 PHE HB2 1 17 GLU H . . 5.350 3.062 2.701 4.204 . 0 0 "[ . 1 . 2]" 1
49 1 16 PHE HB2 1 52 CYS HB2 . . 5.500 4.182 3.128 5.458 . 0 0 "[ . 1 . 2]" 1
50 1 16 PHE HB2 1 54 ASP H . . 4.780 3.164 2.641 4.342 . 0 0 "[ . 1 . 2]" 1
51 1 16 PHE HB2 1 54 ASP HA . . 5.500 3.032 1.911 3.994 . 0 0 "[ . 1 . 2]" 1
52 1 16 PHE HB3 1 17 GLU H . . 5.280 3.723 3.004 4.043 . 0 0 "[ . 1 . 2]" 1
53 1 16 PHE HB3 1 54 ASP HA . . 5.500 3.799 2.066 4.954 . 0 0 "[ . 1 . 2]" 1
54 1 16 PHE QD 1 17 GLU H . . 5.500 4.194 3.869 4.764 . 0 0 "[ . 1 . 2]" 1
55 1 16 PHE QD 1 54 ASP H . . 4.610 3.606 2.789 4.675 0.065 7 0 "[ . 1 . 2]" 1
56 1 16 PHE QD 1 54 ASP QB . . 4.520 2.467 2.028 4.327 . 0 0 "[ . 1 . 2]" 1
57 1 16 PHE QD 1 55 PRO QD . . 5.030 3.948 2.887 5.040 0.010 20 0 "[ . 1 . 2]" 1
58 1 17 GLU H 1 17 GLU HG2 . . 5.090 3.884 2.104 4.699 . 0 0 "[ . 1 . 2]" 1
59 1 17 GLU H 1 17 GLU QG . . 4.430 3.419 2.092 4.033 . 0 0 "[ . 1 . 2]" 1
60 1 17 GLU H 1 17 GLU HG3 . . 5.090 3.872 2.596 4.396 . 0 0 "[ . 1 . 2]" 1
61 1 17 GLU H 1 20 VAL QG . . 4.960 4.665 3.962 5.077 0.117 11 0 "[ . 1 . 2]" 1
62 1 17 GLU H 1 53 ILE HA . . 5.230 2.870 2.108 3.450 . 0 0 "[ . 1 . 2]" 1
63 1 17 GLU H 1 53 ILE MD . . 5.500 4.578 3.403 5.633 0.133 12 0 "[ . 1 . 2]" 1
64 1 17 GLU H 1 54 ASP H . . 5.070 3.956 3.013 4.662 . 0 0 "[ . 1 . 2]" 1
65 1 17 GLU HB2 1 20 VAL QG . . 4.210 3.171 2.274 4.290 0.080 1 0 "[ . 1 . 2]" 1
66 1 17 GLU HB3 1 20 VAL QG . . 3.690 2.765 2.128 3.394 . 0 0 "[ . 1 . 2]" 1
67 1 17 GLU HB3 1 53 ILE MG . . 5.160 3.975 2.603 5.205 0.045 2 0 "[ . 1 . 2]" 1
68 1 17 GLU QG 2 25 SER HA . . 4.560 4.522 4.078 4.787 0.227 16 0 "[ . 1 . 2]" 1
69 1 17 GLU HG2 1 20 VAL QG . . 3.850 3.304 3.056 4.073 0.223 19 0 "[ . 1 . 2]" 1
70 1 17 GLU HG3 1 20 VAL QG . . 3.850 3.746 2.443 4.064 0.214 13 0 "[ . 1 . 2]" 1
71 1 18 SER HA 1 54 ASP H . . 4.850 3.315 2.702 4.113 . 0 0 "[ . 1 . 2]" 1
72 1 18 SER HA 1 54 ASP HB2 . . 5.500 3.466 2.059 5.131 . 0 0 "[ . 1 . 2]" 1
73 1 18 SER HA 1 54 ASP HB3 . . 5.500 3.223 2.064 4.851 . 0 0 "[ . 1 . 2]" 1
74 1 18 SER HA 1 57 LEU MD1 . . 4.990 2.311 1.874 3.124 . 0 0 "[ . 1 . 2]" 1
75 1 18 SER HA 1 57 LEU MD2 . . 5.020 3.115 1.812 4.272 . 0 0 "[ . 1 . 2]" 1
76 1 18 SER QB 1 54 ASP H . . 4.590 4.513 3.980 4.763 0.173 17 0 "[ . 1 . 2]" 1
77 1 18 SER QB 1 54 ASP QB . . 4.760 3.131 2.248 4.101 . 0 0 "[ . 1 . 2]" 1
78 1 18 SER QB 1 57 LEU MD2 . . 4.500 3.315 1.853 4.566 0.066 1 0 "[ . 1 . 2]" 1
79 1 18 SER HB2 1 19 HIS HD2 . . 4.600 3.665 2.279 4.679 0.079 12 0 "[ . 1 . 2]" 1
80 1 18 SER HB3 1 19 HIS HD2 . . 4.600 3.917 2.813 4.664 0.064 12 0 "[ . 1 . 2]" 1
81 1 19 HIS HA 1 19 HIS HD2 . . 4.680 3.333 2.182 4.148 . 0 0 "[ . 1 . 2]" 1
82 1 19 HIS QB 1 19 HIS HE1 . . 4.840 4.370 4.323 4.446 . 0 0 "[ . 1 . 2]" 1
83 1 19 HIS QB 1 20 VAL H . . 4.500 3.697 2.468 3.887 . 0 0 "[ . 1 . 2]" 1
84 1 19 HIS HD2 1 57 LEU MD2 . . 4.700 4.287 3.002 4.761 0.061 20 0 "[ . 1 . 2]" 1
85 1 20 VAL H 1 20 VAL QG . . 3.500 2.285 1.820 3.009 . 0 0 "[ . 1 . 2]" 1
86 1 20 VAL HA 1 21 ALA MB . . 5.370 3.968 3.799 4.037 . 0 0 "[ . 1 . 2]" 1
87 1 20 VAL HB 1 53 ILE MG . . 3.850 3.822 3.294 3.976 0.126 19 0 "[ . 1 . 2]" 1
88 1 20 VAL HB 1 57 LEU MD1 . . 4.500 4.006 3.220 4.577 0.077 13 0 "[ . 1 . 2]" 1
89 1 20 VAL HB 1 59 TRP HZ2 . . 5.130 3.866 1.960 4.821 . 0 0 "[ . 1 . 2]" 1
90 1 20 VAL QG 1 21 ALA H . . 4.970 2.101 1.822 2.286 . 0 0 "[ . 1 . 2]" 1
91 1 20 VAL QG 1 24 ASN H . . 4.450 4.380 3.986 4.508 0.058 8 0 "[ . 1 . 2]" 1
92 1 20 VAL QG 1 24 ASN HB2 . . 5.500 4.797 4.262 5.564 0.064 18 0 "[ . 1 . 2]" 1
93 1 20 VAL QG 1 24 ASN HB3 . . 4.690 3.572 3.027 4.744 0.054 3 0 "[ . 1 . 2]" 1
94 1 20 VAL QG 1 24 ASN QD . . 5.220 3.454 1.837 4.621 . 0 0 "[ . 1 . 2]" 1
95 1 20 VAL QG 1 25 VAL H . . 4.320 4.372 4.285 4.453 0.133 19 0 "[ . 1 . 2]" 1
96 1 20 VAL QG 1 54 ASP H . . 4.790 4.593 3.589 4.912 0.122 16 0 "[ . 1 . 2]" 1
97 1 20 VAL QG 1 59 TRP HE1 . . 5.110 2.805 2.102 4.051 . 0 0 "[ . 1 . 2]" 1
98 1 20 VAL QG 1 59 TRP HH2 . . 3.580 3.501 2.978 3.654 0.074 5 0 "[ . 1 . 2]" 1
99 1 20 VAL QG 1 59 TRP HZ2 . . 3.550 2.088 1.704 2.914 . 0 0 "[ . 1 . 2]" 1
100 1 20 VAL QG 2 23 TYS HB2 . . 5.100 3.954 2.441 5.552 0.452 7 0 "[ . 1 . 2]" 1
101 1 20 VAL QG 2 23 TYS HB3 . . 4.910 3.669 2.464 4.745 . 0 0 "[ . 1 . 2]" 1
102 1 21 ALA H 1 24 ASN HB2 . . 5.500 4.433 3.789 5.285 . 0 0 "[ . 1 . 2]" 1
103 1 21 ALA H 1 24 ASN HB3 . . 5.500 3.353 2.792 4.577 . 0 0 "[ . 1 . 2]" 1
104 1 21 ALA H 1 24 ASN QD . . 5.340 3.920 3.120 5.443 0.103 11 0 "[ . 1 . 2]" 1
105 1 21 ALA H 1 25 VAL MG1 . . 5.300 3.974 3.618 4.875 . 0 0 "[ . 1 . 2]" 1
106 1 21 ALA H 1 25 VAL MG2 . . 5.300 5.377 5.315 5.493 0.193 20 0 "[ . 1 . 2]" 1
107 1 21 ALA HA 1 59 TRP HE1 . . 5.060 4.477 3.199 5.116 0.056 20 0 "[ . 1 . 2]" 1
108 1 21 ALA MB 1 22 ARG H . . 4.910 3.071 2.902 3.235 . 0 0 "[ . 1 . 2]" 1
109 1 21 ALA MB 1 23 ALA H . . 5.140 2.710 2.369 3.075 . 0 0 "[ . 1 . 2]" 1
110 1 21 ALA MB 1 24 ASN HB2 . . 4.880 2.487 2.052 4.597 . 0 0 "[ . 1 . 2]" 1
111 1 21 ALA MB 1 24 ASN HB3 . . 4.740 2.340 1.821 3.357 . 0 0 "[ . 1 . 2]" 1
112 1 21 ALA MB 1 25 VAL QG . . 5.440 3.998 3.686 4.337 . 0 0 "[ . 1 . 2]" 1
113 1 22 ARG H 1 22 ARG HG2 . . 5.500 4.039 3.485 4.584 . 0 0 "[ . 1 . 2]" 1
114 1 22 ARG H 1 22 ARG HG3 . . 5.500 3.317 2.058 4.509 . 0 0 "[ . 1 . 2]" 1
115 1 22 ARG HA 1 25 VAL H . . 4.910 3.505 2.834 4.205 . 0 0 "[ . 1 . 2]" 1
116 1 22 ARG HA 1 25 VAL MG1 . . 5.500 3.207 1.918 3.993 . 0 0 "[ . 1 . 2]" 1
117 1 22 ARG HA 1 25 VAL MG2 . . 5.500 2.331 1.804 4.327 . 0 0 "[ . 1 . 2]" 1
118 1 22 ARG HA 1 59 TRP HH2 . . 5.360 3.786 3.456 4.111 . 0 0 "[ . 1 . 2]" 1
119 1 22 ARG HA 1 59 TRP HZ2 . . 5.170 4.059 3.339 4.834 . 0 0 "[ . 1 . 2]" 1
120 1 22 ARG QB 1 59 TRP HH2 . . 4.880 4.416 3.400 4.981 0.101 18 0 "[ . 1 . 2]" 1
121 1 22 ARG HB2 1 23 ALA H . . 5.500 4.050 3.761 4.227 . 0 0 "[ . 1 . 2]" 1
122 1 22 ARG HB3 1 23 ALA H . . 5.500 3.540 2.602 4.412 . 0 0 "[ . 1 . 2]" 1
123 1 22 ARG QD 1 25 VAL H . . 5.040 5.074 4.785 5.307 0.267 5 0 "[ . 1 . 2]" 1
124 1 22 ARG QD 1 59 TRP HB2 . . 5.500 4.422 2.759 4.811 . 0 0 "[ . 1 . 2]" 1
125 1 22 ARG QD 1 59 TRP HB3 . . 5.500 5.408 4.313 5.616 0.116 13 0 "[ . 1 . 2]" 1
126 1 22 ARG QD 1 63 TYR QE . . 4.320 4.344 3.569 4.485 0.165 10 0 "[ . 1 . 2]" 1
127 1 23 ALA H 1 24 ASN H . . 4.850 2.500 2.320 2.737 . 0 0 "[ . 1 . 2]" 1
128 1 23 ALA HA 1 25 VAL H . . 4.690 3.986 3.768 4.305 . 0 0 "[ . 1 . 2]" 1
129 1 23 ALA MB 1 24 ASN H . . 3.770 3.155 2.849 3.274 . 0 0 "[ . 1 . 2]" 1
130 1 23 ALA MB 1 24 ASN HA . . 5.500 3.998 3.868 4.111 . 0 0 "[ . 1 . 2]" 1
131 1 23 ALA MB 1 25 VAL H . . 5.500 4.581 4.373 4.802 . 0 0 "[ . 1 . 2]" 1
132 1 24 ASN H 1 24 ASN HB2 . . 4.070 2.906 2.746 3.855 . 0 0 "[ . 1 . 2]" 1
133 1 24 ASN H 1 24 ASN HB3 . . 3.970 2.614 2.437 3.071 . 0 0 "[ . 1 . 2]" 1
134 1 24 ASN H 1 25 VAL H . . 3.650 2.187 1.949 2.378 . 0 0 "[ . 1 . 2]" 1
135 1 24 ASN HA 1 45 LYS HB2 . . 5.280 4.150 3.362 5.305 0.025 10 0 "[ . 1 . 2]" 1
136 1 24 ASN HA 1 45 LYS HB3 . . 5.280 5.052 3.232 5.347 0.067 8 0 "[ . 1 . 2]" 1
137 1 24 ASN HA 1 45 LYS HD3 . . 4.730 2.526 1.949 3.528 . 0 0 "[ . 1 . 2]" 1
138 1 24 ASN HA 1 45 LYS HG2 . . 5.470 4.255 2.733 5.050 . 0 0 "[ . 1 . 2]" 1
139 1 24 ASN HA 1 45 LYS HG3 . . 5.310 3.416 2.355 5.228 . 0 0 "[ . 1 . 2]" 1
140 1 24 ASN HB2 1 25 VAL H . . 4.950 4.317 4.186 4.504 . 0 0 "[ . 1 . 2]" 1
141 1 24 ASN HB2 1 25 VAL QG . . 5.440 4.636 4.299 5.272 . 0 0 "[ . 1 . 2]" 1
142 1 24 ASN HB2 1 44 LEU QD . . 4.950 4.074 3.577 4.687 . 0 0 "[ . 1 . 2]" 1
143 1 24 ASN HB2 1 45 LYS HD3 . . 5.500 4.844 4.081 5.662 0.162 18 0 "[ . 1 . 2]" 1
144 1 24 ASN HB3 1 25 VAL H . . 4.820 3.518 3.205 4.508 . 0 0 "[ . 1 . 2]" 1
145 1 24 ASN HB3 1 44 LEU QD . . 5.280 3.014 2.168 4.648 . 0 0 "[ . 1 . 2]" 1
146 1 24 ASN QD 1 44 LEU HB2 . . 5.340 4.376 3.437 5.106 . 0 0 "[ . 1 . 2]" 1
147 1 24 ASN QD 1 44 LEU QD . . 5.270 2.030 1.561 2.702 . 0 0 "[ . 1 . 2]" 1
148 1 25 VAL H 1 25 VAL MG1 . . 4.420 2.553 2.038 2.773 . 0 0 "[ . 1 . 2]" 1
149 1 25 VAL H 1 25 VAL QG . . 3.290 1.955 1.855 2.069 . 0 0 "[ . 1 . 2]" 1
150 1 25 VAL H 1 25 VAL MG2 . . 4.420 2.107 1.912 3.736 . 0 0 "[ . 1 . 2]" 1
151 1 25 VAL HB 1 44 LEU H . . 5.500 5.556 5.509 5.628 0.128 18 0 "[ . 1 . 2]" 1
152 1 25 VAL QG 1 26 LYS H . . 4.350 3.285 2.359 3.464 . 0 0 "[ . 1 . 2]" 1
153 1 25 VAL QG 1 42 ALA HA . . 4.960 4.410 3.656 4.785 . 0 0 "[ . 1 . 2]" 1
154 1 25 VAL QG 1 44 LEU H . . 5.440 4.452 3.610 4.876 . 0 0 "[ . 1 . 2]" 1
155 1 25 VAL QG 1 59 TRP HH2 . . 3.860 2.258 1.999 2.508 . 0 0 "[ . 1 . 2]" 1
156 1 25 VAL QG 1 59 TRP HZ2 . . 3.740 3.138 2.500 3.752 0.012 20 0 "[ . 1 . 2]" 1
157 1 25 VAL QG 4 9 TYS HB2 . . 4.160 4.014 2.778 4.835 0.675 12 2 "[ . 1 + . - 2]" 1
158 1 25 VAL QG 4 9 TYS HB3 . . 3.750 4.228 4.025 4.336 0.586 14 8 "[* - *1 **+.* * 2]" 1
159 1 26 LYS H 1 26 LYS QD . . 4.460 4.379 3.851 4.564 0.104 18 0 "[ . 1 . 2]" 1
160 1 26 LYS H 1 26 LYS HG2 . . 4.720 3.669 3.415 4.397 . 0 0 "[ . 1 . 2]" 1
161 1 26 LYS H 1 26 LYS QG . . 4.020 2.575 2.277 3.883 . 0 0 "[ . 1 . 2]" 1
162 1 26 LYS H 1 26 LYS HG3 . . 4.720 2.655 2.311 4.322 . 0 0 "[ . 1 . 2]" 1
163 1 26 LYS H 1 27 HIS H . . 3.980 2.417 2.052 3.142 . 0 0 "[ . 1 . 2]" 1
164 1 26 LYS H 1 43 ARG H . . 4.790 3.842 3.491 4.172 . 0 0 "[ . 1 . 2]" 1
165 1 26 LYS H 1 43 ARG O . . 2.000 1.799 1.620 2.004 0.004 1 0 "[ . 1 . 2]" 1
166 1 26 LYS H 1 45 LYS HG3 . . 5.500 4.351 3.438 5.674 0.174 18 0 "[ . 1 . 2]" 1
167 1 26 LYS HA 1 26 LYS QD . . 4.680 3.958 3.842 4.219 . 0 0 "[ . 1 . 2]" 1
168 1 26 LYS HA 1 45 LYS HD2 . . 5.050 4.075 2.435 5.077 0.027 16 0 "[ . 1 . 2]" 1
169 1 26 LYS HA 1 45 LYS HD3 . . 5.500 5.029 2.606 5.634 0.134 4 0 "[ . 1 . 2]" 1
170 1 26 LYS HA 1 45 LYS HG2 . . 5.360 3.885 2.590 5.437 0.077 19 0 "[ . 1 . 2]" 1
171 1 26 LYS HA 1 45 LYS HG3 . . 5.300 4.242 3.455 5.409 0.109 3 0 "[ . 1 . 2]" 1
172 1 26 LYS QB 1 26 LYS QD . . 2.650 2.285 1.907 2.437 . 0 0 "[ . 1 . 2]" 1
173 1 26 LYS QB 1 26 LYS QE . . 2.910 2.134 1.913 3.175 0.265 12 0 "[ . 1 . 2]" 1
174 1 26 LYS QB 1 43 ARG H . . 4.630 3.990 3.265 4.601 . 0 0 "[ . 1 . 2]" 1
175 1 26 LYS QB 1 45 LYS HA . . 5.340 3.988 1.958 4.802 . 0 0 "[ . 1 . 2]" 1
176 1 26 LYS HB2 1 26 LYS QE . . 3.570 2.249 2.068 3.421 . 0 0 "[ . 1 . 2]" 1
177 1 26 LYS HB2 1 27 HIS H . . 4.030 2.762 1.963 3.858 . 0 0 "[ . 1 . 2]" 1
178 1 26 LYS HB3 1 26 LYS QE . . 3.570 2.844 1.992 3.760 0.190 12 0 "[ . 1 . 2]" 1
179 1 26 LYS HB3 1 27 HIS H . . 4.030 3.496 2.491 4.009 . 0 0 "[ . 1 . 2]" 1
180 1 26 LYS QD 1 27 HIS H . . 5.500 5.145 4.196 5.527 0.027 17 0 "[ . 1 . 2]" 1
181 1 26 LYS QE 1 43 ARG H . . 5.120 4.718 4.123 5.201 0.081 14 0 "[ . 1 . 2]" 1
182 1 26 LYS QE 1 45 LYS H . . 5.500 4.388 3.595 5.657 0.157 5 0 "[ . 1 . 2]" 1
183 1 26 LYS QE 1 45 LYS HA . . 4.800 3.010 2.215 3.949 . 0 0 "[ . 1 . 2]" 1
184 1 26 LYS QG 1 27 HIS H . . 3.880 3.951 3.714 4.029 0.149 11 0 "[ . 1 . 2]" 1
185 1 26 LYS QG 1 45 LYS H . . 4.120 3.193 2.712 4.316 0.196 6 0 "[ . 1 . 2]" 1
186 1 26 LYS QG 1 45 LYS HA . . 3.800 2.407 1.724 3.116 . 0 0 "[ . 1 . 2]" 1
187 1 26 LYS HG2 1 45 LYS HA . . 4.570 3.092 2.082 4.535 . 0 0 "[ . 1 . 2]" 1
188 1 26 LYS HG3 1 45 LYS HA . . 4.570 2.536 1.840 3.255 . 0 0 "[ . 1 . 2]" 1
189 1 26 LYS N 1 43 ARG O . . 3.000 2.754 2.598 2.965 . 0 0 "[ . 1 . 2]" 1
190 1 27 HIS H 1 42 ALA HA . . 5.450 4.246 3.947 4.547 . 0 0 "[ . 1 . 2]" 1
191 1 27 HIS H 1 42 ALA MB . . 5.500 3.592 3.246 3.947 . 0 0 "[ . 1 . 2]" 1
192 1 27 HIS H 1 43 ARG H . . 4.320 3.162 2.801 3.531 . 0 0 "[ . 1 . 2]" 1
193 1 27 HIS HA 3 31 LEU HA . . 5.500 3.541 3.052 4.569 . 0 0 "[ . 1 . 2]" 1
194 1 27 HIS HA 3 31 LEU QD . . 5.060 4.099 3.235 4.952 . 0 0 "[ . 1 . 2]" 1
195 1 27 HIS HB2 1 28 LEU H . . 4.880 2.269 1.964 2.469 . 0 0 "[ . 1 . 2]" 1
196 1 27 HIS HB2 3 31 LEU QD . . 5.380 2.559 2.089 3.263 . 0 0 "[ . 1 . 2]" 1
197 1 27 HIS HB3 1 28 LEU H . . 4.960 3.718 3.525 3.878 . 0 0 "[ . 1 . 2]" 1
198 1 27 HIS HB3 3 31 LEU QD . . 4.700 2.635 1.856 3.357 . 0 0 "[ . 1 . 2]" 1
199 1 27 HIS HD2 3 29 LYS QB . . 5.500 4.843 4.516 5.508 0.008 10 0 "[ . 1 . 2]" 1
200 1 27 HIS HD2 3 29 LYS HD2 . . 5.500 3.754 3.203 5.261 . 0 0 "[ . 1 . 2]" 1
201 1 27 HIS HD2 3 29 LYS HD3 . . 5.500 4.214 3.463 5.492 . 0 0 "[ . 1 . 2]" 1
202 1 27 HIS HD2 3 29 LYS QE . . 5.340 5.174 4.072 5.404 0.064 20 0 "[ . 1 . 2]" 1
203 1 27 HIS HD2 3 29 LYS HG2 . . 5.500 3.964 3.511 5.242 . 0 0 "[ . 1 . 2]" 1
204 1 27 HIS HD2 3 29 LYS HG3 . . 5.500 2.923 2.476 4.413 . 0 0 "[ . 1 . 2]" 1
205 1 27 HIS HD2 3 31 LEU QD . . 4.950 3.826 1.613 4.344 . 0 0 "[ . 1 . 2]" 1
206 1 27 HIS HE1 1 29 LYS QE . . 4.620 4.689 4.435 4.838 0.218 18 0 "[ . 1 . 2]" 1
207 1 27 HIS HE1 1 43 ARG QB . . 3.960 3.882 3.256 4.054 0.094 9 0 "[ . 1 . 2]" 1
208 1 27 HIS HE1 1 43 ARG QD . . 4.220 3.519 2.396 4.284 0.064 14 0 "[ . 1 . 2]" 1
209 1 27 HIS HE1 1 43 ARG QG . . 3.980 3.734 2.633 4.096 0.116 2 0 "[ . 1 . 2]" 1
210 1 27 HIS HE1 3 29 LYS HD2 . . 4.300 3.125 2.722 4.357 0.057 7 0 "[ . 1 . 2]" 1
211 1 27 HIS HE1 3 29 LYS HD3 . . 4.300 4.066 2.776 4.445 0.145 15 0 "[ . 1 . 2]" 1
212 1 27 HIS HE1 3 29 LYS QE . . 4.560 4.487 3.262 4.704 0.144 2 0 "[ . 1 . 2]" 1
213 1 27 HIS HE1 3 31 LEU MD1 . . 4.510 4.522 3.756 4.735 0.225 17 0 "[ . 1 . 2]" 1
214 1 27 HIS HE1 3 31 LEU MD2 . . 4.510 4.461 3.613 4.643 0.133 10 0 "[ . 1 . 2]" 1
215 1 28 LEU H 1 28 LEU MD1 . . 4.940 3.202 2.537 4.156 . 0 0 "[ . 1 . 2]" 1
216 1 28 LEU H 1 28 LEU QD . . 4.250 2.930 2.518 3.772 . 0 0 "[ . 1 . 2]" 1
217 1 28 LEU H 1 28 LEU MD2 . . 4.940 4.038 3.561 4.377 . 0 0 "[ . 1 . 2]" 1
218 1 28 LEU H 1 28 LEU HG . . 4.720 3.780 2.873 4.521 . 0 0 "[ . 1 . 2]" 1
219 1 28 LEU H 3 30 ILE H . . 4.870 3.393 2.975 3.702 . 0 0 "[ . 1 . 2]" 1
220 1 28 LEU H 3 30 ILE HB . . 5.360 3.279 2.890 3.704 . 0 0 "[ . 1 . 2]" 1
221 1 28 LEU H 3 30 ILE O . . 2.000 2.027 1.855 2.150 0.150 5 0 "[ . 1 . 2]" 1
222 1 28 LEU HA 1 28 LEU QD . . 3.690 2.512 1.991 2.900 . 0 0 "[ . 1 . 2]" 1
223 1 28 LEU HA 1 43 ARG H . . 5.500 4.447 3.985 5.216 . 0 0 "[ . 1 . 2]" 1
224 1 28 LEU HB2 1 63 TYR QE . . 4.310 3.875 3.305 4.343 0.033 5 0 "[ . 1 . 2]" 1
225 1 28 LEU HB2 3 30 ILE H . . 5.040 3.518 3.124 4.835 . 0 0 "[ . 1 . 2]" 1
226 1 28 LEU HB2 3 30 ILE HB . . 5.500 2.419 2.084 3.433 . 0 0 "[ . 1 . 2]" 1
227 1 28 LEU HB3 1 29 LYS H . . 5.500 3.056 2.508 4.098 . 0 0 "[ . 1 . 2]" 1
228 1 28 LEU HB3 3 30 ILE H . . 4.820 4.252 3.355 4.532 . 0 0 "[ . 1 . 2]" 1
229 1 28 LEU HB3 3 30 ILE HB . . 5.040 3.763 2.006 4.191 . 0 0 "[ . 1 . 2]" 1
230 1 28 LEU QD 1 29 LYS H . . 4.200 3.904 3.127 4.285 0.085 14 0 "[ . 1 . 2]" 1
231 1 28 LEU QD 1 42 ALA HA . . 4.510 4.039 2.971 4.556 0.046 12 0 "[ . 1 . 2]" 1
232 1 28 LEU QD 1 42 ALA MB . . 3.310 2.776 1.913 3.327 0.017 3 0 "[ . 1 . 2]" 1
233 1 28 LEU QD 1 59 TRP HH2 . . 4.100 2.779 1.815 3.570 . 0 0 "[ . 1 . 2]" 1
234 1 28 LEU QD 1 59 TRP HZ2 . . 5.230 4.539 3.779 5.162 . 0 0 "[ . 1 . 2]" 1
235 1 28 LEU QD 1 59 TRP HZ3 . . 4.520 2.237 1.919 2.965 . 0 0 "[ . 1 . 2]" 1
236 1 28 LEU QD 1 60 ILE QG . . 3.740 3.678 3.484 3.798 0.058 19 0 "[ . 1 . 2]" 1
237 1 28 LEU QD 1 63 TYR HB2 . . 4.960 3.876 3.561 4.273 . 0 0 "[ . 1 . 2]" 1
238 1 28 LEU QD 1 63 TYR HB3 . . 5.440 3.388 3.075 3.619 . 0 0 "[ . 1 . 2]" 1
239 1 28 LEU QD 1 63 TYR QD . . 3.940 2.734 2.478 3.054 . 0 0 "[ . 1 . 2]" 1
240 1 28 LEU QD 1 63 TYR QE . . 4.300 2.717 2.418 3.204 . 0 0 "[ . 1 . 2]" 1
241 1 28 LEU QD 1 64 LEU H . . 4.880 4.844 4.591 4.989 0.109 6 0 "[ . 1 . 2]" 1
242 1 28 LEU QD 3 30 ILE HB . . 4.800 3.279 3.052 3.628 . 0 0 "[ . 1 . 2]" 1
243 1 28 LEU QD 3 30 ILE MD . . 3.350 3.020 2.033 3.371 0.021 3 0 "[ . 1 . 2]" 1
244 1 28 LEU QD 3 30 ILE QG . . 4.920 4.254 3.715 4.554 . 0 0 "[ . 1 . 2]" 1
245 1 28 LEU QD 3 30 ILE MG . . 4.190 3.507 3.272 3.840 . 0 0 "[ . 1 . 2]" 1
246 1 28 LEU MD1 1 29 LYS H . . 5.500 4.646 3.176 5.065 . 0 0 "[ . 1 . 2]" 1
247 1 28 LEU MD1 1 59 TRP HH2 . . 4.950 3.473 2.314 4.549 . 0 0 "[ . 1 . 2]" 1
248 1 28 LEU MD1 1 59 TRP HZ3 . . 5.190 2.525 2.043 3.468 . 0 0 "[ . 1 . 2]" 1
249 1 28 LEU MD1 3 30 ILE H . . 5.500 5.031 4.697 5.542 0.042 11 0 "[ . 1 . 2]" 1
250 1 28 LEU MD2 1 29 LYS H . . 5.500 4.337 3.453 4.927 . 0 0 "[ . 1 . 2]" 1
251 1 28 LEU MD2 1 59 TRP HH2 . . 4.950 3.293 1.823 4.256 . 0 0 "[ . 1 . 2]" 1
252 1 28 LEU MD2 1 59 TRP HZ3 . . 5.190 2.627 1.993 3.220 . 0 0 "[ . 1 . 2]" 1
253 1 28 LEU MD2 3 30 ILE H . . 5.500 5.309 4.740 5.629 0.129 7 0 "[ . 1 . 2]" 1
254 1 28 LEU N 3 30 ILE O . . 3.000 2.992 2.819 3.108 0.108 5 0 "[ . 1 . 2]" 1
255 1 28 LEU O 3 30 ILE H . . 2.000 1.768 1.644 2.002 0.002 1 0 "[ . 1 . 2]" 1
256 1 28 LEU O 3 30 ILE N . . 3.000 2.685 2.608 2.890 . 0 0 "[ . 1 . 2]" 1
257 1 29 LYS H 1 29 LYS HG2 . . 5.000 4.479 4.346 4.773 . 0 0 "[ . 1 . 2]" 1
258 1 29 LYS H 1 29 LYS HG3 . . 4.950 4.620 4.289 4.735 . 0 0 "[ . 1 . 2]" 1
259 1 29 LYS H 1 30 ILE H . . 5.140 4.245 4.141 4.361 . 0 0 "[ . 1 . 2]" 1
260 1 29 LYS H 1 40 ILE MD . . 5.500 5.210 4.463 5.531 0.031 1 0 "[ . 1 . 2]" 1
261 1 29 LYS H 1 40 ILE MG . . 4.770 2.826 2.298 3.447 . 0 0 "[ . 1 . 2]" 1
262 1 29 LYS H 1 41 VAL H . . 4.430 2.778 2.552 3.029 . 0 0 "[ . 1 . 2]" 1
263 1 29 LYS H 1 41 VAL MG1 . . 5.500 4.682 4.376 4.834 . 0 0 "[ . 1 . 2]" 1
264 1 29 LYS H 1 41 VAL QG . . 4.260 4.191 4.020 4.314 0.054 8 0 "[ . 1 . 2]" 1
265 1 29 LYS H 1 41 VAL MG2 . . 5.500 4.737 4.485 4.960 . 0 0 "[ . 1 . 2]" 1
266 1 29 LYS H 1 41 VAL O . . 2.000 1.941 1.763 2.048 0.048 7 0 "[ . 1 . 2]" 1
267 1 29 LYS H 1 42 ALA HA . . 4.990 3.480 2.954 3.859 . 0 0 "[ . 1 . 2]" 1
268 1 29 LYS HA 1 29 LYS HD2 . . 5.390 4.684 3.869 4.956 . 0 0 "[ . 1 . 2]" 1
269 1 29 LYS HA 1 29 LYS HD3 . . 5.390 3.985 2.493 4.804 . 0 0 "[ . 1 . 2]" 1
270 1 29 LYS HA 1 29 LYS HE2 . . 5.500 4.968 4.281 5.676 0.176 12 0 "[ . 1 . 2]" 1
271 1 29 LYS HA 1 29 LYS HE3 . . 5.500 4.932 3.418 5.751 0.251 19 0 "[ . 1 . 2]" 1
272 1 29 LYS QB 1 29 LYS HE2 . . 4.670 2.669 2.085 3.588 . 0 0 "[ . 1 . 2]" 1
273 1 29 LYS QB 1 29 LYS QE . . 4.100 2.186 1.908 3.068 . 0 0 "[ . 1 . 2]" 1
274 1 29 LYS QB 1 29 LYS HE3 . . 4.670 2.608 1.922 3.593 . 0 0 "[ . 1 . 2]" 1
275 1 29 LYS QB 1 30 ILE H . . 5.170 3.811 3.686 3.926 . 0 0 "[ . 1 . 2]" 1
276 1 29 LYS QB 1 41 VAL H . . 4.790 3.197 2.737 3.513 . 0 0 "[ . 1 . 2]" 1
277 1 29 LYS QB 3 27 HIS HD2 . . 5.500 4.906 4.476 5.507 0.007 10 0 "[ . 1 . 2]" 1
278 1 29 LYS HD2 1 29 LYS HG2 . . 2.400 2.403 2.350 2.441 0.041 6 0 "[ . 1 . 2]" 1
279 1 29 LYS HD2 3 27 HIS HD2 . . 5.500 3.809 3.378 5.507 0.007 14 0 "[ . 1 . 2]" 1
280 1 29 LYS HD2 3 27 HIS HE1 . . 4.300 3.075 2.726 4.414 0.114 14 0 "[ . 1 . 2]" 1
281 1 29 LYS HD3 3 27 HIS HD2 . . 5.500 4.056 2.702 5.092 . 0 0 "[ . 1 . 2]" 1
282 1 29 LYS HD3 3 27 HIS HE1 . . 4.300 3.980 2.799 4.399 0.099 10 0 "[ . 1 . 2]" 1
283 1 29 LYS QE 1 31 LEU QD . . 4.170 3.007 2.256 4.188 0.018 14 0 "[ . 1 . 2]" 1
284 1 29 LYS QE 3 27 HIS HD2 . . 5.340 5.106 3.902 5.474 0.134 5 0 "[ . 1 . 2]" 1
285 1 29 LYS QE 3 27 HIS HE1 . . 4.560 4.312 3.181 4.680 0.120 18 0 "[ . 1 . 2]" 1
286 1 29 LYS HE2 1 29 LYS HG2 . . 4.090 3.303 2.547 3.796 . 0 0 "[ . 1 . 2]" 1
287 1 29 LYS HE3 1 29 LYS HG2 . . 4.090 2.904 2.497 3.700 . 0 0 "[ . 1 . 2]" 1
288 1 29 LYS HG2 1 30 ILE H . . 4.820 3.660 3.148 4.890 0.070 15 0 "[ . 1 . 2]" 1
289 1 29 LYS HG2 3 27 HIS HD2 . . 5.500 4.181 2.909 5.532 0.032 1 0 "[ . 1 . 2]" 1
290 1 29 LYS HG3 3 27 HIS HD2 . . 5.500 3.082 2.597 4.556 . 0 0 "[ . 1 . 2]" 1
291 1 29 LYS N 1 41 VAL O . . 3.000 2.758 2.652 2.860 . 0 0 "[ . 1 . 2]" 1
292 1 29 LYS O 1 41 VAL H . . 2.000 1.740 1.626 1.906 . 0 0 "[ . 1 . 2]" 1
293 1 29 LYS O 1 41 VAL N . . 3.000 2.710 2.592 2.848 . 0 0 "[ . 1 . 2]" 1
294 1 30 ILE H 1 30 ILE MD . . 4.360 3.901 3.836 4.112 . 0 0 "[ . 1 . 2]" 1
295 1 30 ILE H 1 30 ILE QG . . 4.430 2.497 2.405 2.722 . 0 0 "[ . 1 . 2]" 1
296 1 30 ILE H 1 30 ILE MG . . 4.670 3.831 3.798 3.901 . 0 0 "[ . 1 . 2]" 1
297 1 30 ILE H 3 28 LEU H . . 4.870 3.467 3.141 3.835 . 0 0 "[ . 1 . 2]" 1
298 1 30 ILE H 3 28 LEU HB2 . . 5.040 3.667 3.191 4.914 . 0 0 "[ . 1 . 2]" 1
299 1 30 ILE H 3 28 LEU HB3 . . 4.820 4.218 3.343 4.562 . 0 0 "[ . 1 . 2]" 1
300 1 30 ILE H 3 28 LEU MD1 . . 5.500 5.146 4.774 5.541 0.041 13 0 "[ . 1 . 2]" 1
301 1 30 ILE H 3 28 LEU MD2 . . 5.500 5.307 4.556 5.639 0.139 10 0 "[ . 1 . 2]" 1
302 1 30 ILE H 3 28 LEU O . . 2.000 1.766 1.691 1.859 . 0 0 "[ . 1 . 2]" 1
303 1 30 ILE HA 1 30 ILE MD . . 4.470 3.866 3.851 3.883 . 0 0 "[ . 1 . 2]" 1
304 1 30 ILE HA 1 40 ILE MD . . 5.500 4.230 2.871 4.877 . 0 0 "[ . 1 . 2]" 1
305 1 30 ILE HA 1 40 ILE MG . . 4.860 3.515 2.754 4.295 . 0 0 "[ . 1 . 2]" 1
306 1 30 ILE HB 1 30 ILE MD . . 3.700 2.456 2.437 2.475 . 0 0 "[ . 1 . 2]" 1
307 1 30 ILE HB 1 31 LEU H . . 4.320 4.132 4.022 4.232 . 0 0 "[ . 1 . 2]" 1
308 1 30 ILE HB 3 28 LEU H . . 5.360 3.361 2.837 3.747 . 0 0 "[ . 1 . 2]" 1
309 1 30 ILE HB 3 28 LEU HB2 . . 5.500 2.485 1.953 3.787 . 0 0 "[ . 1 . 2]" 1
310 1 30 ILE HB 3 28 LEU HB3 . . 5.040 3.612 2.254 4.054 . 0 0 "[ . 1 . 2]" 1
311 1 30 ILE HB 3 28 LEU QD . . 4.800 3.320 2.934 3.563 . 0 0 "[ . 1 . 2]" 1
312 1 30 ILE HB 3 63 TYR QE . . 3.980 3.070 2.575 3.907 . 0 0 "[ . 1 . 2]" 1
313 1 30 ILE MD 1 30 ILE MG . . 3.200 1.897 1.832 1.947 . 0 0 "[ . 1 . 2]" 1
314 1 30 ILE MD 1 31 LEU H . . 5.300 5.155 5.046 5.255 . 0 0 "[ . 1 . 2]" 1
315 1 30 ILE MD 3 28 LEU QD . . 3.350 3.088 2.306 3.399 0.049 8 0 "[ . 1 . 2]" 1
316 1 30 ILE MD 3 63 TYR QD . . 3.710 3.474 3.072 3.777 0.067 1 0 "[ . 1 . 2]" 1
317 1 30 ILE MD 3 63 TYR QE . . 3.830 2.829 2.165 3.211 . 0 0 "[ . 1 . 2]" 1
318 1 30 ILE MD 3 64 LEU HA . . 4.780 4.176 3.339 4.642 . 0 0 "[ . 1 . 2]" 1
319 1 30 ILE QG 1 31 LEU H . . 5.170 4.238 4.138 4.319 . 0 0 "[ . 1 . 2]" 1
320 1 30 ILE QG 3 28 LEU QD . . 4.920 4.306 3.739 4.564 . 0 0 "[ . 1 . 2]" 1
321 1 30 ILE QG 3 63 TYR QE . . 4.430 4.248 3.769 4.509 0.079 10 0 "[ . 1 . 2]" 1
322 1 30 ILE MG 1 31 LEU H . . 4.410 2.724 2.538 2.894 . 0 0 "[ . 1 . 2]" 1
323 1 30 ILE MG 1 38 CYS HA . . 5.500 4.132 3.155 4.928 . 0 0 "[ . 1 . 2]" 1
324 1 30 ILE MG 1 40 ILE MD . . 3.590 3.259 2.188 3.629 0.039 13 0 "[ . 1 . 2]" 1
325 1 30 ILE MG 1 40 ILE QG . . 4.080 2.703 2.129 4.112 0.032 10 0 "[ . 1 . 2]" 1
326 1 30 ILE MG 3 28 LEU QD . . 4.190 3.541 3.232 3.911 . 0 0 "[ . 1 . 2]" 1
327 1 30 ILE MG 3 63 TYR QD . . 3.850 3.694 3.234 3.928 0.078 19 0 "[ . 1 . 2]" 1
328 1 30 ILE MG 3 63 TYR QE . . 3.520 1.948 1.800 2.178 . 0 0 "[ . 1 . 2]" 1
329 1 30 ILE N 3 28 LEU O . . 3.000 2.678 2.620 2.792 . 0 0 "[ . 1 . 2]" 1
330 1 30 ILE O 3 28 LEU H . . 2.000 1.979 1.822 2.095 0.095 5 0 "[ . 1 . 2]" 1
331 1 30 ILE O 3 28 LEU N . . 3.000 2.939 2.793 3.062 0.062 5 0 "[ . 1 . 2]" 1
332 1 31 LEU H 1 31 LEU MD1 . . 4.750 2.932 2.446 4.228 . 0 0 "[ . 1 . 2]" 1
333 1 31 LEU H 1 31 LEU QD . . 3.920 2.730 2.433 3.664 . 0 0 "[ . 1 . 2]" 1
334 1 31 LEU H 1 31 LEU MD2 . . 4.750 4.276 2.725 4.678 . 0 0 "[ . 1 . 2]" 1
335 1 31 LEU H 1 39 GLN H . . 4.690 3.487 3.128 3.937 . 0 0 "[ . 1 . 2]" 1
336 1 31 LEU H 1 39 GLN QB . . 5.500 2.997 2.240 3.818 . 0 0 "[ . 1 . 2]" 1
337 1 31 LEU HA 1 39 GLN QB . . 5.500 4.739 4.032 5.480 . 0 0 "[ . 1 . 2]" 1
338 1 31 LEU HA 3 27 HIS HA . . 5.500 3.378 2.922 3.747 . 0 0 "[ . 1 . 2]" 1
339 1 31 LEU QD 2 14 TYS HB2 . . 4.360 3.282 2.047 5.039 0.679 12 2 "[ . - 1 + . 2]" 1
340 1 31 LEU QD 2 14 TYS HB3 . . 4.360 3.059 2.032 4.514 0.154 9 0 "[ . 1 . 2]" 1
341 1 31 LEU QD 3 27 HIS HA . . 5.060 4.105 1.953 4.822 . 0 0 "[ . 1 . 2]" 1
342 1 31 LEU QD 3 27 HIS HB2 . . 5.380 2.691 2.228 3.129 . 0 0 "[ . 1 . 2]" 1
343 1 31 LEU QD 3 27 HIS HB3 . . 4.700 2.803 1.918 3.650 . 0 0 "[ . 1 . 2]" 1
344 1 31 LEU QD 3 27 HIS HD2 . . 4.950 3.934 2.724 4.599 . 0 0 "[ . 1 . 2]" 1
345 1 31 LEU MD1 1 32 ASN H . . 5.500 4.740 2.860 5.506 0.006 14 0 "[ . 1 . 2]" 1
346 1 31 LEU MD1 3 27 HIS HE1 . . 4.510 4.553 4.446 4.625 0.115 12 0 "[ . 1 . 2]" 1
347 1 31 LEU MD2 1 32 ASN H . . 5.500 4.487 3.624 5.271 . 0 0 "[ . 1 . 2]" 1
348 1 31 LEU MD2 3 27 HIS HE1 . . 4.510 4.510 3.967 4.653 0.143 13 0 "[ . 1 . 2]" 1
349 1 33 THR HB 1 34 PRO QD . . 4.890 2.428 1.892 3.177 . 0 0 "[ . 1 . 2]" 1
350 1 33 THR MG 1 34 PRO QD . . 4.340 3.149 2.872 3.320 . 0 0 "[ . 1 . 2]" 1
351 1 33 THR MG 1 36 CYS HB2 . . 5.380 3.553 2.458 4.641 . 0 0 "[ . 1 . 2]" 1
352 1 33 THR MG 1 36 CYS HB3 . . 5.350 4.738 3.749 5.384 0.034 6 0 "[ . 1 . 2]" 1
353 1 33 THR MG 1 39 GLN QE . . 5.340 4.499 2.892 5.429 0.089 12 0 "[ . 1 . 2]" 1
354 1 36 CYS HB2 1 39 GLN HE21 . . 5.140 4.060 2.772 5.196 0.056 4 0 "[ . 1 . 2]" 1
355 1 36 CYS HB2 1 39 GLN QE . . 4.510 3.644 2.571 4.485 . 0 0 "[ . 1 . 2]" 1
356 1 36 CYS HB2 1 39 GLN HE22 . . 5.140 4.440 2.957 5.275 0.135 20 0 "[ . 1 . 2]" 1
357 1 37 ALA MB 1 38 CYS H . . 5.500 2.086 1.772 3.548 . 0 0 "[ . 1 . 2]" 1
358 1 37 ALA MB 1 39 GLN HE21 . . 5.500 4.844 3.379 5.595 0.095 3 0 "[ . 1 . 2]" 1
359 1 37 ALA MB 1 39 GLN HE22 . . 5.500 5.066 2.992 5.601 0.101 16 0 "[ . 1 . 2]" 1
360 1 37 ALA MB 1 56 LYS QD . . 5.270 4.272 3.123 5.305 0.035 20 0 "[ . 1 . 2]" 1
361 1 38 CYS CB 3 67 CYS CB . . 3.990 3.823 3.407 4.159 0.169 8 0 "[ . 1 . 2]" 1
362 1 38 CYS CB 3 67 CYS SG . . 3.100 3.048 3.018 3.075 . 0 0 "[ . 1 . 2]" 1
363 1 38 CYS HB2 1 39 GLN H . . 5.500 4.255 3.712 4.481 . 0 0 "[ . 1 . 2]" 1
364 1 38 CYS HB3 1 39 GLN H . . 5.500 3.887 2.833 4.366 . 0 0 "[ . 1 . 2]" 1
365 1 38 CYS SG 3 67 CYS CB . . 3.100 3.070 3.019 3.122 0.022 10 0 "[ . 1 . 2]" 1
366 1 38 CYS SG 3 67 CYS SG . . 2.100 2.038 2.026 2.050 . 0 0 "[ . 1 . 2]" 1
367 1 39 GLN H 1 39 GLN QE . . 4.950 4.018 3.344 4.715 . 0 0 "[ . 1 . 2]" 1
368 1 39 GLN H 1 39 GLN QG . . 4.760 3.912 2.150 4.403 . 0 0 "[ . 1 . 2]" 1
369 1 39 GLN H 1 55 PRO HG3 . . 4.540 4.572 4.291 4.670 0.130 9 0 "[ . 1 . 2]" 1
370 1 39 GLN QB 1 40 ILE H . . 4.930 3.688 3.078 3.933 . 0 0 "[ . 1 . 2]" 1
371 1 39 GLN QE 1 41 VAL QG . . 4.930 4.829 3.984 5.037 0.107 14 0 "[ . 1 . 2]" 1
372 1 39 GLN QE 1 55 PRO HG3 . . 4.940 4.462 3.298 4.996 0.056 19 0 "[ . 1 . 2]" 1
373 1 40 ILE H 1 40 ILE HB . . 3.950 2.634 2.512 2.785 . 0 0 "[ . 1 . 2]" 1
374 1 40 ILE H 1 40 ILE MD . . 4.160 3.912 3.464 4.145 . 0 0 "[ . 1 . 2]" 1
375 1 40 ILE H 1 40 ILE MG . . 4.150 3.831 3.768 3.895 . 0 0 "[ . 1 . 2]" 1
376 1 40 ILE H 1 53 ILE H . . 5.500 3.757 3.377 3.997 . 0 0 "[ . 1 . 2]" 1
377 1 40 ILE HB 1 40 ILE MD . . 3.640 2.635 2.457 3.254 . 0 0 "[ . 1 . 2]" 1
378 1 40 ILE HB 1 41 VAL H . . 4.160 4.112 3.921 4.200 0.040 8 0 "[ . 1 . 2]" 1
379 1 40 ILE HB 1 53 ILE H . . 5.350 3.201 2.707 3.901 . 0 0 "[ . 1 . 2]" 1
380 1 40 ILE HB 1 53 ILE HB . . 5.270 3.032 1.969 4.038 . 0 0 "[ . 1 . 2]" 1
381 1 40 ILE HB 1 53 ILE MG . . 4.130 3.891 3.006 4.398 0.268 20 0 "[ . 1 . 2]" 1
382 1 40 ILE HB 1 60 ILE QG . . 5.340 4.417 3.805 4.803 . 0 0 "[ . 1 . 2]" 1
383 1 40 ILE MD 1 53 ILE HB . . 4.610 4.081 3.426 4.587 . 0 0 "[ . 1 . 2]" 1
384 1 40 ILE MD 1 60 ILE MD . . 3.270 2.643 2.102 3.308 0.038 6 0 "[ . 1 . 2]" 1
385 1 40 ILE MD 1 60 ILE QG . . 4.190 3.353 2.691 4.243 0.053 10 0 "[ . 1 . 2]" 1
386 1 40 ILE MD 1 60 ILE MG . . 3.350 2.267 1.919 3.137 . 0 0 "[ . 1 . 2]" 1
387 1 40 ILE QG 1 41 VAL H . . 5.500 4.354 4.106 4.842 . 0 0 "[ . 1 . 2]" 1
388 1 40 ILE QG 1 60 ILE QG . . 5.340 4.615 3.079 5.351 0.011 19 0 "[ . 1 . 2]" 1
389 1 40 ILE MG 1 41 VAL H . . 4.170 2.730 2.440 2.979 . 0 0 "[ . 1 . 2]" 1
390 1 40 ILE MG 1 53 ILE H . . 5.500 3.641 3.094 4.064 . 0 0 "[ . 1 . 2]" 1
391 1 40 ILE MG 1 53 ILE HB . . 4.390 3.229 1.957 4.508 0.118 14 0 "[ . 1 . 2]" 1
392 1 40 ILE MG 1 53 ILE QG . . 4.410 2.869 2.267 3.862 . 0 0 "[ . 1 . 2]" 1
393 1 40 ILE MG 1 55 PRO QD . . 5.500 5.231 4.642 5.524 0.024 17 0 "[ . 1 . 2]" 1
394 1 40 ILE O 1 53 ILE H . . 2.000 1.738 1.674 1.826 . 0 0 "[ . 1 . 2]" 1
395 1 40 ILE O 1 53 ILE N . . 3.000 2.692 2.608 2.799 . 0 0 "[ . 1 . 2]" 1
396 1 41 VAL H 1 41 VAL MG1 . . 4.440 3.869 3.786 3.941 . 0 0 "[ . 1 . 2]" 1
397 1 41 VAL H 1 41 VAL QG . . 3.420 2.540 2.361 2.727 . 0 0 "[ . 1 . 2]" 1
398 1 41 VAL H 1 41 VAL MG2 . . 4.440 2.576 2.382 2.780 . 0 0 "[ . 1 . 2]" 1
399 1 41 VAL HA 1 52 CYS HA . . 5.480 2.050 1.833 2.355 . 0 0 "[ . 1 . 2]" 1
400 1 41 VAL HA 1 53 ILE H . . 4.430 2.903 2.191 3.285 . 0 0 "[ . 1 . 2]" 1
401 1 41 VAL QG 1 42 ALA H . . 3.800 2.549 2.249 2.708 . 0 0 "[ . 1 . 2]" 1
402 1 41 VAL QG 1 51 VAL H . . 4.220 3.879 3.517 4.269 0.049 2 0 "[ . 1 . 2]" 1
403 1 41 VAL MG1 1 42 ALA H . . 4.760 2.574 2.260 2.744 . 0 0 "[ . 1 . 2]" 1
404 1 41 VAL MG2 1 42 ALA H . . 4.760 4.136 4.071 4.208 . 0 0 "[ . 1 . 2]" 1
405 1 42 ALA H 1 51 VAL H . . 4.690 3.390 3.139 3.771 . 0 0 "[ . 1 . 2]" 1
406 1 42 ALA H 1 51 VAL O . . 2.000 1.773 1.665 1.991 . 0 0 "[ . 1 . 2]" 1
407 1 42 ALA H 1 53 ILE H . . 5.120 3.995 3.583 4.216 . 0 0 "[ . 1 . 2]" 1
408 1 42 ALA MB 1 43 ARG H . . 3.780 2.810 2.638 3.015 . 0 0 "[ . 1 . 2]" 1
409 1 42 ALA MB 1 51 VAL H . . 4.890 3.704 3.342 3.936 . 0 0 "[ . 1 . 2]" 1
410 1 42 ALA MB 1 51 VAL HB . . 5.430 4.988 4.476 5.456 0.026 19 0 "[ . 1 . 2]" 1
411 1 42 ALA MB 1 51 VAL QG . . 3.150 2.606 2.138 3.165 0.015 18 0 "[ . 1 . 2]" 1
412 1 42 ALA MB 1 53 ILE H . . 4.590 4.372 3.963 4.612 0.022 1 0 "[ . 1 . 2]" 1
413 1 42 ALA MB 1 59 TRP HH2 . . 4.760 3.552 2.962 3.992 . 0 0 "[ . 1 . 2]" 1
414 1 42 ALA MB 1 59 TRP HZ2 . . 4.940 4.633 4.103 5.001 0.061 19 0 "[ . 1 . 2]" 1
415 1 42 ALA N 1 51 VAL O . . 3.000 2.739 2.640 2.962 . 0 0 "[ . 1 . 2]" 1
416 1 42 ALA O 1 51 VAL H . . 2.000 1.923 1.757 2.093 0.093 4 0 "[ . 1 . 2]" 1
417 1 42 ALA O 1 51 VAL N . . 3.000 2.853 2.677 3.048 0.048 4 0 "[ . 1 . 2]" 1
418 1 43 ARG H 1 43 ARG QD . . 5.500 4.180 2.626 4.533 . 0 0 "[ . 1 . 2]" 1
419 1 43 ARG H 1 51 VAL H . . 5.500 4.952 4.770 5.159 . 0 0 "[ . 1 . 2]" 1
420 1 43 ARG HA 1 50 GLN HA . . 5.500 2.431 1.888 3.092 . 0 0 "[ . 1 . 2]" 1
421 1 43 ARG HA 1 50 GLN HG2 . . 5.500 4.799 1.960 5.505 0.005 7 0 "[ . 1 . 2]" 1
422 1 43 ARG HA 1 50 GLN HG3 . . 5.500 4.422 2.639 5.506 0.006 6 0 "[ . 1 . 2]" 1
423 1 43 ARG HA 1 51 VAL H . . 5.500 3.295 2.981 3.786 . 0 0 "[ . 1 . 2]" 1
424 1 43 ARG QB 1 44 LEU H . . 4.600 3.232 2.801 3.960 . 0 0 "[ . 1 . 2]" 1
425 1 43 ARG QB 1 50 GLN QG . . 5.340 4.728 2.851 5.523 0.183 12 0 "[ . 1 . 2]" 1
426 1 43 ARG QD 1 44 LEU H . . 5.120 4.704 3.060 5.181 0.061 16 0 "[ . 1 . 2]" 1
427 1 43 ARG QD 1 50 GLN HB2 . . 5.500 4.388 2.737 5.570 0.070 8 0 "[ . 1 . 2]" 1
428 1 43 ARG QD 1 50 GLN HB3 . . 5.500 3.878 2.354 5.593 0.093 9 0 "[ . 1 . 2]" 1
429 1 43 ARG QD 1 50 GLN QG . . 5.340 4.103 1.887 5.381 0.041 19 0 "[ . 1 . 2]" 1
430 1 44 LEU H 1 44 LEU HB2 . . 4.140 2.405 2.060 2.503 . 0 0 "[ . 1 . 2]" 1
431 1 44 LEU H 1 44 LEU MD1 . . 4.410 3.678 3.446 4.220 . 0 0 "[ . 1 . 2]" 1
432 1 44 LEU H 1 44 LEU MD2 . . 4.410 2.914 1.947 3.705 . 0 0 "[ . 1 . 2]" 1
433 1 44 LEU H 1 44 LEU HG . . 5.010 2.944 2.178 4.274 . 0 0 "[ . 1 . 2]" 1
434 1 44 LEU H 1 50 GLN HA . . 4.890 2.671 2.275 3.440 . 0 0 "[ . 1 . 2]" 1
435 1 44 LEU H 1 51 VAL H . . 5.470 3.788 3.343 4.242 . 0 0 "[ . 1 . 2]" 1
436 1 44 LEU HA 1 44 LEU MD1 . . 4.730 3.269 2.033 3.903 . 0 0 "[ . 1 . 2]" 1
437 1 44 LEU HA 1 44 LEU QD . . 3.580 2.039 1.978 2.137 . 0 0 "[ . 1 . 2]" 1
438 1 44 LEU HA 1 44 LEU MD2 . . 4.730 2.301 1.984 2.951 . 0 0 "[ . 1 . 2]" 1
439 1 44 LEU HB2 1 45 LYS H . . 5.500 3.934 3.605 4.459 . 0 0 "[ . 1 . 2]" 1
440 1 44 LEU HB2 1 49 ARG H . . 3.450 3.366 2.810 3.535 0.085 14 0 "[ . 1 . 2]" 1
441 1 44 LEU HB3 1 45 LYS H . . 4.790 2.862 2.399 3.872 . 0 0 "[ . 1 . 2]" 1
442 1 44 LEU HB3 1 49 ARG H . . 4.670 4.488 2.052 4.758 0.088 10 0 "[ . 1 . 2]" 1
443 1 44 LEU QD 1 45 LYS H . . 3.810 3.275 1.812 3.692 . 0 0 "[ . 1 . 2]" 1
444 1 44 LEU QD 1 48 ASN QB . . 4.880 2.756 1.905 4.926 0.046 14 0 "[ . 1 . 2]" 1
445 1 44 LEU QD 1 49 ARG H . . 4.540 3.037 2.353 3.837 . 0 0 "[ . 1 . 2]" 1
446 1 44 LEU QD 1 49 ARG HA . . 5.440 4.622 4.303 5.469 0.029 16 0 "[ . 1 . 2]" 1
447 1 44 LEU QD 1 49 ARG QB . . 4.600 4.266 3.700 4.651 0.051 6 0 "[ . 1 . 2]" 1
448 1 44 LEU QD 1 49 ARG QD . . 4.170 3.134 2.149 4.285 0.115 20 0 "[ . 1 . 2]" 1
449 1 44 LEU QD 1 50 GLN HA . . 5.380 3.502 2.200 4.655 . 0 0 "[ . 1 . 2]" 1
450 1 44 LEU QD 1 51 VAL H . . 5.440 3.489 2.352 4.321 . 0 0 "[ . 1 . 2]" 1
451 1 44 LEU QD 1 51 VAL HB . . 4.510 4.018 3.688 4.555 0.045 7 0 "[ . 1 . 2]" 1
452 1 44 LEU MD1 1 45 LYS H . . 4.610 4.086 1.824 4.675 0.065 3 0 "[ . 1 . 2]" 1
453 1 44 LEU MD2 1 45 LYS H . . 4.610 3.805 3.091 4.695 0.085 18 0 "[ . 1 . 2]" 1
454 1 44 LEU HG 1 49 ARG H . . 5.220 4.337 3.189 4.788 . 0 0 "[ . 1 . 2]" 1
455 1 44 LEU HG 1 51 VAL QG . . 4.070 2.697 2.022 3.599 . 0 0 "[ . 1 . 2]" 1
456 1 45 LYS H 1 45 LYS HD2 . . 4.010 4.091 3.400 4.265 0.255 16 0 "[ . 1 . 2]" 1
457 1 45 LYS H 1 45 LYS HD3 . . 4.030 3.736 2.854 4.179 0.149 19 0 "[ . 1 . 2]" 1
458 1 45 LYS H 1 45 LYS QE . . 5.500 4.543 3.339 5.539 0.039 19 0 "[ . 1 . 2]" 1
459 1 45 LYS H 1 45 LYS HG2 . . 5.500 3.022 1.784 4.273 . 0 0 "[ . 1 . 2]" 1
460 1 45 LYS H 1 45 LYS HG3 . . 4.130 2.336 1.712 4.195 0.065 18 0 "[ . 1 . 2]" 1
461 1 45 LYS HA 1 45 LYS HD2 . . 4.980 4.433 2.419 4.867 . 0 0 "[ . 1 . 2]" 1
462 1 45 LYS HA 1 45 LYS HD3 . . 5.400 4.595 2.308 5.414 0.014 3 0 "[ . 1 . 2]" 1
463 1 45 LYS HA 1 45 LYS QE . . 4.740 4.319 3.983 4.755 0.015 2 0 "[ . 1 . 2]" 1
464 1 48 ASN HA 1 48 ASN HD21 . . 4.570 3.354 1.809 4.445 . 0 0 "[ . 1 . 2]" 1
465 1 48 ASN HA 1 48 ASN QD . . 3.960 3.156 1.803 4.040 0.080 19 0 "[ . 1 . 2]" 1
466 1 48 ASN HA 1 48 ASN HD22 . . 4.570 4.141 3.419 4.639 0.069 19 0 "[ . 1 . 2]" 1
467 1 48 ASN QB 1 49 ARG H . . 4.110 2.199 1.784 2.956 . 0 0 "[ . 1 . 2]" 1
468 1 48 ASN HB2 1 49 ARG H . . 4.820 3.098 1.844 3.958 . 0 0 "[ . 1 . 2]" 1
469 1 48 ASN HB3 1 49 ARG H . . 4.820 2.468 1.795 3.414 . 0 0 "[ . 1 . 2]" 1
470 1 49 ARG H 1 49 ARG HD2 . . 4.580 3.732 2.069 4.613 0.033 20 0 "[ . 1 . 2]" 1
471 1 49 ARG H 1 49 ARG QD . . 4.000 3.229 2.061 4.086 0.086 7 0 "[ . 1 . 2]" 1
472 1 49 ARG H 1 49 ARG HD3 . . 4.580 3.943 2.543 4.641 0.061 16 0 "[ . 1 . 2]" 1
473 1 49 ARG H 1 49 ARG QG . . 3.730 2.507 1.946 3.626 . 0 0 "[ . 1 . 2]" 1
474 1 49 ARG H 1 50 GLN H . . 4.790 4.386 4.053 4.561 . 0 0 "[ . 1 . 2]" 1
475 1 49 ARG HA 1 49 ARG QD . . 4.230 4.012 3.713 4.373 0.143 8 0 "[ . 1 . 2]" 1
476 1 49 ARG HA 1 50 GLN H . . 3.530 2.588 2.408 2.867 . 0 0 "[ . 1 . 2]" 1
477 1 49 ARG QB 1 49 ARG QD . . 3.350 2.393 2.084 2.810 . 0 0 "[ . 1 . 2]" 1
478 1 49 ARG QB 1 50 GLN H . . 4.030 2.099 1.788 2.669 . 0 0 "[ . 1 . 2]" 1
479 1 49 ARG QD 1 50 GLN H . . 4.780 3.842 2.437 4.744 . 0 0 "[ . 1 . 2]" 1
480 1 49 ARG HD2 1 50 GLN H . . 5.500 4.505 2.996 5.288 . 0 0 "[ . 1 . 2]" 1
481 1 49 ARG HD3 1 50 GLN H . . 5.500 4.355 2.553 5.509 0.009 1 0 "[ . 1 . 2]" 1
482 1 49 ARG QG 1 50 GLN H . . 4.050 3.429 2.577 4.103 0.053 3 0 "[ . 1 . 2]" 1
483 1 49 ARG HG2 1 50 GLN H . . 4.920 4.088 2.781 4.674 . 0 0 "[ . 1 . 2]" 1
484 1 49 ARG HG3 1 50 GLN H . . 4.920 3.893 2.616 4.677 . 0 0 "[ . 1 . 2]" 1
485 1 50 GLN H 1 50 GLN HG2 . . 5.270 3.353 1.914 4.621 . 0 0 "[ . 1 . 2]" 1
486 1 50 GLN H 1 50 GLN HG3 . . 5.270 3.579 2.080 4.729 . 0 0 "[ . 1 . 2]" 1
487 1 50 GLN QB 1 51 VAL H . . 4.250 3.032 2.480 3.774 . 0 0 "[ . 1 . 2]" 1
488 1 50 GLN HB2 1 51 VAL H . . 4.980 3.350 2.511 4.211 . 0 0 "[ . 1 . 2]" 1
489 1 50 GLN HB3 1 51 VAL H . . 4.980 3.870 3.074 4.263 . 0 0 "[ . 1 . 2]" 1
490 1 50 GLN QG 1 51 VAL H . . 5.340 3.867 2.667 4.759 . 0 0 "[ . 1 . 2]" 1
491 1 51 VAL H 1 51 VAL QG . . 3.770 2.280 2.123 2.557 . 0 0 "[ . 1 . 2]" 1
492 1 51 VAL HB 1 52 CYS H . . 4.370 2.494 2.316 2.817 . 0 0 "[ . 1 . 2]" 1
493 1 51 VAL QG 1 52 CYS H . . 4.460 3.150 3.011 3.373 . 0 0 "[ . 1 . 2]" 1
494 1 51 VAL QG 2 23 TYS HB2 . . 5.100 5.349 4.395 5.877 0.777 19 6 "[* . * *1 -. *+2]" 1
495 1 51 VAL QG 2 23 TYS HB3 . . 4.910 4.485 3.807 4.772 . 0 0 "[ . 1 . 2]" 1
496 1 52 CYS HB2 1 53 ILE H . . 5.330 3.930 2.703 4.125 . 0 0 "[ . 1 . 2]" 1
497 1 52 CYS HB3 1 53 ILE H . . 4.650 3.129 2.734 3.913 . 0 0 "[ . 1 . 2]" 1
498 1 53 ILE H 1 53 ILE MD . . 3.770 3.029 1.684 3.898 0.128 6 0 "[ . 1 . 2]" 1
499 1 53 ILE H 1 53 ILE QG . . 4.480 2.626 1.785 3.008 . 0 0 "[ . 1 . 2]" 1
500 1 53 ILE H 1 53 ILE MG . . 4.130 3.586 2.992 3.858 . 0 0 "[ . 1 . 2]" 1
501 1 53 ILE HA 1 53 ILE MD . . 4.600 2.957 2.039 4.064 . 0 0 "[ . 1 . 2]" 1
502 1 53 ILE HA 1 57 LEU MD1 . . 5.500 3.578 2.970 4.457 . 0 0 "[ . 1 . 2]" 1
503 1 53 ILE HB 1 54 ASP H . . 4.600 3.437 2.437 4.097 . 0 0 "[ . 1 . 2]" 1
504 1 53 ILE HB 1 60 ILE QG . . 5.340 3.443 2.619 4.192 . 0 0 "[ . 1 . 2]" 1
505 1 53 ILE MD 1 53 ILE MG . . 2.400 1.886 1.778 1.980 . 0 0 "[ . 1 . 2]" 1
506 1 53 ILE MD 1 54 ASP H . . 5.040 4.265 3.437 4.827 . 0 0 "[ . 1 . 2]" 1
507 1 53 ILE MD 1 59 TRP HH2 . . 4.770 3.168 2.112 4.289 . 0 0 "[ . 1 . 2]" 1
508 1 53 ILE MD 1 59 TRP HZ2 . . 4.340 3.014 1.970 4.367 0.027 5 0 "[ . 1 . 2]" 1
509 1 53 ILE MD 1 60 ILE QG . . 5.060 4.232 2.765 4.866 . 0 0 "[ . 1 . 2]" 1
510 1 53 ILE QG 1 53 ILE MG . . 3.000 2.235 2.112 2.445 . 0 0 "[ . 1 . 2]" 1
511 1 53 ILE QG 1 60 ILE QG . . 4.820 3.941 2.787 4.891 0.071 6 0 "[ . 1 . 2]" 1
512 1 53 ILE HG12 1 53 ILE MG . . 3.500 2.951 2.302 3.190 . 0 0 "[ . 1 . 2]" 1
513 1 53 ILE HG12 1 54 ASP H . . 5.170 4.644 3.826 5.185 0.015 7 0 "[ . 1 . 2]" 1
514 1 53 ILE HG13 1 53 ILE MG . . 3.500 2.482 2.152 3.190 . 0 0 "[ . 1 . 2]" 1
515 1 53 ILE HG13 1 54 ASP H . . 5.170 4.974 4.047 5.249 0.079 7 0 "[ . 1 . 2]" 1
516 1 53 ILE MG 1 54 ASP H . . 3.990 2.653 2.177 3.401 . 0 0 "[ . 1 . 2]" 1
517 1 53 ILE MG 1 59 TRP HZ2 . . 5.210 2.606 1.842 3.370 . 0 0 "[ . 1 . 2]" 1
518 1 53 ILE MG 1 60 ILE QG . . 3.530 2.705 1.889 3.697 0.167 17 0 "[ . 1 . 2]" 1
519 1 54 ASP H 1 54 ASP HB2 . . 4.130 2.471 2.279 2.642 . 0 0 "[ . 1 . 2]" 1
520 1 54 ASP H 1 54 ASP QB . . 3.600 2.222 2.121 2.355 . 0 0 "[ . 1 . 2]" 1
521 1 54 ASP H 1 54 ASP HB3 . . 4.130 2.540 2.302 2.689 . 0 0 "[ . 1 . 2]" 1
522 1 54 ASP H 1 57 LEU H . . 5.090 4.815 4.381 5.119 0.029 19 0 "[ . 1 . 2]" 1
523 1 54 ASP H 1 57 LEU MD1 . . 4.270 2.767 2.142 3.932 . 0 0 "[ . 1 . 2]" 1
524 1 54 ASP H 1 57 LEU HG . . 4.820 3.864 2.721 4.569 . 0 0 "[ . 1 . 2]" 1
525 1 54 ASP HA 1 56 LYS H . . 5.500 3.658 3.447 3.878 . 0 0 "[ . 1 . 2]" 1
526 1 54 ASP QB 1 57 LEU MD1 . . 4.620 3.053 2.581 4.188 . 0 0 "[ . 1 . 2]" 1
527 1 54 ASP QB 1 57 LEU MD2 . . 4.850 3.837 2.476 4.398 . 0 0 "[ . 1 . 2]" 1
528 1 54 ASP QB 1 57 LEU HG . . 4.650 2.647 1.958 3.272 . 0 0 "[ . 1 . 2]" 1
529 1 54 ASP HB2 1 57 LEU H . . 5.050 4.749 4.400 5.175 0.125 10 0 "[ . 1 . 2]" 1
530 1 54 ASP HB2 1 57 LEU MD1 . . 5.300 4.047 3.532 5.315 0.015 12 0 "[ . 1 . 2]" 1
531 1 54 ASP HB2 1 57 LEU MD2 . . 5.500 5.060 3.735 5.578 0.078 4 0 "[ . 1 . 2]" 1
532 1 54 ASP HB2 1 57 LEU HG . . 5.500 4.017 3.491 4.537 . 0 0 "[ . 1 . 2]" 1
533 1 54 ASP HB3 1 57 LEU H . . 5.050 3.136 2.758 3.619 . 0 0 "[ . 1 . 2]" 1
534 1 54 ASP HB3 1 57 LEU MD1 . . 5.300 3.165 2.645 4.384 . 0 0 "[ . 1 . 2]" 1
535 1 54 ASP HB3 1 57 LEU MD2 . . 5.500 3.979 2.513 4.604 . 0 0 "[ . 1 . 2]" 1
536 1 54 ASP HB3 1 57 LEU HG . . 5.500 2.694 1.965 3.356 . 0 0 "[ . 1 . 2]" 1
537 1 55 PRO HA 1 57 LEU H . . 5.500 3.690 3.425 3.911 . 0 0 "[ . 1 . 2]" 1
538 1 55 PRO HA 1 60 ILE HB . . 5.500 3.806 3.110 4.296 . 0 0 "[ . 1 . 2]" 1
539 1 55 PRO HA 1 60 ILE MD . . 4.060 3.932 3.558 4.106 0.046 5 0 "[ . 1 . 2]" 1
540 1 55 PRO HA 1 60 ILE QG . . 5.090 3.231 2.635 3.627 . 0 0 "[ . 1 . 2]" 1
541 1 55 PRO HA 1 60 ILE MG . . 4.130 2.012 1.856 2.368 . 0 0 "[ . 1 . 2]" 1
542 1 55 PRO HB2 1 60 ILE MG . . 5.500 3.863 3.447 4.281 . 0 0 "[ . 1 . 2]" 1
543 1 55 PRO HB3 1 60 ILE MG . . 5.280 3.665 2.999 4.165 . 0 0 "[ . 1 . 2]" 1
544 1 55 PRO QD 1 56 LYS H . . 4.740 2.878 2.440 3.092 . 0 0 "[ . 1 . 2]" 1
545 1 55 PRO HG2 1 56 LYS H . . 3.760 3.398 2.833 3.808 0.048 18 0 "[ . 1 . 2]" 1
546 1 55 PRO HG3 1 56 LYS H . . 4.960 4.586 4.295 4.880 . 0 0 "[ . 1 . 2]" 1
547 1 56 LYS H 1 56 LYS HB2 . . 4.110 2.450 2.227 2.599 . 0 0 "[ . 1 . 2]" 1
548 1 56 LYS H 1 56 LYS QB . . 3.340 2.412 2.205 2.550 . 0 0 "[ . 1 . 2]" 1
549 1 56 LYS H 1 56 LYS HB3 . . 4.110 3.622 3.554 3.707 . 0 0 "[ . 1 . 2]" 1
550 1 56 LYS H 1 56 LYS QD . . 4.590 4.336 3.728 4.634 0.044 8 0 "[ . 1 . 2]" 1
551 1 56 LYS H 1 56 LYS QE . . 4.600 3.849 3.088 4.703 0.103 14 0 "[ . 1 . 2]" 1
552 1 56 LYS H 1 56 LYS HG2 . . 3.850 3.755 3.478 3.926 0.076 12 0 "[ . 1 . 2]" 1
553 1 56 LYS H 1 56 LYS HG3 . . 3.850 2.585 2.237 2.850 . 0 0 "[ . 1 . 2]" 1
554 1 56 LYS H 1 57 LEU H . . 3.640 2.255 1.998 2.559 . 0 0 "[ . 1 . 2]" 1
555 1 56 LYS H 1 60 ILE HB . . 5.500 4.681 4.446 5.064 . 0 0 "[ . 1 . 2]" 1
556 1 56 LYS H 1 60 ILE MG . . 4.760 4.272 3.981 4.694 . 0 0 "[ . 1 . 2]" 1
557 1 56 LYS HA 1 56 LYS QE . . 5.500 4.510 3.910 5.001 . 0 0 "[ . 1 . 2]" 1
558 1 56 LYS HA 1 61 GLN HE21 . . 4.770 2.738 1.980 3.658 . 0 0 "[ . 1 . 2]" 1
559 1 56 LYS HA 1 61 GLN HE22 . . 4.260 2.385 1.927 3.040 . 0 0 "[ . 1 . 2]" 1
560 1 56 LYS HA 1 61 GLN QG . . 4.810 3.699 3.206 4.324 . 0 0 "[ . 1 . 2]" 1
561 1 56 LYS QB 1 56 LYS QD . . 2.880 2.369 2.216 2.502 . 0 0 "[ . 1 . 2]" 1
562 1 56 LYS QB 1 56 LYS QE . . 2.970 2.120 1.875 2.933 . 0 0 "[ . 1 . 2]" 1
563 1 56 LYS HB2 1 56 LYS QD . . 3.320 2.861 2.429 3.017 . 0 0 "[ . 1 . 2]" 1
564 1 56 LYS HB2 1 56 LYS QE . . 3.560 2.252 1.891 3.070 . 0 0 "[ . 1 . 2]" 1
565 1 56 LYS HB3 1 56 LYS QD . . 3.320 2.567 2.303 2.981 . 0 0 "[ . 1 . 2]" 1
566 1 56 LYS HB3 1 56 LYS QE . . 3.560 2.960 1.955 3.773 0.213 5 0 "[ . 1 . 2]" 1
567 1 56 LYS QE 1 56 LYS HG2 . . 3.900 3.315 2.378 3.531 . 0 0 "[ . 1 . 2]" 1
568 1 56 LYS QE 1 56 LYS QG . . 3.280 2.515 2.293 2.898 . 0 0 "[ . 1 . 2]" 1
569 1 56 LYS QE 1 56 LYS HG3 . . 3.900 2.685 2.339 3.374 . 0 0 "[ . 1 . 2]" 1
570 1 57 LEU H 1 57 LEU HB2 . . 3.900 2.090 1.930 2.374 . 0 0 "[ . 1 . 2]" 1
571 1 57 LEU H 1 57 LEU HB3 . . 3.400 3.002 2.670 3.520 0.120 13 0 "[ . 1 . 2]" 1
572 1 57 LEU H 1 57 LEU MD1 . . 4.860 3.883 3.552 4.067 . 0 0 "[ . 1 . 2]" 1
573 1 57 LEU H 1 57 LEU HG . . 3.820 3.487 2.308 3.969 0.149 14 0 "[ . 1 . 2]" 1
574 1 57 LEU H 1 60 ILE HB . . 3.940 2.982 2.738 3.265 . 0 0 "[ . 1 . 2]" 1
575 1 57 LEU H 1 60 ILE MD . . 5.240 4.924 4.626 5.270 0.030 10 0 "[ . 1 . 2]" 1
576 1 57 LEU H 1 60 ILE QG . . 4.250 3.351 3.008 3.677 . 0 0 "[ . 1 . 2]" 1
577 1 57 LEU H 1 60 ILE MG . . 5.050 3.668 3.261 4.155 . 0 0 "[ . 1 . 2]" 1
578 1 57 LEU HA 1 57 LEU MD2 . . 3.970 2.250 1.883 2.575 . 0 0 "[ . 1 . 2]" 1
579 1 57 LEU HA 1 60 ILE H . . 5.500 4.670 4.353 5.218 . 0 0 "[ . 1 . 2]" 1
580 1 57 LEU HA 1 60 ILE QG . . 5.340 4.635 4.423 5.052 . 0 0 "[ . 1 . 2]" 1
581 1 57 LEU HB2 1 60 ILE H . . 4.950 3.787 2.621 4.372 . 0 0 "[ . 1 . 2]" 1
582 1 57 LEU HB2 1 60 ILE HB . . 5.500 3.141 2.107 3.646 . 0 0 "[ . 1 . 2]" 1
583 1 57 LEU HB2 1 60 ILE QG . . 4.620 2.566 1.869 3.131 . 0 0 "[ . 1 . 2]" 1
584 1 57 LEU HB3 1 58 LYS H . . 5.500 3.302 1.724 3.795 . 0 0 "[ . 1 . 2]" 1
585 1 57 LEU HB3 1 60 ILE H . . 4.600 2.665 2.372 3.069 . 0 0 "[ . 1 . 2]" 1
586 1 57 LEU HB3 1 60 ILE HB . . 5.500 2.922 2.050 3.997 . 0 0 "[ . 1 . 2]" 1
587 1 57 LEU HB3 1 60 ILE MD . . 5.490 4.073 3.584 4.956 . 0 0 "[ . 1 . 2]" 1
588 1 57 LEU HB3 1 60 ILE QG . . 4.440 2.410 1.906 3.411 . 0 0 "[ . 1 . 2]" 1
589 1 57 LEU MD1 1 59 TRP HD1 . . 5.320 3.517 3.291 3.809 . 0 0 "[ . 1 . 2]" 1
590 1 57 LEU MD1 1 59 TRP HE1 . . 3.980 2.219 1.796 2.571 . 0 0 "[ . 1 . 2]" 1
591 1 57 LEU MD1 1 59 TRP HZ2 . . 4.310 3.036 2.685 3.235 . 0 0 "[ . 1 . 2]" 1
592 1 57 LEU MD1 1 60 ILE H . . 5.500 3.787 2.822 4.266 . 0 0 "[ . 1 . 2]" 1
593 1 57 LEU MD1 1 60 ILE QG . . 4.100 2.439 1.926 2.915 . 0 0 "[ . 1 . 2]" 1
594 1 57 LEU MD2 1 58 LYS H . . 5.500 2.213 1.647 3.283 . 0 0 "[ . 1 . 2]" 1
595 1 57 LEU MD2 1 59 TRP HD1 . . 3.660 2.794 2.055 3.730 0.070 13 0 "[ . 1 . 2]" 1
596 1 57 LEU MD2 1 59 TRP HE1 . . 3.980 3.011 2.625 3.566 . 0 0 "[ . 1 . 2]" 1
597 1 57 LEU MD2 1 59 TRP HZ2 . . 5.170 4.848 4.413 5.279 0.109 7 0 "[ . 1 . 2]" 1
598 1 57 LEU MD2 1 60 ILE H . . 5.500 3.622 2.698 4.902 . 0 0 "[ . 1 . 2]" 1
599 1 57 LEU MD2 1 60 ILE QG . . 4.390 3.697 3.004 4.396 0.006 6 0 "[ . 1 . 2]" 1
600 1 57 LEU HG 1 60 ILE HB . . 5.500 5.086 4.115 5.537 0.037 3 0 "[ . 1 . 2]" 1
601 1 57 LEU HG 1 60 ILE QG . . 5.340 4.094 3.297 4.754 . 0 0 "[ . 1 . 2]" 1
602 1 58 LYS HA 1 58 LYS HD2 . . 4.510 4.010 2.149 4.646 0.136 4 0 "[ . 1 . 2]" 1
603 1 58 LYS HA 1 58 LYS HD3 . . 4.510 3.976 2.789 4.592 0.082 9 0 "[ . 1 . 2]" 1
604 1 58 LYS HA 1 58 LYS QE . . 5.500 4.533 4.015 5.101 . 0 0 "[ . 1 . 2]" 1
605 1 58 LYS HA 1 61 GLN H . . 4.500 3.380 3.067 3.993 . 0 0 "[ . 1 . 2]" 1
606 1 58 LYS HA 1 61 GLN QG . . 4.780 2.237 1.936 2.833 . 0 0 "[ . 1 . 2]" 1
607 1 58 LYS HA 1 62 GLU H . . 5.130 4.203 3.862 4.541 . 0 0 "[ . 1 . 2]" 1
608 1 58 LYS QB 1 58 LYS HD2 . . 3.660 2.891 2.348 3.321 . 0 0 "[ . 1 . 2]" 1
609 1 58 LYS QB 1 58 LYS HD3 . . 3.660 2.452 2.328 3.005 . 0 0 "[ . 1 . 2]" 1
610 1 58 LYS QB 1 59 TRP H . . 5.000 2.607 2.186 3.588 . 0 0 "[ . 1 . 2]" 1
611 1 58 LYS QD 1 59 TRP H . . 5.340 4.526 1.799 5.358 0.018 16 0 "[ . 1 . 2]" 1
612 1 58 LYS QD 1 62 GLU HG2 . . 4.920 4.338 2.097 5.024 0.104 17 0 "[ . 1 . 2]" 1
613 1 58 LYS QG 1 59 TRP H . . 5.340 3.516 3.076 4.541 . 0 0 "[ . 1 . 2]" 1
614 1 58 LYS QG 1 62 GLU HG2 . . 4.670 3.118 2.320 4.182 . 0 0 "[ . 1 . 2]" 1
615 1 58 LYS HG2 1 62 GLU HG3 . . 5.060 4.025 2.925 5.133 0.073 18 0 "[ . 1 . 2]" 1
616 1 58 LYS HG3 1 62 GLU HG3 . . 5.060 4.500 3.445 5.133 0.073 13 0 "[ . 1 . 2]" 1
617 1 59 TRP H 1 59 TRP HE1 . . 4.630 4.546 4.380 4.668 0.038 8 0 "[ . 1 . 2]" 1
618 1 59 TRP H 1 60 ILE H . . 4.840 2.598 2.484 2.702 . 0 0 "[ . 1 . 2]" 1
619 1 59 TRP HA 1 62 GLU H . . 4.620 3.173 2.780 3.614 . 0 0 "[ . 1 . 2]" 1
620 1 59 TRP HA 1 62 GLU HB2 . . 5.060 2.624 2.250 3.072 . 0 0 "[ . 1 . 2]" 1
621 1 59 TRP HA 1 62 GLU HB3 . . 5.500 4.178 3.734 4.726 . 0 0 "[ . 1 . 2]" 1
622 1 59 TRP HA 1 62 GLU HG2 . . 5.500 3.018 2.384 4.086 . 0 0 "[ . 1 . 2]" 1
623 1 59 TRP HA 1 62 GLU HG3 . . 5.500 3.102 2.381 3.889 . 0 0 "[ . 1 . 2]" 1
624 1 59 TRP HA 1 63 TYR H . . 5.500 3.849 3.546 4.297 . 0 0 "[ . 1 . 2]" 1
625 1 59 TRP HB3 1 59 TRP HD1 . . 3.860 2.707 2.592 2.850 . 0 0 "[ . 1 . 2]" 1
626 1 59 TRP HE3 1 60 ILE MD . . 5.460 3.086 2.878 3.313 . 0 0 "[ . 1 . 2]" 1
627 1 59 TRP HZ2 1 60 ILE QG . . 4.770 4.166 3.708 4.609 . 0 0 "[ . 1 . 2]" 1
628 1 60 ILE H 1 60 ILE HB . . 3.960 2.456 2.376 2.564 . 0 0 "[ . 1 . 2]" 1
629 1 60 ILE H 1 60 ILE MD . . 4.720 3.472 3.373 3.622 . 0 0 "[ . 1 . 2]" 1
630 1 60 ILE H 1 60 ILE HG12 . . 4.390 2.388 2.275 2.573 . 0 0 "[ . 1 . 2]" 1
631 1 60 ILE H 1 60 ILE QG . . 3.700 2.362 2.254 2.536 . 0 0 "[ . 1 . 2]" 1
632 1 60 ILE H 1 60 ILE HG13 . . 4.390 3.744 3.650 3.838 . 0 0 "[ . 1 . 2]" 1
633 1 60 ILE H 1 60 ILE MG . . 4.170 3.767 3.738 3.819 . 0 0 "[ . 1 . 2]" 1
634 1 60 ILE H 1 61 GLN H . . 3.940 2.545 2.443 2.728 . 0 0 "[ . 1 . 2]" 1
635 1 60 ILE H 1 62 GLU H . . 5.260 4.116 3.829 4.435 . 0 0 "[ . 1 . 2]" 1
636 1 60 ILE HA 1 60 ILE MD . . 4.010 2.023 1.946 2.099 . 0 0 "[ . 1 . 2]" 1
637 1 60 ILE HA 1 63 TYR QD . . 5.500 4.197 3.763 4.487 . 0 0 "[ . 1 . 2]" 1
638 1 60 ILE HB 1 61 GLN H . . 4.130 2.594 2.374 2.798 . 0 0 "[ . 1 . 2]" 1
639 1 60 ILE HB 1 64 LEU MD1 . . 4.630 4.440 4.193 4.643 0.013 4 0 "[ . 1 . 2]" 1
640 1 60 ILE MD 1 64 LEU H . . 5.470 4.865 4.414 5.186 . 0 0 "[ . 1 . 2]" 1
641 1 60 ILE QG 1 61 GLN H . . 4.570 4.066 3.949 4.210 . 0 0 "[ . 1 . 2]" 1
642 1 60 ILE MG 1 61 GLN H . . 4.330 3.288 2.948 3.563 . 0 0 "[ . 1 . 2]" 1
643 1 60 ILE MG 1 61 GLN QG . . 5.500 4.161 3.864 4.498 . 0 0 "[ . 1 . 2]" 1
644 1 60 ILE MG 1 63 TYR H . . 5.030 4.558 4.208 4.760 . 0 0 "[ . 1 . 2]" 1
645 1 60 ILE MG 1 64 LEU H . . 5.400 3.695 3.375 3.908 . 0 0 "[ . 1 . 2]" 1
646 1 61 GLN H 1 61 GLN QB . . 3.500 2.591 2.502 2.734 . 0 0 "[ . 1 . 2]" 1
647 1 61 GLN H 1 61 GLN HE21 . . 5.500 3.361 2.769 4.728 . 0 0 "[ . 1 . 2]" 1
648 1 61 GLN H 1 61 GLN HE22 . . 4.560 4.562 4.377 4.662 0.102 8 0 "[ . 1 . 2]" 1
649 1 61 GLN H 1 61 GLN QG . . 3.670 2.049 1.949 2.160 . 0 0 "[ . 1 . 2]" 1
650 1 61 GLN H 1 62 GLU H . . 4.030 2.777 2.611 2.874 . 0 0 "[ . 1 . 2]" 1
651 1 61 GLN HA 1 61 GLN HE22 . . 5.460 3.498 3.257 3.946 . 0 0 "[ . 1 . 2]" 1
652 1 61 GLN HA 1 64 LEU H . . 4.680 3.938 3.519 4.316 . 0 0 "[ . 1 . 2]" 1
653 1 61 GLN HA 1 64 LEU MD1 . . 4.470 3.234 2.486 3.895 . 0 0 "[ . 1 . 2]" 1
654 1 61 GLN HA 1 65 GLU H . . 4.680 4.103 3.622 4.396 . 0 0 "[ . 1 . 2]" 1
655 1 61 GLN HA 3 68 LEU QD . . 4.060 2.051 1.761 3.062 . 0 0 "[ . 1 . 2]" 1
656 1 61 GLN QB 1 61 GLN HE22 . . 4.160 4.045 3.807 4.178 0.018 3 0 "[ . 1 . 2]" 1
657 1 61 GLN QB 3 68 LEU QD . . 3.900 2.502 1.825 2.831 . 0 0 "[ . 1 . 2]" 1
658 1 61 GLN HB2 1 62 GLU H . . 5.280 2.284 2.165 2.670 . 0 0 "[ . 1 . 2]" 1
659 1 61 GLN HB3 1 62 GLU H . . 5.280 3.492 3.335 3.741 . 0 0 "[ . 1 . 2]" 1
660 1 61 GLN HE21 1 64 LEU MD1 . . 4.750 3.979 3.481 4.812 0.062 8 0 "[ . 1 . 2]" 1
661 1 61 GLN HE21 3 68 LEU HA . . 4.400 3.589 2.852 4.170 . 0 0 "[ . 1 . 2]" 1
662 1 61 GLN HE21 3 68 LEU QD . . 4.630 2.656 1.798 3.479 . 0 0 "[ . 1 . 2]" 1
663 1 61 GLN HE22 1 64 LEU MD1 . . 4.180 3.928 3.597 4.205 0.025 18 0 "[ . 1 . 2]" 1
664 1 61 GLN HE22 3 68 LEU HB2 . . 5.500 4.955 4.359 5.525 0.025 10 0 "[ . 1 . 2]" 1
665 1 61 GLN HE22 3 68 LEU HB3 . . 5.500 4.740 3.515 5.428 . 0 0 "[ . 1 . 2]" 1
666 1 61 GLN HE22 3 68 LEU MD1 . . 5.500 2.876 2.096 5.183 . 0 0 "[ . 1 . 2]" 1
667 1 61 GLN HE22 3 68 LEU QD . . 4.310 2.350 2.016 3.206 . 0 0 "[ . 1 . 2]" 1
668 1 61 GLN HE22 3 68 LEU MD2 . . 5.500 2.977 2.232 4.606 . 0 0 "[ . 1 . 2]" 1
669 1 61 GLN HE22 3 68 LEU HG . . 5.500 4.840 2.924 5.516 0.016 5 0 "[ . 1 . 2]" 1
670 1 61 GLN QG 1 62 GLU H . . 5.140 3.727 3.460 4.019 . 0 0 "[ . 1 . 2]" 1
671 1 61 GLN QG 3 68 LEU QD . . 4.920 3.318 2.824 3.624 . 0 0 "[ . 1 . 2]" 1
672 1 62 GLU H 1 62 GLU HB2 . . 3.840 2.477 2.338 2.620 . 0 0 "[ . 1 . 2]" 1
673 1 62 GLU H 1 62 GLU HB3 . . 3.480 3.528 3.508 3.549 0.069 19 0 "[ . 1 . 2]" 1
674 1 62 GLU H 1 62 GLU HG2 . . 3.910 2.179 1.972 2.913 . 0 0 "[ . 1 . 2]" 1
675 1 62 GLU H 1 62 GLU HG3 . . 4.370 3.466 1.876 3.676 . 0 0 "[ . 1 . 2]" 1
676 1 62 GLU H 1 63 TYR H . . 4.070 2.640 2.433 2.784 . 0 0 "[ . 1 . 2]" 1
677 1 62 GLU HA 1 65 GLU H . . 4.940 3.924 3.580 4.348 . 0 0 "[ . 1 . 2]" 1
678 1 62 GLU HA 1 65 GLU HB2 . . 4.460 3.161 2.363 4.230 . 0 0 "[ . 1 . 2]" 1
679 1 62 GLU HA 1 65 GLU HB3 . . 4.400 3.951 2.536 4.497 0.097 15 0 "[ . 1 . 2]" 1
680 1 62 GLU HB2 1 63 TYR H . . 4.440 2.471 2.162 2.702 . 0 0 "[ . 1 . 2]" 1
681 1 62 GLU HB3 1 62 GLU HG3 . . 2.610 2.475 2.372 2.873 0.263 1 0 "[ . 1 . 2]" 1
682 1 62 GLU HB3 1 63 TYR H . . 4.260 3.566 3.333 3.868 . 0 0 "[ . 1 . 2]" 1
683 1 62 GLU HG2 1 63 TYR H . . 5.130 4.193 3.828 4.764 . 0 0 "[ . 1 . 2]" 1
684 1 62 GLU HG3 1 63 TYR H . . 4.900 4.716 3.815 4.943 0.043 4 0 "[ . 1 . 2]" 1
685 1 63 TYR H 1 63 TYR HB2 . . 3.870 2.372 2.184 2.605 . 0 0 "[ . 1 . 2]" 1
686 1 63 TYR H 1 63 TYR HB3 . . 3.970 2.647 2.468 2.782 . 0 0 "[ . 1 . 2]" 1
687 1 63 TYR H 1 63 TYR QD . . 4.710 4.132 3.995 4.235 . 0 0 "[ . 1 . 2]" 1
688 1 63 TYR H 1 64 LEU H . . 4.080 2.753 2.582 2.905 . 0 0 "[ . 1 . 2]" 1
689 1 63 TYR H 1 66 LYS HG2 . . 5.500 4.746 4.114 5.511 0.011 7 0 "[ . 1 . 2]" 1
690 1 63 TYR HA 1 63 TYR QD . . 3.940 2.964 2.687 3.160 . 0 0 "[ . 1 . 2]" 1
691 1 63 TYR HB2 1 64 LEU H . . 4.390 3.674 3.480 3.836 . 0 0 "[ . 1 . 2]" 1
692 1 63 TYR HB3 1 64 LEU H . . 4.690 2.393 2.165 2.622 . 0 0 "[ . 1 . 2]" 1
693 1 63 TYR QD 1 64 LEU HG . . 4.430 3.921 3.397 4.460 0.030 10 0 "[ . 1 . 2]" 1
694 1 63 TYR QD 3 30 ILE MD . . 3.710 3.455 2.932 3.733 0.023 12 0 "[ . 1 . 2]" 1
695 1 63 TYR QD 3 30 ILE MG . . 3.850 3.783 3.036 3.940 0.090 14 0 "[ . 1 . 2]" 1
696 1 63 TYR QE 1 67 CYS HB2 . . 4.650 4.191 3.156 4.709 0.059 5 0 "[ . 1 . 2]" 1
697 1 63 TYR QE 3 30 ILE HB . . 3.980 3.149 2.387 3.731 . 0 0 "[ . 1 . 2]" 1
698 1 63 TYR QE 3 30 ILE MD . . 3.830 2.766 2.330 3.188 . 0 0 "[ . 1 . 2]" 1
699 1 63 TYR QE 3 30 ILE QG . . 4.430 4.261 3.799 4.481 0.051 11 0 "[ . 1 . 2]" 1
700 1 63 TYR QE 3 30 ILE MG . . 3.520 1.970 1.833 2.134 . 0 0 "[ . 1 . 2]" 1
701 1 64 LEU H 1 64 LEU MD1 . . 3.960 3.662 3.605 3.734 . 0 0 "[ . 1 . 2]" 1
702 1 64 LEU H 1 64 LEU MD2 . . 3.980 3.123 3.040 3.232 . 0 0 "[ . 1 . 2]" 1
703 1 64 LEU H 1 64 LEU HG . . 3.720 2.176 2.117 2.235 . 0 0 "[ . 1 . 2]" 1
704 1 64 LEU H 1 65 GLU H . . 4.070 2.719 2.587 2.875 . 0 0 "[ . 1 . 2]" 1
705 1 64 LEU H 3 68 LEU QD . . 4.550 3.841 3.364 4.598 0.048 20 0 "[ . 1 . 2]" 1
706 1 64 LEU HA 1 64 LEU MD1 . . 4.080 3.869 3.847 3.889 . 0 0 "[ . 1 . 2]" 1
707 1 64 LEU HA 1 64 LEU MD2 . . 3.680 2.098 2.053 2.125 . 0 0 "[ . 1 . 2]" 1
708 1 64 LEU HA 1 67 CYS H . . 4.200 3.708 3.483 4.003 . 0 0 "[ . 1 . 2]" 1
709 1 64 LEU HA 1 68 LEU H . . 5.500 4.355 3.890 5.137 . 0 0 "[ . 1 . 2]" 1
710 1 64 LEU HA 3 30 ILE MD . . 4.780 4.127 3.672 4.519 . 0 0 "[ . 1 . 2]" 1
711 1 64 LEU HA 3 68 LEU QD . . 4.990 4.545 4.335 5.007 0.017 20 0 "[ . 1 . 2]" 1
712 1 64 LEU HB2 1 64 LEU MD2 . . 3.620 3.206 3.196 3.211 . 0 0 "[ . 1 . 2]" 1
713 1 64 LEU HB2 1 65 GLU H . . 5.320 2.332 2.270 2.388 . 0 0 "[ . 1 . 2]" 1
714 1 64 LEU HB2 3 68 LEU QD . . 4.310 2.110 1.815 2.968 . 0 0 "[ . 1 . 2]" 1
715 1 64 LEU HB3 1 65 GLU H . . 4.820 3.482 3.424 3.534 . 0 0 "[ . 1 . 2]" 1
716 1 64 LEU MD1 1 65 GLU H . . 4.330 4.299 4.224 4.363 0.033 17 0 "[ . 1 . 2]" 1
717 1 64 LEU MD1 3 68 LEU H . . 4.520 3.292 2.950 3.528 . 0 0 "[ . 1 . 2]" 1
718 1 64 LEU MD1 3 68 LEU HA . . 4.940 2.435 2.097 3.443 . 0 0 "[ . 1 . 2]" 1
719 1 64 LEU MD2 3 68 LEU H . . 5.500 5.386 5.090 5.545 0.045 5 0 "[ . 1 . 2]" 1
720 1 64 LEU HG 1 65 GLU H . . 4.030 4.085 4.062 4.117 0.087 6 0 "[ . 1 . 2]" 1
721 1 65 GLU H 1 65 GLU HB2 . . 3.590 2.363 2.092 2.571 . 0 0 "[ . 1 . 2]" 1
722 1 65 GLU H 1 65 GLU HB3 . . 3.960 3.284 2.397 3.698 . 0 0 "[ . 1 . 2]" 1
723 1 65 GLU H 1 65 GLU HG2 . . 4.130 3.500 2.408 4.194 0.064 18 0 "[ . 1 . 2]" 1
724 1 65 GLU H 1 65 GLU HG3 . . 4.220 3.143 2.089 4.297 0.077 2 0 "[ . 1 . 2]" 1
725 1 65 GLU H 1 66 LYS H . . 4.030 2.912 2.739 3.108 . 0 0 "[ . 1 . 2]" 1
726 1 65 GLU H 3 68 LEU MD1 . . 4.840 4.606 2.882 5.041 0.201 10 0 "[ . 1 . 2]" 1
727 1 65 GLU H 3 68 LEU QD . . 4.140 2.991 2.700 3.916 . 0 0 "[ . 1 . 2]" 1
728 1 65 GLU H 3 68 LEU MD2 . . 4.840 3.330 2.712 4.975 0.135 12 0 "[ . 1 . 2]" 1
729 1 65 GLU HA 1 65 GLU HG3 . . 4.200 3.357 2.889 3.705 . 0 0 "[ . 1 . 2]" 1
730 1 65 GLU HA 1 68 LEU H . . 4.470 3.634 3.261 4.050 . 0 0 "[ . 1 . 2]" 1
731 1 65 GLU HB2 1 66 LYS H . . 4.140 3.167 2.476 3.952 . 0 0 "[ . 1 . 2]" 1
732 1 65 GLU HB3 1 66 LYS H . . 4.110 3.364 2.493 3.890 . 0 0 "[ . 1 . 2]" 1
733 1 65 GLU HG2 1 66 LYS H . . 5.200 4.990 4.674 5.195 . 0 0 "[ . 1 . 2]" 1
734 1 65 GLU HG2 3 68 LEU QD . . 4.460 3.108 2.084 4.368 . 0 0 "[ . 1 . 2]" 1
735 1 65 GLU HG2 3 68 LEU HG . . 4.640 3.883 2.977 4.682 0.042 12 0 "[ . 1 . 2]" 1
736 1 65 GLU HG3 1 66 LYS H . . 5.180 4.793 4.304 5.173 . 0 0 "[ . 1 . 2]" 1
737 1 65 GLU HG3 3 68 LEU HG . . 4.410 3.970 2.825 4.547 0.137 20 0 "[ . 1 . 2]" 1
738 1 66 LYS H 1 66 LYS HB2 . . 3.650 3.358 2.526 3.702 0.052 2 0 "[ . 1 . 2]" 1
739 1 66 LYS H 1 66 LYS HB3 . . 3.630 2.996 2.527 3.657 0.027 18 0 "[ . 1 . 2]" 1
740 1 66 LYS H 1 66 LYS QD . . 4.750 3.723 3.157 4.192 . 0 0 "[ . 1 . 2]" 1
741 1 66 LYS H 1 66 LYS QE . . 5.100 4.317 2.664 5.163 0.063 13 0 "[ . 1 . 2]" 1
742 1 66 LYS H 1 66 LYS HG2 . . 3.810 2.832 2.067 3.776 . 0 0 "[ . 1 . 2]" 1
743 1 66 LYS H 1 66 LYS HG3 . . 3.960 2.914 2.119 3.758 . 0 0 "[ . 1 . 2]" 1
744 1 66 LYS H 1 67 CYS H . . 3.290 2.532 2.350 2.752 . 0 0 "[ . 1 . 2]" 1
745 1 66 LYS HA 1 66 LYS QD . . 3.910 3.473 1.905 4.189 0.279 4 0 "[ . 1 . 2]" 1
746 1 66 LYS HA 1 66 LYS QE . . 5.500 4.060 1.886 5.570 0.070 16 0 "[ . 1 . 2]" 1
747 1 66 LYS HA 1 69 ASN H . . 5.500 3.743 3.210 4.232 . 0 0 "[ . 1 . 2]" 1
748 1 66 LYS HB2 1 66 LYS QD . . 3.710 2.752 2.037 3.499 . 0 0 "[ . 1 . 2]" 1
749 1 66 LYS HB2 1 67 CYS H . . 4.060 3.440 2.241 4.085 0.025 14 0 "[ . 1 . 2]" 1
750 1 66 LYS HB3 1 66 LYS QD . . 3.740 2.969 2.261 3.593 . 0 0 "[ . 1 . 2]" 1
751 1 66 LYS HB3 1 66 LYS QE . . 3.960 3.344 1.919 4.145 0.185 1 0 "[ . 1 . 2]" 1
752 1 66 LYS HB3 1 67 CYS H . . 4.070 3.923 3.430 4.145 0.075 17 0 "[ . 1 . 2]" 1
753 1 66 LYS QD 1 66 LYS HG2 . . 2.400 2.361 2.146 2.432 0.032 9 0 "[ . 1 . 2]" 1
754 1 66 LYS QD 1 66 LYS HG3 . . 2.570 2.219 2.089 2.414 . 0 0 "[ . 1 . 2]" 1
755 1 66 LYS QE 1 66 LYS HG2 . . 3.180 2.640 2.160 3.256 0.076 18 0 "[ . 1 . 2]" 1
756 1 66 LYS QE 1 66 LYS HG3 . . 3.410 3.150 2.327 3.491 0.081 4 0 "[ . 1 . 2]" 1
757 1 66 LYS HG2 1 67 CYS H . . 4.320 3.846 2.819 4.435 0.115 10 0 "[ . 1 . 2]" 1
758 1 66 LYS HG3 1 67 CYS H . . 4.390 3.253 2.354 4.616 0.226 5 0 "[ . 1 . 2]" 1
759 1 67 CYS CB 3 38 CYS CB . . 3.990 3.846 3.595 4.016 0.026 4 0 "[ . 1 . 2]" 1
760 1 67 CYS CB 3 38 CYS SG . . 3.100 3.070 3.034 3.101 0.001 6 0 "[ . 1 . 2]" 1
761 1 67 CYS H 1 67 CYS HB2 . . 3.850 2.613 2.426 2.819 . 0 0 "[ . 1 . 2]" 1
762 1 67 CYS H 1 67 CYS HB3 . . 3.820 2.871 2.427 3.751 . 0 0 "[ . 1 . 2]" 1
763 1 67 CYS H 1 68 LEU H . . 3.690 2.570 2.262 2.887 . 0 0 "[ . 1 . 2]" 1
764 1 67 CYS H 1 70 LYS QD . . 5.200 4.694 3.700 5.362 0.162 7 0 "[ . 1 . 2]" 1
765 1 67 CYS H 1 70 LYS QG . . 4.610 4.519 3.856 4.808 0.198 2 0 "[ . 1 . 2]" 1
766 1 67 CYS HB2 1 68 LEU H . . 4.460 3.857 3.005 4.292 . 0 0 "[ . 1 . 2]" 1
767 1 67 CYS HB3 1 68 LEU H . . 4.670 3.299 2.540 4.112 . 0 0 "[ . 1 . 2]" 1
768 1 67 CYS SG 3 38 CYS CB . . 3.100 3.056 3.024 3.079 . 0 0 "[ . 1 . 2]" 1
769 1 67 CYS SG 3 38 CYS SG . . 2.100 2.039 2.028 2.049 . 0 0 "[ . 1 . 2]" 1
770 1 68 LEU H 1 68 LEU HB2 . . 3.840 2.172 2.019 2.368 . 0 0 "[ . 1 . 2]" 1
771 1 68 LEU H 1 68 LEU QB . . 3.250 2.068 1.958 2.305 . 0 0 "[ . 1 . 2]" 1
772 1 68 LEU H 1 68 LEU HB3 . . 3.840 2.661 2.409 3.589 . 0 0 "[ . 1 . 2]" 1
773 1 68 LEU H 1 68 LEU MD1 . . 4.160 4.147 3.843 4.252 0.092 8 0 "[ . 1 . 2]" 1
774 1 68 LEU H 1 68 LEU QD . . 3.520 3.415 2.230 3.622 0.102 3 0 "[ . 1 . 2]" 1
775 1 68 LEU H 1 68 LEU MD2 . . 4.160 3.698 2.242 4.190 0.030 12 0 "[ . 1 . 2]" 1
776 1 68 LEU H 1 68 LEU HG . . 4.600 4.365 3.953 4.528 . 0 0 "[ . 1 . 2]" 1
777 1 68 LEU H 1 69 ASN H . . 4.180 2.731 2.340 2.964 . 0 0 "[ . 1 . 2]" 1
778 1 68 LEU H 3 64 LEU MD1 . . 4.520 3.274 2.763 3.767 . 0 0 "[ . 1 . 2]" 1
779 1 68 LEU H 3 64 LEU MD2 . . 5.500 5.359 4.884 5.553 0.053 8 0 "[ . 1 . 2]" 1
780 1 68 LEU HA 1 68 LEU MD1 . . 4.620 2.913 2.010 3.871 . 0 0 "[ . 1 . 2]" 1
781 1 68 LEU HA 1 68 LEU QD . . 3.750 2.147 1.933 2.824 . 0 0 "[ . 1 . 2]" 1
782 1 68 LEU HA 1 68 LEU MD2 . . 4.620 2.244 2.043 2.902 . 0 0 "[ . 1 . 2]" 1
783 1 68 LEU HA 3 61 GLN HE21 . . 4.400 3.495 2.382 4.248 . 0 0 "[ . 1 . 2]" 1
784 1 68 LEU HA 3 64 LEU MD1 . . 4.940 2.379 1.973 3.320 . 0 0 "[ . 1 . 2]" 1
785 1 68 LEU QB 1 68 LEU QD . . 2.810 2.035 1.905 2.073 . 0 0 "[ . 1 . 2]" 1
786 1 68 LEU HB2 1 69 ASN H . . 4.270 3.595 2.584 3.901 . 0 0 "[ . 1 . 2]" 1
787 1 68 LEU HB2 3 61 GLN HE22 . . 5.500 4.995 4.670 5.474 . 0 0 "[ . 1 . 2]" 1
788 1 68 LEU HB3 1 69 ASN H . . 4.270 2.613 1.981 3.200 . 0 0 "[ . 1 . 2]" 1
789 1 68 LEU HB3 3 61 GLN HE22 . . 5.500 4.761 3.675 5.505 0.005 3 0 "[ . 1 . 2]" 1
790 1 68 LEU QD 1 69 ASN H . . 4.030 3.515 2.961 3.974 . 0 0 "[ . 1 . 2]" 1
791 1 68 LEU QD 3 61 GLN HA . . 4.060 2.064 1.718 2.841 . 0 0 "[ . 1 . 2]" 1
792 1 68 LEU QD 3 61 GLN QB . . 3.900 2.525 1.915 2.862 . 0 0 "[ . 1 . 2]" 1
793 1 68 LEU QD 3 61 GLN HE21 . . 4.630 2.596 1.622 3.409 . 0 0 "[ . 1 . 2]" 1
794 1 68 LEU QD 3 61 GLN HE22 . . 4.310 2.350 1.971 3.023 . 0 0 "[ . 1 . 2]" 1
795 1 68 LEU QD 3 61 GLN QG . . 4.920 3.240 1.768 3.642 . 0 0 "[ . 1 . 2]" 1
796 1 68 LEU QD 3 64 LEU H . . 4.550 3.859 3.459 4.590 0.040 20 0 "[ . 1 . 2]" 1
797 1 68 LEU QD 3 64 LEU HA . . 4.990 4.529 4.255 5.030 0.040 20 0 "[ . 1 . 2]" 1
798 1 68 LEU QD 3 64 LEU HB2 . . 4.310 2.114 1.803 3.018 . 0 0 "[ . 1 . 2]" 1
799 1 68 LEU QD 3 65 GLU H . . 4.140 2.980 2.672 3.867 . 0 0 "[ . 1 . 2]" 1
800 1 68 LEU QD 3 65 GLU HG2 . . 4.460 2.987 1.922 4.032 . 0 0 "[ . 1 . 2]" 1
801 1 68 LEU QD 4 29 PRO QB . . 3.930 3.648 3.077 4.113 0.183 1 0 "[ . 1 . 2]" 1
802 1 68 LEU QD 4 29 PRO QD . . 5.280 5.392 5.159 5.544 0.264 16 0 "[ . 1 . 2]" 1
803 1 68 LEU QD 4 29 PRO QG . . 4.600 4.259 3.662 4.662 0.062 16 0 "[ . 1 . 2]" 1
804 1 68 LEU QD 4 31 PHE QD . . 3.350 2.861 2.011 3.494 0.144 3 0 "[ . 1 . 2]" 1
805 1 68 LEU MD1 3 61 GLN HE22 . . 5.500 2.869 2.037 4.997 . 0 0 "[ . 1 . 2]" 1
806 1 68 LEU MD1 3 65 GLU H . . 4.840 4.634 3.166 5.008 0.168 4 0 "[ . 1 . 2]" 1
807 1 68 LEU MD2 3 61 GLN HE22 . . 5.500 2.948 2.069 4.168 . 0 0 "[ . 1 . 2]" 1
808 1 68 LEU MD2 3 65 GLU H . . 4.840 3.289 2.683 5.017 0.177 12 0 "[ . 1 . 2]" 1
809 1 68 LEU HG 3 61 GLN HE22 . . 5.500 4.897 3.491 5.623 0.123 4 0 "[ . 1 . 2]" 1
810 1 68 LEU HG 3 65 GLU HG2 . . 4.640 3.665 2.914 4.705 0.065 20 0 "[ . 1 . 2]" 1
811 1 68 LEU HG 3 65 GLU HG3 . . 4.410 3.975 2.900 4.513 0.103 20 0 "[ . 1 . 2]" 1
812 1 69 ASN H 1 69 ASN HB2 . . 4.120 2.958 2.375 3.615 . 0 0 "[ . 1 . 2]" 1
813 1 69 ASN H 1 69 ASN HB3 . . 4.120 3.253 2.402 3.898 . 0 0 "[ . 1 . 2]" 1
814 1 69 ASN H 1 70 LYS H . . 4.390 2.370 1.724 3.757 . 0 0 "[ . 1 . 2]" 1
815 1 69 ASN HA 1 69 ASN HD21 . . 4.060 2.889 1.770 4.137 0.077 1 0 "[ . 1 . 2]" 1
816 1 69 ASN HA 1 69 ASN QD . . 3.540 2.755 1.764 3.729 0.189 1 0 "[ . 1 . 2]" 1
817 1 69 ASN HA 1 69 ASN HD22 . . 4.060 3.862 3.398 4.239 0.179 1 0 "[ . 1 . 2]" 1
818 1 69 ASN HA 1 70 LYS H . . 3.320 3.228 2.111 3.468 0.148 20 0 "[ . 1 . 2]" 1
819 1 69 ASN QB 1 70 LYS H . . 3.790 2.941 1.933 3.762 . 0 0 "[ . 1 . 2]" 1
820 1 69 ASN QB 1 70 LYS QB . . 4.910 4.503 3.584 5.040 0.130 19 0 "[ . 1 . 2]" 1
821 1 69 ASN HB2 1 70 LYS H . . 4.490 3.805 2.151 4.429 . 0 0 "[ . 1 . 2]" 1
822 1 69 ASN HB3 1 70 LYS H . . 4.490 3.226 1.942 4.358 . 0 0 "[ . 1 . 2]" 1
823 1 70 LYS H 1 70 LYS HB2 . . 3.990 3.093 2.232 3.953 . 0 0 "[ . 1 . 2]" 1
824 1 70 LYS H 1 70 LYS QB . . 3.240 2.781 2.045 3.322 0.082 16 0 "[ . 1 . 2]" 1
825 1 70 LYS H 1 70 LYS HB3 . . 3.990 3.530 2.097 4.097 0.107 20 0 "[ . 1 . 2]" 1
826 1 70 LYS H 1 70 LYS QD . . 5.230 4.208 3.309 4.932 . 0 0 "[ . 1 . 2]" 1
827 1 70 LYS H 1 70 LYS QG . . 3.690 2.867 1.955 3.780 0.090 2 0 "[ . 1 . 2]" 1
828 1 70 LYS HA 1 70 LYS QD . . 4.010 3.665 2.000 4.262 0.252 7 0 "[ . 1 . 2]" 1
829 1 70 LYS HA 1 70 LYS QE . . 5.500 4.026 2.661 5.012 . 0 0 "[ . 1 . 2]" 1
830 1 70 LYS HA 1 70 LYS QG . . 3.950 2.628 2.230 3.494 . 0 0 "[ . 1 . 2]" 1
831 1 70 LYS QB 1 70 LYS QE . . 4.420 2.421 1.885 3.624 . 0 0 "[ . 1 . 2]" 1
832 1 70 LYS HB2 1 70 LYS QE . . 5.070 3.252 2.049 4.205 . 0 0 "[ . 1 . 2]" 1
833 1 70 LYS HB3 1 70 LYS QE . . 5.070 2.702 1.895 4.160 . 0 0 "[ . 1 . 2]" 1
834 2 4 GLU H 2 4 GLU HB2 . . 4.080 2.731 2.383 3.552 . 0 0 "[ . 1 . 2]" 1
835 2 4 GLU H 2 4 GLU QB . . 3.550 2.531 2.214 3.346 . 0 0 "[ . 1 . 2]" 1
836 2 4 GLU H 2 4 GLU HB3 . . 4.080 3.334 2.480 4.086 0.006 13 0 "[ . 1 . 2]" 1
837 2 4 GLU H 2 4 GLU QG . . 4.290 3.185 2.190 4.203 . 0 0 "[ . 1 . 2]" 1
838 2 4 GLU HA 2 4 GLU QG . . 3.130 2.464 2.362 2.844 . 0 0 "[ . 1 . 2]" 1
839 2 4 GLU HB2 2 4 GLU QG . . 2.420 2.338 2.163 2.394 . 0 0 "[ . 1 . 2]" 1
840 2 4 GLU HB3 2 4 GLU QG . . 2.420 2.335 2.276 2.374 . 0 0 "[ . 1 . 2]" 1
841 2 5 GLY H 2 6 ILE H . . 4.460 3.600 2.057 4.449 . 0 0 "[ . 1 . 2]" 1
842 2 5 GLY QA 2 6 ILE H . . 3.040 2.365 2.092 2.821 . 0 0 "[ . 1 . 2]" 1
843 2 6 ILE H 2 6 ILE HB . . 3.360 2.548 2.492 2.614 . 0 0 "[ . 1 . 2]" 1
844 2 6 ILE H 2 6 ILE MD . . 3.860 3.611 3.112 3.903 0.043 16 0 "[ . 1 . 2]" 1
845 2 6 ILE H 2 6 ILE HG12 . . 3.870 3.208 2.049 3.800 . 0 0 "[ . 1 . 2]" 1
846 2 6 ILE H 2 6 ILE QG . . 3.310 2.275 1.925 2.585 . 0 0 "[ . 1 . 2]" 1
847 2 6 ILE H 2 6 ILE HG13 . . 3.870 2.662 1.941 3.884 0.014 19 0 "[ . 1 . 2]" 1
848 2 6 ILE H 2 6 ILE MG . . 3.790 3.794 3.752 3.829 0.039 19 0 "[ . 1 . 2]" 1
849 2 6 ILE HA 2 6 ILE MD . . 4.440 3.417 2.018 3.889 . 0 0 "[ . 1 . 2]" 1
850 2 6 ILE MD 2 6 ILE MG . . 2.400 1.962 1.918 2.038 . 0 0 "[ . 1 . 2]" 1
851 2 6 ILE QG 2 6 ILE MG . . 2.970 2.324 2.268 2.361 . 0 0 "[ . 1 . 2]" 1
852 2 6 ILE HG12 2 6 ILE MG . . 3.400 2.600 2.361 3.217 . 0 0 "[ . 1 . 2]" 1
853 2 6 ILE HG13 2 6 ILE MG . . 3.400 2.995 2.319 3.226 . 0 0 "[ . 1 . 2]" 1
854 2 7 SER HB2 2 8 ILE H . . 4.620 3.780 2.234 4.454 . 0 0 "[ . 1 . 2]" 1
855 2 7 SER HB3 2 8 ILE H . . 4.620 3.790 2.453 4.492 . 0 0 "[ . 1 . 2]" 1
856 2 8 ILE H 2 8 ILE HB . . 4.040 2.877 2.383 3.915 . 0 0 "[ . 1 . 2]" 1
857 2 8 ILE H 2 8 ILE MD . . 4.210 3.165 1.667 4.303 0.093 19 0 "[ . 1 . 2]" 1
858 2 8 ILE H 2 8 ILE HG12 . . 4.620 2.769 1.819 4.448 . 0 0 "[ . 1 . 2]" 1
859 2 8 ILE H 2 8 ILE QG . . 3.970 2.677 1.804 3.960 . 0 0 "[ . 1 . 2]" 1
860 2 8 ILE H 2 8 ILE HG13 . . 4.620 3.923 2.986 4.456 . 0 0 "[ . 1 . 2]" 1
861 2 8 ILE H 2 8 ILE MG . . 4.210 3.416 1.957 4.066 . 0 0 "[ . 1 . 2]" 1
862 2 8 ILE HA 2 8 ILE MD . . 3.640 2.566 2.010 3.964 0.324 14 0 "[ . 1 . 2]" 1
863 2 8 ILE HA 2 8 ILE MG . . 3.620 2.500 2.203 3.231 . 0 0 "[ . 1 . 2]" 1
864 2 8 ILE HA 2 9 TYS H . . 3.240 2.281 1.989 3.439 0.199 13 0 "[ . 1 . 2]" 1
865 2 8 ILE HB 2 8 ILE MD . . 3.300 3.115 2.304 3.281 . 0 0 "[ . 1 . 2]" 1
866 2 8 ILE HB 2 9 TYS H . . 4.090 3.829 2.119 4.466 0.376 4 0 "[ . 1 . 2]" 1
867 2 8 ILE MD 2 8 ILE MG . . 2.400 2.011 1.730 2.106 . 0 0 "[ . 1 . 2]" 1
868 2 8 ILE MD 2 9 TYS H . . 3.800 4.028 3.531 5.341 1.541 19 5 "[ * 1 ** - +2]" 1
869 2 8 ILE QG 2 8 ILE MG . . 3.000 2.305 2.263 2.410 . 0 0 "[ . 1 . 2]" 1
870 2 8 ILE QG 2 9 TYS H . . 4.420 4.348 1.983 4.837 0.417 6 0 "[ . 1 . 2]" 1
871 2 8 ILE HG12 2 9 TYS H . . 5.280 4.734 2.086 5.237 . 0 0 "[ . 1 . 2]" 1
872 2 8 ILE HG13 2 9 TYS H . . 5.280 5.136 2.480 5.859 0.579 2 2 "[ + -. 1 . 2]" 1
873 2 8 ILE MG 2 9 TYS H . . 3.800 3.060 1.851 3.932 0.132 5 0 "[ . 1 . 2]" 1
874 2 9 TYS H 2 9 TYS HB2 . . 3.640 3.258 2.514 3.999 0.359 13 0 "[ . 1 . 2]" 1
875 2 9 TYS H 2 9 TYS HB3 . . 3.710 3.256 2.550 3.757 0.047 15 0 "[ . 1 . 2]" 1
876 2 9 TYS HB2 3 25 VAL QG . . 4.160 4.052 2.822 4.915 0.755 18 4 "[ ** . 1 .- + 2]" 1
877 2 9 TYS HB3 3 25 VAL QG . . 3.750 4.199 3.710 4.363 0.613 14 8 "[* -. * * *+. * *]" 1
878 2 10 THR H 2 10 THR MG . . 4.660 3.358 2.203 4.041 . 0 0 "[ . 1 . 2]" 1
879 2 10 THR HA 2 10 THR MG . . 3.690 2.481 2.237 3.245 . 0 0 "[ . 1 . 2]" 1
880 2 10 THR HB 2 11 SER H . . 5.040 4.062 3.138 4.524 . 0 0 "[ . 1 . 2]" 1
881 2 12 ASP HB2 2 13 ASN H . . 5.050 3.787 2.135 4.584 . 0 0 "[ . 1 . 2]" 1
882 2 12 ASP HB3 2 13 ASN H . . 5.050 3.910 1.908 4.538 . 0 0 "[ . 1 . 2]" 1
883 2 13 ASN QB 2 14 TYS H . . 4.530 3.324 2.204 3.986 . 0 0 "[ . 1 . 2]" 1
884 2 14 TYS H 2 14 TYS HB2 . . 3.970 2.966 2.458 3.914 . 0 0 "[ . 1 . 2]" 1
885 2 14 TYS H 2 14 TYS HB3 . . 3.970 2.952 2.443 3.484 . 0 0 "[ . 1 . 2]" 1
886 2 14 TYS HB2 2 15 THR H . . 4.250 3.900 2.818 4.406 0.156 6 0 "[ . 1 . 2]" 1
887 2 14 TYS HB3 2 15 THR H . . 4.250 4.205 3.828 4.395 0.145 15 0 "[ . 1 . 2]" 1
888 2 15 THR H 2 15 THR HB . . 3.850 3.195 2.573 3.530 . 0 0 "[ . 1 . 2]" 1
889 2 15 THR H 2 15 THR MG . . 3.950 2.246 1.936 2.614 . 0 0 "[ . 1 . 2]" 1
890 2 15 THR HA 2 15 THR HB . . 2.400 2.443 2.382 2.487 0.087 9 0 "[ . 1 . 2]" 1
891 2 15 THR HA 2 15 THR MG . . 3.080 2.961 2.234 3.199 0.119 19 0 "[ . 1 . 2]" 1
892 2 15 THR HA 2 16 GLU H . . 3.260 2.598 2.073 3.267 0.007 15 0 "[ . 1 . 2]" 1
893 2 15 THR HB 2 16 GLU H . . 5.500 3.765 2.011 4.477 . 0 0 "[ . 1 . 2]" 1
894 2 15 THR MG 2 16 GLU H . . 4.540 3.435 2.728 4.232 . 0 0 "[ . 1 . 2]" 1
895 2 16 GLU H 2 16 GLU HB2 . . 4.090 2.861 2.461 3.641 . 0 0 "[ . 1 . 2]" 1
896 2 16 GLU H 2 16 GLU HB3 . . 3.760 3.325 2.590 3.822 0.062 6 0 "[ . 1 . 2]" 1
897 2 16 GLU H 2 16 GLU QG . . 4.040 2.847 1.845 4.151 0.111 5 0 "[ . 1 . 2]" 1
898 2 16 GLU HA 2 16 GLU QG . . 3.300 2.802 2.385 3.342 0.042 10 0 "[ . 1 . 2]" 1
899 2 16 GLU HA 2 17 GLU H . . 3.290 2.392 2.003 3.349 0.059 5 0 "[ . 1 . 2]" 1
900 2 16 GLU HB2 2 16 GLU QG . . 2.400 2.260 2.138 2.385 . 0 0 "[ . 1 . 2]" 1
901 2 16 GLU HB3 2 16 GLU QG . . 2.400 2.344 2.280 2.378 . 0 0 "[ . 1 . 2]" 1
902 2 17 GLU H 2 17 GLU HB2 . . 3.750 2.818 2.444 3.721 . 0 0 "[ . 1 . 2]" 1
903 2 17 GLU H 2 17 GLU QB . . 3.260 2.575 2.404 3.043 . 0 0 "[ . 1 . 2]" 1
904 2 17 GLU H 2 17 GLU HB3 . . 3.750 3.471 2.711 3.804 0.054 3 0 "[ . 1 . 2]" 1
905 2 17 GLU H 2 17 GLU QG . . 3.820 2.380 1.796 3.307 . 0 0 "[ . 1 . 2]" 1
906 2 17 GLU HA 2 17 GLU QG . . 3.190 2.794 2.360 3.297 0.107 8 0 "[ . 1 . 2]" 1
907 2 17 GLU HA 2 18 MET H . . 3.340 2.397 1.997 3.456 0.116 11 0 "[ . 1 . 2]" 1
908 2 17 GLU HB2 2 17 GLU QG . . 2.400 2.292 2.151 2.385 . 0 0 "[ . 1 . 2]" 1
909 2 17 GLU HB3 2 17 GLU QG . . 2.400 2.330 2.288 2.383 . 0 0 "[ . 1 . 2]" 1
910 2 18 MET H 2 18 MET QB . . 3.410 2.631 2.297 3.410 0.000 11 0 "[ . 1 . 2]" 1
911 2 18 MET H 2 18 MET QG . . 4.250 3.281 2.156 4.293 0.043 19 0 "[ . 1 . 2]" 1
912 2 18 MET HA 2 18 MET QG . . 3.660 2.513 2.238 3.351 . 0 0 "[ . 1 . 2]" 1
913 2 22 ASP QB 2 23 TYS H . . 4.270 2.518 1.687 3.194 . 0 0 "[ . 1 . 2]" 1
914 2 22 ASP QB 2 25 SER QB . . 4.280 3.953 2.534 4.269 . 0 0 "[ . 1 . 2]" 1
915 2 22 ASP HB2 2 23 TYS H . . 5.140 3.563 3.118 3.777 . 0 0 "[ . 1 . 2]" 1
916 2 22 ASP HB2 2 25 SER HB2 . . 5.500 4.865 2.596 5.497 . 0 0 "[ . 1 . 2]" 1
917 2 22 ASP HB2 2 25 SER HB3 . . 5.500 5.475 4.126 5.717 0.217 6 0 "[ . 1 . 2]" 1
918 2 22 ASP HB3 2 23 TYS H . . 5.140 2.604 1.694 3.457 . 0 0 "[ . 1 . 2]" 1
919 2 22 ASP HB3 2 25 SER HB2 . . 5.500 4.610 3.930 5.009 . 0 0 "[ . 1 . 2]" 1
920 2 22 ASP HB3 2 25 SER HB3 . . 5.500 5.596 5.375 5.684 0.184 20 0 "[ . 1 . 2]" 1
921 2 23 TYS H 2 24 ASP H . . 4.810 3.072 2.186 4.180 . 0 0 "[ . 1 . 2]" 1
922 2 23 TYS HB2 2 24 ASP H . . 4.520 4.247 3.580 4.422 . 0 0 "[ . 1 . 2]" 1
923 2 23 TYS HB3 2 24 ASP H . . 4.720 4.388 2.610 4.548 . 0 0 "[ . 1 . 2]" 1
924 2 24 ASP H 2 24 ASP HB2 . . 4.030 3.466 3.087 3.625 . 0 0 "[ . 1 . 2]" 1
925 2 24 ASP H 2 24 ASP HB3 . . 4.030 3.951 2.800 4.100 0.070 7 0 "[ . 1 . 2]" 1
926 2 24 ASP QB 2 25 SER QB . . 4.290 4.174 3.918 4.290 . 0 0 "[ . 1 . 2]" 1
927 2 24 ASP HB2 2 25 SER HB2 . . 5.500 5.311 5.003 5.667 0.167 17 0 "[ . 1 . 2]" 1
928 2 24 ASP HB2 2 25 SER HB3 . . 5.500 5.410 5.187 5.675 0.175 5 0 "[ . 1 . 2]" 1
929 2 24 ASP HB3 2 25 SER HB2 . . 5.500 5.392 4.482 5.627 0.127 20 0 "[ . 1 . 2]" 1
930 2 24 ASP HB3 2 25 SER HB3 . . 5.500 5.115 4.725 5.321 . 0 0 "[ . 1 . 2]" 1
931 2 26 MET HA 2 26 MET HG2 . . 4.240 2.840 2.505 3.771 . 0 0 "[ . 1 . 2]" 1
932 2 26 MET HA 2 26 MET QG . . 3.670 2.522 2.389 2.865 . 0 0 "[ . 1 . 2]" 1
933 2 26 MET HA 2 26 MET HG3 . . 4.240 3.020 2.587 3.825 . 0 0 "[ . 1 . 2]" 1
934 2 26 MET HA 2 27 LYS H . . 3.430 2.308 2.190 2.725 . 0 0 "[ . 1 . 2]" 1
935 2 26 MET QB 2 26 MET QG . . 2.310 2.061 1.991 2.080 . 0 0 "[ . 1 . 2]" 1
936 2 26 MET HB2 2 26 MET HG2 . . 2.980 2.897 2.443 3.003 0.023 20 0 "[ . 1 . 2]" 1
937 2 26 MET HB2 2 26 MET HG3 . . 2.980 2.432 2.268 2.993 0.013 4 0 "[ . 1 . 2]" 1
938 2 26 MET HB3 2 26 MET HG2 . . 2.980 2.524 2.333 3.002 0.022 9 0 "[ . 1 . 2]" 1
939 2 26 MET HB3 2 26 MET HG3 . . 2.980 2.903 2.441 3.007 0.027 12 0 "[ . 1 . 2]" 1
940 2 27 LYS H 2 27 LYS HB2 . . 3.720 2.957 2.691 3.788 0.068 12 0 "[ . 1 . 2]" 1
941 2 27 LYS H 2 27 LYS HB3 . . 3.720 3.661 2.831 3.819 0.099 16 0 "[ . 1 . 2]" 1
942 2 27 LYS H 2 27 LYS QD . . 4.460 4.272 3.635 4.590 0.130 7 0 "[ . 1 . 2]" 1
943 2 27 LYS H 2 27 LYS QG . . 4.020 3.421 2.350 4.286 0.266 6 0 "[ . 1 . 2]" 1
944 2 27 LYS HA 2 27 LYS QD . . 4.260 2.445 1.856 4.371 0.111 12 0 "[ . 1 . 2]" 1
945 2 27 LYS HA 2 27 LYS QE . . 4.660 3.691 2.890 4.700 0.040 6 0 "[ . 1 . 2]" 1
946 2 27 LYS HA 2 27 LYS QG . . 3.860 2.789 2.278 3.527 . 0 0 "[ . 1 . 2]" 1
947 2 27 LYS HA 2 28 GLU H . . 3.130 2.546 2.211 2.766 . 0 0 "[ . 1 . 2]" 1
948 2 27 LYS QB 2 27 LYS QD . . 2.370 2.386 2.112 2.585 0.215 3 0 "[ . 1 . 2]" 1
949 2 27 LYS QB 2 27 LYS QE . . 3.380 2.658 1.852 3.520 0.140 17 0 "[ . 1 . 2]" 1
950 2 27 LYS QB 2 28 GLU H . . 3.530 2.127 1.581 3.559 0.029 6 0 "[ . 1 . 2]" 1
951 2 27 LYS HB2 2 27 LYS QE . . 4.050 3.635 2.832 4.166 0.116 17 0 "[ . 1 . 2]" 1
952 2 27 LYS HB2 2 28 GLU H . . 4.160 3.329 1.890 4.284 0.124 6 0 "[ . 1 . 2]" 1
953 2 27 LYS HB3 2 27 LYS QE . . 4.050 2.843 1.861 4.112 0.062 18 0 "[ . 1 . 2]" 1
954 2 27 LYS HB3 2 28 GLU H . . 4.160 2.301 1.587 3.804 . 0 0 "[ . 1 . 2]" 1
955 2 27 LYS QE 2 27 LYS QG . . 3.290 2.302 2.014 2.855 . 0 0 "[ . 1 . 2]" 1
956 2 27 LYS QG 2 28 GLU H . . 4.440 3.700 1.870 4.482 0.042 16 0 "[ . 1 . 2]" 1
957 2 28 GLU H 2 29 PRO QD . . 4.420 4.323 3.456 4.508 0.088 6 0 "[ . 1 . 2]" 1
958 2 29 PRO HA 2 30 ALA H . . 3.180 2.240 1.978 3.361 0.181 6 0 "[ . 1 . 2]" 1
959 2 29 PRO QB 3 68 LEU QD . . 3.930 3.585 2.915 4.067 0.137 1 0 "[ . 1 . 2]" 1
960 2 29 PRO HB2 2 30 ALA H . . 4.190 3.031 1.750 4.136 . 0 0 "[ . 1 . 2]" 1
961 2 29 PRO HB3 2 30 ALA H . . 4.190 3.557 2.877 4.216 0.026 13 0 "[ . 1 . 2]" 1
962 2 29 PRO QD 2 30 ALA H . . 4.730 4.662 3.033 4.840 0.110 5 0 "[ . 1 . 2]" 1
963 2 29 PRO QD 3 68 LEU QD . . 5.280 5.405 5.257 5.527 0.247 18 0 "[ . 1 . 2]" 1
964 2 29 PRO QG 2 30 ALA H . . 4.440 4.125 2.299 4.575 0.135 4 0 "[ . 1 . 2]" 1
965 2 29 PRO QG 3 68 LEU QD . . 4.600 4.309 3.871 4.694 0.094 3 0 "[ . 1 . 2]" 1
966 2 30 ALA H 2 30 ALA MB . . 3.090 2.462 2.255 2.932 . 0 0 "[ . 1 . 2]" 1
967 2 30 ALA HA 2 31 PHE H . . 3.140 2.963 2.164 3.364 0.224 14 0 "[ . 1 . 2]" 1
968 2 30 ALA MB 2 31 PHE H . . 3.640 3.004 1.919 3.644 0.004 3 0 "[ . 1 . 2]" 1
969 2 31 PHE H 2 31 PHE HB2 . . 3.610 2.916 2.334 3.219 . 0 0 "[ . 1 . 2]" 1
970 2 31 PHE H 2 31 PHE QB . . 3.140 2.729 2.186 3.013 . 0 0 "[ . 1 . 2]" 1
971 2 31 PHE H 2 31 PHE HB3 . . 3.610 3.383 2.518 3.681 0.071 13 0 "[ . 1 . 2]" 1
972 2 31 PHE H 2 31 PHE QD . . 4.350 3.979 2.799 4.289 . 0 0 "[ . 1 . 2]" 1
973 2 31 PHE HA 2 31 PHE QD . . 3.460 2.277 2.062 2.875 . 0 0 "[ . 1 . 2]" 1
974 2 31 PHE HA 2 31 PHE QE . . 4.060 4.212 4.167 4.275 0.215 3 0 "[ . 1 . 2]" 1
975 2 31 PHE HA 2 32 ARG H . . 3.470 3.055 2.045 3.517 0.047 2 0 "[ . 1 . 2]" 1
976 2 31 PHE HB2 2 32 ARG H . . 4.390 3.913 2.910 4.489 0.099 15 0 "[ . 1 . 2]" 1
977 2 31 PHE HB3 2 32 ARG H . . 4.390 3.083 1.832 4.397 0.007 15 0 "[ . 1 . 2]" 1
978 2 31 PHE QD 3 68 LEU QD . . 3.350 2.946 2.108 3.432 0.082 15 0 "[ . 1 . 2]" 1
979 2 32 ARG H 2 32 ARG HB2 . . 4.120 2.881 2.275 3.679 . 0 0 "[ . 1 . 2]" 1
980 2 32 ARG H 2 32 ARG QB . . 3.490 2.738 2.249 3.393 . 0 0 "[ . 1 . 2]" 1
981 2 32 ARG H 2 32 ARG HB3 . . 4.120 3.711 3.256 4.140 0.020 5 0 "[ . 1 . 2]" 1
982 2 32 ARG H 2 32 ARG QG . . 3.940 3.078 2.096 4.224 0.284 15 0 "[ . 1 . 2]" 1
983 2 32 ARG HA 2 32 ARG QD . . 4.480 3.670 1.911 4.290 . 0 0 "[ . 1 . 2]" 1
984 2 32 ARG HA 2 32 ARG QG . . 3.720 2.518 2.132 3.059 . 0 0 "[ . 1 . 2]" 1
985 2 32 ARG HA 2 33 GLU H . . 3.220 2.459 2.011 3.321 0.101 6 0 "[ . 1 . 2]" 1
986 2 32 ARG HB2 2 32 ARG QD . . 3.800 2.670 2.340 3.456 . 0 0 "[ . 1 . 2]" 1
987 2 32 ARG HB3 2 32 ARG QD . . 3.800 2.484 2.244 2.951 . 0 0 "[ . 1 . 2]" 1
988 2 32 ARG QG 2 33 GLU H . . 4.740 3.986 2.363 4.674 . 0 0 "[ . 1 . 2]" 1
989 2 33 GLU H 2 33 GLU HB2 . . 4.190 2.743 2.316 3.712 . 0 0 "[ . 1 . 2]" 1
990 2 33 GLU H 2 33 GLU QB . . 3.530 2.502 2.221 3.420 . 0 0 "[ . 1 . 2]" 1
991 2 33 GLU H 2 33 GLU HB3 . . 4.190 3.228 2.397 4.142 . 0 0 "[ . 1 . 2]" 1
992 2 33 GLU H 2 33 GLU QG . . 4.590 3.179 2.026 4.074 . 0 0 "[ . 1 . 2]" 1
993 2 33 GLU HA 2 33 GLU QG . . 3.130 2.684 2.411 3.278 0.148 12 0 "[ . 1 . 2]" 1
994 2 33 GLU HA 2 34 GLU H . . 3.160 2.224 1.882 2.957 . 0 0 "[ . 1 . 2]" 1
995 2 33 GLU QB 2 34 GLU H . . 3.340 2.991 2.227 3.501 0.161 13 0 "[ . 1 . 2]" 1
996 2 33 GLU HB2 2 33 GLU QG . . 2.400 2.305 2.142 2.411 0.011 3 0 "[ . 1 . 2]" 1
997 2 33 GLU HB2 2 34 GLU H . . 4.050 3.802 3.056 4.207 0.157 9 0 "[ . 1 . 2]" 1
998 2 33 GLU HB3 2 33 GLU QG . . 2.400 2.280 2.152 2.404 0.004 2 0 "[ . 1 . 2]" 1
999 2 33 GLU HB3 2 34 GLU H . . 4.050 3.222 2.288 4.079 0.029 12 0 "[ . 1 . 2]" 1
1000 2 33 GLU QG 2 34 GLU H . . 4.380 3.525 2.319 4.431 0.051 16 0 "[ . 1 . 2]" 1
1001 2 34 GLU H 2 34 GLU HB2 . . 3.790 2.961 2.455 3.892 0.102 14 0 "[ . 1 . 2]" 1
1002 2 34 GLU H 2 34 GLU QB . . 3.260 2.643 2.376 3.292 0.032 14 0 "[ . 1 . 2]" 1
1003 2 34 GLU H 2 34 GLU HB3 . . 3.790 3.365 2.530 3.846 0.056 20 0 "[ . 1 . 2]" 1
1004 2 34 GLU H 2 34 GLU QG . . 3.910 2.832 1.979 4.054 0.144 7 0 "[ . 1 . 2]" 1
1005 2 34 GLU HA 2 34 GLU QG . . 3.200 2.728 2.297 3.337 0.137 4 0 "[ . 1 . 2]" 1
1006 2 34 GLU HB2 2 34 GLU QG . . 2.400 2.318 2.107 2.389 . 0 0 "[ . 1 . 2]" 1
1007 2 34 GLU HB3 2 34 GLU QG . . 2.400 2.307 2.130 2.379 . 0 0 "[ . 1 . 2]" 1
1008 2 38 PHE HA 2 38 PHE QD . . 3.510 2.475 2.255 2.576 . 0 0 "[ . 1 . 2]" 1
1009 2 38 PHE HA 2 38 PHE QE . . 4.260 4.359 4.324 4.391 0.131 14 0 "[ . 1 . 2]" 1
1010 2 40 LYS HA 2 40 LYS QE . . 4.760 4.528 3.823 4.873 0.113 10 0 "[ . 1 . 2]" 1
1011 2 40 LYS QB 2 40 LYS QE . . 3.260 2.898 1.888 3.464 0.204 11 0 "[ . 1 . 2]" 1
1012 2 40 LYS HB2 2 40 LYS QD . . 2.400 2.383 2.228 2.568 0.168 7 0 "[ . 1 . 2]" 1
1013 2 40 LYS HB3 2 40 LYS QD . . 2.400 2.275 2.193 2.323 . 0 0 "[ . 1 . 2]" 1
1014 3 7 LEU HA 3 7 LEU QD . . 3.450 2.914 2.035 3.451 0.001 3 0 "[ . 1 . 2]" 1
1015 3 8 SER HA 3 9 TYR QD . . 4.350 4.007 3.439 4.380 0.030 20 0 "[ . 1 . 2]" 1
1016 3 8 SER QB 3 9 TYR QD . . 4.410 3.794 2.543 4.452 0.042 17 0 "[ . 1 . 2]" 1
1017 3 9 TYR HA 3 9 TYR QD . . 3.860 3.140 2.683 3.794 . 0 0 "[ . 1 . 2]" 1
1018 3 10 ARG HA 3 10 ARG QD . . 4.430 3.727 1.929 4.298 . 0 0 "[ . 1 . 2]" 1
1019 3 10 ARG HA 3 10 ARG QG . . 3.940 2.573 2.409 3.167 . 0 0 "[ . 1 . 2]" 1
1020 3 11 CYS CB 3 36 CYS CB . . 3.990 4.002 3.324 4.171 0.181 16 0 "[ . 1 . 2]" 1
1021 3 11 CYS CB 3 36 CYS SG . . 3.100 3.028 2.959 3.106 0.006 19 0 "[ . 1 . 2]" 1
1022 3 11 CYS QB 3 12 PRO QD . . 4.690 3.138 2.259 3.558 . 0 0 "[ . 1 . 2]" 1
1023 3 11 CYS HB2 3 12 PRO QD . . 5.440 3.901 3.607 4.092 . 0 0 "[ . 1 . 2]" 1
1024 3 11 CYS HB3 3 12 PRO QD . . 5.440 3.432 2.283 4.114 . 0 0 "[ . 1 . 2]" 1
1025 3 11 CYS SG 3 36 CYS CB . . 3.100 3.035 2.983 3.084 . 0 0 "[ . 1 . 2]" 1
1026 3 11 CYS SG 3 36 CYS SG . . 2.100 2.027 2.010 2.051 . 0 0 "[ . 1 . 2]" 1
1027 3 12 PRO HB2 3 31 LEU MD1 . . 5.500 4.734 3.053 5.518 0.018 18 0 "[ . 1 . 2]" 1
1028 3 12 PRO HB2 3 31 LEU QD . . 4.480 4.058 3.040 4.545 0.065 4 0 "[ . 1 . 2]" 1
1029 3 12 PRO HB2 3 31 LEU MD2 . . 5.500 4.668 3.595 5.635 0.135 17 0 "[ . 1 . 2]" 1
1030 3 12 PRO HB2 3 33 THR MG . . 5.310 4.968 4.323 5.381 0.071 3 0 "[ . 1 . 2]" 1
1031 3 12 PRO HB3 3 13 CYS H . . 4.480 3.670 3.443 4.008 . 0 0 "[ . 1 . 2]" 1
1032 3 12 PRO HB3 3 31 LEU QD . . 4.540 3.741 2.486 4.532 . 0 0 "[ . 1 . 2]" 1
1033 3 12 PRO HB3 3 33 THR MG . . 5.020 4.852 4.405 5.098 0.078 7 0 "[ . 1 . 2]" 1
1034 3 12 PRO QD 3 13 CYS H . . 4.540 2.783 2.051 3.141 . 0 0 "[ . 1 . 2]" 1
1035 3 12 PRO QD 3 31 LEU QD . . 4.510 3.933 2.906 4.585 0.075 20 0 "[ . 1 . 2]" 1
1036 3 12 PRO QD 3 33 THR MG . . 4.490 1.884 1.747 2.238 . 0 0 "[ . 1 . 2]" 1
1037 3 12 PRO QG 3 31 LEU QD . . 4.000 2.679 1.931 3.523 . 0 0 "[ . 1 . 2]" 1
1038 3 12 PRO QG 3 33 THR MG . . 4.340 3.003 2.343 3.322 . 0 0 "[ . 1 . 2]" 1
1039 3 13 CYS CB 3 52 CYS CB . . 3.990 3.443 3.185 4.102 0.112 5 0 "[ . 1 . 2]" 1
1040 3 13 CYS CB 3 52 CYS SG . . 3.100 3.013 2.978 3.075 . 0 0 "[ . 1 . 2]" 1
1041 3 13 CYS SG 3 52 CYS CB . . 3.100 3.029 2.996 3.089 . 0 0 "[ . 1 . 2]" 1
1042 3 13 CYS SG 3 52 CYS SG . . 2.100 2.018 2.007 2.034 . 0 0 "[ . 1 . 2]" 1
1043 3 14 ARG HA 3 14 ARG QD . . 4.530 3.365 1.932 4.268 . 0 0 "[ . 1 . 2]" 1
1044 3 14 ARG HA 3 14 ARG HG2 . . 4.120 2.966 2.530 3.826 . 0 0 "[ . 1 . 2]" 1
1045 3 14 ARG HA 3 14 ARG HG3 . . 4.120 3.242 2.476 3.812 . 0 0 "[ . 1 . 2]" 1
1046 3 14 ARG QB 3 15 PHE QD . . 4.200 2.674 1.998 3.353 . 0 0 "[ . 1 . 2]" 1
1047 3 14 ARG QB 3 15 PHE QE . . 4.820 3.320 2.632 4.110 . 0 0 "[ . 1 . 2]" 1
1048 3 14 ARG QD 3 15 PHE QE . . 4.250 3.373 2.271 4.366 0.116 8 0 "[ . 1 . 2]" 1
1049 3 14 ARG QG 3 15 PHE QD . . 4.430 3.942 2.857 4.441 0.011 9 0 "[ . 1 . 2]" 1
1050 3 14 ARG QG 3 15 PHE QE . . 4.910 3.768 2.399 4.345 . 0 0 "[ . 1 . 2]" 1
1051 3 15 PHE H 3 15 PHE QD . . 5.500 2.852 2.284 3.424 . 0 0 "[ . 1 . 2]" 1
1052 3 15 PHE H 3 15 PHE QE . . 5.500 4.825 4.326 5.177 . 0 0 "[ . 1 . 2]" 1
1053 3 15 PHE H 3 16 PHE H . . 5.500 4.376 4.237 4.516 . 0 0 "[ . 1 . 2]" 1
1054 3 15 PHE HA 3 15 PHE QD . . 3.840 2.896 2.632 3.173 . 0 0 "[ . 1 . 2]" 1
1055 3 15 PHE HA 3 15 PHE QE . . 4.670 4.644 4.551 4.697 0.027 12 0 "[ . 1 . 2]" 1
1056 3 15 PHE HA 3 16 PHE QD . . 4.620 3.635 3.145 4.178 . 0 0 "[ . 1 . 2]" 1
1057 3 15 PHE QB 3 16 PHE H . . 4.240 2.819 2.354 3.180 . 0 0 "[ . 1 . 2]" 1
1058 3 15 PHE QD 3 16 PHE H . . 5.080 3.957 3.254 4.369 . 0 0 "[ . 1 . 2]" 1
1059 3 16 PHE H 3 16 PHE QD . . 4.930 3.022 2.678 3.283 . 0 0 "[ . 1 . 2]" 1
1060 3 16 PHE H 4 21 GLY QA . . 5.070 3.884 2.969 5.161 0.091 19 0 "[ . 1 . 2]" 1
1061 3 16 PHE HB2 3 17 GLU H . . 5.350 2.981 2.627 4.000 . 0 0 "[ . 1 . 2]" 1
1062 3 16 PHE HB2 3 52 CYS HB2 . . 5.500 3.951 3.071 5.548 0.048 10 0 "[ . 1 . 2]" 1
1063 3 16 PHE HB2 3 54 ASP H . . 4.780 3.259 2.716 4.145 . 0 0 "[ . 1 . 2]" 1
1064 3 16 PHE HB2 3 54 ASP HA . . 5.500 3.151 2.232 4.140 . 0 0 "[ . 1 . 2]" 1
1065 3 16 PHE HB3 3 17 GLU H . . 5.280 3.668 2.984 3.965 . 0 0 "[ . 1 . 2]" 1
1066 3 16 PHE HB3 3 54 ASP HA . . 5.500 4.047 2.107 5.223 . 0 0 "[ . 1 . 2]" 1
1067 3 16 PHE QD 3 17 GLU H . . 5.500 4.163 3.634 4.554 . 0 0 "[ . 1 . 2]" 1
1068 3 16 PHE QD 3 54 ASP H . . 4.610 3.506 3.004 4.381 . 0 0 "[ . 1 . 2]" 1
1069 3 16 PHE QD 3 54 ASP QB . . 4.520 2.428 2.058 4.127 . 0 0 "[ . 1 . 2]" 1
1070 3 16 PHE QD 3 55 PRO QD . . 5.030 3.752 2.787 5.061 0.031 15 0 "[ . 1 . 2]" 1
1071 3 17 GLU H 3 17 GLU HG2 . . 5.090 3.882 2.092 4.577 . 0 0 "[ . 1 . 2]" 1
1072 3 17 GLU H 3 17 GLU QG . . 4.430 3.447 2.080 4.002 . 0 0 "[ . 1 . 2]" 1
1073 3 17 GLU H 3 17 GLU HG3 . . 5.090 3.923 3.647 4.452 . 0 0 "[ . 1 . 2]" 1
1074 3 17 GLU H 3 20 VAL QG . . 4.960 4.622 4.046 5.052 0.092 14 0 "[ . 1 . 2]" 1
1075 3 17 GLU H 3 53 ILE HA . . 5.230 2.915 2.370 3.377 . 0 0 "[ . 1 . 2]" 1
1076 3 17 GLU H 3 53 ILE MD . . 5.500 4.610 3.329 5.632 0.132 17 0 "[ . 1 . 2]" 1
1077 3 17 GLU H 3 54 ASP H . . 5.070 3.988 3.453 4.737 . 0 0 "[ . 1 . 2]" 1
1078 3 17 GLU HB2 3 20 VAL QG . . 4.210 3.187 2.278 4.266 0.056 18 0 "[ . 1 . 2]" 1
1079 3 17 GLU HB3 3 20 VAL QG . . 3.690 2.737 2.101 3.533 . 0 0 "[ . 1 . 2]" 1
1080 3 17 GLU HB3 3 53 ILE MG . . 5.160 4.067 2.425 5.207 0.047 2 0 "[ . 1 . 2]" 1
1081 3 17 GLU QG 4 25 SER HA . . 4.560 4.520 3.936 4.772 0.212 5 0 "[ . 1 . 2]" 1
1082 3 17 GLU HG2 3 20 VAL QG . . 3.850 3.170 2.309 3.945 0.095 5 0 "[ . 1 . 2]" 1
1083 3 17 GLU HG3 3 20 VAL QG . . 3.850 3.827 2.834 4.099 0.249 20 0 "[ . 1 . 2]" 1
1084 3 18 SER HA 3 54 ASP H . . 4.850 3.246 2.699 3.716 . 0 0 "[ . 1 . 2]" 1
1085 3 18 SER HA 3 54 ASP HB2 . . 5.500 3.369 2.463 4.558 . 0 0 "[ . 1 . 2]" 1
1086 3 18 SER HA 3 54 ASP HB3 . . 5.500 3.128 2.298 4.203 . 0 0 "[ . 1 . 2]" 1
1087 3 18 SER HA 3 57 LEU MD1 . . 4.990 2.237 1.836 2.842 . 0 0 "[ . 1 . 2]" 1
1088 3 18 SER HA 3 57 LEU MD2 . . 5.020 2.983 1.964 4.168 . 0 0 "[ . 1 . 2]" 1
1089 3 18 SER QB 3 54 ASP H . . 4.590 4.481 3.936 4.737 0.147 15 0 "[ . 1 . 2]" 1
1090 3 18 SER QB 3 54 ASP QB . . 4.760 3.061 2.126 3.876 . 0 0 "[ . 1 . 2]" 1
1091 3 18 SER QB 3 57 LEU MD2 . . 4.500 3.123 1.892 4.379 . 0 0 "[ . 1 . 2]" 1
1092 3 18 SER HB2 3 19 HIS HD2 . . 4.600 3.464 2.480 4.639 0.039 5 0 "[ . 1 . 2]" 1
1093 3 18 SER HB3 3 19 HIS HD2 . . 4.600 3.983 2.593 4.726 0.126 8 0 "[ . 1 . 2]" 1
1094 3 19 HIS HA 3 19 HIS HD2 . . 4.680 3.367 2.370 4.179 . 0 0 "[ . 1 . 2]" 1
1095 3 19 HIS QB 3 19 HIS HE1 . . 4.840 4.362 4.317 4.419 . 0 0 "[ . 1 . 2]" 1
1096 3 19 HIS QB 3 20 VAL H . . 4.500 3.689 2.756 3.953 . 0 0 "[ . 1 . 2]" 1
1097 3 19 HIS HD2 3 57 LEU MD2 . . 4.700 4.363 2.471 4.750 0.050 7 0 "[ . 1 . 2]" 1
1098 3 20 VAL H 3 20 VAL QG . . 3.500 2.361 1.850 2.873 . 0 0 "[ . 1 . 2]" 1
1099 3 20 VAL HA 3 21 ALA MB . . 5.370 3.953 3.806 4.069 . 0 0 "[ . 1 . 2]" 1
1100 3 20 VAL HB 3 53 ILE MG . . 3.850 3.809 3.374 4.065 0.215 15 0 "[ . 1 . 2]" 1
1101 3 20 VAL HB 3 57 LEU MD1 . . 4.500 4.012 3.231 4.608 0.108 20 0 "[ . 1 . 2]" 1
1102 3 20 VAL HB 3 59 TRP HZ2 . . 5.130 3.795 2.020 4.817 . 0 0 "[ . 1 . 2]" 1
1103 3 20 VAL QG 3 21 ALA H . . 4.970 2.172 1.860 2.448 . 0 0 "[ . 1 . 2]" 1
1104 3 20 VAL QG 3 24 ASN H . . 4.450 4.325 4.081 4.504 0.054 6 0 "[ . 1 . 2]" 1
1105 3 20 VAL QG 3 24 ASN HB2 . . 5.500 4.648 4.104 5.397 . 0 0 "[ . 1 . 2]" 1
1106 3 20 VAL QG 3 24 ASN HB3 . . 4.690 3.357 2.884 4.017 . 0 0 "[ . 1 . 2]" 1
1107 3 20 VAL QG 3 24 ASN QD . . 5.220 3.619 2.760 5.048 . 0 0 "[ . 1 . 2]" 1
1108 3 20 VAL QG 3 25 VAL H . . 4.320 4.328 3.972 4.475 0.155 14 0 "[ . 1 . 2]" 1
1109 3 20 VAL QG 3 54 ASP H . . 4.790 4.503 3.454 4.975 0.185 15 0 "[ . 1 . 2]" 1
1110 3 20 VAL QG 3 59 TRP HE1 . . 5.110 2.908 1.955 4.331 . 0 0 "[ . 1 . 2]" 1
1111 3 20 VAL QG 3 59 TRP HH2 . . 3.580 3.518 3.062 3.647 0.067 17 0 "[ . 1 . 2]" 1
1112 3 20 VAL QG 3 59 TRP HZ2 . . 3.550 2.178 1.736 3.081 . 0 0 "[ . 1 . 2]" 1
1113 3 20 VAL QG 4 23 TYS HB2 . . 5.100 3.772 2.569 5.499 0.399 19 0 "[ . 1 . 2]" 1
1114 3 20 VAL QG 4 23 TYS HB3 . . 4.910 3.713 2.673 5.175 0.265 18 0 "[ . 1 . 2]" 1
1115 3 21 ALA H 3 24 ASN HB2 . . 5.500 4.170 3.452 5.389 . 0 0 "[ . 1 . 2]" 1
1116 3 21 ALA H 3 24 ASN HB3 . . 5.500 3.170 2.749 3.928 . 0 0 "[ . 1 . 2]" 1
1117 3 21 ALA H 3 24 ASN QD . . 5.340 4.071 2.956 5.440 0.100 11 0 "[ . 1 . 2]" 1
1118 3 21 ALA H 3 25 VAL MG1 . . 5.300 3.995 3.774 4.466 . 0 0 "[ . 1 . 2]" 1
1119 3 21 ALA H 3 25 VAL MG2 . . 5.300 5.368 5.191 5.424 0.124 1 0 "[ . 1 . 2]" 1
1120 3 21 ALA HA 3 59 TRP HE1 . . 5.060 4.383 3.437 5.125 0.065 15 0 "[ . 1 . 2]" 1
1121 3 21 ALA MB 3 22 ARG H . . 4.910 3.043 2.894 3.326 . 0 0 "[ . 1 . 2]" 1
1122 3 21 ALA MB 3 23 ALA H . . 5.140 2.660 2.394 2.928 . 0 0 "[ . 1 . 2]" 1
1123 3 21 ALA MB 3 24 ASN HB2 . . 4.880 2.355 1.850 2.917 . 0 0 "[ . 1 . 2]" 1
1124 3 21 ALA MB 3 24 ASN HB3 . . 4.740 2.437 2.016 3.256 . 0 0 "[ . 1 . 2]" 1
1125 3 21 ALA MB 3 25 VAL QG . . 5.440 4.017 3.773 4.272 . 0 0 "[ . 1 . 2]" 1
1126 3 22 ARG H 3 22 ARG HG2 . . 5.500 4.086 3.555 4.711 . 0 0 "[ . 1 . 2]" 1
1127 3 22 ARG H 3 22 ARG HG3 . . 5.500 3.390 2.072 4.591 . 0 0 "[ . 1 . 2]" 1
1128 3 22 ARG HA 3 25 VAL H . . 4.910 3.461 2.997 4.081 . 0 0 "[ . 1 . 2]" 1
1129 3 22 ARG HA 3 25 VAL MG1 . . 5.500 3.259 2.750 3.887 . 0 0 "[ . 1 . 2]" 1
1130 3 22 ARG HA 3 25 VAL MG2 . . 5.500 2.134 1.846 2.882 . 0 0 "[ . 1 . 2]" 1
1131 3 22 ARG HA 3 59 TRP HH2 . . 5.360 3.894 3.439 4.471 . 0 0 "[ . 1 . 2]" 1
1132 3 22 ARG HA 3 59 TRP HZ2 . . 5.170 4.162 3.197 4.965 . 0 0 "[ . 1 . 2]" 1
1133 3 22 ARG QB 3 59 TRP HH2 . . 4.880 4.508 3.723 4.954 0.074 14 0 "[ . 1 . 2]" 1
1134 3 22 ARG HB2 3 23 ALA H . . 5.500 4.100 3.942 4.252 . 0 0 "[ . 1 . 2]" 1
1135 3 22 ARG HB3 3 23 ALA H . . 5.500 3.588 2.644 4.411 . 0 0 "[ . 1 . 2]" 1
1136 3 22 ARG QD 3 25 VAL H . . 5.040 4.914 4.119 5.155 0.115 7 0 "[ . 1 . 2]" 1
1137 3 22 ARG QD 3 59 TRP HB2 . . 5.500 4.402 3.357 4.873 . 0 0 "[ . 1 . 2]" 1
1138 3 22 ARG QD 3 59 TRP HB3 . . 5.500 5.392 4.788 5.609 0.109 14 0 "[ . 1 . 2]" 1
1139 3 22 ARG QD 3 63 TYR QE . . 4.320 4.323 3.638 4.726 0.406 10 0 "[ . 1 . 2]" 1
1140 3 23 ALA H 3 24 ASN H . . 4.850 2.492 2.381 2.660 . 0 0 "[ . 1 . 2]" 1
1141 3 23 ALA HA 3 25 VAL H . . 4.690 3.981 3.788 4.152 . 0 0 "[ . 1 . 2]" 1
1142 3 23 ALA MB 3 24 ASN H . . 3.770 3.152 2.944 3.217 . 0 0 "[ . 1 . 2]" 1
1143 3 23 ALA MB 3 24 ASN HA . . 5.500 4.004 3.866 4.111 . 0 0 "[ . 1 . 2]" 1
1144 3 23 ALA MB 3 25 VAL H . . 5.500 4.567 4.404 4.665 . 0 0 "[ . 1 . 2]" 1
1145 3 24 ASN H 3 24 ASN HB2 . . 4.070 2.826 2.591 2.944 . 0 0 "[ . 1 . 2]" 1
1146 3 24 ASN H 3 24 ASN HB3 . . 3.970 2.599 2.459 2.716 . 0 0 "[ . 1 . 2]" 1
1147 3 24 ASN H 3 25 VAL H . . 3.650 2.163 2.027 2.270 . 0 0 "[ . 1 . 2]" 1
1148 3 24 ASN HA 3 45 LYS HB2 . . 5.280 4.064 3.235 5.351 0.071 11 0 "[ . 1 . 2]" 1
1149 3 24 ASN HA 3 45 LYS HB3 . . 5.280 5.015 3.273 5.366 0.086 18 0 "[ . 1 . 2]" 1
1150 3 24 ASN HA 3 45 LYS HD3 . . 4.730 2.514 2.014 3.488 . 0 0 "[ . 1 . 2]" 1
1151 3 24 ASN HA 3 45 LYS HG2 . . 5.470 4.213 2.339 5.157 . 0 0 "[ . 1 . 2]" 1
1152 3 24 ASN HA 3 45 LYS HG3 . . 5.310 3.453 1.972 5.340 0.030 2 0 "[ . 1 . 2]" 1
1153 3 24 ASN HB2 3 25 VAL H . . 4.950 4.261 4.197 4.398 . 0 0 "[ . 1 . 2]" 1
1154 3 24 ASN HB2 3 25 VAL QG . . 5.440 4.556 4.294 4.715 . 0 0 "[ . 1 . 2]" 1
1155 3 24 ASN HB2 3 44 LEU QD . . 4.950 4.099 3.691 4.412 . 0 0 "[ . 1 . 2]" 1
1156 3 24 ASN HB2 3 45 LYS HD3 . . 5.500 4.874 4.254 5.693 0.193 18 0 "[ . 1 . 2]" 1
1157 3 24 ASN HB3 3 25 VAL H . . 4.820 3.424 3.193 3.671 . 0 0 "[ . 1 . 2]" 1
1158 3 24 ASN HB3 3 44 LEU QD . . 5.280 2.940 2.325 3.347 . 0 0 "[ . 1 . 2]" 1
1159 3 24 ASN QD 3 44 LEU HB2 . . 5.340 4.486 3.557 5.399 0.059 3 0 "[ . 1 . 2]" 1
1160 3 24 ASN QD 3 44 LEU QD . . 5.270 2.139 1.607 3.452 . 0 0 "[ . 1 . 2]" 1
1161 3 25 VAL H 3 25 VAL MG1 . . 4.420 2.573 2.445 2.783 . 0 0 "[ . 1 . 2]" 1
1162 3 25 VAL H 3 25 VAL QG . . 3.290 1.953 1.831 2.075 . 0 0 "[ . 1 . 2]" 1
1163 3 25 VAL H 3 25 VAL MG2 . . 4.420 2.025 1.880 2.156 . 0 0 "[ . 1 . 2]" 1
1164 3 25 VAL HB 3 44 LEU H . . 5.500 5.514 5.064 5.624 0.124 18 0 "[ . 1 . 2]" 1
1165 3 25 VAL QG 3 26 LYS H . . 4.350 3.334 3.210 3.456 . 0 0 "[ . 1 . 2]" 1
1166 3 25 VAL QG 3 42 ALA HA . . 4.960 4.368 4.066 4.605 . 0 0 "[ . 1 . 2]" 1
1167 3 25 VAL QG 3 44 LEU H . . 5.440 4.427 3.829 4.692 . 0 0 "[ . 1 . 2]" 1
1168 3 25 VAL QG 3 59 TRP HH2 . . 3.860 2.311 1.989 2.872 . 0 0 "[ . 1 . 2]" 1
1169 3 25 VAL QG 3 59 TRP HZ2 . . 3.740 3.192 2.660 3.760 0.020 3 0 "[ . 1 . 2]" 1
1170 3 26 LYS H 3 26 LYS QD . . 4.460 4.414 3.809 4.584 0.124 6 0 "[ . 1 . 2]" 1
1171 3 26 LYS H 3 26 LYS HG2 . . 4.720 3.651 3.358 4.363 . 0 0 "[ . 1 . 2]" 1
1172 3 26 LYS H 3 26 LYS QG . . 4.020 2.591 2.265 3.907 . 0 0 "[ . 1 . 2]" 1
1173 3 26 LYS H 3 26 LYS HG3 . . 4.720 2.681 2.303 4.426 . 0 0 "[ . 1 . 2]" 1
1174 3 26 LYS H 3 27 HIS H . . 3.980 2.405 1.952 2.820 . 0 0 "[ . 1 . 2]" 1
1175 3 26 LYS H 3 43 ARG H . . 4.790 3.827 3.326 4.185 . 0 0 "[ . 1 . 2]" 1
1176 3 26 LYS H 3 43 ARG O . . 2.000 1.805 1.648 2.023 0.023 5 0 "[ . 1 . 2]" 1
1177 3 26 LYS H 3 45 LYS HG3 . . 5.500 4.360 3.327 5.655 0.155 18 0 "[ . 1 . 2]" 1
1178 3 26 LYS HA 3 26 LYS QD . . 4.680 3.972 3.865 4.247 . 0 0 "[ . 1 . 2]" 1
1179 3 26 LYS HA 3 45 LYS HD2 . . 5.050 4.045 2.735 5.090 0.040 7 0 "[ . 1 . 2]" 1
1180 3 26 LYS HA 3 45 LYS HD3 . . 5.500 5.032 2.716 5.643 0.143 8 0 "[ . 1 . 2]" 1
1181 3 26 LYS HA 3 45 LYS HG2 . . 5.360 3.925 3.108 5.508 0.148 2 0 "[ . 1 . 2]" 1
1182 3 26 LYS HA 3 45 LYS HG3 . . 5.300 4.283 3.537 5.410 0.110 18 0 "[ . 1 . 2]" 1
1183 3 26 LYS QB 3 26 LYS QD . . 2.650 2.309 2.229 2.461 . 0 0 "[ . 1 . 2]" 1
1184 3 26 LYS QB 3 26 LYS QE . . 2.910 2.083 1.891 2.211 . 0 0 "[ . 1 . 2]" 1
1185 3 26 LYS QB 3 43 ARG H . . 4.630 4.070 3.311 4.421 . 0 0 "[ . 1 . 2]" 1
1186 3 26 LYS QB 3 45 LYS HA . . 5.340 3.889 1.787 4.615 . 0 0 "[ . 1 . 2]" 1
1187 3 26 LYS HB2 3 26 LYS QE . . 3.570 2.193 2.021 2.822 . 0 0 "[ . 1 . 2]" 1
1188 3 26 LYS HB2 3 27 HIS H . . 4.030 2.719 2.053 3.916 . 0 0 "[ . 1 . 2]" 1
1189 3 26 LYS HB3 3 26 LYS QE . . 3.570 2.785 2.060 2.978 . 0 0 "[ . 1 . 2]" 1
1190 3 26 LYS HB3 3 27 HIS H . . 4.030 3.484 2.217 4.013 . 0 0 "[ . 1 . 2]" 1
1191 3 26 LYS QD 3 27 HIS H . . 5.500 5.142 3.900 5.525 0.025 14 0 "[ . 1 . 2]" 1
1192 3 26 LYS QE 3 43 ARG H . . 5.120 4.762 4.100 5.220 0.100 5 0 "[ . 1 . 2]" 1
1193 3 26 LYS QE 3 45 LYS H . . 5.500 4.616 3.751 5.531 0.031 4 0 "[ . 1 . 2]" 1
1194 3 26 LYS QE 3 45 LYS HA . . 4.800 3.209 2.564 3.967 . 0 0 "[ . 1 . 2]" 1
1195 3 26 LYS QG 3 27 HIS H . . 3.880 3.921 3.284 4.045 0.165 5 0 "[ . 1 . 2]" 1
1196 3 26 LYS QG 3 45 LYS H . . 4.120 3.265 3.021 4.294 0.174 18 0 "[ . 1 . 2]" 1
1197 3 26 LYS QG 3 45 LYS HA . . 3.800 2.298 1.712 3.195 . 0 0 "[ . 1 . 2]" 1
1198 3 26 LYS HG2 3 45 LYS HA . . 4.570 2.914 2.062 4.558 . 0 0 "[ . 1 . 2]" 1
1199 3 26 LYS HG3 3 45 LYS HA . . 4.570 2.421 1.829 3.316 . 0 0 "[ . 1 . 2]" 1
1200 3 26 LYS N 3 43 ARG O . . 3.000 2.758 2.622 2.921 . 0 0 "[ . 1 . 2]" 1
1201 3 27 HIS H 3 42 ALA HA . . 5.450 4.270 3.826 4.695 . 0 0 "[ . 1 . 2]" 1
1202 3 27 HIS H 3 42 ALA MB . . 5.500 3.663 3.305 4.305 . 0 0 "[ . 1 . 2]" 1
1203 3 27 HIS H 3 43 ARG H . . 4.320 3.144 2.903 3.419 . 0 0 "[ . 1 . 2]" 1
1204 3 27 HIS HB2 3 28 LEU H . . 4.880 2.369 2.082 4.274 . 0 0 "[ . 1 . 2]" 1
1205 3 27 HIS HB3 3 28 LEU H . . 4.960 3.755 3.593 4.348 . 0 0 "[ . 1 . 2]" 1
1206 3 27 HIS HE1 3 29 LYS QE . . 4.620 4.717 4.616 4.773 0.153 4 0 "[ . 1 . 2]" 1
1207 3 27 HIS HE1 3 43 ARG QB . . 3.960 3.884 3.244 4.130 0.170 10 0 "[ . 1 . 2]" 1
1208 3 27 HIS HE1 3 43 ARG QD . . 4.220 3.503 2.651 4.299 0.079 9 0 "[ . 1 . 2]" 1
1209 3 27 HIS HE1 3 43 ARG QG . . 3.980 3.741 2.353 4.110 0.130 7 0 "[ . 1 . 2]" 1
1210 3 28 LEU H 3 28 LEU MD1 . . 4.940 3.287 2.472 4.229 . 0 0 "[ . 1 . 2]" 1
1211 3 28 LEU H 3 28 LEU QD . . 4.250 2.993 2.454 3.808 . 0 0 "[ . 1 . 2]" 1
1212 3 28 LEU H 3 28 LEU MD2 . . 4.940 4.034 3.537 4.458 . 0 0 "[ . 1 . 2]" 1
1213 3 28 LEU H 3 28 LEU HG . . 4.720 3.803 2.906 4.527 . 0 0 "[ . 1 . 2]" 1
1214 3 28 LEU HA 3 28 LEU QD . . 3.690 2.451 1.970 2.890 . 0 0 "[ . 1 . 2]" 1
1215 3 28 LEU HA 3 43 ARG H . . 5.500 4.384 3.845 4.868 . 0 0 "[ . 1 . 2]" 1
1216 3 28 LEU HB2 3 63 TYR QE . . 4.310 3.773 2.911 4.359 0.049 2 0 "[ . 1 . 2]" 1
1217 3 28 LEU HB3 3 29 LYS H . . 5.500 3.038 2.402 4.011 . 0 0 "[ . 1 . 2]" 1
1218 3 28 LEU QD 3 29 LYS H . . 4.200 3.795 2.908 4.278 0.078 11 0 "[ . 1 . 2]" 1
1219 3 28 LEU QD 3 42 ALA HA . . 4.510 3.905 3.019 4.532 0.022 20 0 "[ . 1 . 2]" 1
1220 3 28 LEU QD 3 42 ALA MB . . 3.310 2.653 1.939 3.350 0.040 20 0 "[ . 1 . 2]" 1
1221 3 28 LEU QD 3 59 TRP HH2 . . 4.100 2.734 1.913 3.744 . 0 0 "[ . 1 . 2]" 1
1222 3 28 LEU QD 3 59 TRP HZ2 . . 5.230 4.521 3.864 5.241 0.011 8 0 "[ . 1 . 2]" 1
1223 3 28 LEU QD 3 59 TRP HZ3 . . 4.520 2.083 1.842 2.584 . 0 0 "[ . 1 . 2]" 1
1224 3 28 LEU QD 3 60 ILE QG . . 3.740 3.693 3.396 3.817 0.077 19 0 "[ . 1 . 2]" 1
1225 3 28 LEU QD 3 63 TYR HB2 . . 4.960 3.839 3.538 4.276 . 0 0 "[ . 1 . 2]" 1
1226 3 28 LEU QD 3 63 TYR HB3 . . 5.440 3.381 3.178 3.634 . 0 0 "[ . 1 . 2]" 1
1227 3 28 LEU QD 3 63 TYR QD . . 3.940 2.727 2.405 3.005 . 0 0 "[ . 1 . 2]" 1
1228 3 28 LEU QD 3 63 TYR QE . . 4.300 2.719 2.363 3.356 . 0 0 "[ . 1 . 2]" 1
1229 3 28 LEU QD 3 64 LEU H . . 4.880 4.851 4.535 4.954 0.074 14 0 "[ . 1 . 2]" 1
1230 3 28 LEU MD1 3 29 LYS H . . 5.500 4.529 2.951 5.079 . 0 0 "[ . 1 . 2]" 1
1231 3 28 LEU MD1 3 59 TRP HH2 . . 4.950 3.412 2.465 4.802 . 0 0 "[ . 1 . 2]" 1
1232 3 28 LEU MD1 3 59 TRP HZ3 . . 5.190 2.374 2.041 3.313 . 0 0 "[ . 1 . 2]" 1
1233 3 28 LEU MD2 3 29 LYS H . . 5.500 4.251 3.420 4.936 . 0 0 "[ . 1 . 2]" 1
1234 3 28 LEU MD2 3 59 TRP HH2 . . 4.950 3.311 1.923 4.897 . 0 0 "[ . 1 . 2]" 1
1235 3 28 LEU MD2 3 59 TRP HZ3 . . 5.190 2.506 1.949 3.292 . 0 0 "[ . 1 . 2]" 1
1236 3 29 LYS H 3 29 LYS HG2 . . 5.000 4.456 4.318 4.748 . 0 0 "[ . 1 . 2]" 1
1237 3 29 LYS H 3 29 LYS HG3 . . 4.950 4.690 4.459 4.766 . 0 0 "[ . 1 . 2]" 1
1238 3 29 LYS H 3 30 ILE H . . 5.140 4.208 4.022 4.361 . 0 0 "[ . 1 . 2]" 1
1239 3 29 LYS H 3 40 ILE MD . . 5.500 5.178 4.121 5.526 0.026 15 0 "[ . 1 . 2]" 1
1240 3 29 LYS H 3 40 ILE MG . . 4.770 2.778 2.301 3.171 . 0 0 "[ . 1 . 2]" 1
1241 3 29 LYS H 3 41 VAL H . . 4.430 2.764 2.406 2.997 . 0 0 "[ . 1 . 2]" 1
1242 3 29 LYS H 3 41 VAL MG1 . . 5.500 4.695 4.478 4.914 . 0 0 "[ . 1 . 2]" 1
1243 3 29 LYS H 3 41 VAL QG . . 4.260 4.149 3.159 4.351 0.091 3 0 "[ . 1 . 2]" 1
1244 3 29 LYS H 3 41 VAL MG2 . . 5.500 4.682 3.197 4.988 . 0 0 "[ . 1 . 2]" 1
1245 3 29 LYS H 3 41 VAL O . . 2.000 1.964 1.753 2.063 0.063 5 0 "[ . 1 . 2]" 1
1246 3 29 LYS H 3 42 ALA HA . . 4.990 3.513 3.228 3.935 . 0 0 "[ . 1 . 2]" 1
1247 3 29 LYS HA 3 29 LYS HD2 . . 5.390 4.789 3.903 4.931 . 0 0 "[ . 1 . 2]" 1
1248 3 29 LYS HA 3 29 LYS HD3 . . 5.390 4.216 2.694 4.874 . 0 0 "[ . 1 . 2]" 1
1249 3 29 LYS HA 3 29 LYS HE2 . . 5.500 5.052 4.606 5.729 0.229 1 0 "[ . 1 . 2]" 1
1250 3 29 LYS HA 3 29 LYS HE3 . . 5.500 5.078 4.406 5.739 0.239 19 0 "[ . 1 . 2]" 1
1251 3 29 LYS QB 3 29 LYS HE2 . . 4.670 2.531 1.939 3.587 . 0 0 "[ . 1 . 2]" 1
1252 3 29 LYS QB 3 29 LYS QE . . 4.100 2.136 1.906 3.116 . 0 0 "[ . 1 . 2]" 1
1253 3 29 LYS QB 3 29 LYS HE3 . . 4.670 2.622 1.921 3.422 . 0 0 "[ . 1 . 2]" 1
1254 3 29 LYS QB 3 30 ILE H . . 5.170 3.776 3.684 3.891 . 0 0 "[ . 1 . 2]" 1
1255 3 29 LYS QB 3 41 VAL H . . 4.790 3.309 2.687 3.684 . 0 0 "[ . 1 . 2]" 1
1256 3 29 LYS HD2 3 29 LYS HG2 . . 2.400 2.402 2.326 2.444 0.044 7 0 "[ . 1 . 2]" 1
1257 3 29 LYS QE 3 31 LEU QD . . 4.170 2.758 1.937 3.853 . 0 0 "[ . 1 . 2]" 1
1258 3 29 LYS HE2 3 29 LYS HG2 . . 4.090 3.285 2.760 3.766 . 0 0 "[ . 1 . 2]" 1
1259 3 29 LYS HE3 3 29 LYS HG2 . . 4.090 2.828 2.474 3.735 . 0 0 "[ . 1 . 2]" 1
1260 3 29 LYS HG2 3 30 ILE H . . 4.820 3.434 3.072 4.814 . 0 0 "[ . 1 . 2]" 1
1261 3 29 LYS N 3 41 VAL O . . 3.000 2.750 2.672 2.837 . 0 0 "[ . 1 . 2]" 1
1262 3 29 LYS O 3 41 VAL H . . 2.000 1.724 1.637 1.852 . 0 0 "[ . 1 . 2]" 1
1263 3 29 LYS O 3 41 VAL N . . 3.000 2.692 2.620 2.811 . 0 0 "[ . 1 . 2]" 1
1264 3 30 ILE H 3 30 ILE MD . . 4.360 3.889 3.801 4.077 . 0 0 "[ . 1 . 2]" 1
1265 3 30 ILE H 3 30 ILE QG . . 4.430 2.482 2.341 2.718 . 0 0 "[ . 1 . 2]" 1
1266 3 30 ILE H 3 30 ILE MG . . 4.670 3.822 3.782 3.848 . 0 0 "[ . 1 . 2]" 1
1267 3 30 ILE HA 3 30 ILE MD . . 4.470 3.858 3.793 3.877 . 0 0 "[ . 1 . 2]" 1
1268 3 30 ILE HA 3 40 ILE MD . . 5.500 4.230 2.533 4.864 . 0 0 "[ . 1 . 2]" 1
1269 3 30 ILE HA 3 40 ILE MG . . 4.860 3.475 3.020 4.444 . 0 0 "[ . 1 . 2]" 1
1270 3 30 ILE HB 3 30 ILE MD . . 3.700 2.462 2.444 2.487 . 0 0 "[ . 1 . 2]" 1
1271 3 30 ILE HB 3 31 LEU H . . 4.320 4.163 4.025 4.297 . 0 0 "[ . 1 . 2]" 1
1272 3 30 ILE MD 3 30 ILE MG . . 3.200 1.901 1.862 1.955 . 0 0 "[ . 1 . 2]" 1
1273 3 30 ILE MD 3 31 LEU H . . 5.300 5.168 5.033 5.310 0.010 11 0 "[ . 1 . 2]" 1
1274 3 30 ILE QG 3 31 LEU H . . 5.170 4.226 4.116 4.320 . 0 0 "[ . 1 . 2]" 1
1275 3 30 ILE MG 3 31 LEU H . . 4.410 2.768 2.539 3.022 . 0 0 "[ . 1 . 2]" 1
1276 3 30 ILE MG 3 38 CYS HA . . 5.500 4.014 3.228 4.613 . 0 0 "[ . 1 . 2]" 1
1277 3 30 ILE MG 3 40 ILE MD . . 3.590 3.317 2.012 3.640 0.050 19 0 "[ . 1 . 2]" 1
1278 3 30 ILE MG 3 40 ILE QG . . 4.080 2.760 2.033 4.113 0.033 10 0 "[ . 1 . 2]" 1
1279 3 31 LEU H 3 31 LEU MD1 . . 4.750 3.231 2.561 4.298 . 0 0 "[ . 1 . 2]" 1
1280 3 31 LEU H 3 31 LEU QD . . 3.920 2.765 2.507 3.811 . 0 0 "[ . 1 . 2]" 1
1281 3 31 LEU H 3 31 LEU MD2 . . 4.750 3.934 2.538 4.591 . 0 0 "[ . 1 . 2]" 1
1282 3 31 LEU H 3 39 GLN H . . 4.690 3.575 2.936 4.133 . 0 0 "[ . 1 . 2]" 1
1283 3 31 LEU H 3 39 GLN QB . . 5.500 3.131 2.363 3.837 . 0 0 "[ . 1 . 2]" 1
1284 3 31 LEU HA 3 39 GLN QB . . 5.500 4.790 4.281 5.618 0.118 19 0 "[ . 1 . 2]" 1
1285 3 31 LEU QD 4 14 TYS HB2 . . 4.360 3.539 2.237 5.517 1.157 16 2 "[ . 1 -.+ 2]" 1
1286 3 31 LEU QD 4 14 TYS HB3 . . 4.360 3.371 2.522 4.381 0.021 6 0 "[ . 1 . 2]" 1
1287 3 31 LEU MD1 3 32 ASN H . . 5.500 4.625 3.604 5.523 0.023 2 0 "[ . 1 . 2]" 1
1288 3 31 LEU MD2 3 32 ASN H . . 5.500 4.720 3.758 5.378 . 0 0 "[ . 1 . 2]" 1
1289 3 33 THR HB 3 34 PRO QD . . 4.890 2.464 1.894 3.970 . 0 0 "[ . 1 . 2]" 1
1290 3 33 THR MG 3 34 PRO QD . . 4.340 3.084 2.161 3.499 . 0 0 "[ . 1 . 2]" 1
1291 3 33 THR MG 3 36 CYS HB2 . . 5.380 3.763 2.195 5.390 0.010 18 0 "[ . 1 . 2]" 1
1292 3 33 THR MG 3 36 CYS HB3 . . 5.350 4.881 3.752 5.426 0.076 1 0 "[ . 1 . 2]" 1
1293 3 33 THR MG 3 39 GLN QE . . 5.340 4.631 2.271 5.436 0.096 11 0 "[ . 1 . 2]" 1
1294 3 36 CYS HB2 3 39 GLN HE21 . . 5.140 4.098 2.815 5.185 0.045 2 0 "[ . 1 . 2]" 1
1295 3 36 CYS HB2 3 39 GLN QE . . 4.510 3.619 2.646 4.519 0.009 11 0 "[ . 1 . 2]" 1
1296 3 36 CYS HB2 3 39 GLN HE22 . . 5.140 4.399 2.702 5.204 0.064 20 0 "[ . 1 . 2]" 1
1297 3 37 ALA MB 3 38 CYS H . . 5.500 2.091 1.775 2.437 . 0 0 "[ . 1 . 2]" 1
1298 3 37 ALA MB 3 39 GLN HE21 . . 5.500 4.891 3.570 5.555 0.055 2 0 "[ . 1 . 2]" 1
1299 3 37 ALA MB 3 39 GLN HE22 . . 5.500 5.145 4.184 5.630 0.130 9 0 "[ . 1 . 2]" 1
1300 3 37 ALA MB 3 56 LYS QD . . 5.270 4.478 3.973 5.286 0.016 3 0 "[ . 1 . 2]" 1
1301 3 38 CYS HB2 3 39 GLN H . . 5.500 4.281 4.020 4.537 . 0 0 "[ . 1 . 2]" 1
1302 3 38 CYS HB3 3 39 GLN H . . 5.500 3.953 3.350 4.436 . 0 0 "[ . 1 . 2]" 1
1303 3 39 GLN H 3 39 GLN QE . . 4.950 3.876 1.905 4.954 0.004 8 0 "[ . 1 . 2]" 1
1304 3 39 GLN H 3 39 GLN QG . . 4.760 3.851 2.167 4.264 . 0 0 "[ . 1 . 2]" 1
1305 3 39 GLN H 3 55 PRO HG3 . . 4.540 4.605 4.520 4.707 0.167 3 0 "[ . 1 . 2]" 1
1306 3 39 GLN QB 3 40 ILE H . . 4.930 3.649 2.939 3.890 . 0 0 "[ . 1 . 2]" 1
1307 3 39 GLN QE 3 41 VAL QG . . 4.930 4.872 3.953 5.110 0.180 4 0 "[ . 1 . 2]" 1
1308 3 39 GLN QE 3 55 PRO HG3 . . 4.940 4.513 2.939 5.064 0.124 19 0 "[ . 1 . 2]" 1
1309 3 40 ILE H 3 40 ILE HB . . 3.950 2.602 2.429 2.798 . 0 0 "[ . 1 . 2]" 1
1310 3 40 ILE H 3 40 ILE MD . . 4.160 3.870 3.428 4.166 0.006 18 0 "[ . 1 . 2]" 1
1311 3 40 ILE H 3 40 ILE MG . . 4.150 3.810 3.715 3.895 . 0 0 "[ . 1 . 2]" 1
1312 3 40 ILE H 3 53 ILE H . . 5.500 3.683 3.394 3.972 . 0 0 "[ . 1 . 2]" 1
1313 3 40 ILE HB 3 40 ILE MD . . 3.640 2.630 2.460 3.247 . 0 0 "[ . 1 . 2]" 1
1314 3 40 ILE HB 3 41 VAL H . . 4.160 4.104 3.967 4.194 0.034 9 0 "[ . 1 . 2]" 1
1315 3 40 ILE HB 3 53 ILE H . . 5.350 3.217 2.687 3.966 . 0 0 "[ . 1 . 2]" 1
1316 3 40 ILE HB 3 53 ILE HB . . 5.270 3.026 1.999 4.083 . 0 0 "[ . 1 . 2]" 1
1317 3 40 ILE HB 3 53 ILE MG . . 4.130 3.834 2.820 4.382 0.252 11 0 "[ . 1 . 2]" 1
1318 3 40 ILE HB 3 60 ILE QG . . 5.340 4.343 3.566 4.684 . 0 0 "[ . 1 . 2]" 1
1319 3 40 ILE MD 3 53 ILE HB . . 4.610 4.134 3.541 4.629 0.019 8 0 "[ . 1 . 2]" 1
1320 3 40 ILE MD 3 60 ILE MD . . 3.270 2.551 2.099 3.298 0.028 6 0 "[ . 1 . 2]" 1
1321 3 40 ILE MD 3 60 ILE QG . . 4.190 3.299 2.661 4.251 0.061 2 0 "[ . 1 . 2]" 1
1322 3 40 ILE MD 3 60 ILE MG . . 3.350 2.274 1.908 3.255 . 0 0 "[ . 1 . 2]" 1
1323 3 40 ILE QG 3 41 VAL H . . 5.500 4.335 3.998 4.773 . 0 0 "[ . 1 . 2]" 1
1324 3 40 ILE QG 3 60 ILE QG . . 5.340 4.547 2.836 5.353 0.013 8 0 "[ . 1 . 2]" 1
1325 3 40 ILE MG 3 41 VAL H . . 4.170 2.700 2.524 2.902 . 0 0 "[ . 1 . 2]" 1
1326 3 40 ILE MG 3 53 ILE H . . 5.500 3.691 3.129 4.115 . 0 0 "[ . 1 . 2]" 1
1327 3 40 ILE MG 3 53 ILE HB . . 4.390 3.269 1.867 4.517 0.127 1 0 "[ . 1 . 2]" 1
1328 3 40 ILE MG 3 53 ILE QG . . 4.410 2.933 2.302 4.315 . 0 0 "[ . 1 . 2]" 1
1329 3 40 ILE MG 3 55 PRO QD . . 5.500 5.307 4.714 5.567 0.067 19 0 "[ . 1 . 2]" 1
1330 3 40 ILE O 3 53 ILE H . . 2.000 1.714 1.619 1.789 . 0 0 "[ . 1 . 2]" 1
1331 3 40 ILE O 3 53 ILE N . . 3.000 2.672 2.582 2.761 . 0 0 "[ . 1 . 2]" 1
1332 3 41 VAL H 3 41 VAL MG1 . . 4.440 3.804 2.747 3.902 . 0 0 "[ . 1 . 2]" 1
1333 3 41 VAL H 3 41 VAL QG . . 3.420 2.541 2.113 2.668 . 0 0 "[ . 1 . 2]" 1
1334 3 41 VAL H 3 41 VAL MG2 . . 4.440 2.582 2.196 2.720 . 0 0 "[ . 1 . 2]" 1
1335 3 41 VAL HA 3 52 CYS HA . . 5.480 2.029 1.814 2.256 . 0 0 "[ . 1 . 2]" 1
1336 3 41 VAL HA 3 53 ILE H . . 4.430 2.893 2.513 3.401 . 0 0 "[ . 1 . 2]" 1
1337 3 41 VAL QG 3 42 ALA H . . 3.800 2.604 2.401 3.365 . 0 0 "[ . 1 . 2]" 1
1338 3 41 VAL QG 3 51 VAL H . . 4.220 3.843 3.366 4.382 0.162 7 0 "[ . 1 . 2]" 1
1339 3 41 VAL MG1 3 42 ALA H . . 4.760 2.651 2.418 3.807 . 0 0 "[ . 1 . 2]" 1
1340 3 41 VAL MG2 3 42 ALA H . . 4.760 4.101 3.748 4.183 . 0 0 "[ . 1 . 2]" 1
1341 3 42 ALA H 3 51 VAL H . . 4.690 3.339 2.829 3.633 . 0 0 "[ . 1 . 2]" 1
1342 3 42 ALA H 3 51 VAL O . . 2.000 1.775 1.666 1.979 . 0 0 "[ . 1 . 2]" 1
1343 3 42 ALA H 3 53 ILE H . . 5.120 4.006 3.793 4.276 . 0 0 "[ . 1 . 2]" 1
1344 3 42 ALA MB 3 43 ARG H . . 3.780 2.812 2.630 3.042 . 0 0 "[ . 1 . 2]" 1
1345 3 42 ALA MB 3 51 VAL H . . 4.890 3.748 3.443 3.996 . 0 0 "[ . 1 . 2]" 1
1346 3 42 ALA MB 3 51 VAL HB . . 5.430 5.022 4.483 5.476 0.046 19 0 "[ . 1 . 2]" 1
1347 3 42 ALA MB 3 51 VAL QG . . 3.150 2.614 2.062 3.056 . 0 0 "[ . 1 . 2]" 1
1348 3 42 ALA MB 3 53 ILE H . . 4.590 4.427 3.945 4.611 0.021 17 0 "[ . 1 . 2]" 1
1349 3 42 ALA MB 3 59 TRP HH2 . . 4.760 3.390 2.835 3.865 . 0 0 "[ . 1 . 2]" 1
1350 3 42 ALA MB 3 59 TRP HZ2 . . 4.940 4.577 4.010 4.989 0.049 8 0 "[ . 1 . 2]" 1
1351 3 42 ALA N 3 51 VAL O . . 3.000 2.747 2.645 2.956 . 0 0 "[ . 1 . 2]" 1
1352 3 42 ALA O 3 51 VAL H . . 2.000 1.927 1.709 2.081 0.081 9 0 "[ . 1 . 2]" 1
1353 3 42 ALA O 3 51 VAL N . . 3.000 2.864 2.676 3.038 0.038 9 0 "[ . 1 . 2]" 1
1354 3 43 ARG H 3 43 ARG QD . . 5.500 4.298 3.944 4.575 . 0 0 "[ . 1 . 2]" 1
1355 3 43 ARG H 3 51 VAL H . . 5.500 4.956 4.732 5.162 . 0 0 "[ . 1 . 2]" 1
1356 3 43 ARG HA 3 50 GLN HA . . 5.500 2.379 1.947 2.742 . 0 0 "[ . 1 . 2]" 1
1357 3 43 ARG HA 3 50 GLN HG2 . . 5.500 4.936 3.027 5.515 0.015 1 0 "[ . 1 . 2]" 1
1358 3 43 ARG HA 3 50 GLN HG3 . . 5.500 4.489 2.484 5.517 0.017 7 0 "[ . 1 . 2]" 1
1359 3 43 ARG HA 3 51 VAL H . . 5.500 3.269 2.878 3.698 . 0 0 "[ . 1 . 2]" 1
1360 3 43 ARG QB 3 44 LEU H . . 4.600 3.215 2.883 3.857 . 0 0 "[ . 1 . 2]" 1
1361 3 43 ARG QB 3 50 GLN QG . . 5.340 4.632 2.916 5.392 0.052 12 0 "[ . 1 . 2]" 1
1362 3 43 ARG QD 3 44 LEU H . . 5.120 4.679 3.167 5.272 0.152 13 0 "[ . 1 . 2]" 1
1363 3 43 ARG QD 3 50 GLN HB2 . . 5.500 4.341 2.211 5.473 . 0 0 "[ . 1 . 2]" 1
1364 3 43 ARG QD 3 50 GLN HB3 . . 5.500 3.774 2.174 5.478 . 0 0 "[ . 1 . 2]" 1
1365 3 43 ARG QD 3 50 GLN QG . . 5.340 4.104 1.914 5.335 . 0 0 "[ . 1 . 2]" 1
1366 3 44 LEU H 3 44 LEU HB2 . . 4.140 2.421 2.064 2.558 . 0 0 "[ . 1 . 2]" 1
1367 3 44 LEU H 3 44 LEU MD1 . . 4.410 3.657 3.405 4.195 . 0 0 "[ . 1 . 2]" 1
1368 3 44 LEU H 3 44 LEU MD2 . . 4.410 2.874 1.877 3.744 . 0 0 "[ . 1 . 2]" 1
1369 3 44 LEU H 3 44 LEU HG . . 5.010 2.912 2.202 4.333 . 0 0 "[ . 1 . 2]" 1
1370 3 44 LEU H 3 50 GLN HA . . 4.890 2.698 2.396 3.499 . 0 0 "[ . 1 . 2]" 1
1371 3 44 LEU H 3 51 VAL H . . 5.470 3.841 3.423 4.475 . 0 0 "[ . 1 . 2]" 1
1372 3 44 LEU HA 3 44 LEU MD1 . . 4.730 3.258 2.040 3.889 . 0 0 "[ . 1 . 2]" 1
1373 3 44 LEU HA 3 44 LEU QD . . 3.580 2.048 1.997 2.101 . 0 0 "[ . 1 . 2]" 1
1374 3 44 LEU HA 3 44 LEU MD2 . . 4.730 2.319 2.004 2.944 . 0 0 "[ . 1 . 2]" 1
1375 3 44 LEU HB2 3 45 LYS H . . 5.500 3.912 3.507 4.538 . 0 0 "[ . 1 . 2]" 1
1376 3 44 LEU HB2 3 49 ARG H . . 3.450 3.334 2.681 3.542 0.092 8 0 "[ . 1 . 2]" 1
1377 3 44 LEU HB3 3 45 LYS H . . 4.790 2.876 2.387 4.151 . 0 0 "[ . 1 . 2]" 1
1378 3 44 LEU HB3 3 49 ARG H . . 4.670 4.479 2.121 4.761 0.091 3 0 "[ . 1 . 2]" 1
1379 3 44 LEU QD 3 45 LYS H . . 3.810 3.319 2.002 3.796 . 0 0 "[ . 1 . 2]" 1
1380 3 44 LEU QD 3 48 ASN QB . . 4.880 2.793 1.966 4.289 . 0 0 "[ . 1 . 2]" 1
1381 3 44 LEU QD 3 49 ARG H . . 4.540 2.966 2.189 3.837 . 0 0 "[ . 1 . 2]" 1
1382 3 44 LEU QD 3 49 ARG HA . . 5.440 4.618 4.328 5.320 . 0 0 "[ . 1 . 2]" 1
1383 3 44 LEU QD 3 49 ARG QB . . 4.600 4.226 3.609 4.736 0.136 14 0 "[ . 1 . 2]" 1
1384 3 44 LEU QD 3 49 ARG QD . . 4.170 3.206 2.096 4.221 0.051 20 0 "[ . 1 . 2]" 1
1385 3 44 LEU QD 3 50 GLN HA . . 5.380 3.521 2.088 4.505 . 0 0 "[ . 1 . 2]" 1
1386 3 44 LEU QD 3 51 VAL H . . 5.440 3.511 2.286 4.579 . 0 0 "[ . 1 . 2]" 1
1387 3 44 LEU QD 3 51 VAL HB . . 4.510 4.021 3.661 4.720 0.210 16 0 "[ . 1 . 2]" 1
1388 3 44 LEU MD1 3 45 LYS H . . 4.610 4.105 2.016 4.668 0.058 3 0 "[ . 1 . 2]" 1
1389 3 44 LEU MD2 3 45 LYS H . . 4.610 3.830 3.291 4.691 0.081 19 0 "[ . 1 . 2]" 1
1390 3 44 LEU HG 3 49 ARG H . . 5.220 4.282 3.487 4.849 . 0 0 "[ . 1 . 2]" 1
1391 3 44 LEU HG 3 51 VAL QG . . 4.070 2.691 2.138 3.680 . 0 0 "[ . 1 . 2]" 1
1392 3 45 LYS H 3 45 LYS HD2 . . 4.010 4.019 2.470 4.265 0.255 16 0 "[ . 1 . 2]" 1
1393 3 45 LYS H 3 45 LYS HD3 . . 4.030 3.710 2.644 4.219 0.189 19 0 "[ . 1 . 2]" 1
1394 3 45 LYS H 3 45 LYS QE . . 5.500 4.477 3.240 5.555 0.055 19 0 "[ . 1 . 2]" 1
1395 3 45 LYS H 3 45 LYS HG2 . . 5.500 3.099 1.805 4.298 . 0 0 "[ . 1 . 2]" 1
1396 3 45 LYS H 3 45 LYS HG3 . . 4.130 2.411 1.710 4.220 0.090 18 0 "[ . 1 . 2]" 1
1397 3 45 LYS HA 3 45 LYS HD2 . . 4.980 4.200 2.218 4.775 . 0 0 "[ . 1 . 2]" 1
1398 3 45 LYS HA 3 45 LYS HD3 . . 5.400 4.471 2.343 5.414 0.014 3 0 "[ . 1 . 2]" 1
1399 3 45 LYS HA 3 45 LYS QE . . 4.740 4.189 3.196 4.831 0.091 11 0 "[ . 1 . 2]" 1
1400 3 48 ASN HA 3 48 ASN HD21 . . 4.570 3.395 1.771 4.438 . 0 0 "[ . 1 . 2]" 1
1401 3 48 ASN HA 3 48 ASN QD . . 3.960 3.194 1.765 4.024 0.064 16 0 "[ . 1 . 2]" 1
1402 3 48 ASN HA 3 48 ASN HD22 . . 4.570 4.161 3.385 4.605 0.035 16 0 "[ . 1 . 2]" 1
1403 3 48 ASN QB 3 49 ARG H . . 4.110 2.215 1.701 2.969 . 0 0 "[ . 1 . 2]" 1
1404 3 48 ASN HB2 3 49 ARG H . . 4.820 3.267 1.860 3.822 . 0 0 "[ . 1 . 2]" 1
1405 3 48 ASN HB3 3 49 ARG H . . 4.820 2.388 1.707 3.813 . 0 0 "[ . 1 . 2]" 1
1406 3 49 ARG H 3 49 ARG HD2 . . 4.580 3.871 1.767 4.608 0.028 20 0 "[ . 1 . 2]" 1
1407 3 49 ARG H 3 49 ARG QD . . 4.000 3.367 1.762 4.093 0.093 17 0 "[ . 1 . 2]" 1
1408 3 49 ARG H 3 49 ARG HD3 . . 4.580 4.016 2.272 4.654 0.074 12 0 "[ . 1 . 2]" 1
1409 3 49 ARG H 3 49 ARG QG . . 3.730 2.427 1.766 3.608 . 0 0 "[ . 1 . 2]" 1
1410 3 49 ARG H 3 50 GLN H . . 4.790 4.366 4.141 4.578 . 0 0 "[ . 1 . 2]" 1
1411 3 49 ARG HA 3 49 ARG QD . . 4.230 4.067 3.661 4.383 0.153 1 0 "[ . 1 . 2]" 1
1412 3 49 ARG HA 3 50 GLN H . . 3.530 2.601 2.269 2.843 . 0 0 "[ . 1 . 2]" 1
1413 3 49 ARG QB 3 49 ARG QD . . 3.350 2.361 2.120 2.805 . 0 0 "[ . 1 . 2]" 1
1414 3 49 ARG QB 3 50 GLN H . . 4.030 2.060 1.776 2.331 . 0 0 "[ . 1 . 2]" 1
1415 3 49 ARG QD 3 50 GLN H . . 4.780 3.859 2.645 4.827 0.047 16 0 "[ . 1 . 2]" 1
1416 3 49 ARG HD2 3 50 GLN H . . 5.500 4.537 3.204 5.323 . 0 0 "[ . 1 . 2]" 1
1417 3 49 ARG HD3 3 50 GLN H . . 5.500 4.357 2.819 5.548 0.048 1 0 "[ . 1 . 2]" 1
1418 3 49 ARG QG 3 50 GLN H . . 4.050 3.464 2.580 4.148 0.098 3 0 "[ . 1 . 2]" 1
1419 3 49 ARG HG2 3 50 GLN H . . 4.920 4.236 2.627 4.625 . 0 0 "[ . 1 . 2]" 1
1420 3 49 ARG HG3 3 50 GLN H . . 4.920 3.820 2.958 4.711 . 0 0 "[ . 1 . 2]" 1
1421 3 50 GLN H 3 50 GLN HG2 . . 5.270 3.300 1.957 4.582 . 0 0 "[ . 1 . 2]" 1
1422 3 50 GLN H 3 50 GLN HG3 . . 5.270 3.564 2.152 4.729 . 0 0 "[ . 1 . 2]" 1
1423 3 50 GLN QB 3 51 VAL H . . 4.250 2.994 2.519 3.736 . 0 0 "[ . 1 . 2]" 1
1424 3 50 GLN HB2 3 51 VAL H . . 4.980 3.303 2.555 4.222 . 0 0 "[ . 1 . 2]" 1
1425 3 50 GLN HB3 3 51 VAL H . . 4.980 3.843 2.739 4.189 . 0 0 "[ . 1 . 2]" 1
1426 3 50 GLN QG 3 51 VAL H . . 5.340 3.849 2.637 4.691 . 0 0 "[ . 1 . 2]" 1
1427 3 51 VAL H 3 51 VAL QG . . 3.770 2.269 2.010 2.450 . 0 0 "[ . 1 . 2]" 1
1428 3 51 VAL HB 3 52 CYS H . . 4.370 2.495 2.284 2.855 . 0 0 "[ . 1 . 2]" 1
1429 3 51 VAL QG 3 52 CYS H . . 4.460 3.150 3.011 3.321 . 0 0 "[ . 1 . 2]" 1
1430 3 51 VAL QG 4 23 TYS HB2 . . 5.100 5.195 4.571 5.835 0.735 16 1 "[ . 1 .+ 2]" 1
1431 3 51 VAL QG 4 23 TYS HB3 . . 4.910 4.442 4.087 4.776 . 0 0 "[ . 1 . 2]" 1
1432 3 52 CYS HB2 3 53 ILE H . . 5.330 3.926 3.149 4.131 . 0 0 "[ . 1 . 2]" 1
1433 3 52 CYS HB3 3 53 ILE H . . 4.650 3.124 2.742 4.071 . 0 0 "[ . 1 . 2]" 1
1434 3 53 ILE H 3 53 ILE MD . . 3.770 3.041 1.684 3.882 0.112 6 0 "[ . 1 . 2]" 1
1435 3 53 ILE H 3 53 ILE QG . . 4.480 2.643 1.981 2.978 . 0 0 "[ . 1 . 2]" 1
1436 3 53 ILE H 3 53 ILE MG . . 4.130 3.570 3.067 3.854 . 0 0 "[ . 1 . 2]" 1
1437 3 53 ILE HA 3 53 ILE MD . . 4.600 2.949 2.039 4.046 . 0 0 "[ . 1 . 2]" 1
1438 3 53 ILE HA 3 57 LEU MD1 . . 5.500 3.578 3.087 4.117 . 0 0 "[ . 1 . 2]" 1
1439 3 53 ILE HB 3 54 ASP H . . 4.600 3.463 2.365 4.068 . 0 0 "[ . 1 . 2]" 1
1440 3 53 ILE HB 3 60 ILE QG . . 5.340 3.538 2.626 4.289 . 0 0 "[ . 1 . 2]" 1
1441 3 53 ILE MD 3 53 ILE MG . . 2.400 1.889 1.771 1.989 . 0 0 "[ . 1 . 2]" 1
1442 3 53 ILE MD 3 54 ASP H . . 5.040 4.269 3.466 4.851 . 0 0 "[ . 1 . 2]" 1
1443 3 53 ILE MD 3 59 TRP HH2 . . 4.770 3.022 2.022 4.499 . 0 0 "[ . 1 . 2]" 1
1444 3 53 ILE MD 3 59 TRP HZ2 . . 4.340 2.944 2.021 4.380 0.040 5 0 "[ . 1 . 2]" 1
1445 3 53 ILE MD 3 60 ILE QG . . 5.060 4.290 2.942 5.040 . 0 0 "[ . 1 . 2]" 1
1446 3 53 ILE QG 3 53 ILE MG . . 3.000 2.240 2.130 2.474 . 0 0 "[ . 1 . 2]" 1
1447 3 53 ILE QG 3 60 ILE QG . . 4.820 3.992 2.671 4.869 0.049 6 0 "[ . 1 . 2]" 1
1448 3 53 ILE HG12 3 53 ILE MG . . 3.500 2.958 2.279 3.194 . 0 0 "[ . 1 . 2]" 1
1449 3 53 ILE HG12 3 54 ASP H . . 5.170 4.647 3.874 5.131 . 0 0 "[ . 1 . 2]" 1
1450 3 53 ILE HG13 3 53 ILE MG . . 3.500 2.483 2.172 3.185 . 0 0 "[ . 1 . 2]" 1
1451 3 53 ILE HG13 3 54 ASP H . . 5.170 4.986 4.228 5.222 0.052 9 0 "[ . 1 . 2]" 1
1452 3 53 ILE MG 3 54 ASP H . . 3.990 2.647 2.132 3.405 . 0 0 "[ . 1 . 2]" 1
1453 3 53 ILE MG 3 59 TRP HZ2 . . 5.210 2.529 1.862 3.539 . 0 0 "[ . 1 . 2]" 1
1454 3 53 ILE MG 3 60 ILE QG . . 3.530 2.767 2.073 3.670 0.140 1 0 "[ . 1 . 2]" 1
1455 3 54 ASP H 3 54 ASP HB2 . . 4.130 2.471 2.226 2.706 . 0 0 "[ . 1 . 2]" 1
1456 3 54 ASP H 3 54 ASP QB . . 3.600 2.225 2.087 2.397 . 0 0 "[ . 1 . 2]" 1
1457 3 54 ASP H 3 54 ASP HB3 . . 4.130 2.540 2.319 2.726 . 0 0 "[ . 1 . 2]" 1
1458 3 54 ASP H 3 57 LEU H . . 5.090 4.926 4.483 5.183 0.093 8 0 "[ . 1 . 2]" 1
1459 3 54 ASP H 3 57 LEU MD1 . . 4.270 2.728 1.996 3.477 . 0 0 "[ . 1 . 2]" 1
1460 3 54 ASP H 3 57 LEU HG . . 4.820 3.873 3.078 4.506 . 0 0 "[ . 1 . 2]" 1
1461 3 54 ASP HA 3 56 LYS H . . 5.500 3.687 3.370 3.961 . 0 0 "[ . 1 . 2]" 1
1462 3 54 ASP QB 3 57 LEU MD1 . . 4.620 2.936 2.496 3.854 . 0 0 "[ . 1 . 2]" 1
1463 3 54 ASP QB 3 57 LEU MD2 . . 4.850 3.687 2.472 4.452 . 0 0 "[ . 1 . 2]" 1
1464 3 54 ASP QB 3 57 LEU HG . . 4.650 2.500 1.806 3.326 . 0 0 "[ . 1 . 2]" 1
1465 3 54 ASP HB2 3 57 LEU H . . 5.050 4.869 4.483 5.114 0.064 15 0 "[ . 1 . 2]" 1
1466 3 54 ASP HB2 3 57 LEU MD1 . . 5.300 3.947 3.494 4.789 . 0 0 "[ . 1 . 2]" 1
1467 3 54 ASP HB2 3 57 LEU MD2 . . 5.500 4.891 3.589 5.596 0.096 12 0 "[ . 1 . 2]" 1
1468 3 54 ASP HB2 3 57 LEU HG . . 5.500 3.942 3.492 4.363 . 0 0 "[ . 1 . 2]" 1
1469 3 54 ASP HB3 3 57 LEU H . . 5.050 3.262 2.817 3.632 . 0 0 "[ . 1 . 2]" 1
1470 3 54 ASP HB3 3 57 LEU MD1 . . 5.300 3.037 2.543 4.062 . 0 0 "[ . 1 . 2]" 1
1471 3 54 ASP HB3 3 57 LEU MD2 . . 5.500 3.819 2.519 4.674 . 0 0 "[ . 1 . 2]" 1
1472 3 54 ASP HB3 3 57 LEU HG . . 5.500 2.541 1.812 3.449 . 0 0 "[ . 1 . 2]" 1
1473 3 55 PRO HA 3 57 LEU H . . 5.500 3.731 3.510 3.876 . 0 0 "[ . 1 . 2]" 1
1474 3 55 PRO HA 3 60 ILE HB . . 5.500 3.854 3.318 4.265 . 0 0 "[ . 1 . 2]" 1
1475 3 55 PRO HA 3 60 ILE MD . . 4.060 3.842 3.414 4.102 0.042 5 0 "[ . 1 . 2]" 1
1476 3 55 PRO HA 3 60 ILE QG . . 5.090 3.124 2.427 3.667 . 0 0 "[ . 1 . 2]" 1
1477 3 55 PRO HA 3 60 ILE MG . . 4.130 2.040 1.812 2.347 . 0 0 "[ . 1 . 2]" 1
1478 3 55 PRO HB2 3 60 ILE MG . . 5.500 3.810 3.254 4.218 . 0 0 "[ . 1 . 2]" 1
1479 3 55 PRO HB3 3 60 ILE MG . . 5.280 3.682 3.149 3.960 . 0 0 "[ . 1 . 2]" 1
1480 3 55 PRO QD 3 56 LYS H . . 4.740 2.941 2.638 3.188 . 0 0 "[ . 1 . 2]" 1
1481 3 55 PRO HG2 3 56 LYS H . . 3.760 3.448 2.870 3.791 0.031 8 0 "[ . 1 . 2]" 1
1482 3 55 PRO HG3 3 56 LYS H . . 4.960 4.646 4.312 4.947 . 0 0 "[ . 1 . 2]" 1
1483 3 56 LYS H 3 56 LYS HB2 . . 4.110 2.453 2.273 2.631 . 0 0 "[ . 1 . 2]" 1
1484 3 56 LYS H 3 56 LYS QB . . 3.340 2.415 2.249 2.581 . 0 0 "[ . 1 . 2]" 1
1485 3 56 LYS H 3 56 LYS HB3 . . 4.110 3.632 3.534 3.738 . 0 0 "[ . 1 . 2]" 1
1486 3 56 LYS H 3 56 LYS QD . . 4.590 4.365 3.486 4.673 0.083 10 0 "[ . 1 . 2]" 1
1487 3 56 LYS H 3 56 LYS QE . . 4.600 3.868 3.027 4.712 0.112 14 0 "[ . 1 . 2]" 1
1488 3 56 LYS H 3 56 LYS HG2 . . 3.850 3.793 3.366 3.918 0.068 8 0 "[ . 1 . 2]" 1
1489 3 56 LYS H 3 56 LYS HG3 . . 3.850 2.640 2.363 2.871 . 0 0 "[ . 1 . 2]" 1
1490 3 56 LYS H 3 57 LEU H . . 3.640 2.272 1.953 2.939 . 0 0 "[ . 1 . 2]" 1
1491 3 56 LYS H 3 60 ILE HB . . 5.500 4.639 4.296 5.184 . 0 0 "[ . 1 . 2]" 1
1492 3 56 LYS H 3 60 ILE MG . . 4.760 4.231 3.956 4.655 . 0 0 "[ . 1 . 2]" 1
1493 3 56 LYS HA 3 56 LYS QE . . 5.500 4.546 3.586 4.990 . 0 0 "[ . 1 . 2]" 1
1494 3 56 LYS HA 3 61 GLN HE21 . . 4.770 2.812 1.959 3.932 . 0 0 "[ . 1 . 2]" 1
1495 3 56 LYS HA 3 61 GLN HE22 . . 4.260 2.445 1.631 3.335 . 0 0 "[ . 1 . 2]" 1
1496 3 56 LYS HA 3 61 GLN QG . . 4.810 3.719 3.075 4.538 . 0 0 "[ . 1 . 2]" 1
1497 3 56 LYS QB 3 56 LYS QD . . 2.880 2.338 2.173 2.489 . 0 0 "[ . 1 . 2]" 1
1498 3 56 LYS QB 3 56 LYS QE . . 2.970 2.254 1.882 2.963 . 0 0 "[ . 1 . 2]" 1
1499 3 56 LYS HB2 3 56 LYS QD . . 3.320 2.832 2.425 3.082 . 0 0 "[ . 1 . 2]" 1
1500 3 56 LYS HB2 3 56 LYS QE . . 3.560 2.389 1.903 3.096 . 0 0 "[ . 1 . 2]" 1
1501 3 56 LYS HB3 3 56 LYS QD . . 3.320 2.526 2.267 3.116 . 0 0 "[ . 1 . 2]" 1
1502 3 56 LYS HB3 3 56 LYS QE . . 3.560 3.103 1.964 3.782 0.222 2 0 "[ . 1 . 2]" 1
1503 3 56 LYS QE 3 56 LYS HG2 . . 3.900 3.289 2.177 3.543 . 0 0 "[ . 1 . 2]" 1
1504 3 56 LYS QE 3 56 LYS QG . . 3.280 2.436 2.143 2.900 . 0 0 "[ . 1 . 2]" 1
1505 3 56 LYS QE 3 56 LYS HG3 . . 3.900 2.602 2.291 3.296 . 0 0 "[ . 1 . 2]" 1
1506 3 57 LEU H 3 57 LEU HB2 . . 3.900 2.138 1.928 2.338 . 0 0 "[ . 1 . 2]" 1
1507 3 57 LEU H 3 57 LEU HB3 . . 3.400 3.068 2.508 3.520 0.120 1 0 "[ . 1 . 2]" 1
1508 3 57 LEU H 3 57 LEU MD1 . . 4.860 3.783 3.448 4.125 . 0 0 "[ . 1 . 2]" 1
1509 3 57 LEU H 3 57 LEU HG . . 3.820 3.291 2.263 4.102 0.282 12 0 "[ . 1 . 2]" 1
1510 3 57 LEU H 3 60 ILE HB . . 3.940 2.934 2.621 3.290 . 0 0 "[ . 1 . 2]" 1
1511 3 57 LEU H 3 60 ILE MD . . 5.240 4.851 4.709 5.009 . 0 0 "[ . 1 . 2]" 1
1512 3 57 LEU H 3 60 ILE QG . . 4.250 3.265 3.105 3.421 . 0 0 "[ . 1 . 2]" 1
1513 3 57 LEU H 3 60 ILE MG . . 5.050 3.647 3.312 4.167 . 0 0 "[ . 1 . 2]" 1
1514 3 57 LEU HA 3 57 LEU MD2 . . 3.970 2.244 1.880 2.686 . 0 0 "[ . 1 . 2]" 1
1515 3 57 LEU HA 3 60 ILE H . . 5.500 4.683 4.415 5.538 0.038 4 0 "[ . 1 . 2]" 1
1516 3 57 LEU HA 3 60 ILE QG . . 5.340 4.621 4.464 5.039 . 0 0 "[ . 1 . 2]" 1
1517 3 57 LEU HB2 3 60 ILE H . . 4.950 3.624 2.559 4.367 . 0 0 "[ . 1 . 2]" 1
1518 3 57 LEU HB2 3 60 ILE HB . . 5.500 3.079 2.374 3.571 . 0 0 "[ . 1 . 2]" 1
1519 3 57 LEU HB2 3 60 ILE QG . . 4.620 2.445 1.955 2.978 . 0 0 "[ . 1 . 2]" 1
1520 3 57 LEU HB3 3 58 LYS H . . 5.500 3.099 1.698 3.915 . 0 0 "[ . 1 . 2]" 1
1521 3 57 LEU HB3 3 60 ILE H . . 4.600 2.747 2.434 3.185 . 0 0 "[ . 1 . 2]" 1
1522 3 57 LEU HB3 3 60 ILE HB . . 5.500 3.142 2.224 4.091 . 0 0 "[ . 1 . 2]" 1
1523 3 57 LEU HB3 3 60 ILE MD . . 5.490 4.199 3.594 4.807 . 0 0 "[ . 1 . 2]" 1
1524 3 57 LEU HB3 3 60 ILE QG . . 4.440 2.553 1.911 3.261 . 0 0 "[ . 1 . 2]" 1
1525 3 57 LEU MD1 3 59 TRP HD1 . . 5.320 3.599 3.187 4.040 . 0 0 "[ . 1 . 2]" 1
1526 3 57 LEU MD1 3 59 TRP HE1 . . 3.980 2.239 1.783 2.944 . 0 0 "[ . 1 . 2]" 1
1527 3 57 LEU MD1 3 59 TRP HZ2 . . 4.310 3.024 2.627 3.724 . 0 0 "[ . 1 . 2]" 1
1528 3 57 LEU MD1 3 60 ILE H . . 5.500 3.886 3.207 4.389 . 0 0 "[ . 1 . 2]" 1
1529 3 57 LEU MD1 3 60 ILE QG . . 4.100 2.507 2.226 2.866 . 0 0 "[ . 1 . 2]" 1
1530 3 57 LEU MD2 3 58 LYS H . . 5.500 2.464 1.711 3.265 . 0 0 "[ . 1 . 2]" 1
1531 3 57 LEU MD2 3 59 TRP HD1 . . 3.660 2.989 2.250 3.731 0.071 1 0 "[ . 1 . 2]" 1
1532 3 57 LEU MD2 3 59 TRP HE1 . . 3.980 3.060 2.625 3.486 . 0 0 "[ . 1 . 2]" 1
1533 3 57 LEU MD2 3 59 TRP HZ2 . . 5.170 4.859 4.213 5.269 0.099 19 0 "[ . 1 . 2]" 1
1534 3 57 LEU MD2 3 60 ILE H . . 5.500 3.858 2.660 4.885 . 0 0 "[ . 1 . 2]" 1
1535 3 57 LEU MD2 3 60 ILE QG . . 4.390 3.829 3.132 4.399 0.009 15 0 "[ . 1 . 2]" 1
1536 3 57 LEU HG 3 60 ILE HB . . 5.500 5.062 4.340 5.567 0.067 4 0 "[ . 1 . 2]" 1
1537 3 57 LEU HG 3 60 ILE QG . . 5.340 4.080 3.476 4.631 . 0 0 "[ . 1 . 2]" 1
1538 3 58 LYS HA 3 58 LYS HD2 . . 4.510 3.881 2.109 4.652 0.142 17 0 "[ . 1 . 2]" 1
1539 3 58 LYS HA 3 58 LYS HD3 . . 4.510 3.884 2.484 4.594 0.084 13 0 "[ . 1 . 2]" 1
1540 3 58 LYS HA 3 58 LYS QE . . 5.500 4.423 2.442 5.071 . 0 0 "[ . 1 . 2]" 1
1541 3 58 LYS HA 3 61 GLN H . . 4.500 3.423 2.968 3.828 . 0 0 "[ . 1 . 2]" 1
1542 3 58 LYS HA 3 61 GLN QG . . 4.780 2.380 1.944 3.546 . 0 0 "[ . 1 . 2]" 1
1543 3 58 LYS HA 3 62 GLU H . . 5.130 4.174 3.811 4.793 . 0 0 "[ . 1 . 2]" 1
1544 3 58 LYS QB 3 58 LYS HD2 . . 3.660 2.927 2.354 3.554 . 0 0 "[ . 1 . 2]" 1
1545 3 58 LYS QB 3 58 LYS HD3 . . 3.660 2.456 2.205 3.069 . 0 0 "[ . 1 . 2]" 1
1546 3 58 LYS QB 3 59 TRP H . . 5.000 2.487 1.920 2.919 . 0 0 "[ . 1 . 2]" 1
1547 3 58 LYS QD 3 59 TRP H . . 5.340 4.472 2.970 5.344 0.004 14 0 "[ . 1 . 2]" 1
1548 3 58 LYS QD 3 62 GLU HG2 . . 4.920 4.149 2.035 5.068 0.148 15 0 "[ . 1 . 2]" 1
1549 3 58 LYS QG 3 59 TRP H . . 5.340 3.421 2.707 4.136 . 0 0 "[ . 1 . 2]" 1
1550 3 58 LYS QG 3 62 GLU HG2 . . 4.670 3.147 2.305 3.899 . 0 0 "[ . 1 . 2]" 1
1551 3 58 LYS HG2 3 62 GLU HG3 . . 5.060 4.120 2.889 5.146 0.086 18 0 "[ . 1 . 2]" 1
1552 3 58 LYS HG3 3 62 GLU HG3 . . 5.060 4.396 3.266 5.119 0.059 2 0 "[ . 1 . 2]" 1
1553 3 59 TRP H 3 59 TRP HE1 . . 4.630 4.522 4.318 4.679 0.049 16 0 "[ . 1 . 2]" 1
1554 3 59 TRP H 3 60 ILE H . . 4.840 2.604 2.513 2.754 . 0 0 "[ . 1 . 2]" 1
1555 3 59 TRP HA 3 62 GLU H . . 4.620 3.182 2.890 3.859 . 0 0 "[ . 1 . 2]" 1
1556 3 59 TRP HA 3 62 GLU HB2 . . 5.060 2.612 2.122 4.543 . 0 0 "[ . 1 . 2]" 1
1557 3 59 TRP HA 3 62 GLU HB3 . . 5.500 4.131 3.581 5.180 . 0 0 "[ . 1 . 2]" 1
1558 3 59 TRP HA 3 62 GLU HG2 . . 5.500 3.072 1.916 3.702 . 0 0 "[ . 1 . 2]" 1
1559 3 59 TRP HA 3 62 GLU HG3 . . 5.500 3.219 2.580 4.214 . 0 0 "[ . 1 . 2]" 1
1560 3 59 TRP HA 3 63 TYR H . . 5.500 3.799 3.517 4.185 . 0 0 "[ . 1 . 2]" 1
1561 3 59 TRP HB3 3 59 TRP HD1 . . 3.860 2.707 2.591 2.800 . 0 0 "[ . 1 . 2]" 1
1562 3 59 TRP HE3 3 60 ILE MD . . 5.460 3.071 2.896 3.219 . 0 0 "[ . 1 . 2]" 1
1563 3 59 TRP HZ2 3 60 ILE QG . . 4.770 4.197 3.899 4.621 . 0 0 "[ . 1 . 2]" 1
1564 3 60 ILE H 3 60 ILE HB . . 3.960 2.459 2.369 2.516 . 0 0 "[ . 1 . 2]" 1
1565 3 60 ILE H 3 60 ILE MD . . 4.720 3.462 3.337 3.616 . 0 0 "[ . 1 . 2]" 1
1566 3 60 ILE H 3 60 ILE HG12 . . 4.390 2.384 2.183 2.492 . 0 0 "[ . 1 . 2]" 1
1567 3 60 ILE H 3 60 ILE QG . . 3.700 2.358 2.166 2.462 . 0 0 "[ . 1 . 2]" 1
1568 3 60 ILE H 3 60 ILE HG13 . . 4.390 3.745 3.603 3.851 . 0 0 "[ . 1 . 2]" 1
1569 3 60 ILE H 3 60 ILE MG . . 4.170 3.768 3.723 3.804 . 0 0 "[ . 1 . 2]" 1
1570 3 60 ILE H 3 61 GLN H . . 3.940 2.571 2.433 2.728 . 0 0 "[ . 1 . 2]" 1
1571 3 60 ILE H 3 62 GLU H . . 5.260 4.118 3.876 4.549 . 0 0 "[ . 1 . 2]" 1
1572 3 60 ILE HA 3 60 ILE MD . . 4.010 2.021 1.956 2.130 . 0 0 "[ . 1 . 2]" 1
1573 3 60 ILE HA 3 63 TYR QD . . 5.500 4.218 3.807 4.692 . 0 0 "[ . 1 . 2]" 1
1574 3 60 ILE HB 3 61 GLN H . . 4.130 2.578 2.379 2.903 . 0 0 "[ . 1 . 2]" 1
1575 3 60 ILE HB 3 64 LEU MD1 . . 4.630 4.456 4.165 4.637 0.007 19 0 "[ . 1 . 2]" 1
1576 3 60 ILE MD 3 64 LEU H . . 5.470 4.883 4.664 5.272 . 0 0 "[ . 1 . 2]" 1
1577 3 60 ILE QG 3 61 GLN H . . 4.570 4.071 3.888 4.245 . 0 0 "[ . 1 . 2]" 1
1578 3 60 ILE MG 3 61 GLN H . . 4.330 3.269 2.995 3.515 . 0 0 "[ . 1 . 2]" 1
1579 3 60 ILE MG 3 61 GLN QG . . 5.500 4.152 3.914 4.494 . 0 0 "[ . 1 . 2]" 1
1580 3 60 ILE MG 3 63 TYR H . . 5.030 4.597 4.299 4.858 . 0 0 "[ . 1 . 2]" 1
1581 3 60 ILE MG 3 64 LEU H . . 5.400 3.738 3.516 3.953 . 0 0 "[ . 1 . 2]" 1
1582 3 61 GLN H 3 61 GLN QB . . 3.500 2.570 2.172 2.751 . 0 0 "[ . 1 . 2]" 1
1583 3 61 GLN H 3 61 GLN HE21 . . 5.500 3.324 2.623 4.750 . 0 0 "[ . 1 . 2]" 1
1584 3 61 GLN H 3 61 GLN HE22 . . 4.560 4.492 3.935 4.657 0.097 10 0 "[ . 1 . 2]" 1
1585 3 61 GLN H 3 61 GLN QG . . 3.670 2.118 1.922 3.405 . 0 0 "[ . 1 . 2]" 1
1586 3 61 GLN H 3 62 GLU H . . 4.030 2.769 2.600 2.943 . 0 0 "[ . 1 . 2]" 1
1587 3 61 GLN HA 3 61 GLN HE22 . . 5.460 3.484 3.203 4.003 . 0 0 "[ . 1 . 2]" 1
1588 3 61 GLN HA 3 64 LEU H . . 4.680 3.955 3.580 4.307 . 0 0 "[ . 1 . 2]" 1
1589 3 61 GLN HA 3 64 LEU MD1 . . 4.470 3.259 2.251 3.828 . 0 0 "[ . 1 . 2]" 1
1590 3 61 GLN HA 3 65 GLU H . . 4.680 4.071 3.573 4.344 . 0 0 "[ . 1 . 2]" 1
1591 3 61 GLN QB 3 61 GLN HE22 . . 4.160 4.060 3.866 4.305 0.145 4 0 "[ . 1 . 2]" 1
1592 3 61 GLN HB2 3 62 GLU H . . 5.280 2.293 2.051 2.588 . 0 0 "[ . 1 . 2]" 1
1593 3 61 GLN HB3 3 62 GLU H . . 5.280 3.471 3.080 3.725 . 0 0 "[ . 1 . 2]" 1
1594 3 61 GLN HE21 3 64 LEU MD1 . . 4.750 3.953 3.332 4.777 0.027 10 0 "[ . 1 . 2]" 1
1595 3 61 GLN HE22 3 64 LEU MD1 . . 4.180 3.929 3.395 4.215 0.035 15 0 "[ . 1 . 2]" 1
1596 3 61 GLN QG 3 62 GLU H . . 5.140 3.754 3.451 4.333 . 0 0 "[ . 1 . 2]" 1
1597 3 62 GLU H 3 62 GLU HB2 . . 3.840 2.468 2.179 3.556 . 0 0 "[ . 1 . 2]" 1
1598 3 62 GLU H 3 62 GLU HB3 . . 3.480 3.501 3.095 3.546 0.066 8 0 "[ . 1 . 2]" 1
1599 3 62 GLU H 3 62 GLU HG2 . . 3.910 2.243 2.010 2.786 . 0 0 "[ . 1 . 2]" 1
1600 3 62 GLU H 3 62 GLU HG3 . . 4.370 3.593 3.469 3.779 . 0 0 "[ . 1 . 2]" 1
1601 3 62 GLU H 3 63 TYR H . . 4.070 2.662 2.465 2.826 . 0 0 "[ . 1 . 2]" 1
1602 3 62 GLU HA 3 65 GLU H . . 4.940 3.885 3.538 4.242 . 0 0 "[ . 1 . 2]" 1
1603 3 62 GLU HA 3 65 GLU HB2 . . 4.460 3.072 2.218 4.203 . 0 0 "[ . 1 . 2]" 1
1604 3 62 GLU HA 3 65 GLU HB3 . . 4.400 3.981 2.585 4.482 0.082 7 0 "[ . 1 . 2]" 1
1605 3 62 GLU HB2 3 63 TYR H . . 4.440 2.549 2.271 3.507 . 0 0 "[ . 1 . 2]" 1
1606 3 62 GLU HB3 3 62 GLU HG3 . . 2.610 2.458 2.385 2.605 . 0 0 "[ . 1 . 2]" 1
1607 3 62 GLU HB3 3 63 TYR H . . 4.260 3.527 3.013 4.299 0.039 15 0 "[ . 1 . 2]" 1
1608 3 62 GLU HG2 3 63 TYR H . . 5.130 4.181 2.803 4.658 . 0 0 "[ . 1 . 2]" 1
1609 3 62 GLU HG3 3 63 TYR H . . 4.900 4.775 4.242 4.955 0.055 14 0 "[ . 1 . 2]" 1
1610 3 63 TYR H 3 63 TYR HB2 . . 3.870 2.354 2.142 2.562 . 0 0 "[ . 1 . 2]" 1
1611 3 63 TYR H 3 63 TYR HB3 . . 3.970 2.651 2.482 2.769 . 0 0 "[ . 1 . 2]" 1
1612 3 63 TYR H 3 63 TYR QD . . 4.710 4.113 3.951 4.219 . 0 0 "[ . 1 . 2]" 1
1613 3 63 TYR H 3 64 LEU H . . 4.080 2.759 2.621 2.917 . 0 0 "[ . 1 . 2]" 1
1614 3 63 TYR H 3 66 LYS HG2 . . 5.500 4.593 3.969 5.379 . 0 0 "[ . 1 . 2]" 1
1615 3 63 TYR HA 3 63 TYR QD . . 3.940 2.952 2.743 3.137 . 0 0 "[ . 1 . 2]" 1
1616 3 63 TYR HB2 3 64 LEU H . . 4.390 3.653 3.391 3.909 . 0 0 "[ . 1 . 2]" 1
1617 3 63 TYR HB3 3 64 LEU H . . 4.690 2.377 2.154 2.691 . 0 0 "[ . 1 . 2]" 1
1618 3 63 TYR QD 3 64 LEU HG . . 4.430 3.886 3.196 4.445 0.015 10 0 "[ . 1 . 2]" 1
1619 3 63 TYR QE 3 67 CYS HB2 . . 4.650 4.353 3.758 4.714 0.064 14 0 "[ . 1 . 2]" 1
1620 3 64 LEU H 3 64 LEU MD1 . . 3.960 3.654 3.553 3.760 . 0 0 "[ . 1 . 2]" 1
1621 3 64 LEU H 3 64 LEU MD2 . . 3.980 3.130 3.046 3.277 . 0 0 "[ . 1 . 2]" 1
1622 3 64 LEU H 3 64 LEU HG . . 3.720 2.172 2.106 2.267 . 0 0 "[ . 1 . 2]" 1
1623 3 64 LEU H 3 65 GLU H . . 4.070 2.723 2.526 2.855 . 0 0 "[ . 1 . 2]" 1
1624 3 64 LEU HA 3 64 LEU MD1 . . 4.080 3.868 3.846 3.903 . 0 0 "[ . 1 . 2]" 1
1625 3 64 LEU HA 3 64 LEU MD2 . . 3.680 2.096 2.058 2.136 . 0 0 "[ . 1 . 2]" 1
1626 3 64 LEU HA 3 67 CYS H . . 4.200 3.690 3.374 4.102 . 0 0 "[ . 1 . 2]" 1
1627 3 64 LEU HA 3 68 LEU H . . 5.500 4.325 3.958 5.031 . 0 0 "[ . 1 . 2]" 1
1628 3 64 LEU HB2 3 64 LEU MD2 . . 3.620 3.205 3.185 3.218 . 0 0 "[ . 1 . 2]" 1
1629 3 64 LEU HB2 3 65 GLU H . . 5.320 2.332 2.258 2.431 . 0 0 "[ . 1 . 2]" 1
1630 3 64 LEU HB3 3 65 GLU H . . 4.820 3.480 3.395 3.587 . 0 0 "[ . 1 . 2]" 1
1631 3 64 LEU MD1 3 65 GLU H . . 4.330 4.297 4.189 4.351 0.021 19 0 "[ . 1 . 2]" 1
1632 3 64 LEU HG 3 65 GLU H . . 4.030 4.090 4.049 4.129 0.099 19 0 "[ . 1 . 2]" 1
1633 3 65 GLU H 3 65 GLU HB2 . . 3.590 2.363 1.998 2.600 . 0 0 "[ . 1 . 2]" 1
1634 3 65 GLU H 3 65 GLU HB3 . . 3.960 3.341 2.407 3.677 . 0 0 "[ . 1 . 2]" 1
1635 3 65 GLU H 3 65 GLU HG2 . . 4.130 3.368 2.284 4.199 0.069 2 0 "[ . 1 . 2]" 1
1636 3 65 GLU H 3 65 GLU HG3 . . 4.220 3.194 2.257 4.303 0.083 1 0 "[ . 1 . 2]" 1
1637 3 65 GLU H 3 66 LYS H . . 4.030 2.913 2.695 3.041 . 0 0 "[ . 1 . 2]" 1
1638 3 65 GLU HA 3 65 GLU HG3 . . 4.200 3.408 3.003 3.734 . 0 0 "[ . 1 . 2]" 1
1639 3 65 GLU HA 3 68 LEU H . . 4.470 3.623 3.120 4.297 . 0 0 "[ . 1 . 2]" 1
1640 3 65 GLU HB2 3 66 LYS H . . 4.140 3.138 2.661 3.967 . 0 0 "[ . 1 . 2]" 1
1641 3 65 GLU HB3 3 66 LYS H . . 4.110 3.408 2.632 3.865 . 0 0 "[ . 1 . 2]" 1
1642 3 65 GLU HG2 3 66 LYS H . . 5.200 4.999 4.558 5.220 0.020 6 0 "[ . 1 . 2]" 1
1643 3 65 GLU HG3 3 66 LYS H . . 5.180 4.867 4.435 5.214 0.034 13 0 "[ . 1 . 2]" 1
1644 3 66 LYS H 3 66 LYS HB2 . . 3.650 3.383 2.560 3.706 0.056 4 0 "[ . 1 . 2]" 1
1645 3 66 LYS H 3 66 LYS HB3 . . 3.630 2.978 2.481 3.669 0.039 20 0 "[ . 1 . 2]" 1
1646 3 66 LYS H 3 66 LYS QD . . 4.750 3.738 2.909 4.240 . 0 0 "[ . 1 . 2]" 1
1647 3 66 LYS H 3 66 LYS QE . . 5.100 4.213 2.603 5.213 0.113 13 0 "[ . 1 . 2]" 1
1648 3 66 LYS H 3 66 LYS HG2 . . 3.810 2.640 2.028 3.696 . 0 0 "[ . 1 . 2]" 1
1649 3 66 LYS H 3 66 LYS HG3 . . 3.960 3.089 2.037 3.755 . 0 0 "[ . 1 . 2]" 1
1650 3 66 LYS H 3 67 CYS H . . 3.290 2.511 2.322 2.760 . 0 0 "[ . 1 . 2]" 1
1651 3 66 LYS HA 3 66 LYS QD . . 3.910 3.557 2.008 4.200 0.290 14 0 "[ . 1 . 2]" 1
1652 3 66 LYS HA 3 66 LYS QE . . 5.500 4.097 1.782 5.614 0.114 16 0 "[ . 1 . 2]" 1
1653 3 66 LYS HA 3 69 ASN H . . 5.500 3.768 3.335 4.528 . 0 0 "[ . 1 . 2]" 1
1654 3 66 LYS HB2 3 66 LYS QD . . 3.710 2.724 2.032 3.529 . 0 0 "[ . 1 . 2]" 1
1655 3 66 LYS HB2 3 67 CYS H . . 4.060 3.471 2.294 4.081 0.021 7 0 "[ . 1 . 2]" 1
1656 3 66 LYS HB3 3 66 LYS QD . . 3.740 2.817 2.143 3.572 . 0 0 "[ . 1 . 2]" 1
1657 3 66 LYS HB3 3 66 LYS QE . . 3.960 3.279 1.945 4.069 0.109 5 0 "[ . 1 . 2]" 1
1658 3 66 LYS HB3 3 67 CYS H . . 4.070 3.931 3.540 4.150 0.080 4 0 "[ . 1 . 2]" 1
1659 3 66 LYS QD 3 66 LYS HG2 . . 2.400 2.352 2.042 2.431 0.031 9 0 "[ . 1 . 2]" 1
1660 3 66 LYS QD 3 66 LYS HG3 . . 2.570 2.218 2.094 2.383 . 0 0 "[ . 1 . 2]" 1
1661 3 66 LYS QE 3 66 LYS HG2 . . 3.180 2.635 2.231 3.399 0.219 14 0 "[ . 1 . 2]" 1
1662 3 66 LYS QE 3 66 LYS HG3 . . 3.410 3.173 2.397 3.493 0.083 17 0 "[ . 1 . 2]" 1
1663 3 66 LYS HG2 3 67 CYS H . . 4.320 3.627 2.567 4.476 0.156 7 0 "[ . 1 . 2]" 1
1664 3 66 LYS HG3 3 67 CYS H . . 4.390 3.269 2.323 4.567 0.177 15 0 "[ . 1 . 2]" 1
1665 3 67 CYS H 3 67 CYS HB2 . . 3.850 2.614 2.397 2.936 . 0 0 "[ . 1 . 2]" 1
1666 3 67 CYS H 3 67 CYS HB3 . . 3.820 2.982 2.407 3.790 . 0 0 "[ . 1 . 2]" 1
1667 3 67 CYS H 3 68 LEU H . . 3.690 2.559 2.177 2.848 . 0 0 "[ . 1 . 2]" 1
1668 3 67 CYS H 3 70 LYS QD . . 5.200 4.674 3.904 5.299 0.099 2 0 "[ . 1 . 2]" 1
1669 3 67 CYS H 3 70 LYS QG . . 4.610 4.569 3.740 4.804 0.194 2 0 "[ . 1 . 2]" 1
1670 3 67 CYS HB2 3 68 LEU H . . 4.460 3.731 2.825 4.275 . 0 0 "[ . 1 . 2]" 1
1671 3 67 CYS HB3 3 68 LEU H . . 4.670 3.405 2.750 4.191 . 0 0 "[ . 1 . 2]" 1
1672 3 68 LEU H 3 68 LEU HB2 . . 3.840 2.201 2.013 2.453 . 0 0 "[ . 1 . 2]" 1
1673 3 68 LEU H 3 68 LEU QB . . 3.250 2.086 1.967 2.415 . 0 0 "[ . 1 . 2]" 1
1674 3 68 LEU H 3 68 LEU HB3 . . 3.840 2.666 2.406 3.617 . 0 0 "[ . 1 . 2]" 1
1675 3 68 LEU H 3 68 LEU MD1 . . 4.160 4.135 3.519 4.252 0.092 18 0 "[ . 1 . 2]" 1
1676 3 68 LEU H 3 68 LEU QD . . 3.520 3.402 1.942 3.628 0.108 14 0 "[ . 1 . 2]" 1
1677 3 68 LEU H 3 68 LEU MD2 . . 4.160 3.681 1.951 4.181 0.021 20 0 "[ . 1 . 2]" 1
1678 3 68 LEU H 3 68 LEU HG . . 4.600 4.385 3.934 4.600 . 0 0 "[ . 1 . 2]" 1
1679 3 68 LEU H 3 69 ASN H . . 4.180 2.746 2.337 3.175 . 0 0 "[ . 1 . 2]" 1
1680 3 68 LEU HA 3 68 LEU MD1 . . 4.620 2.904 2.121 3.867 . 0 0 "[ . 1 . 2]" 1
1681 3 68 LEU HA 3 68 LEU QD . . 3.750 2.152 1.954 2.851 . 0 0 "[ . 1 . 2]" 1
1682 3 68 LEU HA 3 68 LEU MD2 . . 4.620 2.266 1.992 2.938 . 0 0 "[ . 1 . 2]" 1
1683 3 68 LEU QB 3 68 LEU QD . . 2.810 2.033 1.902 2.075 . 0 0 "[ . 1 . 2]" 1
1684 3 68 LEU HB2 3 69 ASN H . . 4.270 3.590 2.600 3.924 . 0 0 "[ . 1 . 2]" 1
1685 3 68 LEU HB3 3 69 ASN H . . 4.270 2.594 2.008 3.798 . 0 0 "[ . 1 . 2]" 1
1686 3 68 LEU QD 3 69 ASN H . . 4.030 3.460 2.770 3.957 . 0 0 "[ . 1 . 2]" 1
1687 3 69 ASN H 3 69 ASN HB2 . . 4.120 2.870 2.387 3.657 . 0 0 "[ . 1 . 2]" 1
1688 3 69 ASN H 3 69 ASN HB3 . . 4.120 3.282 2.446 3.892 . 0 0 "[ . 1 . 2]" 1
1689 3 69 ASN H 3 70 LYS H . . 4.390 2.264 1.750 2.766 . 0 0 "[ . 1 . 2]" 1
1690 3 69 ASN HA 3 69 ASN HD21 . . 4.060 2.867 1.776 3.895 . 0 0 "[ . 1 . 2]" 1
1691 3 69 ASN HA 3 69 ASN QD . . 3.540 2.767 1.770 3.587 0.047 3 0 "[ . 1 . 2]" 1
1692 3 69 ASN HA 3 69 ASN HD22 . . 4.060 3.863 3.406 4.195 0.135 3 0 "[ . 1 . 2]" 1
1693 3 69 ASN HA 3 70 LYS H . . 3.320 3.338 2.911 3.487 0.167 20 0 "[ . 1 . 2]" 1
1694 3 69 ASN QB 3 70 LYS H . . 3.790 2.835 1.941 3.764 . 0 0 "[ . 1 . 2]" 1
1695 3 69 ASN QB 3 70 LYS QB . . 4.910 4.487 3.419 4.951 0.041 18 0 "[ . 1 . 2]" 1
1696 3 69 ASN HB2 3 70 LYS H . . 4.490 3.572 2.018 4.475 . 0 0 "[ . 1 . 2]" 1
1697 3 69 ASN HB3 3 70 LYS H . . 4.490 3.257 1.952 4.383 . 0 0 "[ . 1 . 2]" 1
1698 3 70 LYS H 3 70 LYS HB2 . . 3.990 3.107 2.412 3.823 . 0 0 "[ . 1 . 2]" 1
1699 3 70 LYS H 3 70 LYS QB . . 3.240 2.803 2.109 3.313 0.073 16 0 "[ . 1 . 2]" 1
1700 3 70 LYS H 3 70 LYS HB3 . . 3.990 3.559 2.175 4.080 0.090 20 0 "[ . 1 . 2]" 1
1701 3 70 LYS H 3 70 LYS QD . . 5.230 4.090 3.079 4.888 . 0 0 "[ . 1 . 2]" 1
1702 3 70 LYS H 3 70 LYS QG . . 3.690 2.828 2.043 3.801 0.111 8 0 "[ . 1 . 2]" 1
1703 3 70 LYS HA 3 70 LYS QD . . 4.010 3.663 2.039 4.255 0.245 6 0 "[ . 1 . 2]" 1
1704 3 70 LYS HA 3 70 LYS QE . . 5.500 3.995 2.441 4.804 . 0 0 "[ . 1 . 2]" 1
1705 3 70 LYS HA 3 70 LYS QG . . 3.950 2.661 2.247 3.521 . 0 0 "[ . 1 . 2]" 1
1706 3 70 LYS QB 3 70 LYS QE . . 4.420 2.430 1.902 3.659 . 0 0 "[ . 1 . 2]" 1
1707 3 70 LYS HB2 3 70 LYS QE . . 5.070 3.140 1.923 4.269 . 0 0 "[ . 1 . 2]" 1
1708 3 70 LYS HB3 3 70 LYS QE . . 5.070 2.761 1.931 4.163 . 0 0 "[ . 1 . 2]" 1
1709 4 4 GLU H 4 4 GLU HB2 . . 4.080 2.809 2.424 3.586 . 0 0 "[ . 1 . 2]" 1
1710 4 4 GLU H 4 4 GLU QB . . 3.550 2.585 2.216 3.349 . 0 0 "[ . 1 . 2]" 1
1711 4 4 GLU H 4 4 GLU HB3 . . 4.080 3.336 2.410 4.083 0.003 13 0 "[ . 1 . 2]" 1
1712 4 4 GLU H 4 4 GLU QG . . 4.290 3.410 2.478 4.250 . 0 0 "[ . 1 . 2]" 1
1713 4 4 GLU HA 4 4 GLU QG . . 3.130 2.473 2.214 2.915 . 0 0 "[ . 1 . 2]" 1
1714 4 4 GLU HB2 4 4 GLU QG . . 2.420 2.340 2.169 2.405 . 0 0 "[ . 1 . 2]" 1
1715 4 4 GLU HB3 4 4 GLU QG . . 2.420 2.318 2.168 2.375 . 0 0 "[ . 1 . 2]" 1
1716 4 5 GLY H 4 6 ILE H . . 4.460 3.557 1.886 4.434 . 0 0 "[ . 1 . 2]" 1
1717 4 5 GLY QA 4 6 ILE H . . 3.040 2.380 2.103 2.929 . 0 0 "[ . 1 . 2]" 1
1718 4 6 ILE H 4 6 ILE HB . . 3.360 2.589 2.410 3.417 0.057 20 0 "[ . 1 . 2]" 1
1719 4 6 ILE H 4 6 ILE MD . . 3.860 3.542 2.539 3.877 0.017 1 0 "[ . 1 . 2]" 1
1720 4 6 ILE H 4 6 ILE HG12 . . 3.870 3.166 2.180 3.713 . 0 0 "[ . 1 . 2]" 1
1721 4 6 ILE H 4 6 ILE QG . . 3.310 2.228 1.962 2.515 . 0 0 "[ . 1 . 2]" 1
1722 4 6 ILE H 4 6 ILE HG13 . . 3.870 2.621 1.980 3.990 0.120 20 0 "[ . 1 . 2]" 1
1723 4 6 ILE H 4 6 ILE MG . . 3.790 3.795 3.738 3.856 0.066 20 0 "[ . 1 . 2]" 1
1724 4 6 ILE HA 4 6 ILE MD . . 4.440 3.412 2.022 3.902 . 0 0 "[ . 1 . 2]" 1
1725 4 6 ILE MD 4 6 ILE MG . . 2.400 1.958 1.907 2.046 . 0 0 "[ . 1 . 2]" 1
1726 4 6 ILE QG 4 6 ILE MG . . 2.970 2.329 2.277 2.376 . 0 0 "[ . 1 . 2]" 1
1727 4 6 ILE HG12 4 6 ILE MG . . 3.400 2.602 2.376 3.212 . 0 0 "[ . 1 . 2]" 1
1728 4 6 ILE HG13 4 6 ILE MG . . 3.400 2.998 2.331 3.219 . 0 0 "[ . 1 . 2]" 1
1729 4 7 SER HB2 4 8 ILE H . . 4.620 3.816 1.798 4.506 . 0 0 "[ . 1 . 2]" 1
1730 4 7 SER HB3 4 8 ILE H . . 4.620 3.747 2.263 4.445 . 0 0 "[ . 1 . 2]" 1
1731 4 8 ILE H 4 8 ILE HB . . 4.040 2.879 2.443 3.871 . 0 0 "[ . 1 . 2]" 1
1732 4 8 ILE H 4 8 ILE MD . . 4.210 3.155 1.612 4.241 0.031 20 0 "[ . 1 . 2]" 1
1733 4 8 ILE H 4 8 ILE HG12 . . 4.620 2.735 2.118 4.411 . 0 0 "[ . 1 . 2]" 1
1734 4 8 ILE H 4 8 ILE QG . . 3.970 2.608 2.072 3.917 . 0 0 "[ . 1 . 2]" 1
1735 4 8 ILE H 4 8 ILE HG13 . . 4.620 3.813 2.393 4.481 . 0 0 "[ . 1 . 2]" 1
1736 4 8 ILE H 4 8 ILE MG . . 4.210 3.503 1.941 4.046 . 0 0 "[ . 1 . 2]" 1
1737 4 8 ILE HA 4 8 ILE MD . . 3.640 2.582 2.022 3.973 0.333 14 0 "[ . 1 . 2]" 1
1738 4 8 ILE HA 4 8 ILE MG . . 3.620 2.451 2.279 3.232 . 0 0 "[ . 1 . 2]" 1
1739 4 8 ILE HA 4 9 TYS H . . 3.240 2.332 1.984 3.560 0.320 13 0 "[ . 1 . 2]" 1
1740 4 8 ILE HB 4 8 ILE MD . . 3.300 3.120 2.209 3.296 . 0 0 "[ . 1 . 2]" 1
1741 4 8 ILE HB 4 9 TYS H . . 4.090 3.547 1.847 4.394 0.304 3 0 "[ . 1 . 2]" 1
1742 4 8 ILE MD 4 8 ILE MG . . 2.400 1.998 1.761 2.114 . 0 0 "[ . 1 . 2]" 1
1743 4 8 ILE MD 4 9 TYS H . . 3.800 3.903 3.489 4.669 0.869 17 5 "[ * 1 *-* + 2]" 1
1744 4 8 ILE QG 4 8 ILE MG . . 3.000 2.311 2.269 2.350 . 0 0 "[ . 1 . 2]" 1
1745 4 8 ILE QG 4 9 TYS H . . 4.420 4.201 1.955 4.738 0.318 12 0 "[ . 1 . 2]" 1
1746 4 8 ILE HG12 4 9 TYS H . . 5.280 4.612 2.037 5.168 . 0 0 "[ . 1 . 2]" 1
1747 4 8 ILE HG13 4 9 TYS H . . 5.280 4.916 2.515 5.686 0.406 2 0 "[ . 1 . 2]" 1
1748 4 8 ILE MG 4 9 TYS H . . 3.800 2.927 1.930 3.740 . 0 0 "[ . 1 . 2]" 1
1749 4 9 TYS H 4 9 TYS HB2 . . 3.640 3.208 2.561 3.991 0.351 19 0 "[ . 1 . 2]" 1
1750 4 9 TYS H 4 9 TYS HB3 . . 3.710 3.463 2.654 4.006 0.296 13 0 "[ . 1 . 2]" 1
1751 4 10 THR H 4 10 THR MG . . 4.660 3.406 2.011 3.984 . 0 0 "[ . 1 . 2]" 1
1752 4 10 THR HA 4 10 THR MG . . 3.690 2.473 2.277 3.243 . 0 0 "[ . 1 . 2]" 1
1753 4 10 THR HB 4 11 SER H . . 5.040 3.965 1.994 4.476 . 0 0 "[ . 1 . 2]" 1
1754 4 12 ASP HB2 4 13 ASN H . . 5.050 3.471 1.963 4.587 . 0 0 "[ . 1 . 2]" 1
1755 4 12 ASP HB3 4 13 ASN H . . 5.050 3.887 2.931 4.558 . 0 0 "[ . 1 . 2]" 1
1756 4 13 ASN QB 4 14 TYS H . . 4.530 3.514 2.147 4.038 . 0 0 "[ . 1 . 2]" 1
1757 4 14 TYS H 4 14 TYS HB2 . . 3.970 3.146 2.516 4.051 0.081 12 0 "[ . 1 . 2]" 1
1758 4 14 TYS H 4 14 TYS HB3 . . 3.970 2.960 2.335 3.557 . 0 0 "[ . 1 . 2]" 1
1759 4 14 TYS HB2 4 15 THR H . . 4.250 3.655 1.663 4.446 0.196 20 0 "[ . 1 . 2]" 1
1760 4 14 TYS HB3 4 15 THR H . . 4.250 4.097 3.046 4.419 0.169 9 0 "[ . 1 . 2]" 1
1761 4 15 THR H 4 15 THR HB . . 3.850 3.269 2.575 3.713 . 0 0 "[ . 1 . 2]" 1
1762 4 15 THR H 4 15 THR MG . . 3.950 2.347 1.899 3.301 . 0 0 "[ . 1 . 2]" 1
1763 4 15 THR HA 4 15 THR HB . . 2.400 2.430 2.363 2.495 0.095 14 0 "[ . 1 . 2]" 1
1764 4 15 THR HA 4 15 THR MG . . 3.080 2.964 2.255 3.204 0.124 17 0 "[ . 1 . 2]" 1
1765 4 15 THR HA 4 16 GLU H . . 3.260 2.646 2.070 3.376 0.116 4 0 "[ . 1 . 2]" 1
1766 4 15 THR HB 4 16 GLU H . . 5.500 3.785 1.998 4.533 . 0 0 "[ . 1 . 2]" 1
1767 4 15 THR MG 4 16 GLU H . . 4.540 3.630 2.922 4.302 . 0 0 "[ . 1 . 2]" 1
1768 4 16 GLU H 4 16 GLU HB2 . . 4.090 2.897 2.336 3.666 . 0 0 "[ . 1 . 2]" 1
1769 4 16 GLU H 4 16 GLU HB3 . . 3.760 3.297 2.468 3.770 0.010 19 0 "[ . 1 . 2]" 1
1770 4 16 GLU H 4 16 GLU QG . . 4.040 2.989 1.926 4.161 0.121 5 0 "[ . 1 . 2]" 1
1771 4 16 GLU HA 4 16 GLU QG . . 3.300 2.764 2.330 3.355 0.055 16 0 "[ . 1 . 2]" 1
1772 4 16 GLU HA 4 17 GLU H . . 3.290 2.334 1.953 3.112 . 0 0 "[ . 1 . 2]" 1
1773 4 16 GLU HB2 4 16 GLU QG . . 2.400 2.269 2.136 2.393 . 0 0 "[ . 1 . 2]" 1
1774 4 16 GLU HB3 4 16 GLU QG . . 2.400 2.338 2.263 2.399 . 0 0 "[ . 1 . 2]" 1
1775 4 17 GLU H 4 17 GLU HB2 . . 3.750 2.824 2.432 3.783 0.033 2 0 "[ . 1 . 2]" 1
1776 4 17 GLU H 4 17 GLU QB . . 3.260 2.557 2.187 3.106 . 0 0 "[ . 1 . 2]" 1
1777 4 17 GLU H 4 17 GLU HB3 . . 3.750 3.396 2.380 3.807 0.057 3 0 "[ . 1 . 2]" 1
1778 4 17 GLU H 4 17 GLU QG . . 3.820 2.419 1.806 3.888 0.068 13 0 "[ . 1 . 2]" 1
1779 4 17 GLU HA 4 17 GLU QG . . 3.190 2.793 2.352 3.315 0.125 8 0 "[ . 1 . 2]" 1
1780 4 17 GLU HA 4 18 MET H . . 3.340 2.355 2.058 3.456 0.116 11 0 "[ . 1 . 2]" 1
1781 4 17 GLU HB2 4 17 GLU QG . . 2.400 2.292 2.153 2.380 . 0 0 "[ . 1 . 2]" 1
1782 4 17 GLU HB3 4 17 GLU QG . . 2.400 2.328 2.289 2.370 . 0 0 "[ . 1 . 2]" 1
1783 4 18 MET H 4 18 MET QB . . 3.410 2.610 2.231 3.406 . 0 0 "[ . 1 . 2]" 1
1784 4 18 MET H 4 18 MET QG . . 4.250 3.212 2.283 4.315 0.065 19 0 "[ . 1 . 2]" 1
1785 4 18 MET HA 4 18 MET QG . . 3.660 2.525 2.375 3.349 . 0 0 "[ . 1 . 2]" 1
1786 4 22 ASP QB 4 23 TYS H . . 4.270 2.719 1.957 3.775 . 0 0 "[ . 1 . 2]" 1
1787 4 22 ASP QB 4 25 SER QB . . 4.280 3.999 3.013 4.301 0.021 6 0 "[ . 1 . 2]" 1
1788 4 22 ASP HB2 4 23 TYS H . . 5.140 3.650 1.968 4.421 . 0 0 "[ . 1 . 2]" 1
1789 4 22 ASP HB2 4 25 SER HB2 . . 5.500 4.968 3.162 5.603 0.103 6 0 "[ . 1 . 2]" 1
1790 4 22 ASP HB2 4 25 SER HB3 . . 5.500 5.495 4.379 5.660 0.160 1 0 "[ . 1 . 2]" 1
1791 4 22 ASP HB3 4 23 TYS H . . 5.140 2.902 2.139 4.158 . 0 0 "[ . 1 . 2]" 1
1792 4 22 ASP HB3 4 25 SER HB2 . . 5.500 4.658 3.831 5.058 . 0 0 "[ . 1 . 2]" 1
1793 4 22 ASP HB3 4 25 SER HB3 . . 5.500 5.579 4.845 5.708 0.208 17 0 "[ . 1 . 2]" 1
1794 4 23 TYS H 4 24 ASP H . . 4.810 2.987 2.561 3.931 . 0 0 "[ . 1 . 2]" 1
1795 4 23 TYS HB2 4 24 ASP H . . 4.520 4.313 3.905 4.511 . 0 0 "[ . 1 . 2]" 1
1796 4 23 TYS HB3 4 24 ASP H . . 4.720 4.433 4.223 4.547 . 0 0 "[ . 1 . 2]" 1
1797 4 24 ASP H 4 24 ASP HB2 . . 4.030 3.466 3.034 3.634 . 0 0 "[ . 1 . 2]" 1
1798 4 24 ASP H 4 24 ASP HB3 . . 4.030 3.990 3.546 4.111 0.081 18 0 "[ . 1 . 2]" 1
1799 4 24 ASP QB 4 25 SER QB . . 4.290 4.189 4.043 4.306 0.016 15 0 "[ . 1 . 2]" 1
1800 4 24 ASP HB2 4 25 SER HB2 . . 5.500 5.319 4.895 5.726 0.226 16 0 "[ . 1 . 2]" 1
1801 4 24 ASP HB2 4 25 SER HB3 . . 5.500 5.395 5.152 5.632 0.132 13 0 "[ . 1 . 2]" 1
1802 4 24 ASP HB3 4 25 SER HB2 . . 5.500 5.429 4.667 5.657 0.157 17 0 "[ . 1 . 2]" 1
1803 4 24 ASP HB3 4 25 SER HB3 . . 5.500 5.128 4.829 5.386 . 0 0 "[ . 1 . 2]" 1
1804 4 26 MET HA 4 26 MET HG2 . . 4.240 2.808 2.400 3.780 . 0 0 "[ . 1 . 2]" 1
1805 4 26 MET HA 4 26 MET QG . . 3.670 2.528 2.301 3.358 . 0 0 "[ . 1 . 2]" 1
1806 4 26 MET HA 4 26 MET HG3 . . 4.240 3.110 2.546 3.831 . 0 0 "[ . 1 . 2]" 1
1807 4 26 MET HA 4 27 LYS H . . 3.430 2.250 2.047 2.696 . 0 0 "[ . 1 . 2]" 1
1808 4 26 MET QB 4 26 MET QG . . 2.310 2.055 1.978 2.080 . 0 0 "[ . 1 . 2]" 1
1809 4 26 MET HB2 4 26 MET HG2 . . 2.980 2.856 2.400 3.003 0.023 14 0 "[ . 1 . 2]" 1
1810 4 26 MET HB2 4 26 MET HG3 . . 2.980 2.444 2.390 2.995 0.015 4 0 "[ . 1 . 2]" 1
1811 4 26 MET HB3 4 26 MET HG2 . . 2.980 2.553 2.360 3.014 0.034 19 0 "[ . 1 . 2]" 1
1812 4 26 MET HB3 4 26 MET HG3 . . 2.980 2.863 2.426 3.006 0.026 15 0 "[ . 1 . 2]" 1
1813 4 27 LYS H 4 27 LYS HB2 . . 3.720 2.973 2.645 3.759 0.039 12 0 "[ . 1 . 2]" 1
1814 4 27 LYS H 4 27 LYS HB3 . . 3.720 3.619 2.715 3.830 0.110 3 0 "[ . 1 . 2]" 1
1815 4 27 LYS H 4 27 LYS QD . . 4.460 4.239 3.101 4.554 0.094 7 0 "[ . 1 . 2]" 1
1816 4 27 LYS H 4 27 LYS QG . . 4.020 3.445 2.238 4.246 0.226 13 0 "[ . 1 . 2]" 1
1817 4 27 LYS HA 4 27 LYS QD . . 4.260 2.488 1.833 4.185 . 0 0 "[ . 1 . 2]" 1
1818 4 27 LYS HA 4 27 LYS QE . . 4.660 3.802 2.937 4.658 . 0 0 "[ . 1 . 2]" 1
1819 4 27 LYS HA 4 27 LYS QG . . 3.860 2.790 2.307 3.508 . 0 0 "[ . 1 . 2]" 1
1820 4 27 LYS HA 4 28 GLU H . . 3.130 2.501 1.966 2.806 . 0 0 "[ . 1 . 2]" 1
1821 4 27 LYS QB 4 27 LYS QD . . 2.370 2.369 2.104 2.573 0.203 17 0 "[ . 1 . 2]" 1
1822 4 27 LYS QB 4 27 LYS QE . . 3.380 2.745 1.862 3.525 0.145 5 0 "[ . 1 . 2]" 1
1823 4 27 LYS QB 4 28 GLU H . . 3.530 2.300 1.753 3.579 0.049 13 0 "[ . 1 . 2]" 1
1824 4 27 LYS HB2 4 27 LYS QE . . 4.050 3.603 2.074 4.159 0.109 13 0 "[ . 1 . 2]" 1
1825 4 27 LYS HB2 4 28 GLU H . . 4.160 3.440 1.832 4.161 0.001 13 0 "[ . 1 . 2]" 1
1826 4 27 LYS HB3 4 27 LYS QE . . 4.050 3.023 1.873 4.103 0.053 18 0 "[ . 1 . 2]" 1
1827 4 27 LYS HB3 4 28 GLU H . . 4.160 2.472 1.760 3.903 . 0 0 "[ . 1 . 2]" 1
1828 4 27 LYS QE 4 27 LYS QG . . 3.290 2.281 2.014 2.835 . 0 0 "[ . 1 . 2]" 1
1829 4 27 LYS QG 4 28 GLU H . . 4.440 3.707 1.823 4.550 0.110 12 0 "[ . 1 . 2]" 1
1830 4 28 GLU H 4 29 PRO QD . . 4.420 4.326 3.400 4.470 0.050 16 0 "[ . 1 . 2]" 1
1831 4 29 PRO HA 4 30 ALA H . . 3.180 2.246 1.997 3.342 0.162 6 0 "[ . 1 . 2]" 1
1832 4 29 PRO HB2 4 30 ALA H . . 4.190 3.101 1.863 4.158 . 0 0 "[ . 1 . 2]" 1
1833 4 29 PRO HB3 4 30 ALA H . . 4.190 3.649 3.111 4.209 0.019 16 0 "[ . 1 . 2]" 1
1834 4 29 PRO QD 4 30 ALA H . . 4.730 4.602 2.171 4.837 0.107 13 0 "[ . 1 . 2]" 1
1835 4 29 PRO QG 4 30 ALA H . . 4.440 4.170 2.389 4.545 0.105 10 0 "[ . 1 . 2]" 1
1836 4 30 ALA H 4 30 ALA MB . . 3.090 2.403 2.283 2.850 . 0 0 "[ . 1 . 2]" 1
1837 4 30 ALA HA 4 31 PHE H . . 3.140 2.927 2.151 3.349 0.209 15 0 "[ . 1 . 2]" 1
1838 4 30 ALA MB 4 31 PHE H . . 3.640 3.014 2.161 3.652 0.012 6 0 "[ . 1 . 2]" 1
1839 4 31 PHE H 4 31 PHE HB2 . . 3.610 2.935 2.361 3.218 . 0 0 "[ . 1 . 2]" 1
1840 4 31 PHE H 4 31 PHE QB . . 3.140 2.725 2.230 3.015 . 0 0 "[ . 1 . 2]" 1
1841 4 31 PHE H 4 31 PHE HB3 . . 3.610 3.343 2.549 3.688 0.078 15 0 "[ . 1 . 2]" 1
1842 4 31 PHE H 4 31 PHE QD . . 4.350 4.002 2.760 4.326 . 0 0 "[ . 1 . 2]" 1
1843 4 31 PHE HA 4 31 PHE QD . . 3.460 2.241 2.043 2.543 . 0 0 "[ . 1 . 2]" 1
1844 4 31 PHE HA 4 31 PHE QE . . 4.060 4.204 4.166 4.240 0.180 8 0 "[ . 1 . 2]" 1
1845 4 31 PHE HA 4 32 ARG H . . 3.470 3.217 2.122 3.535 0.065 11 0 "[ . 1 . 2]" 1
1846 4 31 PHE HB2 4 32 ARG H . . 4.390 3.880 3.285 4.442 0.052 6 0 "[ . 1 . 2]" 1
1847 4 31 PHE HB3 4 32 ARG H . . 4.390 3.003 2.012 4.405 0.015 6 0 "[ . 1 . 2]" 1
1848 4 32 ARG H 4 32 ARG HB2 . . 4.120 2.776 2.446 3.623 . 0 0 "[ . 1 . 2]" 1
1849 4 32 ARG H 4 32 ARG QB . . 3.490 2.657 2.410 3.399 . 0 0 "[ . 1 . 2]" 1
1850 4 32 ARG H 4 32 ARG HB3 . . 4.120 3.695 3.067 4.114 . 0 0 "[ . 1 . 2]" 1
1851 4 32 ARG H 4 32 ARG QG . . 3.940 2.957 2.179 4.081 0.141 6 0 "[ . 1 . 2]" 1
1852 4 32 ARG HA 4 32 ARG QD . . 4.480 3.544 1.956 4.250 . 0 0 "[ . 1 . 2]" 1
1853 4 32 ARG HA 4 32 ARG QG . . 3.720 2.595 2.308 3.047 . 0 0 "[ . 1 . 2]" 1
1854 4 32 ARG HA 4 33 GLU H . . 3.220 2.442 2.112 3.368 0.148 6 0 "[ . 1 . 2]" 1
1855 4 32 ARG HB2 4 32 ARG QD . . 3.800 2.740 2.334 3.449 . 0 0 "[ . 1 . 2]" 1
1856 4 32 ARG HB3 4 32 ARG QD . . 3.800 2.518 2.355 2.897 . 0 0 "[ . 1 . 2]" 1
1857 4 32 ARG QG 4 33 GLU H . . 4.740 4.068 2.748 4.811 0.071 15 0 "[ . 1 . 2]" 1
1858 4 33 GLU H 4 33 GLU HB2 . . 4.190 2.846 2.301 3.718 . 0 0 "[ . 1 . 2]" 1
1859 4 33 GLU H 4 33 GLU QB . . 3.530 2.577 2.182 3.472 . 0 0 "[ . 1 . 2]" 1
1860 4 33 GLU H 4 33 GLU HB3 . . 4.190 3.267 2.371 4.163 . 0 0 "[ . 1 . 2]" 1
1861 4 33 GLU H 4 33 GLU QG . . 4.590 3.291 1.973 4.339 . 0 0 "[ . 1 . 2]" 1
1862 4 33 GLU HA 4 33 GLU QG . . 3.130 2.689 2.315 3.268 0.138 12 0 "[ . 1 . 2]" 1
1863 4 33 GLU HA 4 34 GLU H . . 3.160 2.208 1.923 2.715 . 0 0 "[ . 1 . 2]" 1
1864 4 33 GLU QB 4 34 GLU H . . 3.340 3.052 1.956 3.498 0.158 20 0 "[ . 1 . 2]" 1
1865 4 33 GLU HB2 4 33 GLU QG . . 2.400 2.312 2.156 2.407 0.007 7 0 "[ . 1 . 2]" 1
1866 4 33 GLU HB2 4 34 GLU H . . 4.050 3.830 3.061 4.198 0.148 9 0 "[ . 1 . 2]" 1
1867 4 33 GLU HB3 4 33 GLU QG . . 2.400 2.276 2.164 2.420 0.020 15 0 "[ . 1 . 2]" 1
1868 4 33 GLU HB3 4 34 GLU H . . 4.050 3.301 1.978 4.031 . 0 0 "[ . 1 . 2]" 1
1869 4 33 GLU QG 4 34 GLU H . . 4.380 3.422 2.056 4.420 0.040 19 0 "[ . 1 . 2]" 1
1870 4 34 GLU H 4 34 GLU HB2 . . 3.790 2.907 2.460 3.892 0.102 14 0 "[ . 1 . 2]" 1
1871 4 34 GLU H 4 34 GLU QB . . 3.260 2.602 2.229 3.264 0.004 14 0 "[ . 1 . 2]" 1
1872 4 34 GLU H 4 34 GLU HB3 . . 3.790 3.331 2.407 3.809 0.019 9 0 "[ . 1 . 2]" 1
1873 4 34 GLU H 4 34 GLU QG . . 3.910 2.813 1.953 4.011 0.101 7 0 "[ . 1 . 2]" 1
1874 4 34 GLU HA 4 34 GLU QG . . 3.200 2.721 2.378 3.302 0.102 14 0 "[ . 1 . 2]" 1
1875 4 34 GLU HB2 4 34 GLU QG . . 2.400 2.311 2.129 2.368 . 0 0 "[ . 1 . 2]" 1
1876 4 34 GLU HB3 4 34 GLU QG . . 2.400 2.319 2.138 2.368 . 0 0 "[ . 1 . 2]" 1
1877 4 38 PHE HA 4 38 PHE QD . . 3.510 2.486 2.182 2.664 . 0 0 "[ . 1 . 2]" 1
1878 4 38 PHE HA 4 38 PHE QE . . 4.260 4.357 4.313 4.415 0.155 19 0 "[ . 1 . 2]" 1
1879 4 40 LYS HA 4 40 LYS QE . . 4.760 4.467 3.864 4.843 0.083 10 0 "[ . 1 . 2]" 1
1880 4 40 LYS QB 4 40 LYS QE . . 3.260 2.746 1.841 3.472 0.212 15 0 "[ . 1 . 2]" 1
1881 4 40 LYS HB2 4 40 LYS QD . . 2.400 2.382 2.175 2.575 0.175 16 0 "[ . 1 . 2]" 1
1882 4 40 LYS HB3 4 40 LYS QD . . 2.400 2.306 2.210 2.534 0.134 20 0 "[ . 1 . 2]" 1
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