NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
388394 |
1mzk   |
5564 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1mzk
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 1257
_Distance_constraint_stats_list.Viol_count 4305
_Distance_constraint_stats_list.Viol_total 9877.303
_Distance_constraint_stats_list.Viol_max 0.679
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0087
_Distance_constraint_stats_list.Viol_average_violations_only 0.0765
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LEU 3.669 0.170 9 0 "[ . 1 . 2 . 3]"
1 4 GLY 1.347 0.258 25 0 "[ . 1 . 2 . 3]"
1 5 SER 3.579 0.258 25 0 "[ . 1 . 2 . 3]"
1 6 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 TRP 3.607 0.249 13 0 "[ . 1 . 2 . 3]"
1 8 LEU 8.131 0.182 19 0 "[ . 1 . 2 . 3]"
1 9 PHE 3.394 0.340 1 0 "[ . 1 . 2 . 3]"
1 10 LEU 13.398 0.340 1 0 "[ . 1 . 2 . 3]"
1 11 GLU 6.030 0.212 1 0 "[ . 1 . 2 . 3]"
1 12 VAL 10.134 0.228 27 0 "[ . 1 . 2 . 3]"
1 13 ILE 5.285 0.134 17 0 "[ . 1 . 2 . 3]"
1 14 ALA 3.383 0.134 17 0 "[ . 1 . 2 . 3]"
1 15 GLY 5.639 0.162 26 0 "[ . 1 . 2 . 3]"
1 16 PRO 1.803 0.149 23 0 "[ . 1 . 2 . 3]"
1 17 ALA 6.212 0.157 17 0 "[ . 1 . 2 . 3]"
1 18 ILE 14.202 0.167 8 0 "[ . 1 . 2 . 3]"
1 19 GLY 10.628 0.212 25 0 "[ . 1 . 2 . 3]"
1 20 LEU 11.618 0.182 17 0 "[ . 1 . 2 . 3]"
1 21 GLN 12.733 0.308 1 0 "[ . 1 . 2 . 3]"
1 22 HIS 15.060 0.308 1 0 "[ . 1 . 2 . 3]"
1 23 ALA 3.286 0.175 10 0 "[ . 1 . 2 . 3]"
1 24 VAL 3.964 0.159 24 0 "[ . 1 . 2 . 3]"
1 25 ASN 3.621 0.249 13 0 "[ . 1 . 2 . 3]"
1 26 SER 5.285 0.214 25 0 "[ . 1 . 2 . 3]"
1 27 THR 2.393 0.221 22 0 "[ . 1 . 2 . 3]"
1 28 SER 4.002 0.150 16 0 "[ . 1 . 2 . 3]"
1 29 SER 0.371 0.213 6 0 "[ . 1 . 2 . 3]"
1 30 SER 0.250 0.058 13 0 "[ . 1 . 2 . 3]"
1 31 LYS 6.425 0.213 6 0 "[ . 1 . 2 . 3]"
1 32 LEU 6.949 0.216 9 0 "[ . 1 . 2 . 3]"
1 33 PRO 4.381 0.264 13 0 "[ . 1 . 2 . 3]"
1 34 VAL 6.675 0.216 9 0 "[ . 1 . 2 . 3]"
1 35 LYS 1.529 0.106 11 0 "[ . 1 . 2 . 3]"
1 36 LEU 12.253 0.297 18 0 "[ . 1 . 2 . 3]"
1 37 GLY 5.100 0.167 20 0 "[ . 1 . 2 . 3]"
1 38 ARG 16.020 0.255 27 0 "[ . 1 . 2 . 3]"
1 39 VAL 2.348 0.247 27 0 "[ . 1 . 2 . 3]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 42 SER 0.789 0.093 25 0 "[ . 1 . 2 . 3]"
1 43 ASP 1.595 0.106 11 0 "[ . 1 . 2 . 3]"
1 44 LEU 26.276 0.297 18 0 "[ . 1 . 2 . 3]"
1 45 ALA 4.190 0.156 16 0 "[ . 1 . 2 . 3]"
1 46 LEU 13.011 0.228 28 0 "[ . 1 . 2 . 3]"
1 47 LYS 2.979 0.120 29 0 "[ . 1 . 2 . 3]"
1 48 ASP 2.997 0.150 21 0 "[ . 1 . 2 . 3]"
1 49 SER 5.640 0.255 27 0 "[ . 1 . 2 . 3]"
1 50 GLU 3.042 0.482 27 0 "[ . 1 . 2 . 3]"
1 51 VAL 10.161 0.482 27 0 "[ . 1 . 2 . 3]"
1 52 SER 0.427 0.215 20 0 "[ . 1 . 2 . 3]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 LYS 5.208 0.199 23 0 "[ . 1 . 2 . 3]"
1 55 HIS 4.966 0.267 27 0 "[ . 1 . 2 . 3]"
1 56 ALA 7.284 0.199 23 0 "[ . 1 . 2 . 3]"
1 57 GLN 8.027 0.297 26 0 "[ . 1 . 2 . 3]"
1 58 ILE 4.240 0.119 16 0 "[ . 1 . 2 . 3]"
1 59 THR 4.748 0.264 13 0 "[ . 1 . 2 . 3]"
1 60 TRP 1.468 0.159 24 0 "[ . 1 . 2 . 3]"
1 61 ASN 1.123 0.102 30 0 "[ . 1 . 2 . 3]"
1 62 SER 0.315 0.061 21 0 "[ . 1 . 2 . 3]"
1 63 THR 2.457 0.148 13 0 "[ . 1 . 2 . 3]"
1 64 LYS 3.214 0.148 13 0 "[ . 1 . 2 . 3]"
1 65 PHE 2.977 0.170 6 0 "[ . 1 . 2 . 3]"
1 66 LYS 6.717 0.198 2 0 "[ . 1 . 2 . 3]"
1 67 TRP 5.583 0.198 2 0 "[ . 1 . 2 . 3]"
1 68 GLU 7.195 0.208 30 0 "[ . 1 . 2 . 3]"
1 69 LEU 27.017 0.319 17 0 "[ . 1 . 2 . 3]"
1 70 VAL 7.375 0.239 16 0 "[ . 1 . 2 . 3]"
1 71 ASP 5.711 0.194 18 0 "[ . 1 . 2 . 3]"
1 72 MET 7.083 0.221 30 0 "[ . 1 . 2 . 3]"
1 73 GLY 4.017 0.433 25 0 "[ . 1 . 2 . 3]"
1 74 SER 2.172 0.433 25 0 "[ . 1 . 2 . 3]"
1 75 LEU 5.799 0.326 18 0 "[ . 1 . 2 . 3]"
1 76 ASN 0.177 0.068 16 0 "[ . 1 . 2 . 3]"
1 77 GLY 4.231 0.326 18 0 "[ . 1 . 2 . 3]"
1 78 THR 0.929 0.142 4 0 "[ . 1 . 2 . 3]"
1 79 LEU 11.158 0.222 22 0 "[ . 1 . 2 . 3]"
1 80 VAL 6.939 0.210 11 0 "[ . 1 . 2 . 3]"
1 81 ASN 3.443 0.175 11 0 "[ . 1 . 2 . 3]"
1 82 SER 1.793 0.101 13 0 "[ . 1 . 2 . 3]"
1 83 HIS 0.203 0.056 22 0 "[ . 1 . 2 . 3]"
1 84 SER 7.594 0.210 11 0 "[ . 1 . 2 . 3]"
1 85 ILE 11.845 0.322 30 0 "[ . 1 . 2 . 3]"
1 86 SER 2.961 0.224 25 0 "[ . 1 . 2 . 3]"
1 87 HIS 1.328 0.246 9 0 "[ . 1 . 2 . 3]"
1 88 PRO 8.292 0.362 2 0 "[ . 1 . 2 . 3]"
1 89 ASP 3.451 0.362 2 0 "[ . 1 . 2 . 3]"
1 90 LEU 4.838 0.242 3 0 "[ . 1 . 2 . 3]"
1 91 GLY 1.303 0.155 5 0 "[ . 1 . 2 . 3]"
1 92 SER 2.962 0.679 12 1 "[ . 1 + . 2 . 3]"
1 93 ARG 9.728 0.679 12 1 "[ . 1 + . 2 . 3]"
1 94 LYS 11.559 0.382 22 0 "[ . 1 . 2 . 3]"
1 95 TRP 10.093 0.224 29 0 "[ . 1 . 2 . 3]"
1 96 GLY 5.849 0.293 19 0 "[ . 1 . 2 . 3]"
1 97 ASN 0.293 0.293 19 0 "[ . 1 . 2 . 3]"
1 98 PRO 0.778 0.086 30 0 "[ . 1 . 2 . 3]"
1 99 VAL 12.691 0.322 30 0 "[ . 1 . 2 . 3]"
1 100 GLU 2.473 0.234 1 0 "[ . 1 . 2 . 3]"
1 101 LEU 13.682 0.234 1 0 "[ . 1 . 2 . 3]"
1 102 ALA 9.584 0.204 9 0 "[ . 1 . 2 . 3]"
1 103 SER 0.228 0.091 23 0 "[ . 1 . 2 . 3]"
1 104 ASP 3.250 0.157 30 0 "[ . 1 . 2 . 3]"
1 105 ASP 1.000 0.095 10 0 "[ . 1 . 2 . 3]"
1 106 ILE 12.099 0.404 17 0 "[ . 1 . 2 . 3]"
1 107 ILE 15.695 0.404 17 0 "[ . 1 . 2 . 3]"
1 108 THR 3.636 0.172 20 0 "[ . 1 . 2 . 3]"
1 109 LEU 2.205 0.183 10 0 "[ . 1 . 2 . 3]"
1 110 GLY 3.064 0.242 14 0 "[ . 1 . 2 . 3]"
1 111 THR 0.614 0.089 23 0 "[ . 1 . 2 . 3]"
1 112 THR 5.125 0.133 13 0 "[ . 1 . 2 . 3]"
1 113 THR 5.955 0.242 14 0 "[ . 1 . 2 . 3]"
1 114 LYS 10.626 0.324 11 0 "[ . 1 . 2 . 3]"
1 115 VAL 9.170 0.324 11 0 "[ . 1 . 2 . 3]"
1 116 TYR 5.891 0.148 24 0 "[ . 1 . 2 . 3]"
1 117 VAL 3.917 0.219 29 0 "[ . 1 . 2 . 3]"
1 118 ARG 1.183 0.121 22 0 "[ . 1 . 2 . 3]"
1 119 ILE 3.428 0.121 22 0 "[ . 1 . 2 . 3]"
1 120 SER 0.017 0.009 19 0 "[ . 1 . 2 . 3]"
1 121 SER 0.103 0.035 17 0 "[ . 1 . 2 . 3]"
1 122 GLN 1.146 0.162 22 0 "[ . 1 . 2 . 3]"
1 123 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 124 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 3 LEU QB 1 28 SER QB 4.200 . 5.000 5.043 4.675 5.150 0.150 16 0 "[ . 1 . 2 . 3]" 1
2 1 3 LEU HG 1 31 LYS QE 4.200 . 5.000 4.320 2.987 5.026 0.026 9 0 "[ . 1 . 2 . 3]" 1
3 1 3 LEU HG 1 31 LYS QG 4.200 . 5.000 5.015 4.476 5.170 0.170 9 0 "[ . 1 . 2 . 3]" 1
4 1 4 GLY H 1 5 SER H 3.700 . 4.200 3.415 2.373 4.458 0.258 25 0 "[ . 1 . 2 . 3]" 1
5 1 4 GLY HA3 1 5 SER H 3.700 . 4.200 3.156 2.063 3.579 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 4 GLY HA2 1 5 SER H 3.700 . 4.200 2.429 2.162 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 5 SER H 1 6 SER H 4.200 . 5.000 2.876 1.966 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 5 SER HA 1 6 SER H 3.700 . 4.200 3.227 2.149 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 5 SER HA 1 27 THR MG 4.200 . 5.000 4.243 2.919 5.162 0.162 14 0 "[ . 1 . 2 . 3]" 1
10 1 5 SER QB 1 27 THR MG 4.200 . 5.000 3.224 1.750 5.221 0.221 22 0 "[ . 1 . 2 . 3]" 1
11 1 5 SER H 1 122 GLN QB 4.200 . 5.000 3.760 2.404 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 5 SER H 1 122 GLN QG 4.200 . 5.000 4.526 2.760 5.162 0.162 22 0 "[ . 1 . 2 . 3]" 1
13 1 6 SER H 1 7 TRP H 4.200 . 5.000 4.367 4.255 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 6 SER H 1 26 SER QB 4.200 . 5.000 3.367 1.885 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 6 SER HA 1 7 TRP H 2.800 . 3.000 2.530 2.121 2.745 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 6 SER HA 1 121 SER HA 4.200 . 5.000 2.466 1.861 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 6 SER QB 1 7 TRP H 4.200 . 5.000 2.569 2.002 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 6 SER QB 1 26 SER QB 4.200 . 5.000 2.139 1.816 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 7 TRP H 1 121 SER HA 2.800 . 3.000 2.864 2.584 3.035 0.035 17 0 "[ . 1 . 2 . 3]" 1
20 1 7 TRP H 1 120 SER QB 4.200 . 5.000 4.586 4.026 5.009 0.009 19 0 "[ . 1 . 2 . 3]" 1
21 1 7 TRP QB 1 9 PHE HZ 4.200 . 5.000 2.160 2.038 2.286 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 7 TRP QB 1 120 SER H 4.200 . 5.000 3.331 2.987 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 7 TRP HE3 1 9 PHE HZ 4.200 . 5.000 4.171 3.487 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 7 TRP HE3 1 24 VAL MG1 4.200 . 5.000 4.251 3.913 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 7 TRP HE3 1 23 ALA MB 4.200 . 5.000 2.453 2.137 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 8 LEU H 1 9 PHE H 4.200 . 5.000 4.336 4.030 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 7 TRP HE3 1 8 LEU H 2.800 . 3.000 2.193 1.938 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 7 TRP QB 1 8 LEU H 3.700 . 4.200 3.166 2.714 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 8 LEU H 1 23 ALA MB 4.200 . 5.000 3.731 3.325 4.207 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 8 LEU H 1 23 ALA HA 4.200 . 5.000 4.229 3.844 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 8 LEU H 1 24 VAL MG1 4.200 . 5.000 3.442 2.944 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 8 LEU H 1 26 SER H 4.200 . 5.000 5.091 4.846 5.182 0.182 19 0 "[ . 1 . 2 . 3]" 1
33 1 8 LEU H 1 24 VAL H 4.200 . 5.000 2.495 2.135 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 8 LEU H 1 60 TRP HH2 4.200 . 5.000 3.565 2.908 5.060 0.060 25 0 "[ . 1 . 2 . 3]" 1
35 1 8 LEU HA 1 9 PHE H 2.800 . 3.000 2.221 2.163 2.285 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 8 LEU HA 1 8 LEU MD1 4.200 . 5.000 2.291 2.053 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 8 LEU HA 1 119 ILE HA 4.200 . 5.000 2.171 1.970 2.693 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 8 LEU HA 1 119 ILE QG 4.200 . 5.000 3.005 2.353 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 8 LEU HA 1 119 ILE MG 4.200 . 5.000 2.430 1.791 3.150 0.009 22 0 "[ . 1 . 2 . 3]" 1
40 1 8 LEU HA 1 119 ILE MD 4.200 . 5.000 4.211 2.800 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 8 LEU HA 1 120 SER H 4.200 . 5.000 3.241 2.968 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 8 LEU QB 1 119 ILE MG 4.200 . 5.000 2.532 2.095 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 8 LEU QB 1 24 VAL H 4.200 . 5.000 3.210 2.673 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 8 LEU QB 1 24 VAL MG1 4.200 . 5.000 2.503 1.950 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 8 LEU QB 1 24 VAL MG2 4.200 . 5.000 4.550 3.901 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 8 LEU HG 1 9 PHE H 4.200 . 5.000 3.679 3.227 4.285 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 8 LEU HG 1 10 LEU H 4.200 . 5.000 4.576 4.057 5.027 0.027 28 0 "[ . 1 . 2 . 3]" 1
48 1 8 LEU HG 1 24 VAL H 4.200 . 5.000 3.689 2.840 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 8 LEU MD1 1 9 PHE H 4.200 . 5.000 2.106 1.898 2.766 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 8 LEU MD1 1 118 ARG H 4.200 . 5.000 3.019 2.670 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 8 LEU MD1 1 119 ILE QG 2.800 . 3.000 1.918 1.769 2.112 0.031 26 0 "[ . 1 . 2 . 3]" 1
52 1 8 LEU MD1 1 119 ILE MG 4.200 . 5.000 3.111 2.641 3.246 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 8 LEU MD1 1 119 ILE HA 4.200 . 5.000 3.066 2.673 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 8 LEU MD1 1 119 ILE MD 4.200 . 5.000 2.955 1.785 3.445 0.015 23 0 "[ . 1 . 2 . 3]" 1
55 1 8 LEU MD1 1 58 ILE MG 4.200 . 5.000 3.709 3.391 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 8 LEU MD1 1 58 ILE MD 4.200 . 5.000 3.192 2.975 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 8 LEU MD1 1 117 VAL MG1 4.200 . 5.000 2.533 2.095 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 8 LEU MD1 1 10 LEU MD1 4.200 . 5.000 2.500 1.680 3.402 0.120 20 0 "[ . 1 . 2 . 3]" 1
59 1 8 LEU MD1 1 10 LEU MD2 2.800 . 3.000 2.453 1.667 3.075 0.133 15 0 "[ . 1 . 2 . 3]" 1
60 1 8 LEU MD1 1 10 LEU QB 4.200 . 5.000 3.729 2.770 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 8 LEU MD1 1 24 VAL MG1 4.200 . 5.000 4.258 3.272 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 8 LEU MD1 1 24 VAL H 4.200 . 5.000 4.696 4.052 5.031 0.031 4 0 "[ . 1 . 2 . 3]" 1
63 1 8 LEU MD2 1 9 PHE H 4.200 . 5.000 4.551 4.326 5.043 0.043 26 0 "[ . 1 . 2 . 3]" 1
64 1 8 LEU MD2 1 34 VAL HB 4.200 . 5.000 4.554 3.733 4.899 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 8 LEU MD2 1 34 VAL MG1 4.200 . 5.000 4.828 4.118 5.113 0.113 18 0 "[ . 1 . 2 . 3]" 1
66 1 8 LEU MD2 1 34 VAL MG2 4.200 . 5.000 3.215 2.313 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 8 LEU MD2 1 58 ILE MG 2.800 . 3.000 2.233 1.862 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 8 LEU MD2 1 58 ILE HB 4.200 . 5.000 3.233 2.972 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 8 LEU MD2 1 10 LEU MD1 4.200 . 5.000 3.027 2.117 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 8 LEU MD2 1 10 LEU MD2 4.200 . 5.000 3.183 1.980 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 8 LEU MD2 1 58 ILE MD 2.800 . 3.000 2.377 1.900 3.023 0.023 9 0 "[ . 1 . 2 . 3]" 1
72 1 8 LEU MD2 1 24 VAL MG1 2.800 . 3.000 2.779 1.820 3.112 0.112 29 0 "[ . 1 . 2 . 3]" 1
73 1 8 LEU MD2 1 24 VAL MG2 4.200 . 5.000 4.833 3.785 5.104 0.104 19 0 "[ . 1 . 2 . 3]" 1
74 1 8 LEU MD2 1 24 VAL H 4.200 . 5.000 4.507 3.897 5.029 0.029 30 0 "[ . 1 . 2 . 3]" 1
75 1 8 LEU MD2 1 117 VAL MG1 4.200 . 5.000 3.658 3.080 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 9 PHE H 1 119 ILE HA 4.200 . 5.000 2.772 2.487 3.033 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 9 PHE H 1 119 ILE H 4.200 . 5.000 4.513 4.311 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 9 PHE H 1 119 ILE QG 4.200 . 5.000 3.491 2.582 3.826 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 9 PHE H 1 119 ILE MG 4.200 . 5.000 4.049 3.489 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 9 PHE H 1 118 ARG H 3.700 . 4.200 3.570 3.316 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 9 PHE H 1 118 ARG QB 4.200 . 5.000 3.504 3.043 4.811 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 9 PHE H 1 10 LEU H 4.200 . 5.000 4.332 4.225 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 9 PHE H 1 23 ALA HA 4.200 . 5.000 4.648 4.278 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 9 PHE H 1 23 ALA MB 4.200 . 5.000 4.354 3.924 4.912 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 9 PHE H 1 10 LEU MD1 4.200 . 5.000 4.463 3.144 5.192 0.192 18 0 "[ . 1 . 2 . 3]" 1
86 1 9 PHE H 1 10 LEU MD2 4.200 . 5.000 4.348 3.375 5.340 0.340 1 0 "[ . 1 . 2 . 3]" 1
87 1 9 PHE HA 1 23 ALA MB 4.200 . 5.000 2.451 1.912 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 9 PHE HA 1 23 ALA HA 4.200 . 5.000 2.527 2.044 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 9 PHE HA 1 10 LEU H 2.800 . 3.000 2.097 2.050 2.151 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 9 PHE QB 1 10 LEU H 3.700 . 4.200 2.942 2.733 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 9 PHE QB 1 118 ARG H 3.700 . 4.200 3.956 3.654 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 9 PHE QB 1 118 ARG QB 4.200 . 5.000 2.580 2.104 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 9 PHE QB 1 118 ARG QD 4.200 . 5.000 4.433 2.487 5.078 0.078 13 0 "[ . 1 . 2 . 3]" 1
94 1 9 PHE QB 1 11 GLU QB 4.200 . 5.000 4.619 4.364 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 9 PHE QB 1 23 ALA MB 4.200 . 5.000 2.973 2.501 3.284 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 9 PHE QD 1 10 LEU H 4.200 . 5.000 4.428 4.256 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 9 PHE QD 1 23 ALA MB 4.200 . 5.000 1.985 1.782 2.423 0.018 30 0 "[ . 1 . 2 . 3]" 1
98 1 9 PHE QD 1 119 ILE QG 4.200 . 5.000 4.873 4.066 5.092 0.092 10 0 "[ . 1 . 2 . 3]" 1
99 1 10 LEU H 1 11 GLU H 4.200 . 5.000 4.404 4.355 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 10 LEU H 1 22 HIS H 2.800 . 3.000 2.851 2.553 3.061 0.061 26 0 "[ . 1 . 2 . 3]" 1
101 1 10 LEU H 1 23 ALA H 4.200 . 5.000 4.876 4.436 5.175 0.175 10 0 "[ . 1 . 2 . 3]" 1
102 1 10 LEU H 1 23 ALA HA 3.700 . 4.200 3.633 3.165 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 10 LEU H 1 23 ALA MB 3.700 . 4.200 3.545 3.023 4.292 0.092 20 0 "[ . 1 . 2 . 3]" 1
104 1 10 LEU HA 1 11 GLU H 2.800 . 3.000 2.247 2.182 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 10 LEU HA 1 115 VAL MG1 4.200 . 5.000 3.975 3.169 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 10 LEU HA 1 117 VAL HA 4.200 . 5.000 2.922 2.677 3.227 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 10 LEU HA 1 118 ARG H 4.200 . 5.000 3.063 2.757 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 10 LEU MD2 1 11 GLU H 3.700 . 4.200 4.237 3.776 4.412 0.212 1 0 "[ . 1 . 2 . 3]" 1
109 1 10 LEU MD2 1 22 HIS H 4.200 . 5.000 3.762 1.876 5.135 0.135 24 0 "[ . 1 . 2 . 3]" 1
110 1 10 LEU MD2 1 117 VAL HA 4.200 . 5.000 3.503 1.949 5.010 0.010 13 0 "[ . 1 . 2 . 3]" 1
111 1 10 LEU MD2 1 117 VAL MG1 4.200 . 5.000 3.213 1.790 5.023 0.023 23 0 "[ . 1 . 2 . 3]" 1
112 1 10 LEU MD2 1 58 ILE MD 4.200 . 5.000 2.528 1.709 3.981 0.091 11 0 "[ . 1 . 2 . 3]" 1
113 1 10 LEU MD1 1 117 VAL MG1 4.200 . 5.000 2.917 1.815 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 10 LEU MD1 1 117 VAL MG2 4.200 . 5.000 3.860 2.323 5.026 0.026 16 0 "[ . 1 . 2 . 3]" 1
115 1 10 LEU MD1 1 22 HIS HD2 4.200 . 5.000 4.315 2.132 5.074 0.074 28 0 "[ . 1 . 2 . 3]" 1
116 1 10 LEU MD1 1 22 HIS QB 4.200 . 5.000 4.022 1.909 5.270 0.270 2 0 "[ . 1 . 2 . 3]" 1
117 1 10 LEU QB 1 22 HIS H 4.200 . 5.000 3.284 2.430 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 10 LEU QB 1 11 GLU QB 4.200 . 5.000 4.601 4.466 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 10 LEU QB 1 22 HIS QB 4.200 . 5.000 3.899 2.456 5.128 0.128 26 0 "[ . 1 . 2 . 3]" 1
120 1 10 LEU QB 1 44 LEU MD1 4.200 . 5.000 3.609 2.579 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 10 LEU QB 1 44 LEU MD2 4.200 . 5.000 4.515 3.345 5.130 0.130 23 0 "[ . 1 . 2 . 3]" 1
122 1 10 LEU HG 1 22 HIS H 4.200 . 5.000 4.857 3.928 5.203 0.203 1 0 "[ . 1 . 2 . 3]" 1
123 1 10 LEU HG 1 58 ILE MD 4.200 . 5.000 2.986 1.863 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 11 GLU H 1 12 VAL H 4.200 . 5.000 4.222 4.096 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 11 GLU H 1 117 VAL H 4.200 . 5.000 4.972 4.735 5.106 0.106 1 0 "[ . 1 . 2 . 3]" 1
126 1 11 GLU H 1 116 TYR H 2.800 . 3.000 2.707 2.509 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 11 GLU H 1 116 TYR QB 4.200 . 5.000 2.874 2.650 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 11 GLU H 1 116 TYR QD 4.200 . 5.000 4.762 4.573 5.014 0.014 19 0 "[ . 1 . 2 . 3]" 1
129 1 11 GLU H 1 115 VAL MG2 4.200 . 5.000 4.257 1.984 5.147 0.147 24 0 "[ . 1 . 2 . 3]" 1
130 1 11 GLU HA 1 12 VAL H 2.800 . 3.000 2.192 2.129 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 11 GLU HA 1 22 HIS H 4.200 . 5.000 3.792 3.562 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 11 GLU HA 1 21 GLN HA 4.200 . 5.000 2.425 2.134 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 11 GLU HA 1 115 VAL HA 4.200 . 5.000 5.068 4.846 5.165 0.165 30 0 "[ . 1 . 2 . 3]" 1
134 1 11 GLU QB 1 21 GLN QG 4.200 . 5.000 2.205 1.787 2.930 0.013 28 0 "[ . 1 . 2 . 3]" 1
135 1 11 GLU QB 1 21 GLN QB 4.200 . 5.000 4.139 3.805 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 11 GLU QG 1 12 VAL H 2.800 . 3.000 2.780 2.363 3.023 0.023 5 0 "[ . 1 . 2 . 3]" 1
137 1 12 VAL H 1 22 HIS H 4.200 . 5.000 5.094 4.927 5.228 0.228 27 0 "[ . 1 . 2 . 3]" 1
138 1 12 VAL H 1 20 LEU H 4.200 . 5.000 3.704 3.329 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 12 VAL H 1 21 GLN HA 3.700 . 4.200 3.237 3.128 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 12 VAL H 1 13 ILE H 4.200 . 5.000 4.403 4.217 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 12 VAL H 1 44 LEU MD1 4.200 . 5.000 3.910 3.584 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 12 VAL H 1 21 GLN QG 4.200 . 5.000 3.240 2.969 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 12 VAL HA 1 116 TYR H 3.700 . 4.200 3.660 3.335 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 12 VAL HA 1 13 ILE H 2.800 . 3.000 2.154 2.118 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 12 VAL HA 1 14 ALA H 3.700 . 4.200 3.764 3.528 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 12 VAL HB 1 19 GLY H 4.200 . 5.000 2.308 2.040 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 12 VAL HB 1 18 ILE H 4.200 . 5.000 5.066 5.001 5.144 0.144 17 0 "[ . 1 . 2 . 3]" 1
148 1 12 VAL HB 1 18 ILE HA 4.200 . 5.000 2.909 2.712 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 12 VAL HB 1 44 LEU MD2 4.200 . 5.000 4.939 4.310 5.131 0.131 5 0 "[ . 1 . 2 . 3]" 1
150 1 12 VAL HB 1 17 ALA MB 4.200 . 5.000 4.429 4.133 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 12 VAL MG1 1 17 ALA H 4.200 . 5.000 3.557 3.413 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 12 VAL MG1 1 20 LEU H 4.200 . 5.000 3.721 3.503 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 12 VAL MG1 1 19 GLY H 4.200 . 5.000 3.404 3.199 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 12 VAL MG1 1 14 ALA H 3.700 . 4.200 2.522 2.335 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 12 VAL MG1 1 17 ALA HA 4.200 . 5.000 4.985 4.803 5.113 0.113 11 0 "[ . 1 . 2 . 3]" 1
156 1 12 VAL MG1 1 18 ILE H 4.200 . 5.000 3.718 3.534 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 12 VAL MG1 1 18 ILE HA 4.200 . 5.000 2.612 2.361 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 12 VAL MG1 1 18 ILE HB 4.200 . 5.000 5.005 4.851 5.142 0.142 10 0 "[ . 1 . 2 . 3]" 1
159 1 12 VAL MG1 1 44 LEU QB 4.200 . 5.000 5.019 4.575 5.180 0.180 9 0 "[ . 1 . 2 . 3]" 1
160 1 12 VAL MG1 1 44 LEU MD1 4.200 . 5.000 3.840 3.298 5.105 0.105 11 0 "[ . 1 . 2 . 3]" 1
161 1 12 VAL MG1 1 44 LEU MD2 4.200 . 5.000 4.732 3.267 5.097 0.097 1 0 "[ . 1 . 2 . 3]" 1
162 1 12 VAL MG2 1 19 GLY H 4.200 . 5.000 3.709 3.327 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 12 VAL MG2 1 20 LEU H 4.200 . 5.000 2.819 2.461 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 12 VAL MG2 1 20 LEU QB 4.200 . 5.000 1.984 1.802 2.375 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 12 VAL MG2 1 44 LEU MD2 2.800 . 3.000 2.687 1.751 2.941 0.049 11 0 "[ . 1 . 2 . 3]" 1
166 1 12 VAL MG2 1 44 LEU MD1 2.800 . 3.000 2.070 1.819 3.103 0.103 11 0 "[ . 1 . 2 . 3]" 1
167 1 13 ILE H 1 14 ALA H 2.800 . 3.000 2.429 2.315 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 13 ILE H 1 14 ALA HA 4.200 . 5.000 5.040 4.960 5.134 0.134 17 0 "[ . 1 . 2 . 3]" 1
169 1 13 ILE H 1 14 ALA MB 4.200 . 5.000 4.446 4.342 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 13 ILE H 1 115 VAL H 4.200 . 5.000 4.407 3.875 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 13 ILE H 1 115 VAL HA 4.200 . 5.000 2.263 1.975 2.547 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 13 ILE H 1 115 VAL MG2 4.200 . 5.000 3.946 3.154 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 13 ILE HA 1 18 ILE QG 4.200 . 5.000 4.757 3.357 5.050 0.050 29 0 "[ . 1 . 2 . 3]" 1
174 1 13 ILE HA 1 18 ILE MD 4.200 . 5.000 4.238 2.959 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 13 ILE HB 1 14 ALA MB 4.200 . 5.000 4.782 4.710 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 13 ILE HB 1 14 ALA H 3.700 . 4.200 4.082 3.966 4.211 0.011 12 0 "[ . 1 . 2 . 3]" 1
177 1 13 ILE HB 1 13 ILE QG 3.700 . 4.200 2.337 2.315 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 13 ILE QG 1 14 ALA H 4.200 . 5.000 4.214 4.044 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 13 ILE QG 1 14 ALA MB 4.200 . 5.000 3.420 3.070 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 13 ILE QG 1 114 LYS QD 4.200 . 5.000 4.900 3.955 5.081 0.081 9 0 "[ . 1 . 2 . 3]" 1
181 1 13 ILE QG 1 116 TYR H 4.200 . 5.000 5.086 5.028 5.120 0.120 7 0 "[ . 1 . 2 . 3]" 1
182 1 13 ILE MG 1 14 ALA MB 4.200 . 5.000 2.445 2.333 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 13 ILE MG 1 116 TYR H 4.200 . 5.000 3.777 3.251 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 13 ILE MG 1 116 TYR QB 4.200 . 5.000 3.866 3.318 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 13 ILE MD 1 116 TYR H 4.200 . 5.000 4.642 4.157 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 13 ILE MD 1 14 ALA H 4.200 . 5.000 5.004 4.859 5.082 0.082 14 0 "[ . 1 . 2 . 3]" 1
187 1 13 ILE MD 1 116 TYR QB 4.200 . 5.000 3.373 3.156 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 13 ILE MD 1 116 TYR QE 4.200 . 5.000 4.335 3.367 5.055 0.055 13 0 "[ . 1 . 2 . 3]" 1
189 1 13 ILE MD 1 114 LYS QE 4.200 . 5.000 4.705 3.546 5.019 0.019 8 0 "[ . 1 . 2 . 3]" 1
190 1 13 ILE MD 1 114 LYS QB 4.200 . 5.000 4.297 3.655 5.047 0.047 13 0 "[ . 1 . 2 . 3]" 1
191 1 13 ILE MD 1 14 ALA MB 4.200 . 5.000 4.131 3.929 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 14 ALA HA 1 15 GLY H 2.800 . 3.000 2.211 2.168 2.256 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 14 ALA HA 1 15 GLY QA 4.200 . 5.000 3.935 3.918 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 14 ALA HA 1 18 ILE MD 4.200 . 5.000 1.922 1.838 2.169 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 14 ALA HA 1 18 ILE QG 4.200 . 5.000 2.438 2.161 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 14 ALA HA 1 18 ILE MG 4.200 . 5.000 3.511 3.164 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 14 ALA MB 1 15 GLY H 3.700 . 4.200 3.525 3.468 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 14 ALA MB 1 15 GLY QA 4.200 . 5.000 3.864 3.827 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 14 ALA MB 1 114 LYS H 2.800 . 3.000 2.839 2.643 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 14 ALA MB 1 114 LYS QB 4.200 . 5.000 3.255 2.511 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 14 ALA MB 1 114 LYS HA 4.200 . 5.000 5.014 4.643 5.134 0.134 27 0 "[ . 1 . 2 . 3]" 1
202 1 14 ALA MB 1 114 LYS QG 4.200 . 5.000 3.597 1.912 5.008 0.008 4 0 "[ . 1 . 2 . 3]" 1
203 1 14 ALA MB 1 114 LYS QE 4.200 . 5.000 4.196 3.358 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 14 ALA MB 1 113 THR HA 4.200 . 5.000 3.708 3.415 3.946 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 14 ALA MB 1 112 THR MG 4.200 . 5.000 2.812 2.221 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 14 ALA MB 1 18 ILE MD 4.200 . 5.000 3.004 2.818 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 14 ALA H 1 15 GLY H 4.200 . 5.000 3.546 3.467 3.653 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 14 ALA H 1 114 LYS H 2.800 . 3.000 2.676 2.478 2.914 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 14 ALA H 1 18 ILE MD 4.200 . 5.000 4.002 2.346 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 14 ALA H 1 18 ILE HA 4.200 . 5.000 4.599 4.279 5.077 0.077 11 0 "[ . 1 . 2 . 3]" 1
211 1 14 ALA H 1 113 THR MG 4.200 . 5.000 4.074 3.784 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 15 GLY H 1 16 PRO QD 4.200 . 5.000 4.350 4.263 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 15 GLY H 1 18 ILE HB 3.700 . 4.200 4.308 4.031 4.362 0.162 26 0 "[ . 1 . 2 . 3]" 1
214 1 15 GLY H 1 18 ILE MD 4.200 . 5.000 2.400 1.770 3.029 0.030 11 0 "[ . 1 . 2 . 3]" 1
215 1 15 GLY H 1 18 ILE MG 4.200 . 5.000 3.857 3.605 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 15 GLY H 1 112 THR MG 3.700 . 4.200 4.273 4.206 4.328 0.128 11 0 "[ . 1 . 2 . 3]" 1
217 1 15 GLY QA 1 112 THR MG 4.200 . 5.000 2.769 2.571 3.028 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 15 GLY QA 1 113 THR HA 4.200 . 5.000 2.447 1.965 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 15 GLY QA 1 111 THR MG 4.200 . 5.000 4.791 4.622 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 15 GLY QA 1 16 PRO QD 2.800 . 3.000 2.128 2.087 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 15 GLY QA 1 16 PRO QG 4.200 . 5.000 3.828 3.730 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 PRO HA 1 17 ALA H 3.700 . 4.200 2.994 2.953 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 PRO HA 1 18 ILE H 3.700 . 4.200 4.010 3.934 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 16 PRO QB 1 17 ALA H 4.200 . 5.000 3.969 3.949 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 PRO QB 1 48 ASP H 4.200 . 5.000 4.660 4.181 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 PRO QB 1 48 ASP HA 4.200 . 5.000 3.498 2.821 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 PRO QB 1 47 LYS QE 4.200 . 5.000 3.265 1.921 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 PRO QG 1 17 ALA H 4.200 . 5.000 3.959 3.830 4.213 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 PRO QG 1 48 ASP H 2.800 . 3.000 2.982 2.589 3.149 0.149 23 0 "[ . 1 . 2 . 3]" 1
230 1 16 PRO QG 1 48 ASP HA 2.800 . 3.000 2.008 1.735 2.555 0.065 10 0 "[ . 1 . 2 . 3]" 1
231 1 16 PRO QG 1 48 ASP QB 4.200 . 5.000 2.602 1.771 3.764 0.029 23 0 "[ . 1 . 2 . 3]" 1
232 1 16 PRO QG 1 49 SER H 3.700 . 4.200 3.809 2.869 4.266 0.066 17 0 "[ . 1 . 2 . 3]" 1
233 1 16 PRO QG 1 47 LYS QE 4.200 . 5.000 4.361 3.516 5.007 0.007 17 0 "[ . 1 . 2 . 3]" 1
234 1 16 PRO QG 1 47 LYS QG 4.200 . 5.000 2.724 1.837 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 16 PRO QD 1 17 ALA H 4.200 . 5.000 3.314 3.063 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 16 PRO QD 1 112 THR MG 4.200 . 5.000 3.905 3.590 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 16 PRO QD 1 48 ASP QB 4.200 . 5.000 2.933 2.089 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 ALA H 1 18 ILE H 4.200 . 5.000 1.855 1.791 1.985 0.009 30 0 "[ . 1 . 2 . 3]" 1
239 1 17 ALA H 1 18 ILE HA 4.200 . 5.000 3.883 3.815 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 ALA H 1 18 ILE HB 4.200 . 5.000 4.500 3.971 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 ALA H 1 18 ILE MG 4.200 . 5.000 5.086 5.036 5.157 0.157 17 0 "[ . 1 . 2 . 3]" 1
242 1 17 ALA H 1 46 LEU MD1 4.200 . 5.000 3.512 2.833 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 ALA HA 1 18 ILE H 4.200 . 5.000 2.983 2.889 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 ALA HA 1 20 LEU MD1 4.200 . 5.000 3.739 3.126 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 ALA HA 1 47 LYS QD 4.200 . 5.000 4.698 3.182 5.075 0.075 21 0 "[ . 1 . 2 . 3]" 1
246 1 17 ALA HA 1 47 LYS QE 4.200 . 5.000 3.984 2.838 4.915 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 ALA MB 1 18 ILE H 3.700 . 4.200 3.600 3.565 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 ALA MB 1 20 LEU QB 4.200 . 5.000 3.703 3.030 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 ALA MB 1 20 LEU MD2 4.200 . 5.000 2.486 1.886 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 ALA MB 1 20 LEU MD1 4.200 . 5.000 1.727 1.676 1.812 0.124 5 0 "[ . 1 . 2 . 3]" 1
251 1 17 ALA MB 1 46 LEU HA 2.800 . 3.000 2.184 1.803 2.510 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 17 ALA MB 1 46 LEU MD1 2.800 . 3.000 1.960 1.726 2.488 0.074 17 0 "[ . 1 . 2 . 3]" 1
253 1 17 ALA MB 1 46 LEU MD2 4.200 . 5.000 3.547 2.993 3.934 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 17 ALA MB 1 47 LYS QG 2.800 . 3.000 2.841 2.502 3.087 0.087 3 0 "[ . 1 . 2 . 3]" 1
255 1 18 ILE HA 1 19 GLY H 2.800 . 3.000 2.159 2.119 2.196 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 ILE HA 1 20 LEU H 3.700 . 4.200 3.659 3.528 4.220 0.020 19 0 "[ . 1 . 2 . 3]" 1
257 1 18 ILE HB 1 19 GLY H 4.200 . 5.000 4.338 4.202 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 ILE HB 1 18 ILE QG 3.700 . 4.200 2.246 2.163 2.275 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 ILE QG 1 19 GLY H 3.700 . 4.200 4.261 4.187 4.330 0.130 11 0 "[ . 1 . 2 . 3]" 1
260 1 18 ILE MG 1 19 GLY H 4.200 . 5.000 3.027 2.796 3.203 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 ILE MG 1 19 GLY QA 4.200 . 5.000 3.214 3.116 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 ILE MD 1 19 GLY H 4.200 . 5.000 4.999 3.214 5.167 0.167 8 0 "[ . 1 . 2 . 3]" 1
263 1 19 GLY H 1 20 LEU H 2.800 . 3.000 1.932 1.806 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 19 GLY H 1 21 GLN QG 4.200 . 5.000 5.161 5.098 5.212 0.212 25 0 "[ . 1 . 2 . 3]" 1
265 1 19 GLY H 1 20 LEU QB 4.200 . 5.000 4.369 3.873 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 19 GLY H 1 20 LEU MD1 4.200 . 5.000 4.001 3.504 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 19 GLY H 1 20 LEU HG 4.200 . 5.000 3.856 3.219 5.146 0.146 9 0 "[ . 1 . 2 . 3]" 1
268 1 19 GLY QA 1 20 LEU H 3.700 . 4.200 2.927 2.630 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 20 LEU H 1 21 GLN H 4.200 . 5.000 4.414 4.119 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 20 LEU H 1 44 LEU MD2 4.200 . 5.000 4.739 4.447 5.085 0.085 18 0 "[ . 1 . 2 . 3]" 1
271 1 20 LEU H 1 44 LEU MD1 4.200 . 5.000 5.117 5.007 5.182 0.182 17 0 "[ . 1 . 2 . 3]" 1
272 1 20 LEU HA 1 21 GLN H 2.800 . 3.000 2.156 2.000 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 20 LEU HA 1 21 GLN HA 4.200 . 5.000 4.389 4.307 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 20 LEU QB 1 21 GLN H 4.200 . 5.000 2.907 2.381 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 20 LEU QB 1 44 LEU MD1 4.200 . 5.000 3.029 2.380 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 20 LEU QB 1 44 LEU MD2 4.200 . 5.000 2.167 1.817 3.365 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 20 LEU HG 1 21 GLN H 4.200 . 5.000 4.752 4.084 5.050 0.050 17 0 "[ . 1 . 2 . 3]" 1
278 1 20 LEU HG 1 45 ALA H 4.200 . 5.000 4.850 4.504 5.078 0.078 22 0 "[ . 1 . 2 . 3]" 1
279 1 20 LEU MD1 1 21 GLN H 4.200 . 5.000 4.889 4.253 5.112 0.112 26 0 "[ . 1 . 2 . 3]" 1
280 1 20 LEU MD1 1 45 ALA H 4.200 . 5.000 2.886 1.822 3.608 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 20 LEU MD1 1 45 ALA MB 4.200 . 5.000 2.879 2.560 3.291 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 20 LEU MD1 1 44 LEU HA 4.200 . 5.000 4.010 2.570 5.063 0.063 9 0 "[ . 1 . 2 . 3]" 1
283 1 20 LEU MD1 1 44 LEU QB 4.200 . 5.000 3.520 2.186 5.039 0.039 11 0 "[ . 1 . 2 . 3]" 1
284 1 20 LEU MD1 1 46 LEU MD2 4.200 . 5.000 2.477 1.813 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 20 LEU MD1 1 44 LEU MD1 4.200 . 5.000 3.386 2.212 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 20 LEU MD1 1 44 LEU MD2 4.200 . 5.000 3.099 1.960 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 20 LEU MD2 1 21 GLN H 3.700 . 4.200 4.214 3.873 4.346 0.146 27 0 "[ . 1 . 2 . 3]" 1
288 1 20 LEU MD2 1 47 LYS H 4.200 . 5.000 5.069 5.021 5.120 0.120 29 0 "[ . 1 . 2 . 3]" 1
289 1 20 LEU MD2 1 45 ALA H 2.800 . 3.000 2.580 1.809 3.020 0.020 3 0 "[ . 1 . 2 . 3]" 1
290 1 20 LEU MD2 1 45 ALA HA 4.200 . 5.000 4.174 3.520 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 20 LEU MD2 1 45 ALA MB 4.200 . 5.000 2.125 1.811 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 20 LEU MD2 1 44 LEU HA 4.200 . 5.000 3.966 3.016 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 20 LEU MD2 1 44 LEU QB 4.200 . 5.000 4.600 3.975 5.017 0.017 29 0 "[ . 1 . 2 . 3]" 1
294 1 21 GLN HA 1 22 HIS H 2.800 . 3.000 2.264 2.207 2.305 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 21 GLN QB 1 22 HIS H 2.800 . 3.000 2.845 2.700 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 21 GLN QG 1 22 HIS H 2.800 . 3.000 3.185 3.089 3.308 0.308 1 0 "[ . 1 . 2 . 3]" 1
297 1 22 HIS H 1 23 ALA H 3.700 . 4.200 4.254 4.166 4.310 0.110 14 0 "[ . 1 . 2 . 3]" 1
298 1 22 HIS H 1 44 LEU MD1 4.200 . 5.000 4.380 3.376 5.038 0.038 29 0 "[ . 1 . 2 . 3]" 1
299 1 22 HIS H 1 44 LEU MD2 3.700 . 4.200 3.787 3.287 4.338 0.138 11 0 "[ . 1 . 2 . 3]" 1
300 1 22 HIS HA 1 23 ALA H 2.800 . 3.000 2.152 2.053 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 22 HIS QB 1 23 ALA H 4.200 . 5.000 3.131 2.734 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 22 HIS QB 1 44 LEU MD1 4.200 . 5.000 3.537 1.792 4.606 0.008 11 0 "[ . 1 . 2 . 3]" 1
303 1 22 HIS QB 1 44 LEU MD2 4.200 . 5.000 2.407 1.852 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 22 HIS QB 1 44 LEU HG 4.200 . 5.000 3.225 2.260 5.007 0.007 18 0 "[ . 1 . 2 . 3]" 1
305 1 23 ALA H 1 24 VAL MG1 4.200 . 5.000 4.720 4.397 5.063 0.063 20 0 "[ . 1 . 2 . 3]" 1
306 1 23 ALA H 1 24 VAL H 4.200 . 5.000 4.383 4.256 4.457 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 23 ALA HA 1 24 VAL H 2.800 . 3.000 2.352 2.181 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 23 ALA MB 1 24 VAL H 2.800 . 3.000 2.561 2.249 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 24 VAL HA 1 25 ASN H 3.700 . 4.200 2.268 2.111 2.356 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 24 VAL HB 1 25 ASN H 3.700 . 4.200 3.854 3.652 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 24 VAL HB 1 32 LEU HA 4.200 . 5.000 3.280 2.737 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 24 VAL HB 1 32 LEU MD2 4.200 . 5.000 4.471 3.274 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 24 VAL HB 1 34 VAL QG 4.200 . 5.000 3.551 2.822 4.151 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 24 VAL MG1 1 25 ASN H 3.700 . 4.200 3.705 3.487 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 24 VAL MG1 1 32 LEU QB 4.200 . 5.000 3.266 1.807 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 24 VAL MG1 1 32 LEU MD2 4.200 . 5.000 2.416 1.753 3.274 0.047 6 0 "[ . 1 . 2 . 3]" 1
317 1 24 VAL MG1 1 34 VAL MG2 4.200 . 5.000 2.609 2.034 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 24 VAL MG1 1 34 VAL MG1 4.200 . 5.000 4.705 4.033 5.073 0.073 3 0 "[ . 1 . 2 . 3]" 1
319 1 24 VAL MG1 1 60 TRP HZ2 4.200 . 5.000 3.996 3.244 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 24 VAL MG1 1 60 TRP HZ3 4.200 . 5.000 2.369 1.848 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 24 VAL MG1 1 60 TRP HH2 2.800 . 3.000 2.299 1.795 3.159 0.159 24 0 "[ . 1 . 2 . 3]" 1
322 1 24 VAL MG2 1 25 ASN H 2.800 . 3.000 1.949 1.757 2.558 0.043 2 0 "[ . 1 . 2 . 3]" 1
323 1 24 VAL MG2 1 25 ASN QB 4.200 . 5.000 3.596 3.222 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 24 VAL MG2 1 28 SER H 3.700 . 4.200 3.799 3.321 4.229 0.029 8 0 "[ . 1 . 2 . 3]" 1
325 1 24 VAL MG2 1 28 SER QB 4.200 . 5.000 2.243 1.921 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 24 VAL MG2 1 31 LYS QD 4.200 . 5.000 4.904 3.974 5.139 0.139 26 0 "[ . 1 . 2 . 3]" 1
327 1 24 VAL MG2 1 31 LYS QB 4.200 . 5.000 4.060 3.215 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 24 VAL MG2 1 31 LYS QG 4.200 . 5.000 3.388 2.849 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 24 VAL MG2 1 31 LYS QE 4.200 . 5.000 4.838 4.205 5.104 0.104 26 0 "[ . 1 . 2 . 3]" 1
330 1 24 VAL MG2 1 32 LEU QB 4.200 . 5.000 2.444 1.752 3.121 0.048 8 0 "[ . 1 . 2 . 3]" 1
331 1 24 VAL MG2 1 32 LEU MD1 4.200 . 5.000 3.235 1.954 4.269 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 24 VAL MG2 1 32 LEU MD2 4.200 . 5.000 3.259 1.721 3.851 0.079 13 0 "[ . 1 . 2 . 3]" 1
333 1 24 VAL MG2 1 60 TRP HH2 4.200 . 5.000 3.458 1.887 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 25 ASN H 1 28 SER QB 4.200 . 5.000 3.356 2.531 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 25 ASN H 1 26 SER H 4.200 . 5.000 4.557 4.518 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 7 TRP HZ2 1 25 ASN H 4.200 . 5.000 5.116 5.011 5.249 0.249 13 0 "[ . 1 . 2 . 3]" 1
337 1 25 ASN HA 1 26 SER H 4.200 . 5.000 2.200 2.109 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 25 ASN QB 1 26 SER H 4.200 . 5.000 2.866 2.444 3.586 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 25 ASN QB 1 27 THR H 4.200 . 5.000 2.452 2.111 3.101 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 25 ASN QB 1 27 THR HB 4.200 . 5.000 4.311 3.802 4.923 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 25 ASN QB 1 27 THR MG 4.200 . 5.000 2.022 1.775 2.408 0.025 17 0 "[ . 1 . 2 . 3]" 1
342 1 25 ASN QB 1 28 SER H 4.200 . 5.000 3.802 2.996 4.858 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 26 SER H 1 27 THR H 2.800 . 3.000 2.779 2.667 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 26 SER H 1 27 THR MG 3.700 . 4.200 3.693 3.287 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 26 SER HA 1 60 TRP HH2 4.200 . 5.000 4.038 3.175 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 26 SER HA 1 60 TRP HZ2 4.200 . 5.000 2.176 1.747 3.386 0.053 10 0 "[ . 1 . 2 . 3]" 1
347 1 26 SER HA 1 27 THR H 3.700 . 4.200 3.331 3.216 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 26 SER HA 1 28 SER H 4.200 . 5.000 3.495 3.275 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 26 SER HA 1 32 LEU MD1 4.200 . 5.000 3.420 1.904 5.214 0.214 25 0 "[ . 1 . 2 . 3]" 1
350 1 26 SER HA 1 32 LEU MD2 4.200 . 5.000 4.769 3.920 5.103 0.103 17 0 "[ . 1 . 2 . 3]" 1
351 1 26 SER QB 1 27 THR H 4.200 . 5.000 3.446 2.404 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 26 SER QB 1 67 TRP HE1 4.200 . 5.000 4.937 3.409 5.178 0.178 14 0 "[ . 1 . 2 . 3]" 1
353 1 26 SER QB 1 28 SER H 4.200 . 5.000 4.721 4.262 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 26 SER QB 1 60 TRP HD1 4.200 . 5.000 4.124 3.075 5.035 0.035 9 0 "[ . 1 . 2 . 3]" 1
355 1 27 THR H 1 28 SER H 2.800 . 3.000 2.590 2.099 3.025 0.025 23 0 "[ . 1 . 2 . 3]" 1
356 1 27 THR HA 1 28 SER QB 4.200 . 5.000 5.036 4.957 5.097 0.097 7 0 "[ . 1 . 2 . 3]" 1
357 1 27 THR HA 1 28 SER H 4.200 . 5.000 3.097 2.772 3.351 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 27 THR HB 1 28 SER H 4.200 . 5.000 4.557 4.371 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 27 THR MG 1 28 SER H 3.700 . 4.200 3.294 2.739 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 28 SER H 1 32 LEU MD1 4.200 . 5.000 3.683 2.558 5.072 0.072 30 0 "[ . 1 . 2 . 3]" 1
361 1 28 SER H 1 31 LYS QG 4.200 . 5.000 4.743 4.374 5.036 0.036 4 0 "[ . 1 . 2 . 3]" 1
362 1 28 SER HA 1 29 SER H 2.800 . 3.000 2.177 2.131 2.239 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 28 SER QB 1 31 LYS H 3.700 . 4.200 3.232 2.769 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 28 SER QB 1 31 LYS HA 4.200 . 5.000 4.770 4.099 5.100 0.100 26 0 "[ . 1 . 2 . 3]" 1
365 1 28 SER QB 1 31 LYS QG 4.200 . 5.000 2.016 1.751 2.669 0.049 23 0 "[ . 1 . 2 . 3]" 1
366 1 28 SER QB 1 31 LYS QB 4.200 . 5.000 3.685 3.118 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 28 SER QB 1 31 LYS QD 4.200 . 5.000 3.726 3.011 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 28 SER QB 1 31 LYS QE 4.200 . 5.000 3.010 2.487 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 28 SER QB 1 32 LEU H 3.700 . 4.200 3.086 2.319 4.217 0.017 23 0 "[ . 1 . 2 . 3]" 1
370 1 28 SER QB 1 32 LEU MD1 4.200 . 5.000 3.382 1.967 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 28 SER QB 1 32 LEU MD2 4.200 . 5.000 4.477 3.575 5.059 0.059 22 0 "[ . 1 . 2 . 3]" 1
372 1 29 SER HA 1 32 LEU MD1 4.200 . 5.000 4.223 2.922 5.010 0.010 10 0 "[ . 1 . 2 . 3]" 1
373 1 29 SER HA 1 31 LYS QG 4.200 . 5.000 4.777 4.437 5.036 0.036 8 0 "[ . 1 . 2 . 3]" 1
374 1 29 SER HA 1 31 LYS QE 4.200 . 5.000 4.497 3.944 5.213 0.213 6 0 "[ . 1 . 2 . 3]" 1
375 1 29 SER QB 1 31 LYS QE 4.200 . 5.000 3.210 2.348 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 29 SER QB 1 31 LYS QG 4.200 . 5.000 4.291 3.862 5.061 0.061 22 0 "[ . 1 . 2 . 3]" 1
377 1 30 SER HA 1 31 LYS H 4.200 . 5.000 3.111 2.863 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 30 SER QB 1 31 LYS QE 4.200 . 5.000 4.673 3.737 5.058 0.058 13 0 "[ . 1 . 2 . 3]" 1
379 1 31 LYS H 1 32 LEU H 2.800 . 3.000 2.154 1.782 3.118 0.118 24 0 "[ . 1 . 2 . 3]" 1
380 1 31 LYS H 1 32 LEU HA 4.200 . 5.000 4.576 4.361 5.011 0.011 6 0 "[ . 1 . 2 . 3]" 1
381 1 31 LYS H 1 33 PRO QG 4.200 . 5.000 4.570 4.157 5.043 0.043 17 0 "[ . 1 . 2 . 3]" 1
382 1 31 LYS HA 1 32 LEU H 3.700 . 4.200 3.210 2.633 3.414 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 31 LYS HA 1 33 PRO QG 4.200 . 5.000 4.379 3.860 5.049 0.049 6 0 "[ . 1 . 2 . 3]" 1
384 1 31 LYS HA 1 32 LEU QB 4.200 . 5.000 4.946 4.513 5.117 0.117 25 0 "[ . 1 . 2 . 3]" 1
385 1 31 LYS QG 1 32 LEU H 4.200 . 5.000 3.019 2.421 4.101 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 31 LYS QG 1 32 LEU MD1 4.200 . 5.000 4.792 3.903 5.104 0.104 13 0 "[ . 1 . 2 . 3]" 1
387 1 31 LYS QB 1 32 LEU H 4.200 . 5.000 3.806 3.632 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 32 LEU H 1 33 PRO QG 4.200 . 5.000 3.655 2.996 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 32 LEU HA 1 34 VAL H 4.200 . 5.000 4.913 4.405 5.059 0.059 3 0 "[ . 1 . 2 . 3]" 1
390 1 32 LEU HA 1 34 VAL MG2 4.200 . 5.000 4.027 3.378 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 32 LEU QB 1 33 PRO HA 4.200 . 5.000 4.281 3.753 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 32 LEU QB 1 33 PRO QD 4.200 . 5.000 2.246 1.762 3.539 0.038 10 0 "[ . 1 . 2 . 3]" 1
393 1 32 LEU MD1 1 60 TRP H 4.200 . 5.000 2.751 1.871 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 32 LEU MD1 1 60 TRP QB 4.200 . 5.000 3.535 1.770 4.977 0.030 20 0 "[ . 1 . 2 . 3]" 1
395 1 32 LEU MD2 1 34 VAL H 2.800 . 3.000 3.091 2.975 3.216 0.216 9 0 "[ . 1 . 2 . 3]" 1
396 1 32 LEU MD2 1 33 PRO HA 4.200 . 5.000 2.641 2.231 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 32 LEU MD2 1 33 PRO QB 4.200 . 5.000 3.907 3.377 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 32 LEU MD2 1 34 VAL HB 4.200 . 5.000 4.761 4.186 5.052 0.052 24 0 "[ . 1 . 2 . 3]" 1
399 1 32 LEU MD2 1 60 TRP QB 4.200 . 5.000 3.394 2.167 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 33 PRO HA 1 34 VAL H 2.800 . 3.000 2.230 2.174 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 33 PRO HA 1 34 VAL HB 4.200 . 5.000 4.636 4.362 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 33 PRO QB 1 34 VAL H 3.700 . 4.200 3.738 3.683 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 33 PRO QB 1 58 ILE H 4.200 . 5.000 4.696 4.270 5.038 0.038 22 0 "[ . 1 . 2 . 3]" 1
404 1 33 PRO QB 1 59 THR HB 4.200 . 5.000 2.403 1.885 3.048 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 33 PRO QB 1 59 THR MG 2.800 . 3.000 3.136 3.050 3.264 0.264 13 0 "[ . 1 . 2 . 3]" 1
406 1 33 PRO QG 1 59 THR MG 4.200 . 5.000 4.447 3.925 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 33 PRO QG 1 59 THR HB 4.200 . 5.000 3.569 2.521 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 33 PRO QG 1 34 VAL H 4.200 . 5.000 4.927 4.768 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 34 VAL H 1 35 LYS H 4.200 . 5.000 4.496 4.090 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 34 VAL H 1 59 THR HA 4.200 . 5.000 4.016 3.701 4.796 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 34 VAL H 1 58 ILE H 2.800 . 3.000 2.952 2.503 3.065 0.065 12 0 "[ . 1 . 2 . 3]" 1
412 1 34 VAL H 1 58 ILE HA 4.200 . 5.000 4.730 4.583 4.992 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 34 VAL H 1 58 ILE HB 3.700 . 4.200 3.062 2.647 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 34 VAL HA 1 35 LYS H 2.800 . 3.000 2.346 2.122 2.465 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 34 VAL HA 1 43 ASP QB 4.200 . 5.000 3.039 2.365 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 34 VAL HB 1 58 ILE H 2.800 . 3.000 2.623 2.100 3.069 0.069 30 0 "[ . 1 . 2 . 3]" 1
417 1 34 VAL HB 1 58 ILE HB 4.200 . 5.000 2.554 1.920 3.361 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 34 VAL HB 1 58 ILE MD 4.200 . 5.000 3.328 2.443 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 34 VAL HB 1 58 ILE MG 4.200 . 5.000 4.155 3.458 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
420 1 34 VAL HB 1 36 LEU MD1 4.200 . 5.000 3.601 2.586 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 34 VAL HB 1 57 GLN HA 4.200 . 5.000 3.958 3.368 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 34 VAL MG1 1 35 LYS H 4.200 . 5.000 2.321 1.781 3.643 0.019 24 0 "[ . 1 . 2 . 3]" 1
423 1 34 VAL MG1 1 36 LEU MD1 4.200 . 5.000 2.958 1.892 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 34 VAL MG1 1 36 LEU MD2 4.200 . 5.000 3.224 2.727 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 34 VAL MG1 1 43 ASP H 4.200 . 5.000 4.260 3.493 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 34 VAL MG1 1 43 ASP QB 4.200 . 5.000 2.324 1.758 3.227 0.042 6 0 "[ . 1 . 2 . 3]" 1
427 1 34 VAL MG1 1 58 ILE H 4.200 . 5.000 3.636 2.653 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 34 VAL MG1 1 58 ILE HB 4.200 . 5.000 3.992 2.859 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 34 VAL MG1 1 58 ILE QG 4.200 . 5.000 3.528 2.622 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 34 VAL MG1 1 44 LEU MD1 4.200 . 5.000 3.608 2.597 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 34 VAL MG2 1 35 LYS H 3.700 . 4.200 3.902 3.435 4.244 0.044 30 0 "[ . 1 . 2 . 3]" 1
432 1 34 VAL MG2 1 58 ILE H 4.200 . 5.000 3.963 3.227 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 34 VAL MG2 1 58 ILE MG 4.200 . 5.000 3.791 3.189 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 34 VAL MG2 1 58 ILE MD 4.200 . 5.000 3.317 2.577 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 34 VAL MG2 1 44 LEU MD2 4.200 . 5.000 5.061 4.804 5.160 0.160 18 0 "[ . 1 . 2 . 3]" 1
436 1 34 VAL MG2 1 43 ASP QB 4.200 . 5.000 3.902 3.370 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 35 LYS H 1 36 LEU H 4.200 . 5.000 3.951 3.530 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 35 LYS H 1 58 ILE H 4.200 . 5.000 4.687 4.398 5.049 0.049 15 0 "[ . 1 . 2 . 3]" 1
439 1 35 LYS H 1 43 ASP H 3.700 . 4.200 3.298 2.676 3.964 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 35 LYS H 1 43 ASP QB 2.800 . 3.000 1.917 1.782 2.235 0.018 8 0 "[ . 1 . 2 . 3]" 1
441 1 35 LYS HA 1 36 LEU H 2.800 . 3.000 2.342 2.220 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 35 LYS HA 1 57 GLN QG 4.200 . 5.000 3.051 1.885 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 35 LYS HA 1 57 GLN HA 4.200 . 5.000 3.089 2.700 3.435 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 35 LYS HA 1 58 ILE H 4.200 . 5.000 4.042 3.517 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 35 LYS HA 1 43 ASP H 4.200 . 5.000 4.039 3.835 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 35 LYS HA 1 36 LEU MD1 4.200 . 5.000 3.979 2.692 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 35 LYS QB 1 43 ASP H 3.700 . 4.200 2.021 1.894 3.174 0.106 11 0 "[ . 1 . 2 . 3]" 1
448 1 35 LYS QB 1 57 GLN QG 4.200 . 5.000 4.425 3.271 5.069 0.069 23 0 "[ . 1 . 2 . 3]" 1
449 1 35 LYS QB 1 42 SER HA 4.200 . 5.000 2.149 1.753 2.619 0.047 1 0 "[ . 1 . 2 . 3]" 1
450 1 35 LYS QD 1 43 ASP H 4.200 . 5.000 4.027 3.516 4.591 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 35 LYS QE 1 43 ASP H 4.200 . 5.000 4.083 3.210 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 35 LYS QE 1 42 SER HA 4.200 . 5.000 2.936 2.139 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 35 LYS QE 1 42 SER QB 4.200 . 5.000 4.493 3.491 5.093 0.093 25 0 "[ . 1 . 2 . 3]" 1
454 1 36 LEU H 1 37 GLY H 4.200 . 5.000 4.534 4.457 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 36 LEU H 1 56 ALA H 3.700 . 4.200 4.167 3.707 4.280 0.080 22 0 "[ . 1 . 2 . 3]" 1
456 1 36 LEU H 1 56 ALA HA 4.200 . 5.000 5.046 4.924 5.159 0.159 18 0 "[ . 1 . 2 . 3]" 1
457 1 36 LEU H 1 57 GLN HA 2.800 . 3.000 2.273 1.990 3.024 0.024 17 0 "[ . 1 . 2 . 3]" 1
458 1 36 LEU H 1 57 GLN QG 3.700 . 4.200 3.785 2.276 4.326 0.126 13 0 "[ . 1 . 2 . 3]" 1
459 1 36 LEU H 1 44 LEU MD1 4.200 . 5.000 5.103 4.924 5.297 0.297 18 0 "[ . 1 . 2 . 3]" 1
460 1 36 LEU H 1 43 ASP H 4.200 . 5.000 4.658 4.154 5.029 0.029 15 0 "[ . 1 . 2 . 3]" 1
461 1 36 LEU H 1 57 GLN QB 2.800 . 3.000 2.803 2.475 3.117 0.117 17 0 "[ . 1 . 2 . 3]" 1
462 1 36 LEU HA 1 37 GLY H 2.800 . 3.000 2.195 2.159 2.244 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 36 LEU HA 1 44 LEU H 4.200 . 5.000 2.735 1.943 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 36 LEU HA 1 43 ASP H 4.200 . 5.000 4.049 3.322 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 36 LEU HA 1 44 LEU MD2 4.200 . 5.000 4.441 2.949 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 36 LEU QB 1 37 GLY H 3.700 . 4.200 3.140 2.642 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 36 LEU QB 1 56 ALA H 3.700 . 4.200 2.780 2.485 4.314 0.114 17 0 "[ . 1 . 2 . 3]" 1
468 1 36 LEU QB 1 44 LEU MD1 4.200 . 5.000 2.931 1.872 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 36 LEU QB 1 44 LEU MD2 4.200 . 5.000 4.815 2.630 5.144 0.144 20 0 "[ . 1 . 2 . 3]" 1
470 1 36 LEU QB 1 46 LEU MD2 4.200 . 5.000 3.013 2.478 3.507 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 36 LEU HG 1 37 GLY H 4.200 . 5.000 4.814 4.433 5.054 0.054 28 0 "[ . 1 . 2 . 3]" 1
472 1 36 LEU HG 1 44 LEU MD2 4.200 . 5.000 4.774 2.365 5.208 0.208 17 0 "[ . 1 . 2 . 3]" 1
473 1 36 LEU HG 1 44 LEU MD1 4.200 . 5.000 3.290 2.259 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 36 LEU HG 1 44 LEU HG 4.200 . 5.000 3.616 2.589 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 36 LEU MD1 1 56 ALA H 3.700 . 4.200 3.588 3.323 4.231 0.031 25 0 "[ . 1 . 2 . 3]" 1
476 1 36 LEU MD1 1 57 GLN HA 4.200 . 5.000 1.888 1.763 2.146 0.037 17 0 "[ . 1 . 2 . 3]" 1
477 1 36 LEU MD1 1 44 LEU MD1 4.200 . 5.000 3.936 3.334 4.554 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 36 LEU MD1 1 58 ILE MG 4.200 . 5.000 4.590 4.145 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 36 LEU MD1 1 58 ILE H 4.200 . 5.000 3.312 2.554 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 36 LEU MD1 1 58 ILE HB 4.200 . 5.000 4.270 3.611 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 36 LEU MD1 1 58 ILE MD 4.200 . 5.000 2.953 2.059 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 36 LEU MD1 1 107 ILE MG 4.200 . 5.000 3.572 2.737 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 36 LEU MD2 1 115 VAL MG2 4.200 . 5.000 2.521 1.817 5.048 0.048 17 0 "[ . 1 . 2 . 3]" 1
484 1 36 LEU MD2 1 115 VAL MG1 4.200 . 5.000 2.799 2.148 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 36 LEU MD2 1 37 GLY H 4.200 . 5.000 4.447 3.603 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 36 LEU MD2 1 44 LEU MD1 4.200 . 5.000 2.004 1.713 3.863 0.087 16 0 "[ . 1 . 2 . 3]" 1
487 1 36 LEU MD2 1 44 LEU H 4.200 . 5.000 4.966 4.692 5.218 0.218 17 0 "[ . 1 . 2 . 3]" 1
488 1 36 LEU MD2 1 44 LEU QB 4.200 . 5.000 3.070 2.813 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 36 LEU MD2 1 56 ALA H 4.200 . 5.000 4.780 1.781 5.112 0.112 5 0 "[ . 1 . 2 . 3]" 1
490 1 37 GLY H 1 38 ARG H 3.700 . 4.200 4.351 4.333 4.367 0.167 20 0 "[ . 1 . 2 . 3]" 1
491 1 37 GLY H 1 44 LEU MD1 4.200 . 5.000 4.264 3.442 5.038 0.038 18 0 "[ . 1 . 2 . 3]" 1
492 1 37 GLY H 1 46 LEU MD2 3.700 . 4.200 2.546 2.007 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 37 GLY H 1 42 SER QB 3.700 . 4.200 3.049 2.441 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 37 GLY H 1 46 LEU HG 4.200 . 5.000 4.841 4.254 5.109 0.109 26 0 "[ . 1 . 2 . 3]" 1
495 1 37 GLY QA 1 42 SER QB 4.200 . 5.000 2.876 1.968 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 37 GLY QA 1 38 ARG H 2.800 . 3.000 2.235 2.195 2.266 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 37 GLY QA 1 55 HIS H 2.800 . 3.000 2.298 2.060 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 37 GLY QA 1 56 ALA H 4.200 . 5.000 3.862 3.669 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 37 GLY QA 1 38 ARG HA 4.200 . 5.000 3.945 3.909 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 37 GLY QA 1 51 VAL MG1 4.200 . 5.000 2.732 1.886 3.274 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 38 ARG H 1 54 LYS H 4.200 . 5.000 4.409 4.176 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 38 ARG H 1 51 VAL MG1 2.800 . 3.000 2.239 1.792 2.785 0.008 22 0 "[ . 1 . 2 . 3]" 1
503 1 38 ARG H 1 51 VAL MG2 4.200 . 5.000 2.404 1.776 4.523 0.024 4 0 "[ . 1 . 2 . 3]" 1
504 1 38 ARG H 1 51 VAL HB 4.200 . 5.000 4.042 2.092 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 38 ARG H 1 53 GLY QA 4.200 . 5.000 3.556 3.260 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 38 ARG HA 1 46 LEU H 2.800 . 3.000 3.053 2.929 3.133 0.133 12 0 "[ . 1 . 2 . 3]" 1
507 1 38 ARG HA 1 48 ASP H 4.200 . 5.000 2.818 2.310 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 38 ARG HA 1 39 VAL MG1 4.200 . 5.000 4.848 3.989 5.120 0.120 23 0 "[ . 1 . 2 . 3]" 1
509 1 38 ARG HA 1 39 VAL H 3.700 . 4.200 3.419 2.339 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 38 ARG HA 1 51 VAL MG1 4.200 . 5.000 2.769 1.996 4.131 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 38 ARG HA 1 51 VAL MG2 4.200 . 5.000 3.901 2.527 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 38 ARG QB 1 54 LYS HA 4.200 . 5.000 4.619 4.220 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 38 ARG QB 1 54 LYS QG 4.200 . 5.000 5.044 4.818 5.144 0.144 30 0 "[ . 1 . 2 . 3]" 1
514 1 38 ARG QB 1 53 GLY QA 4.200 . 5.000 2.742 2.196 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 38 ARG QB 1 39 VAL MG1 4.200 . 5.000 3.168 2.810 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 38 ARG QB 1 39 VAL H 4.200 . 5.000 2.009 1.673 2.954 0.127 27 0 "[ . 1 . 2 . 3]" 1
517 1 38 ARG QG 1 39 VAL QG 4.200 . 5.000 3.337 2.773 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 38 ARG QG 1 47 LYS H 3.700 . 4.200 4.141 3.937 4.255 0.055 30 0 "[ . 1 . 2 . 3]" 1
519 1 38 ARG QG 1 48 ASP QB 4.200 . 5.000 3.906 3.091 4.690 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 38 ARG QG 1 48 ASP H 4.200 . 5.000 2.550 1.880 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 38 ARG QG 1 49 SER QB 4.200 . 5.000 5.174 5.104 5.255 0.255 27 0 "[ . 1 . 2 . 3]" 1
522 1 38 ARG QG 1 39 VAL H 2.800 . 3.000 3.015 2.785 3.247 0.247 27 0 "[ . 1 . 2 . 3]" 1
523 1 38 ARG QG 1 39 VAL MG1 4.200 . 5.000 3.461 2.796 4.372 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 38 ARG QG 1 51 VAL H 4.200 . 5.000 4.250 3.511 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 38 ARG QG 1 51 VAL MG2 4.200 . 5.000 4.237 2.890 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 38 ARG QD 1 49 SER HA 4.200 . 5.000 4.006 2.782 5.006 0.006 29 0 "[ . 1 . 2 . 3]" 1
527 1 38 ARG QD 1 51 VAL MG2 4.200 . 5.000 4.442 3.062 5.143 0.143 23 0 "[ . 1 . 2 . 3]" 1
528 1 38 ARG QD 1 51 VAL MG1 4.200 . 5.000 3.854 2.945 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 38 ARG QD 1 39 VAL MG1 4.200 . 5.000 2.439 1.791 5.047 0.047 27 0 "[ . 1 . 2 . 3]" 1
530 1 39 VAL HA 1 45 ALA MB 4.200 . 5.000 4.148 3.063 5.000 0.000 18 0 "[ . 1 . 2 . 3]" 1
531 1 41 PRO HA 1 42 SER H 4.200 . 5.000 3.217 2.810 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 42 SER H 1 43 ASP H 4.200 . 5.000 4.579 4.291 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 42 SER HA 1 43 ASP H 2.800 . 3.000 2.472 2.210 2.966 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 42 SER HA 1 44 LEU H 4.200 . 5.000 4.322 3.978 4.747 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 42 SER QB 1 44 LEU H 2.800 . 3.000 2.672 2.323 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 42 SER QB 1 43 ASP H 2.800 . 3.000 2.444 1.877 3.007 0.007 16 0 "[ . 1 . 2 . 3]" 1
537 1 42 SER QB 1 45 ALA HA 4.200 . 5.000 4.135 3.667 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 42 SER QB 1 45 ALA MB 4.200 . 5.000 4.932 4.569 5.086 0.086 17 0 "[ . 1 . 2 . 3]" 1
539 1 43 ASP H 1 44 LEU H 2.800 . 3.000 2.284 1.810 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 43 ASP H 1 44 LEU QB 4.200 . 5.000 4.222 3.780 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 43 ASP HA 1 44 LEU H 3.700 . 4.200 3.516 3.476 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 43 ASP QB 1 44 LEU MD1 4.200 . 5.000 4.840 3.485 5.098 0.098 15 0 "[ . 1 . 2 . 3]" 1
543 1 43 ASP QB 1 44 LEU H 2.800 . 3.000 2.821 2.641 2.994 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 44 LEU H 1 45 ALA H 4.200 . 5.000 4.410 4.340 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 44 LEU QB 1 46 LEU MD1 4.200 . 5.000 3.573 2.971 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 44 LEU QB 1 45 ALA H 3.700 . 4.200 3.250 3.003 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 44 LEU QB 1 46 LEU H 4.200 . 5.000 3.674 3.372 3.948 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 44 LEU MD1 1 45 ALA H 4.200 . 5.000 4.357 3.388 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 44 LEU MD1 1 46 LEU MD1 4.200 . 5.000 3.301 2.719 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 44 LEU MD2 1 45 ALA H 4.200 . 5.000 2.991 2.437 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 44 LEU MD2 1 46 LEU MD1 4.200 . 5.000 3.930 3.086 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 44 LEU HA 1 46 LEU MD1 4.200 . 5.000 5.103 4.877 5.228 0.228 28 0 "[ . 1 . 2 . 3]" 1
553 1 45 ALA H 1 46 LEU H 4.200 . 5.000 3.887 3.691 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 45 ALA HA 1 46 LEU H 2.800 . 3.000 2.339 2.266 2.426 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 45 ALA HA 1 47 LYS H 4.200 . 5.000 4.443 3.876 5.013 0.013 10 0 "[ . 1 . 2 . 3]" 1
556 1 45 ALA HA 1 46 LEU MD1 4.200 . 5.000 4.901 4.592 5.130 0.130 18 0 "[ . 1 . 2 . 3]" 1
557 1 45 ALA MB 1 47 LYS H 4.200 . 5.000 3.886 3.284 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 45 ALA MB 1 46 LEU H 3.700 . 4.200 3.654 3.601 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 45 ALA MB 1 46 LEU MD1 4.200 . 5.000 4.384 4.080 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 45 ALA MB 1 46 LEU MD2 4.200 . 5.000 3.937 3.577 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 46 LEU H 1 48 ASP H 4.200 . 5.000 4.738 4.577 4.976 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 46 LEU H 1 47 LYS H 3.700 . 4.200 3.700 3.284 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 46 LEU HA 1 47 LYS H 3.700 . 4.200 2.354 2.202 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 46 LEU HA 1 47 LYS QG 3.700 . 4.200 3.722 3.559 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 46 LEU HA 1 48 ASP H 4.200 . 5.000 4.116 3.471 4.663 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 46 LEU MD2 1 47 LYS H 4.200 . 5.000 4.640 4.408 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 45 ALA H 1 46 LEU MD2 2.800 . 3.000 3.087 2.799 3.156 0.156 16 0 "[ . 1 . 2 . 3]" 1
568 1 44 LEU QB 1 46 LEU MD2 2.800 . 3.000 1.689 1.606 1.777 0.194 16 0 "[ . 1 . 2 . 3]" 1
569 1 44 LEU MD1 1 46 LEU MD2 2.800 . 3.000 2.037 1.681 3.228 0.228 18 0 "[ . 1 . 2 . 3]" 1
570 1 47 LYS H 1 48 ASP H 3.700 . 4.200 3.611 3.125 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 47 LYS HA 1 48 ASP H 2.800 . 3.000 2.658 2.401 3.062 0.062 12 0 "[ . 1 . 2 . 3]" 1
572 1 47 LYS QB 1 48 ASP H 3.700 . 4.200 3.998 3.888 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 48 ASP H 1 49 SER H 4.200 . 5.000 4.471 4.371 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 48 ASP H 1 51 VAL MG2 4.200 . 5.000 4.641 2.208 5.150 0.150 21 0 "[ . 1 . 2 . 3]" 1
575 1 48 ASP HA 1 49 SER H 2.800 . 3.000 2.217 2.127 2.492 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 48 ASP HA 1 50 GLU H 3.700 . 4.200 3.771 3.514 4.227 0.027 27 0 "[ . 1 . 2 . 3]" 1
577 1 48 ASP QB 1 50 GLU QB 4.200 . 5.000 3.730 2.987 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 48 ASP QB 1 50 GLU H 2.800 . 3.000 2.729 2.169 3.095 0.095 26 0 "[ . 1 . 2 . 3]" 1
579 1 48 ASP QB 1 49 SER H 4.200 . 5.000 3.410 2.517 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 48 ASP QB 1 51 VAL H 4.200 . 5.000 2.731 2.347 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 48 ASP QB 1 51 VAL MG2 4.200 . 5.000 3.969 1.888 5.101 0.101 25 0 "[ . 1 . 2 . 3]" 1
582 1 48 ASP QB 1 113 THR MG 4.200 . 5.000 3.706 2.897 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 49 SER H 1 50 GLU H 3.700 . 4.200 2.689 2.326 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 49 SER HA 1 50 GLU H 3.700 . 4.200 3.406 3.297 3.531 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 49 SER HA 1 51 VAL H 3.700 . 4.200 3.975 3.703 4.311 0.111 23 0 "[ . 1 . 2 . 3]" 1
586 1 50 GLU H 1 51 VAL H 2.800 . 3.000 2.476 1.948 3.426 0.426 23 0 "[ . 1 . 2 . 3]" 1
587 1 50 GLU H 1 51 VAL MG1 4.200 . 5.000 4.088 3.424 5.482 0.482 27 0 "[ . 1 . 2 . 3]" 1
588 1 50 GLU HA 1 51 VAL H 4.200 . 5.000 3.425 2.253 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 50 GLU QB 1 111 THR H 4.200 . 5.000 3.402 2.423 4.426 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 50 GLU QB 1 110 GLY QA 4.200 . 5.000 2.579 1.802 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 50 GLU QG 1 51 VAL H 4.200 . 5.000 2.986 1.831 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 50 GLU QG 1 51 VAL HB 4.200 . 5.000 4.312 2.921 5.127 0.127 6 0 "[ . 1 . 2 . 3]" 1
593 1 51 VAL HA 1 55 HIS HD1 4.200 . 5.000 2.291 1.795 3.027 0.005 1 0 "[ . 1 . 2 . 3]" 1
594 1 51 VAL HA 1 55 HIS H 4.200 . 5.000 5.130 5.031 5.267 0.267 27 0 "[ . 1 . 2 . 3]" 1
595 1 51 VAL HB 1 56 ALA H 4.200 . 5.000 4.594 3.806 5.147 0.147 4 0 "[ . 1 . 2 . 3]" 1
596 1 51 VAL HB 1 58 ILE H 4.200 . 5.000 3.528 1.789 4.256 0.011 9 0 "[ . 1 . 2 . 3]" 1
597 1 51 VAL MG1 1 55 HIS HD1 4.200 . 5.000 3.379 1.810 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 51 VAL MG1 1 55 HIS QB 4.200 . 5.000 3.124 1.759 3.625 0.041 20 0 "[ . 1 . 2 . 3]" 1
599 1 51 VAL MG1 1 55 HIS H 3.700 . 4.200 3.832 2.329 4.292 0.092 17 0 "[ . 1 . 2 . 3]" 1
600 1 51 VAL MG1 1 109 LEU MD2 4.200 . 5.000 3.977 2.882 5.183 0.183 10 0 "[ . 1 . 2 . 3]" 1
601 1 51 VAL MG1 1 52 SER HA 4.200 . 5.000 4.669 4.329 5.215 0.215 20 0 "[ . 1 . 2 . 3]" 1
602 1 51 VAL MG2 1 55 HIS QB 4.200 . 5.000 2.269 1.790 3.840 0.010 27 0 "[ . 1 . 2 . 3]" 1
603 1 51 VAL MG2 1 109 LEU QB 4.200 . 5.000 4.093 2.610 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 53 GLY QA 1 54 LYS H 3.700 . 4.200 2.547 2.218 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 54 LYS H 1 55 HIS H 3.700 . 4.200 4.194 4.115 4.236 0.036 21 0 "[ . 1 . 2 . 3]" 1
606 1 54 LYS HA 1 55 HIS H 3.700 . 4.200 2.122 2.073 2.155 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 54 LYS HA 1 56 ALA H 3.700 . 4.200 4.287 4.197 4.399 0.199 23 0 "[ . 1 . 2 . 3]" 1
608 1 54 LYS QB 1 55 HIS H 3.700 . 4.200 3.116 2.934 3.431 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 54 LYS QB 1 72 MET ME 4.200 . 5.000 3.355 2.235 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 54 LYS QD 1 72 MET QG 4.200 . 5.000 3.421 2.356 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 54 LYS QD 1 72 MET ME 4.200 . 5.000 3.658 2.203 5.094 0.094 30 0 "[ . 1 . 2 . 3]" 1
612 1 54 LYS QG 1 55 HIS H 4.200 . 5.000 4.140 3.381 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 54 LYS QG 1 72 MET ME 4.200 . 5.000 4.635 3.687 5.164 0.164 22 0 "[ . 1 . 2 . 3]" 1
614 1 54 LYS QE 1 72 MET ME 4.200 . 5.000 4.203 2.973 5.015 0.015 27 0 "[ . 1 . 2 . 3]" 1
615 1 55 HIS H 1 56 ALA H 2.800 . 3.000 2.423 2.308 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 55 HIS HA 1 56 ALA H 3.700 . 4.200 3.575 3.547 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 55 HIS QB 1 56 ALA H 2.800 . 3.000 2.277 2.050 2.489 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 55 HIS QB 1 109 LEU MD2 4.200 . 5.000 3.044 1.775 3.797 0.025 16 0 "[ . 1 . 2 . 3]" 1
619 1 56 ALA HA 1 57 GLN H 2.800 . 3.000 2.428 2.208 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 56 ALA HA 1 72 MET H 3.700 . 4.200 2.343 1.932 3.395 0.068 23 0 "[ . 1 . 2 . 3]" 1
621 1 56 ALA HA 1 72 MET QB 4.200 . 5.000 3.317 2.409 5.002 0.002 15 0 "[ . 1 . 2 . 3]" 1
622 1 56 ALA HA 1 72 MET QG 4.200 . 5.000 3.927 2.319 5.033 0.033 27 0 "[ . 1 . 2 . 3]" 1
623 1 56 ALA HA 1 71 ASP HA 4.200 . 5.000 2.445 1.782 2.666 0.018 21 0 "[ . 1 . 2 . 3]" 1
624 1 56 ALA H 1 57 GLN H 4.200 . 5.000 4.411 4.379 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 56 ALA H 1 109 LEU MD2 4.200 . 5.000 4.481 2.359 5.087 0.087 14 0 "[ . 1 . 2 . 3]" 1
626 1 56 ALA MB 1 109 LEU MD1 4.200 . 5.000 3.200 2.441 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 56 ALA MB 1 109 LEU MD2 4.200 . 5.000 4.043 1.734 5.003 0.066 20 0 "[ . 1 . 2 . 3]" 1
628 1 56 ALA MB 1 107 ILE MD 4.200 . 5.000 3.209 2.376 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 56 ALA MB 1 71 ASP HA 4.200 . 5.000 2.599 2.229 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 56 ALA MB 1 72 MET H 4.200 . 5.000 3.546 3.170 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 56 ALA MB 1 57 GLN HA 4.200 . 5.000 3.755 3.618 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 57 GLN H 1 58 ILE H 4.200 . 5.000 4.367 4.320 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 57 GLN H 1 70 VAL H 2.800 . 3.000 2.745 2.432 3.050 0.050 10 0 "[ . 1 . 2 . 3]" 1
634 1 57 GLN H 1 71 ASP HA 3.700 . 4.200 3.969 3.511 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 57 GLN H 1 57 GLN QG 4.200 . 5.000 2.792 2.008 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 56 ALA MB 1 57 GLN H 2.800 . 3.000 2.253 2.015 2.759 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 57 GLN H 1 70 VAL MG1 4.200 . 5.000 3.085 2.468 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 57 GLN H 1 69 LEU MD1 4.200 . 5.000 3.538 2.091 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 57 GLN HA 1 69 LEU MD2 4.200 . 5.000 5.146 4.160 5.297 0.297 26 0 "[ . 1 . 2 . 3]" 1
640 1 57 GLN QB 1 58 ILE H 4.200 . 5.000 2.429 1.929 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 57 GLN QB 1 69 LEU HA 4.200 . 5.000 4.992 4.687 5.214 0.214 12 0 "[ . 1 . 2 . 3]" 1
642 1 57 GLN QB 1 70 VAL MG1 4.200 . 5.000 3.304 2.139 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 57 GLN QG 1 58 ILE H 4.200 . 5.000 3.528 1.789 4.257 0.011 9 0 "[ . 1 . 2 . 3]" 1
644 1 57 GLN QG 1 70 VAL MG1 4.200 . 5.000 2.589 1.761 4.550 0.039 20 0 "[ . 1 . 2 . 3]" 1
645 1 58 ILE HA 1 59 THR H 2.800 . 3.000 2.196 2.131 2.237 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 58 ILE HA 1 59 THR MG 4.200 . 5.000 3.194 3.121 3.294 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 58 ILE HA 1 70 VAL H 3.700 . 4.200 3.503 3.302 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 58 ILE HA 1 68 GLU H 4.200 . 5.000 5.014 4.754 5.119 0.119 16 0 "[ . 1 . 2 . 3]" 1
649 1 58 ILE HA 1 69 LEU HA 4.200 . 5.000 2.015 1.784 2.558 0.016 8 0 "[ . 1 . 2 . 3]" 1
650 1 58 ILE HA 1 69 LEU MD2 4.200 . 5.000 4.296 3.070 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 58 ILE HA 1 69 LEU MD1 4.200 . 5.000 4.273 1.748 4.859 0.052 16 0 "[ . 1 . 2 . 3]" 1
652 1 58 ILE HB 1 59 THR H 4.200 . 5.000 3.725 3.555 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 8 LEU MD1 1 58 ILE QG 4.200 . 5.000 5.026 4.823 5.119 0.119 10 0 "[ . 1 . 2 . 3]" 1
654 1 58 ILE QG 1 69 LEU MD2 4.200 . 5.000 2.623 1.749 3.312 0.051 22 0 "[ . 1 . 2 . 3]" 1
655 1 58 ILE QG 1 69 LEU MD1 4.200 . 5.000 3.698 1.712 4.363 0.088 16 0 "[ . 1 . 2 . 3]" 1
656 1 58 ILE QG 1 101 LEU MD1 4.200 . 5.000 3.077 1.916 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 58 ILE QG 1 107 ILE MD 4.200 . 5.000 4.150 3.217 5.100 0.100 15 0 "[ . 1 . 2 . 3]" 1
658 1 58 ILE MG 1 68 GLU H 4.200 . 5.000 3.434 2.921 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 58 ILE MG 1 59 THR H 2.800 . 3.000 2.067 1.884 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 58 ILE MD 1 117 VAL MG2 4.200 . 5.000 3.963 2.925 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 58 ILE MD 1 69 LEU HA 4.200 . 5.000 4.689 4.120 5.045 0.045 14 0 "[ . 1 . 2 . 3]" 1
662 1 58 ILE MD 1 69 LEU MD1 4.200 . 5.000 4.552 1.805 5.049 0.049 3 0 "[ . 1 . 2 . 3]" 1
663 1 58 ILE MD 1 69 LEU MD2 4.200 . 5.000 2.883 1.769 3.212 0.031 12 0 "[ . 1 . 2 . 3]" 1
664 1 58 ILE MD 1 69 LEU HG 4.200 . 5.000 4.719 3.954 5.033 0.033 2 0 "[ . 1 . 2 . 3]" 1
665 1 58 ILE MG 1 60 TRP HE3 3.700 . 4.200 3.084 2.435 3.833 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 58 ILE MG 1 60 TRP HZ3 4.200 . 5.000 3.635 2.962 4.606 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 58 ILE MG 1 67 TRP QB 4.200 . 5.000 3.308 3.108 3.545 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 58 ILE MG 1 67 TRP HA 4.200 . 5.000 4.097 3.669 4.393 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 59 THR HA 1 60 TRP H 2.800 . 3.000 2.325 2.148 2.462 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 59 THR H 1 60 TRP H 4.200 . 5.000 4.239 3.999 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 59 THR H 1 60 TRP HE3 4.200 . 5.000 4.582 4.008 5.053 0.053 26 0 "[ . 1 . 2 . 3]" 1
672 1 59 THR H 1 69 LEU HA 4.200 . 5.000 3.200 2.870 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 59 THR H 1 70 VAL H 4.200 . 5.000 4.963 4.614 5.084 0.084 7 0 "[ . 1 . 2 . 3]" 1
674 1 59 THR HB 1 60 TRP H 4.200 . 5.000 3.619 3.327 3.959 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 59 THR MG 1 60 TRP H 4.200 . 5.000 4.075 3.871 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 60 TRP HA 1 61 ASN H 2.800 . 3.000 2.292 2.127 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 60 TRP HA 1 68 GLU H 3.700 . 4.200 2.913 2.343 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 60 TRP HA 1 67 TRP HA 4.200 . 5.000 2.574 2.202 3.378 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 60 TRP QB 1 61 ASN H 3.700 . 4.200 2.534 2.223 3.703 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 60 TRP QB 1 61 ASN QB 4.200 . 5.000 4.498 4.032 5.068 0.068 24 0 "[ . 1 . 2 . 3]" 1
681 1 60 TRP HD1 1 62 SER QB 4.200 . 5.000 3.779 3.043 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 60 TRP HD1 1 62 SER H 4.200 . 5.000 3.772 3.387 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 60 TRP HE3 1 67 TRP HA 4.200 . 5.000 4.036 3.332 4.671 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 60 TRP HE3 1 67 TRP QB 4.200 . 5.000 3.321 2.362 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 61 ASN H 1 66 LYS H 3.700 . 4.200 3.027 2.547 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 61 ASN H 1 68 GLU H 3.700 . 4.500 4.485 4.007 4.602 0.102 30 0 "[ . 1 . 2 . 3]" 1
687 1 61 ASN H 1 67 TRP HA 4.200 . 5.000 3.528 3.291 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 61 ASN H 1 62 SER H 3.700 . 4.500 4.158 3.328 4.512 0.012 25 0 "[ . 1 . 2 . 3]" 1
689 1 61 ASN H 1 65 PHE HA 4.200 . 5.000 4.749 4.303 5.031 0.031 24 0 "[ . 1 . 2 . 3]" 1
690 1 61 ASN HA 1 62 SER H 2.800 . 3.000 2.206 2.096 2.454 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 61 ASN HA 1 62 SER QB 4.200 . 5.000 4.366 3.960 4.895 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 61 ASN HA 1 62 SER HA 4.200 . 5.000 4.416 4.341 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 61 ASN HA 1 63 THR H 3.700 . 4.200 3.491 3.301 3.601 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 61 ASN QB 1 64 LYS H 4.200 . 5.000 2.921 2.483 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 61 ASN QB 1 66 LYS H 3.700 . 4.200 3.042 1.994 4.172 0.006 6 0 "[ . 1 . 2 . 3]" 1
696 1 61 ASN QB 1 64 LYS QB 4.200 . 5.000 3.189 1.872 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 61 ASN QB 1 62 SER HA 4.200 . 5.000 4.512 4.347 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 61 ASN QB 1 68 GLU QG 4.200 . 5.000 4.262 2.552 5.066 0.066 29 0 "[ . 1 . 2 . 3]" 1
699 1 62 SER H 1 63 THR H 2.800 . 3.000 2.504 2.147 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 62 SER H 1 64 LYS H 4.200 . 5.000 4.252 3.583 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 62 SER H 1 63 THR HB 4.200 . 5.000 4.907 4.654 5.061 0.061 21 0 "[ . 1 . 2 . 3]" 1
702 1 62 SER HA 1 63 THR H 3.700 . 4.200 3.308 3.203 3.463 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 62 SER HA 1 65 PHE H 3.700 . 4.200 2.862 2.626 3.307 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 62 SER HA 1 65 PHE HA 4.200 . 5.000 2.748 2.265 3.113 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 62 SER HA 1 65 PHE QB 4.200 . 5.000 3.929 3.509 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 62 SER QB 1 63 THR H 4.200 . 5.000 3.510 2.807 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 63 THR H 1 64 LYS H 2.800 . 3.000 2.308 2.257 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 63 THR H 1 64 LYS HA 4.200 . 5.000 5.069 5.027 5.148 0.148 13 0 "[ . 1 . 2 . 3]" 1
709 1 63 THR H 1 64 LYS QB 4.200 . 5.000 4.313 4.176 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 63 THR H 1 65 PHE H 3.700 . 4.200 3.458 3.174 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 63 THR HA 1 64 LYS H 3.700 . 4.200 3.435 3.380 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 63 THR HA 1 65 PHE H 4.200 . 5.000 4.199 3.891 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 63 THR HB 1 64 LYS H 2.800 . 3.000 2.816 2.378 3.019 0.019 3 0 "[ . 1 . 2 . 3]" 1
714 1 63 THR HB 1 65 PHE H 4.200 . 5.000 4.760 4.389 5.002 0.002 13 0 "[ . 1 . 2 . 3]" 1
715 1 63 THR MG 1 64 LYS H 4.200 . 5.000 3.843 3.576 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 63 THR MG 1 64 LYS HA 4.200 . 5.000 4.323 3.908 4.688 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 64 LYS H 1 65 PHE H 2.800 . 3.000 2.090 1.931 2.282 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 64 LYS H 1 66 LYS H 4.200 . 5.000 3.643 3.445 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 64 LYS H 1 65 PHE HA 3.700 . 4.200 4.088 3.901 4.273 0.073 21 0 "[ . 1 . 2 . 3]" 1
720 1 64 LYS HA 1 65 PHE H 3.700 . 4.200 3.130 3.009 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 64 LYS HA 1 66 LYS QB 4.200 . 5.000 4.904 4.468 5.092 0.092 24 0 "[ . 1 . 2 . 3]" 1
722 1 64 LYS QB 1 65 PHE H 4.200 . 5.000 3.595 3.348 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 64 LYS QB 1 66 LYS H 4.200 . 5.000 3.646 2.939 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 64 LYS QB 1 66 LYS QG 4.200 . 5.000 3.666 1.810 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 64 LYS QB 1 66 LYS QB 4.200 . 5.000 2.675 2.270 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 64 LYS QB 1 66 LYS QD 4.200 . 5.000 2.891 1.790 4.132 0.010 23 0 "[ . 1 . 2 . 3]" 1
727 1 64 LYS QB 1 66 LYS QE 4.200 . 5.000 3.771 2.025 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 64 LYS QG 1 65 PHE H 4.200 . 5.000 4.573 4.295 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 64 LYS QG 1 65 PHE HZ 4.200 . 5.000 4.505 3.907 5.026 0.026 24 0 "[ . 1 . 2 . 3]" 1
730 1 64 LYS QD 1 65 PHE HZ 4.200 . 5.000 4.507 3.238 5.026 0.026 25 0 "[ . 1 . 2 . 3]" 1
731 1 64 LYS QE 1 65 PHE HZ 4.200 . 5.000 3.989 2.620 4.767 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 65 PHE H 1 66 LYS H 2.800 . 3.000 3.066 2.952 3.170 0.170 6 0 "[ . 1 . 2 . 3]" 1
733 1 65 PHE H 1 66 LYS QB 4.200 . 5.000 4.545 4.312 5.122 0.122 24 0 "[ . 1 . 2 . 3]" 1
734 1 65 PHE H 1 66 LYS QD 4.200 . 5.000 4.676 4.356 5.166 0.166 28 0 "[ . 1 . 2 . 3]" 1
735 1 65 PHE HA 1 66 LYS H 2.800 . 3.000 2.527 2.279 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 65 PHE HA 1 66 LYS HA 4.200 . 5.000 4.365 4.301 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 65 PHE QB 1 66 LYS H 4.200 . 5.000 3.952 3.845 4.067 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 66 LYS H 1 67 TRP H 4.200 . 5.000 4.356 4.322 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 66 LYS HA 1 67 TRP H 2.800 . 3.000 2.214 2.117 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 66 LYS QB 1 67 TRP H 2.800 . 3.000 2.968 2.234 3.198 0.198 2 0 "[ . 1 . 2 . 3]" 1
741 1 66 LYS QB 1 68 GLU QG 4.200 . 5.000 3.859 2.615 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 66 LYS QB 1 100 GLU QG 4.200 . 5.000 3.864 2.316 5.074 0.074 16 0 "[ . 1 . 2 . 3]" 1
743 1 66 LYS QB 1 100 GLU QB 4.200 . 5.000 3.885 2.919 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 66 LYS QD 1 67 TRP H 3.700 . 4.200 3.937 3.250 4.228 0.028 8 0 "[ . 1 . 2 . 3]" 1
745 1 66 LYS QD 1 100 GLU QB 4.200 . 5.000 4.698 3.580 5.118 0.118 1 0 "[ . 1 . 2 . 3]" 1
746 1 66 LYS QD 1 100 GLU QG 4.200 . 5.000 4.401 2.738 5.060 0.060 22 0 "[ . 1 . 2 . 3]" 1
747 1 66 LYS QG 1 67 TRP H 3.700 . 4.200 2.970 2.294 4.388 0.188 28 0 "[ . 1 . 2 . 3]" 1
748 1 66 LYS QG 1 100 GLU QG 4.200 . 5.000 2.969 1.857 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 67 TRP H 1 68 GLU H 4.200 . 5.000 4.219 3.987 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 67 TRP H 1 68 GLU QG 4.200 . 5.000 4.256 3.370 5.088 0.088 30 0 "[ . 1 . 2 . 3]" 1
751 1 67 TRP H 1 101 LEU H 4.200 . 5.000 4.522 3.812 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 67 TRP H 1 119 ILE MD 4.200 . 5.000 4.927 4.512 5.113 0.113 9 0 "[ . 1 . 2 . 3]" 1
753 1 67 TRP HE1 1 119 ILE MG 4.200 . 5.000 3.935 3.341 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 67 TRP HE1 1 119 ILE MD 4.200 . 5.000 4.461 3.786 5.054 0.054 10 0 "[ . 1 . 2 . 3]" 1
755 1 67 TRP HA 1 68 GLU H 3.700 . 4.200 2.142 2.083 2.199 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 67 TRP HA 1 68 GLU HA 4.200 . 5.000 4.345 4.307 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 67 TRP HA 1 101 LEU MD1 4.200 . 5.000 3.830 3.499 5.184 0.184 30 0 "[ . 1 . 2 . 3]" 1
758 1 67 TRP QB 1 68 GLU H 3.700 . 4.200 3.388 3.229 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 67 TRP QB 1 119 ILE MD 4.200 . 5.000 2.869 2.459 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 67 TRP QB 1 101 LEU MD1 4.200 . 5.000 2.466 2.110 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 67 TRP QB 1 101 LEU HG 4.200 . 5.000 4.089 3.735 5.082 0.082 30 0 "[ . 1 . 2 . 3]" 1
762 1 67 TRP HZ3 1 101 LEU MD2 4.200 . 5.000 4.177 3.369 5.148 0.148 11 0 "[ . 1 . 2 . 3]" 1
763 1 68 GLU H 1 69 LEU H 3.700 . 4.200 4.343 4.248 4.401 0.201 6 0 "[ . 1 . 2 . 3]" 1
764 1 68 GLU H 1 101 LEU MD1 3.700 . 4.200 3.392 2.863 4.408 0.208 30 0 "[ . 1 . 2 . 3]" 1
765 1 68 GLU HA 1 69 LEU H 2.800 . 3.000 2.121 2.059 2.197 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 68 GLU HA 1 100 GLU H 4.200 . 5.000 4.068 3.899 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 68 GLU HA 1 100 GLU HA 4.200 . 5.000 1.839 1.752 2.098 0.048 22 0 "[ . 1 . 2 . 3]" 1
768 1 68 GLU HA 1 101 LEU H 2.800 . 3.000 2.757 2.187 3.038 0.038 17 0 "[ . 1 . 2 . 3]" 1
769 1 68 GLU QB 1 100 GLU H 4.200 . 5.000 3.613 3.004 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 68 GLU QB 1 69 LEU H 4.200 . 5.000 2.732 2.577 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 68 GLU QG 1 69 LEU H 4.200 . 5.000 4.120 3.380 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 68 GLU QG 1 98 PRO QB 4.200 . 5.000 2.601 1.872 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 68 GLU QG 1 98 PRO QG 4.200 . 5.000 4.007 3.026 5.086 0.086 30 0 "[ . 1 . 2 . 3]" 1
774 1 68 GLU QG 1 100 GLU HA 4.200 . 5.000 3.608 1.983 4.603 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 69 LEU H 1 70 VAL H 4.200 . 5.000 4.548 4.414 4.624 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 69 LEU H 1 100 GLU HA 4.200 . 5.000 3.413 3.184 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 69 LEU H 1 101 LEU H 3.700 . 4.200 3.970 3.407 4.250 0.050 23 0 "[ . 1 . 2 . 3]" 1
778 1 69 LEU QB 1 70 VAL H 4.200 . 5.000 2.823 2.468 3.883 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 69 LEU QB 1 99 VAL H 4.200 . 5.000 4.280 3.638 4.975 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 69 LEU QB 1 99 VAL MG1 4.200 . 5.000 5.022 4.197 5.256 0.256 13 0 "[ . 1 . 2 . 3]" 1
781 1 69 LEU QB 1 99 VAL MG2 4.200 . 5.000 5.076 4.303 5.319 0.319 17 0 "[ . 1 . 2 . 3]" 1
782 1 69 LEU QB 1 80 VAL MG2 4.200 . 5.000 4.036 2.110 4.833 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 69 LEU QB 1 101 LEU MD1 4.200 . 5.000 2.487 1.764 2.812 0.036 30 0 "[ . 1 . 2 . 3]" 1
784 1 69 LEU QB 1 101 LEU MD2 4.200 . 5.000 4.878 3.758 5.125 0.125 25 0 "[ . 1 . 2 . 3]" 1
785 1 69 LEU QB 1 101 LEU HG 4.200 . 5.000 4.149 2.574 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 69 LEU MD2 1 101 LEU MD1 2.800 . 3.000 2.631 1.866 3.042 0.042 18 0 "[ . 1 . 2 . 3]" 1
787 1 69 LEU MD2 1 101 LEU MD2 4.200 . 5.000 4.301 2.390 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 69 LEU MD2 1 70 VAL H 4.200 . 5.000 4.519 4.229 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 69 LEU MD2 1 80 VAL HA 4.200 . 5.000 4.637 4.095 5.144 0.144 22 0 "[ . 1 . 2 . 3]" 1
790 1 69 LEU MD2 1 80 VAL MG1 4.200 . 5.000 3.612 3.172 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 69 LEU MD2 1 80 VAL MG2 4.200 . 5.000 2.403 1.911 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 69 LEU MD2 1 107 ILE MG 4.200 . 5.000 2.932 1.777 3.897 0.023 1 0 "[ . 1 . 2 . 3]" 1
793 1 69 LEU MD1 1 70 VAL H 2.800 . 3.000 2.852 1.816 3.239 0.239 16 0 "[ . 1 . 2 . 3]" 1
794 1 69 LEU MD1 1 107 ILE MG 4.200 . 5.000 4.136 2.686 5.067 0.067 5 0 "[ . 1 . 2 . 3]" 1
795 1 69 LEU HG 1 101 LEU MD1 4.200 . 5.000 3.194 2.624 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 69 LEU HG 1 101 LEU QB 4.200 . 5.000 3.787 3.153 5.218 0.218 30 0 "[ . 1 . 2 . 3]" 1
797 1 69 LEU HG 1 101 LEU HG 4.200 . 5.000 4.924 2.992 5.160 0.160 16 0 "[ . 1 . 2 . 3]" 1
798 1 69 LEU HG 1 80 VAL MG2 4.200 . 5.000 3.305 2.385 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 69 LEU HA 1 70 VAL H 2.800 . 3.000 2.328 2.267 2.380 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 69 LEU HA 1 70 VAL MG1 4.200 . 5.000 4.230 3.938 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 70 VAL H 1 71 ASP H 4.200 . 5.000 4.485 4.431 4.523 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 70 VAL HA 1 71 ASP H 2.800 . 3.000 2.437 2.363 2.506 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 70 VAL HA 1 99 VAL H 3.700 . 4.200 3.548 3.308 3.891 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 70 VAL HB 1 99 VAL H 4.200 . 5.000 4.766 3.773 5.117 0.117 21 0 "[ . 1 . 2 . 3]" 1
805 1 70 VAL HB 1 71 ASP H 4.200 . 5.000 3.979 3.886 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 70 VAL HB 1 98 PRO HA 4.200 . 5.000 3.098 2.303 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 70 VAL HB 1 98 PRO QB 4.200 . 5.000 3.686 2.680 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 70 VAL HB 1 98 PRO QG 4.200 . 5.000 3.293 2.812 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 70 VAL MG1 1 71 ASP H 2.800 . 3.000 3.023 2.850 3.156 0.156 27 0 "[ . 1 . 2 . 3]" 1
810 1 70 VAL MG1 1 72 MET QG 4.200 . 5.000 3.922 2.745 5.142 0.142 10 0 "[ . 1 . 2 . 3]" 1
811 1 70 VAL MG1 1 72 MET ME 4.200 . 5.000 4.419 1.749 5.140 0.140 18 0 "[ . 1 . 2 . 3]" 1
812 1 70 VAL MG1 1 95 TRP HE3 4.200 . 5.000 4.154 1.921 5.027 0.027 25 0 "[ . 1 . 2 . 3]" 1
813 1 70 VAL MG1 1 95 TRP HZ3 4.200 . 5.000 4.215 1.922 5.155 0.155 9 0 "[ . 1 . 2 . 3]" 1
814 1 70 VAL MG1 1 98 PRO QD 4.200 . 5.000 4.720 4.076 5.026 0.026 27 0 "[ . 1 . 2 . 3]" 1
815 1 70 VAL MG1 1 98 PRO QG 4.200 . 5.000 4.370 3.615 5.024 0.024 23 0 "[ . 1 . 2 . 3]" 1
816 1 70 VAL MG2 1 71 ASP H 4.200 . 5.000 2.018 1.805 2.542 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 70 VAL MG2 1 99 VAL H 4.200 . 5.000 4.483 3.724 5.003 0.003 5 0 "[ . 1 . 2 . 3]" 1
818 1 70 VAL MG2 1 96 GLY H 4.200 . 5.000 4.375 4.040 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 70 VAL MG2 1 95 TRP QB 4.200 . 5.000 3.355 1.688 4.156 0.112 19 0 "[ . 1 . 2 . 3]" 1
820 1 70 VAL MG2 1 98 PRO QG 4.200 . 5.000 3.090 2.214 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 70 VAL MG2 1 98 PRO HA 4.200 . 5.000 3.078 2.613 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 70 VAL MG2 1 98 PRO QB 4.200 . 5.000 3.969 3.155 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 70 VAL MG2 1 98 PRO QD 4.200 . 5.000 2.631 1.796 3.051 0.004 30 0 "[ . 1 . 2 . 3]" 1
824 1 70 VAL MG2 1 97 ASN HA 4.200 . 5.000 3.257 2.730 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 70 VAL HA 1 71 ASP QB 4.200 . 5.000 4.338 3.969 4.799 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 71 ASP H 1 72 MET H 4.200 . 5.000 4.331 4.039 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 71 ASP H 1 96 GLY H 4.200 . 5.000 5.057 3.482 5.192 0.192 6 0 "[ . 1 . 2 . 3]" 1
828 1 71 ASP H 1 98 PRO HA 4.200 . 5.000 4.943 4.721 5.059 0.059 30 0 "[ . 1 . 2 . 3]" 1
829 1 71 ASP HA 1 72 MET H 2.800 . 3.000 2.171 2.103 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 56 ALA H 1 71 ASP HA 4.200 . 5.000 4.887 4.155 5.079 0.079 23 0 "[ . 1 . 2 . 3]" 1
831 1 71 ASP QB 1 96 GLY H 4.200 . 5.000 4.444 1.830 5.059 0.059 21 0 "[ . 1 . 2 . 3]" 1
832 1 71 ASP QB 1 72 MET H 4.200 . 5.000 3.482 2.698 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 71 ASP QB 1 73 GLY H 4.200 . 5.000 4.040 2.772 5.194 0.194 18 0 "[ . 1 . 2 . 3]" 1
834 1 71 ASP QB 1 74 SER H 4.200 . 5.000 3.487 2.902 5.066 0.066 25 0 "[ . 1 . 2 . 3]" 1
835 1 71 ASP QB 1 78 THR HB 4.200 . 5.000 3.836 2.962 4.740 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 71 ASP QB 1 78 THR MG 4.200 . 5.000 4.486 4.074 5.029 0.029 18 0 "[ . 1 . 2 . 3]" 1
837 1 71 ASP QB 1 86 SER HA 4.200 . 5.000 3.701 2.531 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 72 MET HA 1 73 GLY H 2.800 . 3.000 2.378 2.148 2.939 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 72 MET HA 1 74 SER H 4.200 . 5.000 4.712 4.025 5.114 0.114 4 0 "[ . 1 . 2 . 3]" 1
840 1 72 MET HA 1 95 TRP HA 4.200 . 5.000 3.451 2.549 4.669 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 72 MET HA 1 95 TRP HZ2 4.200 . 5.000 4.984 4.146 5.221 0.221 30 0 "[ . 1 . 2 . 3]" 1
842 1 72 MET HA 1 95 TRP QB 4.200 . 5.000 4.409 3.207 5.039 0.039 28 0 "[ . 1 . 2 . 3]" 1
843 1 72 MET ME 1 95 TRP HE3 2.800 . 3.000 2.983 2.200 3.217 0.217 15 0 "[ . 1 . 2 . 3]" 1
844 1 72 MET ME 1 95 TRP HZ2 4.200 . 5.000 4.692 2.352 5.099 0.099 26 0 "[ . 1 . 2 . 3]" 1
845 1 72 MET ME 1 95 TRP HZ3 4.200 . 5.000 2.137 1.703 3.963 0.097 15 0 "[ . 1 . 2 . 3]" 1
846 1 73 GLY H 1 74 SER H 2.800 . 3.000 2.996 2.639 3.433 0.433 25 0 "[ . 1 . 2 . 3]" 1
847 1 73 GLY H 1 95 TRP H 4.200 . 5.000 4.659 3.424 5.108 0.108 28 0 "[ . 1 . 2 . 3]" 1
848 1 73 GLY H 1 95 TRP HZ3 4.200 . 5.000 4.833 2.845 5.190 0.190 28 0 "[ . 1 . 2 . 3]" 1
849 1 73 GLY H 1 95 TRP HA 4.200 . 5.000 2.796 1.836 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 73 GLY QA 1 74 SER H 2.800 . 3.000 2.501 2.377 2.990 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 73 GLY QA 1 74 SER HA 4.200 . 5.000 4.115 4.029 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 73 GLY QA 1 94 LYS H 4.200 . 5.000 4.842 4.272 5.113 0.113 17 0 "[ . 1 . 2 . 3]" 1
853 1 73 GLY QA 1 93 ARG HA 4.200 . 5.000 4.165 2.770 5.073 0.073 30 0 "[ . 1 . 2 . 3]" 1
854 1 74 SER HA 1 75 LEU H 3.700 . 4.200 2.545 2.168 2.862 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 74 SER HA 1 75 LEU HA 4.200 . 5.000 4.572 4.299 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 74 SER HA 1 76 ASN H 4.200 . 5.000 3.925 3.576 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 74 SER QB 1 76 ASN H 4.200 . 5.000 4.280 2.517 5.029 0.029 29 0 "[ . 1 . 2 . 3]" 1
858 1 74 SER QB 1 77 GLY H 4.200 . 5.000 3.159 2.394 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 74 SER QB 1 75 LEU H 3.700 . 4.200 3.721 2.449 4.110 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 74 SER QB 1 75 LEU HA 4.200 . 5.000 4.644 4.170 5.086 0.086 21 0 "[ . 1 . 2 . 3]" 1
861 1 75 LEU H 1 76 ASN H 3.700 . 4.200 2.756 2.092 3.269 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 75 LEU H 1 93 ARG HA 4.200 . 5.000 4.817 3.973 5.103 0.103 12 0 "[ . 1 . 2 . 3]" 1
863 1 75 LEU H 1 93 ARG QB 4.200 . 5.000 4.873 4.227 5.106 0.106 23 0 "[ . 1 . 2 . 3]" 1
864 1 75 LEU H 1 93 ARG HD3 4.200 . 5.000 4.409 3.322 5.025 0.025 5 0 "[ . 1 . 2 . 3]" 1
865 1 75 LEU H 1 93 ARG HD2 4.200 . 5.000 4.065 2.918 5.045 0.045 10 0 "[ . 1 . 2 . 3]" 1
866 1 75 LEU HA 1 76 ASN H 3.700 . 4.200 3.526 3.300 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 75 LEU HA 1 77 GLY H 4.200 . 5.000 4.337 2.960 4.749 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 75 LEU QB 1 76 ASN H 4.200 . 5.000 3.245 2.191 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 75 LEU HG 1 76 ASN H 4.200 . 5.000 3.725 1.732 4.990 0.068 16 0 "[ . 1 . 2 . 3]" 1
870 1 75 LEU MD1 1 93 ARG QD 4.200 . 5.000 4.230 1.881 5.012 0.012 23 0 "[ . 1 . 2 . 3]" 1
871 1 75 LEU MD1 1 77 GLY QA 4.200 . 5.000 5.000 4.367 5.326 0.326 18 0 "[ . 1 . 2 . 3]" 1
872 1 75 LEU MD2 1 76 ASN H 4.200 . 5.000 2.683 1.910 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 75 LEU MD2 1 77 GLY H 4.200 . 5.000 4.414 3.894 5.326 0.326 16 0 "[ . 1 . 2 . 3]" 1
874 1 76 ASN H 1 77 GLY H 2.800 . 3.000 2.464 2.323 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 76 ASN HA 1 77 GLY H 3.700 . 4.200 3.472 3.049 3.533 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 76 ASN QB 1 77 GLY H 4.200 . 5.000 2.875 2.617 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 76 ASN QB 1 110 GLY H 4.200 . 5.000 4.003 2.375 5.043 0.043 18 0 "[ . 1 . 2 . 3]" 1
878 1 76 ASN QB 1 110 GLY QA 4.200 . 5.000 2.549 1.850 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 77 GLY H 1 78 THR H 3.700 . 4.200 3.600 3.030 4.342 0.142 4 0 "[ . 1 . 2 . 3]" 1
880 1 77 GLY QA 1 78 THR H 2.800 . 3.000 2.190 2.084 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 78 THR H 1 79 LEU H 4.200 . 5.000 4.585 4.169 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 78 THR H 1 86 SER H 4.200 . 5.000 4.222 2.999 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 78 THR H 1 86 SER QB 4.200 . 5.000 2.785 1.868 4.251 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 78 THR HA 1 79 LEU H 2.800 . 3.000 2.398 2.197 2.564 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 78 THR HA 1 110 GLY H 3.700 . 4.200 4.031 3.735 4.244 0.044 18 0 "[ . 1 . 2 . 3]" 1
886 1 78 THR HA 1 79 LEU MD2 4.200 . 5.000 2.577 2.310 3.750 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 78 THR HA 1 109 LEU QB 4.200 . 5.000 3.468 2.722 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 78 THR HA 1 109 LEU HA 4.200 . 5.000 2.268 1.918 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 78 THR HB 1 85 ILE QG 4.200 . 5.000 4.168 2.873 5.091 0.091 19 0 "[ . 1 . 2 . 3]" 1
890 1 78 THR HB 1 85 ILE MD 4.200 . 5.000 2.785 1.872 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 78 THR MG 1 109 LEU HA 4.200 . 5.000 2.745 2.040 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 78 THR MG 1 109 LEU MD2 4.200 . 5.000 3.768 1.729 4.677 0.071 20 0 "[ . 1 . 2 . 3]" 1
893 1 78 THR MG 1 85 ILE MD 4.200 . 5.000 2.708 1.837 3.539 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 79 LEU H 1 80 VAL H 4.200 . 5.000 4.253 4.074 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 79 LEU H 1 110 GLY H 4.200 . 5.000 5.004 4.584 5.116 0.116 5 0 "[ . 1 . 2 . 3]" 1
896 1 79 LEU H 1 108 THR HB 3.700 . 4.200 3.637 3.099 4.206 0.006 16 0 "[ . 1 . 2 . 3]" 1
897 1 79 LEU H 1 109 LEU HA 4.200 . 5.000 3.567 3.162 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 79 LEU HA 1 80 VAL H 2.800 . 3.000 2.134 2.080 2.247 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 79 LEU HA 1 83 HIS H 4.200 . 5.000 3.997 3.537 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 79 LEU HA 1 85 ILE H 3.700 . 4.200 2.115 1.879 2.669 0.121 2 0 "[ . 1 . 2 . 3]" 1
901 1 79 LEU HA 1 86 SER H 4.200 . 5.000 3.770 3.339 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 79 LEU HA 1 84 SER HA 4.200 . 5.000 1.860 1.749 2.255 0.051 24 0 "[ . 1 . 2 . 3]" 1
903 1 79 LEU QB 1 80 VAL H 4.200 . 5.000 2.995 2.550 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 79 LEU QB 1 82 SER H 4.200 . 5.000 3.491 3.166 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 79 LEU QB 1 82 SER HA 4.200 . 5.000 3.103 2.734 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 79 LEU QB 1 83 HIS H 4.200 . 5.000 2.588 2.074 3.177 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 79 LEU QB 1 83 HIS HA 4.200 . 5.000 3.635 3.267 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 79 LEU QB 1 108 THR H 4.200 . 5.000 4.214 3.161 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 79 LEU QB 1 108 THR HB 4.200 . 5.000 3.755 2.578 4.267 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 79 LEU HG 1 84 SER HA 4.200 . 5.000 4.613 4.378 5.043 0.043 28 0 "[ . 1 . 2 . 3]" 1
911 1 79 LEU HG 1 108 THR H 4.200 . 5.000 2.981 2.433 4.248 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 79 LEU HG 1 110 GLY H 4.200 . 5.000 4.818 4.265 5.222 0.222 13 0 "[ . 1 . 2 . 3]" 1
913 1 79 LEU MD1 1 80 VAL H 4.200 . 5.000 4.820 4.286 5.059 0.059 30 0 "[ . 1 . 2 . 3]" 1
914 1 79 LEU MD1 1 82 SER H 4.200 . 5.000 3.772 3.442 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 79 LEU MD1 1 82 SER HA 2.800 . 3.000 2.507 2.243 3.065 0.065 14 0 "[ . 1 . 2 . 3]" 1
916 1 79 LEU MD1 1 82 SER QB 4.200 . 5.000 4.134 3.673 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 79 LEU MD1 1 108 THR HB 4.200 . 5.000 2.320 1.945 3.025 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 79 LEU MD1 1 108 THR H 4.200 . 5.000 4.238 3.502 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 79 LEU MD1 1 83 HIS H 4.200 . 5.000 3.797 3.096 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 79 LEU MD1 1 84 SER HA 4.200 . 5.000 4.207 3.963 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 79 LEU MD2 1 82 SER HA 4.200 . 5.000 5.043 4.970 5.101 0.101 13 0 "[ . 1 . 2 . 3]" 1
922 1 79 LEU MD2 1 84 SER H 4.200 . 5.000 4.439 2.960 4.750 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 79 LEU MD2 1 84 SER QB 4.200 . 5.000 3.037 1.828 3.453 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 79 LEU MD2 1 80 VAL H 4.200 . 5.000 4.793 4.054 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 79 LEU MD2 1 85 ILE H 4.200 . 5.000 4.626 3.688 4.917 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 79 LEU MD2 1 84 SER HA 2.800 . 3.000 3.069 2.013 3.194 0.194 1 0 "[ . 1 . 2 . 3]" 1
927 1 79 LEU MD2 1 107 ILE MG 4.200 . 5.000 5.121 5.024 5.222 0.222 22 0 "[ . 1 . 2 . 3]" 1
928 1 79 LEU MD2 1 108 THR HB 4.200 . 5.000 2.686 1.938 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 79 LEU MD2 1 108 THR MG 4.200 . 5.000 3.324 2.446 5.024 0.024 14 0 "[ . 1 . 2 . 3]" 1
930 1 80 VAL H 1 81 ASN H 4.200 . 5.000 4.445 4.312 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 80 VAL H 1 85 ILE H 3.700 . 4.200 2.623 2.358 2.818 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 80 VAL H 1 86 SER H 4.200 . 5.000 4.910 4.531 5.092 0.092 4 0 "[ . 1 . 2 . 3]" 1
933 1 80 VAL H 1 83 HIS H 4.200 . 5.000 2.948 2.663 3.240 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 80 VAL H 1 85 ILE HA 4.200 . 5.000 4.903 4.641 5.078 0.078 28 0 "[ . 1 . 2 . 3]" 1
935 1 80 VAL H 1 85 ILE MD 4.200 . 5.000 2.454 1.800 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 80 VAL H 1 84 SER HA 4.200 . 5.000 3.474 3.358 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 80 VAL H 1 84 SER QB 4.200 . 5.000 5.144 5.048 5.210 0.210 11 0 "[ . 1 . 2 . 3]" 1
938 1 80 VAL H 1 83 HIS QB 4.200 . 5.000 3.527 3.081 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 80 VAL H 1 85 ILE MG 3.700 . 4.200 2.495 1.960 3.390 0.040 12 0 "[ . 1 . 2 . 3]" 1
940 1 80 VAL HA 1 81 ASN H 2.800 . 3.000 2.194 2.147 2.218 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 80 VAL HA 1 107 ILE HA 4.200 . 5.000 2.274 2.048 2.460 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 80 VAL HA 1 108 THR H 3.700 . 4.200 3.744 3.027 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 80 VAL MG1 1 106 ILE H 4.200 . 5.000 3.298 2.767 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 80 VAL MG1 1 105 ASP QB 4.200 . 5.000 2.850 2.085 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 80 VAL MG1 1 107 ILE HA 4.200 . 5.000 3.757 3.320 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 80 VAL MG1 1 81 ASN H 4.200 . 5.000 2.444 2.116 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 80 VAL MG1 1 81 ASN HA 4.200 . 5.000 3.839 3.684 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 80 VAL MG1 1 101 LEU HA 4.200 . 5.000 2.909 2.241 3.875 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 80 VAL MG1 1 83 HIS H 4.200 . 5.000 4.610 4.482 4.815 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 80 VAL MG1 1 83 HIS QB 4.200 . 5.000 4.375 4.045 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 80 VAL MG1 1 85 ILE MG 4.200 . 5.000 3.410 2.894 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 80 VAL MG2 1 81 ASN H 4.200 . 5.000 4.013 3.884 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 80 VAL MG2 1 83 HIS H 4.200 . 5.000 4.916 4.750 5.056 0.056 22 0 "[ . 1 . 2 . 3]" 1
954 1 80 VAL MG2 1 85 ILE MG 4.200 . 5.000 2.692 1.807 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 80 VAL MG2 1 85 ILE QG 4.200 . 5.000 2.009 1.751 2.727 0.049 3 0 "[ . 1 . 2 . 3]" 1
956 1 80 VAL MG2 1 85 ILE MD 4.200 . 5.000 1.853 1.689 2.627 0.111 29 0 "[ . 1 . 2 . 3]" 1
957 1 80 VAL MG2 1 107 ILE HA 4.200 . 5.000 3.396 2.892 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 80 VAL MG2 1 107 ILE MG 4.200 . 5.000 3.422 1.727 4.365 0.073 28 0 "[ . 1 . 2 . 3]" 1
959 1 80 VAL HB 1 83 HIS QB 4.200 . 5.000 3.911 3.499 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 80 VAL HB 1 85 ILE MG 4.200 . 5.000 2.204 1.814 2.786 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 80 VAL HB 1 99 VAL MG1 4.200 . 5.000 3.353 2.950 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 81 ASN H 1 82 SER H 4.200 . 5.000 2.750 2.671 2.804 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 81 ASN H 1 83 HIS H 4.200 . 5.000 4.059 3.926 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 81 ASN H 1 107 ILE HA 4.200 . 5.000 3.239 2.315 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 81 ASN H 1 106 ILE H 3.700 . 4.200 2.675 2.066 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 81 ASN H 1 106 ILE HB 3.700 . 4.200 4.263 4.082 4.375 0.175 11 0 "[ . 1 . 2 . 3]" 1
967 1 81 ASN H 1 82 SER HA 4.200 . 5.000 4.997 4.909 5.040 0.040 20 0 "[ . 1 . 2 . 3]" 1
968 1 81 ASN HA 1 82 SER H 3.700 . 4.200 2.769 2.611 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 81 ASN HA 1 82 SER HA 4.200 . 5.000 4.743 4.670 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 81 ASN HA 1 83 HIS H 4.200 . 5.000 4.471 4.218 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 81 ASN HA 1 106 ILE H 2.800 . 3.000 2.987 2.556 3.126 0.126 17 0 "[ . 1 . 2 . 3]" 1
972 1 81 ASN HA 1 106 ILE HB 4.200 . 5.000 4.349 3.814 4.869 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 81 ASN QB 1 82 SER H 4.200 . 5.000 3.950 3.792 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 81 ASN QB 1 83 HIS H 4.200 . 5.000 4.150 3.521 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 81 ASN QB 1 106 ILE H 4.200 . 5.000 3.407 3.084 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 82 SER H 1 83 HIS H 4.200 . 5.000 2.576 2.419 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 82 SER HA 1 83 HIS H 2.800 . 3.000 2.914 2.826 3.013 0.013 10 0 "[ . 1 . 2 . 3]" 1
978 1 82 SER QB 1 83 HIS H 4.200 . 5.000 3.815 3.685 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 83 HIS H 1 84 SER HA 4.200 . 5.000 4.625 4.539 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 83 HIS HA 1 84 SER H 2.800 . 3.000 2.160 2.134 2.215 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 83 HIS QB 1 84 SER H 4.200 . 5.000 3.728 3.432 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 84 SER HA 1 85 ILE H 2.800 . 3.000 2.210 2.120 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 84 SER HA 1 86 SER H 4.200 . 5.000 3.467 3.175 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 85 ILE H 1 86 SER H 2.800 . 3.000 2.553 2.398 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 85 ILE H 1 86 SER HA 4.200 . 5.000 5.068 4.866 5.224 0.224 25 0 "[ . 1 . 2 . 3]" 1
986 1 85 ILE H 1 86 SER QB 4.200 . 5.000 4.365 3.938 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 84 SER QB 1 85 ILE H 4.200 . 5.000 3.799 3.602 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 85 ILE H 1 88 PRO QG 4.200 . 5.000 5.121 5.076 5.226 0.226 3 0 "[ . 1 . 2 . 3]" 1
989 1 85 ILE HA 1 86 SER H 3.700 . 4.200 3.449 3.064 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 85 ILE HB 1 86 SER H 4.200 . 5.000 4.056 3.603 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 85 ILE HB 1 99 VAL HB 4.200 . 5.000 3.606 2.404 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 85 ILE HB 1 99 VAL MG2 4.200 . 5.000 1.825 1.737 1.922 0.063 19 0 "[ . 1 . 2 . 3]" 1
993 1 85 ILE HB 1 99 VAL MG1 4.200 . 5.000 2.266 1.810 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 85 ILE QG 1 99 VAL H 4.200 . 5.000 4.609 3.744 5.129 0.129 8 0 "[ . 1 . 2 . 3]" 1
995 1 85 ILE QG 1 86 SER H 4.200 . 5.000 2.973 1.803 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 85 ILE QG 1 99 VAL HB 4.200 . 5.000 2.674 2.193 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 85 ILE MG 1 86 SER H 4.200 . 5.000 4.109 3.742 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 83 HIS QB 1 85 ILE MG 4.200 . 5.000 2.730 2.227 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 85 ILE MG 1 99 VAL HB 4.200 . 5.000 3.908 1.955 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 85 ILE MG 1 99 VAL MG2 2.800 . 3.000 2.997 2.208 3.322 0.322 30 0 "[ . 1 . 2 . 3]" 1
1001 1 85 ILE MG 1 99 VAL MG1 2.800 . 3.000 2.136 1.815 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 85 ILE MD 1 86 SER H 4.200 . 5.000 2.199 1.798 3.551 0.002 6 0 "[ . 1 . 2 . 3]" 1
1003 1 85 ILE MD 1 99 VAL HB 4.200 . 5.000 3.436 1.802 4.313 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 85 ILE MD 1 99 VAL MG2 4.200 . 5.000 2.823 1.772 4.164 0.028 1 0 "[ . 1 . 2 . 3]" 1
1005 1 86 SER H 1 87 HIS H 4.200 . 5.000 2.986 1.937 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 86 SER HA 1 87 HIS H 3.700 . 4.200 3.143 2.515 3.459 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 86 SER QB 1 87 HIS H 3.700 . 4.200 3.118 2.472 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 86 SER QB 1 87 HIS HA 4.200 . 5.000 4.393 4.052 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 87 HIS H 1 88 PRO QD 4.200 . 5.000 2.700 1.841 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 87 HIS HA 1 89 ASP H 4.200 . 5.000 3.589 3.007 5.059 0.059 14 0 "[ . 1 . 2 . 3]" 1
1011 1 87 HIS HA 1 88 PRO HA 4.200 . 5.000 4.772 4.523 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 87 HIS HA 1 88 PRO QB 4.200 . 5.000 4.921 4.480 5.246 0.246 9 0 "[ . 1 . 2 . 3]" 1
1013 1 87 HIS HA 1 88 PRO QD 4.200 . 5.000 2.574 1.840 3.109 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 87 HIS HA 1 88 PRO QG 4.200 . 5.000 4.441 3.734 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 87 HIS QB 1 88 PRO QD 4.200 . 5.000 3.680 3.304 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 88 PRO HA 1 89 ASP H 3.700 . 4.200 3.223 2.244 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 88 PRO HA 1 90 LEU MD2 4.200 . 5.000 4.772 3.252 5.196 0.196 4 0 "[ . 1 . 2 . 3]" 1
1018 1 88 PRO QB 1 89 ASP H 4.200 . 5.000 3.162 2.136 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 88 PRO QD 1 89 ASP H 4.200 . 5.000 3.039 2.436 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 88 PRO QG 1 89 ASP H 3.700 . 4.200 4.068 3.481 4.562 0.362 2 0 "[ . 1 . 2 . 3]" 1
1021 1 89 ASP H 1 90 LEU H 3.700 . 4.200 4.030 3.350 4.442 0.242 3 0 "[ . 1 . 2 . 3]" 1
1022 1 89 ASP HA 1 90 LEU H 2.800 . 3.000 2.312 2.058 3.182 0.182 4 0 "[ . 1 . 2 . 3]" 1
1023 1 89 ASP QB 1 90 LEU H 4.200 . 5.000 3.482 1.757 3.964 0.043 4 0 "[ . 1 . 2 . 3]" 1
1024 1 89 ASP QB 1 92 SER QB 4.200 . 5.000 2.536 1.732 4.923 0.068 17 0 "[ . 1 . 2 . 3]" 1
1025 1 90 LEU H 1 91 GLY H 4.200 . 5.000 3.776 1.982 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 90 LEU HA 1 91 GLY H 4.200 . 5.000 2.903 2.135 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 90 LEU QB 1 91 GLY H 2.800 . 3.000 2.644 1.885 3.155 0.155 5 0 "[ . 1 . 2 . 3]" 1
1028 1 90 LEU HG 1 91 GLY H 4.200 . 5.000 4.247 1.794 5.070 0.070 9 0 "[ . 1 . 2 . 3]" 1
1029 1 90 LEU MD1 1 91 GLY H 4.200 . 5.000 4.041 2.174 5.009 0.009 10 0 "[ . 1 . 2 . 3]" 1
1030 1 90 LEU MD2 1 91 GLY H 4.200 . 5.000 3.910 1.769 4.911 0.031 4 0 "[ . 1 . 2 . 3]" 1
1031 1 90 LEU MD2 1 92 SER H 4.200 . 5.000 4.849 1.900 5.216 0.216 19 0 "[ . 1 . 2 . 3]" 1
1032 1 91 GLY H 1 92 SER H 2.800 . 3.000 2.688 1.886 3.024 0.024 19 0 "[ . 1 . 2 . 3]" 1
1033 1 91 GLY H 1 93 ARG H 4.200 . 5.000 4.503 3.575 5.113 0.113 22 0 "[ . 1 . 2 . 3]" 1
1034 1 91 GLY QA 1 92 SER H 3.700 . 4.200 2.854 2.715 2.937 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 91 GLY QA 1 92 SER QB 4.200 . 5.000 4.479 4.178 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 91 GLY QA 1 93 ARG H 4.200 . 5.000 4.357 3.283 5.074 0.074 9 0 "[ . 1 . 2 . 3]" 1
1037 1 92 SER H 1 93 ARG H 2.800 . 3.000 2.741 2.408 3.679 0.679 12 1 "[ . 1 + . 2 . 3]" 1
1038 1 92 SER H 1 94 LYS H 4.200 . 5.000 4.649 4.322 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 92 SER HA 1 93 ARG H 3.700 . 4.200 3.524 2.342 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 92 SER HA 1 94 LYS H 4.200 . 5.000 3.799 3.304 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 92 SER QB 1 93 ARG H 4.200 . 5.000 2.591 1.849 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 92 SER QB 1 94 LYS H 4.200 . 5.000 2.500 1.897 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 92 SER QB 1 94 LYS QB 4.200 . 5.000 3.127 2.084 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 92 SER QB 1 94 LYS QE 4.200 . 5.000 4.370 2.741 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 92 SER QB 1 94 LYS QG 4.200 . 5.000 3.160 1.869 5.113 0.113 22 0 "[ . 1 . 2 . 3]" 1
1046 1 92 SER QB 1 94 LYS QD 4.200 . 5.000 3.682 2.097 5.009 0.009 24 0 "[ . 1 . 2 . 3]" 1
1047 1 93 ARG H 1 94 LYS H 2.800 . 3.000 2.786 2.313 3.024 0.024 12 0 "[ . 1 . 2 . 3]" 1
1048 1 93 ARG HA 1 94 LYS H 2.800 . 3.000 3.132 2.926 3.382 0.382 22 0 "[ . 1 . 2 . 3]" 1
1049 1 93 ARG HA 1 94 LYS QB 4.200 . 5.000 4.963 4.621 5.284 0.284 29 0 "[ . 1 . 2 . 3]" 1
1050 1 93 ARG QB 1 94 LYS H 3.700 . 4.200 3.485 2.966 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 94 LYS H 1 95 TRP H 4.200 . 5.000 4.379 3.881 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 94 LYS H 1 96 GLY H 4.200 . 5.000 4.769 3.862 5.237 0.237 25 0 "[ . 1 . 2 . 3]" 1
1053 1 94 LYS HA 1 95 TRP H 2.800 . 3.000 2.632 2.247 3.224 0.224 29 0 "[ . 1 . 2 . 3]" 1
1054 1 94 LYS QB 1 95 TRP H 2.800 . 3.000 2.329 1.735 2.980 0.065 29 0 "[ . 1 . 2 . 3]" 1
1055 1 94 LYS QE 1 95 TRP H 4.200 . 5.000 3.983 1.872 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 94 LYS QG 1 95 TRP H 3.700 . 4.200 2.901 1.957 4.145 0.043 27 0 "[ . 1 . 2 . 3]" 1
1057 1 95 TRP H 1 96 GLY H 3.700 . 4.200 2.507 2.277 4.065 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 95 TRP HA 1 96 GLY H 3.700 . 4.200 3.401 2.478 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 95 TRP QB 1 96 GLY H 3.700 . 4.200 3.041 2.797 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 96 GLY HA3 1 97 ASN H 3.700 . 4.200 2.615 2.065 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 96 GLY HA2 1 97 ASN H 2.800 . 3.000 2.563 2.269 3.293 0.293 19 0 "[ . 1 . 2 . 3]" 1
1062 1 97 ASN H 1 98 PRO QD 4.200 . 5.000 4.323 3.366 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 97 ASN QB 1 98 PRO QD 4.200 . 5.000 2.729 1.837 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 97 ASN HA 1 98 PRO QG 4.200 . 5.000 3.868 3.728 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 97 ASN HA 1 98 PRO QD 4.200 . 5.000 1.964 1.857 2.202 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 97 ASN HA 1 98 PRO QB 4.200 . 5.000 4.681 4.450 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 98 PRO HA 1 99 VAL H 2.800 . 3.000 2.177 2.118 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 98 PRO HA 1 99 VAL HA 4.200 . 5.000 4.412 4.348 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 98 PRO HA 1 99 VAL MG2 4.200 . 5.000 3.768 3.477 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 98 PRO QB 1 99 VAL H 4.200 . 5.000 3.409 2.959 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 98 PRO QB 1 99 VAL MG2 4.200 . 5.000 4.671 4.319 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 98 PRO QG 1 99 VAL H 4.200 . 5.000 4.732 4.510 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 99 VAL H 1 100 GLU H 4.200 . 5.000 4.506 4.283 4.589 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 99 VAL HA 1 100 GLU H 2.800 . 3.000 2.292 2.236 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 99 VAL HB 1 100 GLU H 4.200 . 5.000 4.091 3.501 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 99 VAL MG2 1 100 GLU H 3.700 . 4.200 4.045 3.895 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 99 VAL MG1 1 100 GLU H 2.800 . 3.000 2.285 1.891 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 100 GLU HA 1 101 LEU H 2.800 . 3.000 2.074 2.010 2.158 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 100 GLU QB 1 101 LEU H 4.200 . 5.000 3.075 2.952 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 100 GLU QB 1 101 LEU QB 4.200 . 5.000 5.023 4.596 5.234 0.234 1 0 "[ . 1 . 2 . 3]" 1
1081 1 100 GLU QG 1 101 LEU H 4.200 . 5.000 4.392 3.188 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 101 LEU H 1 102 ALA H 4.200 . 5.000 4.532 4.503 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 101 LEU H 1 102 ALA HA 4.200 . 5.000 5.111 5.052 5.204 0.204 9 0 "[ . 1 . 2 . 3]" 1
1084 1 101 LEU HA 1 102 ALA H 2.800 . 3.000 2.433 2.350 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 101 LEU HA 1 102 ALA MB 4.200 . 5.000 3.731 3.695 3.761 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 101 LEU QB 1 102 ALA H 2.800 . 3.000 2.389 2.281 3.013 0.013 30 0 "[ . 1 . 2 . 3]" 1
1087 1 101 LEU QB 1 102 ALA HA 4.200 . 5.000 4.213 3.859 4.299 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 101 LEU MD2 1 102 ALA H 2.800 . 3.000 3.031 1.856 3.177 0.177 25 0 "[ . 1 . 2 . 3]" 1
1089 1 101 LEU MD2 1 102 ALA HA 4.200 . 5.000 3.100 2.831 5.113 0.113 9 0 "[ . 1 . 2 . 3]" 1
1090 1 101 LEU MD2 1 119 ILE MD 4.200 . 5.000 2.043 1.743 4.476 0.057 8 0 "[ . 1 . 2 . 3]" 1
1091 1 101 LEU MD1 1 102 ALA H 4.200 . 5.000 4.669 4.157 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 101 LEU MD1 1 119 ILE MD 4.200 . 5.000 3.881 3.238 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 102 ALA H 1 103 SER H 4.200 . 5.000 4.443 4.372 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 102 ALA H 1 105 ASP QB 4.200 . 5.000 2.311 2.126 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 102 ALA H 1 105 ASP H 4.200 . 5.000 4.121 3.927 4.386 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 102 ALA HA 1 103 SER H 2.800 . 3.000 2.335 2.249 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 102 ALA HA 1 119 ILE QG 4.200 . 5.000 3.942 3.347 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 102 ALA HA 1 119 ILE MD 4.200 . 5.000 2.627 1.889 4.188 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 102 ALA MB 1 105 ASP H 4.200 . 5.000 3.913 3.583 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
1100 1 102 ALA MB 1 104 ASP H 4.200 . 5.000 5.106 5.036 5.157 0.157 30 0 "[ . 1 . 2 . 3]" 1
1101 1 102 ALA MB 1 103 SER H 2.800 . 3.000 2.630 2.530 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 102 ALA MB 1 119 ILE QG 4.200 . 5.000 4.937 4.426 5.069 0.069 9 0 "[ . 1 . 2 . 3]" 1
1103 1 103 SER H 1 119 ILE MD 3.700 . 4.200 3.199 2.316 4.291 0.091 23 0 "[ . 1 . 2 . 3]" 1
1104 1 103 SER H 1 119 ILE H 4.200 . 5.000 4.332 4.005 4.845 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 103 SER H 1 104 ASP H 4.200 . 5.000 4.528 4.503 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 103 SER HA 1 104 ASP H 2.800 . 3.000 2.129 2.099 2.142 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 103 SER HA 1 105 ASP H 4.200 . 5.000 3.323 3.214 3.410 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 103 SER HA 1 117 VAL MG1 4.200 . 5.000 4.157 3.600 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 103 SER HA 1 119 ILE QG 4.200 . 5.000 2.996 2.417 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 103 SER HA 1 119 ILE MD 4.200 . 5.000 3.896 3.061 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 103 SER QB 1 104 ASP H 4.200 . 5.000 3.292 3.078 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 103 SER QB 1 105 ASP H 4.200 . 5.000 4.675 4.493 4.855 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 103 SER QB 1 119 ILE HB 4.200 . 5.000 2.976 2.188 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 103 SER QB 1 119 ILE H 4.200 . 5.000 2.192 1.904 3.134 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 103 SER QB 1 119 ILE MG 4.200 . 5.000 4.374 3.776 5.058 0.058 19 0 "[ . 1 . 2 . 3]" 1
1116 1 104 ASP H 1 105 ASP H 2.800 . 3.000 2.501 2.397 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 104 ASP H 1 105 ASP QB 4.200 . 5.000 4.325 4.167 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 104 ASP H 1 117 VAL MG1 4.200 . 5.000 4.775 4.077 5.035 0.035 15 0 "[ . 1 . 2 . 3]" 1
1119 1 104 ASP H 1 118 ARG HA 4.200 . 5.000 2.416 1.900 2.686 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 104 ASP HA 1 105 ASP H 3.700 . 4.200 3.243 3.153 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 104 ASP QB 1 116 TYR QE 4.200 . 5.000 4.083 3.503 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 104 ASP QB 1 105 ASP QB 4.200 . 5.000 4.767 4.494 4.954 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 104 ASP QB 1 105 ASP H 4.200 . 5.000 3.504 3.304 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 105 ASP H 1 106 ILE H 4.200 . 5.000 4.492 4.389 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 105 ASP H 1 117 VAL H 4.200 . 5.000 3.783 3.378 4.233 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 105 ASP H 1 117 VAL HB 4.200 . 5.000 2.876 2.493 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 105 ASP H 1 117 VAL MG1 4.200 . 5.000 4.243 3.499 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 105 ASP H 1 117 VAL MG2 4.200 . 5.000 3.766 3.173 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 105 ASP HA 1 106 ILE H 3.700 . 4.200 2.691 2.263 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 105 ASP QB 1 106 ILE H 3.700 . 4.200 2.332 1.905 3.314 0.095 10 0 "[ . 1 . 2 . 3]" 1
1131 1 105 ASP QB 1 106 ILE MG 4.200 . 5.000 4.594 4.297 5.073 0.073 4 0 "[ . 1 . 2 . 3]" 1
1132 1 105 ASP QB 1 117 VAL MG2 4.200 . 5.000 2.303 1.840 3.931 . 0 0 "[ . 1 . 2 . 3]" 1
1133 1 105 ASP QB 1 117 VAL MG1 4.200 . 5.000 3.346 2.604 4.326 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 105 ASP QB 1 117 VAL HB 4.200 . 5.000 2.406 1.974 3.564 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 106 ILE H 1 107 ILE H 4.200 . 5.000 4.177 3.953 4.533 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 106 ILE HA 1 107 ILE H 2.800 . 3.000 2.203 2.145 2.254 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 106 ILE HA 1 107 ILE MG 4.200 . 5.000 4.808 4.409 5.055 0.055 7 0 "[ . 1 . 2 . 3]" 1
1138 1 106 ILE MD 1 107 ILE H 3.700 . 4.200 4.326 4.246 4.604 0.404 17 0 "[ . 1 . 2 . 3]" 1
1139 1 106 ILE MD 1 116 TYR QE 4.200 . 5.000 5.024 3.875 5.148 0.148 24 0 "[ . 1 . 2 . 3]" 1
1140 1 106 ILE MD 1 116 TYR QD 4.200 . 5.000 5.012 4.251 5.103 0.103 11 0 "[ . 1 . 2 . 3]" 1
1141 1 106 ILE MD 1 114 LYS QE 4.200 . 5.000 3.230 1.830 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 106 ILE MD 1 114 LYS QB 4.200 . 5.000 4.239 2.877 5.133 0.133 17 0 "[ . 1 . 2 . 3]" 1
1143 1 106 ILE QG 1 116 TYR QE 4.200 . 5.000 3.749 3.425 4.933 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 106 ILE MG 1 107 ILE H 4.200 . 5.000 3.508 3.269 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 106 ILE MG 1 115 VAL H 4.200 . 5.000 4.759 4.256 5.085 0.085 27 0 "[ . 1 . 2 . 3]" 1
1146 1 106 ILE MG 1 114 LYS QB 4.200 . 4.200 3.781 3.104 4.312 0.112 13 0 "[ . 1 . 2 . 3]" 1
1147 1 106 ILE MG 1 114 LYS QE 4.200 . 5.000 3.980 1.780 4.819 0.020 13 0 "[ . 1 . 2 . 3]" 1
1148 1 107 ILE H 1 117 VAL H 4.200 . 5.000 4.186 3.646 4.699 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 107 ILE H 1 115 VAL HB 4.200 . 5.000 4.143 3.359 5.157 0.157 30 0 "[ . 1 . 2 . 3]" 1
1150 1 107 ILE H 1 117 VAL MG1 4.200 . 5.000 5.105 5.051 5.219 0.219 29 0 "[ . 1 . 2 . 3]" 1
1151 1 107 ILE H 1 108 THR H 4.200 . 5.000 4.454 3.919 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 107 ILE HA 1 108 THR H 2.800 . 3.000 2.311 2.231 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 107 ILE HA 1 117 VAL MG2 4.200 . 5.000 4.084 3.683 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 107 ILE HB 1 115 VAL H 3.700 . 4.200 3.938 3.267 4.292 0.092 24 0 "[ . 1 . 2 . 3]" 1
1155 1 107 ILE HB 1 115 VAL HB 4.200 . 5.000 4.213 3.157 5.038 0.038 30 0 "[ . 1 . 2 . 3]" 1
1156 1 107 ILE HB 1 108 THR H 4.200 . 5.000 3.828 2.667 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 107 ILE HB 1 109 LEU MD1 4.200 . 5.000 3.892 2.097 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 107 ILE QG 1 109 LEU MD1 4.200 . 5.000 3.980 3.132 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 107 ILE QG 1 108 THR H 4.200 . 5.000 3.274 1.837 4.680 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 107 ILE MD 1 115 VAL H 4.200 . 5.000 4.446 3.172 5.182 0.182 19 0 "[ . 1 . 2 . 3]" 1
1161 1 107 ILE MD 1 115 VAL HB 4.200 . 5.000 4.208 1.815 5.125 0.125 27 0 "[ . 1 . 2 . 3]" 1
1162 1 107 ILE MD 1 115 VAL MG2 4.200 . 5.000 3.744 1.740 5.131 0.131 9 0 "[ . 1 . 2 . 3]" 1
1163 1 107 ILE MD 1 117 VAL MG2 4.200 . 5.000 3.824 2.063 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 107 ILE MD 1 108 THR H 4.200 . 5.000 3.485 1.777 5.056 0.056 10 0 "[ . 1 . 2 . 3]" 1
1165 1 107 ILE MD 1 108 THR HA 4.200 . 5.000 4.657 3.684 5.123 0.123 30 0 "[ . 1 . 2 . 3]" 1
1166 1 107 ILE MD 1 109 LEU QB 4.200 . 5.000 4.121 3.288 5.139 0.139 14 0 "[ . 1 . 2 . 3]" 1
1167 1 107 ILE MD 1 109 LEU HG 4.200 . 5.000 4.385 3.036 5.008 0.008 19 0 "[ . 1 . 2 . 3]" 1
1168 1 107 ILE MD 1 109 LEU MD1 4.200 . 5.000 2.689 2.291 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 107 ILE MD 1 109 LEU MD2 4.200 . 5.000 4.278 1.934 5.004 0.004 15 0 "[ . 1 . 2 . 3]" 1
1170 1 107 ILE MG 1 108 THR H 4.200 . 5.000 2.732 2.260 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 107 ILE MG 1 109 LEU MD2 4.200 . 5.000 3.861 1.790 5.037 0.037 7 0 "[ . 1 . 2 . 3]" 1
1172 1 107 ILE MG 1 109 LEU MD1 4.200 . 5.000 2.379 1.763 4.916 0.037 5 0 "[ . 1 . 2 . 3]" 1
1173 1 107 ILE MG 1 115 VAL H 4.200 . 5.000 3.000 1.828 5.011 0.011 10 0 "[ . 1 . 2 . 3]" 1
1174 1 107 ILE MG 1 117 VAL MG2 4.200 . 5.000 3.573 2.968 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 107 ILE MG 1 109 LEU HG 4.200 . 5.000 4.118 2.114 5.077 0.077 14 0 "[ . 1 . 2 . 3]" 1
1176 1 108 THR H 1 109 LEU H 4.200 . 5.000 4.127 3.913 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 108 THR H 1 114 LYS HA 4.200 . 5.000 4.348 3.812 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 108 THR HA 1 109 LEU H 2.800 . 3.000 2.129 2.045 2.238 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 108 THR HA 1 109 LEU MD1 4.200 . 5.000 2.801 2.287 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 108 THR HA 1 109 LEU MD2 4.200 . 5.000 3.615 2.928 5.010 0.010 13 0 "[ . 1 . 2 . 3]" 1
1181 1 108 THR HA 1 114 LYS HA 4.200 . 5.000 2.044 1.708 2.381 0.092 20 0 "[ . 1 . 2 . 3]" 1
1182 1 108 THR HA 1 114 LYS QB 4.200 . 5.000 3.461 2.443 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 108 THR HA 1 114 LYS QD 4.200 . 5.000 5.030 4.686 5.172 0.172 20 0 "[ . 1 . 2 . 3]" 1
1184 1 108 THR HA 1 114 LYS QG 4.200 . 5.000 3.527 2.917 4.966 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 108 THR HA 1 114 LYS QE 4.200 . 5.000 4.933 4.461 5.090 0.090 19 0 "[ . 1 . 2 . 3]" 1
1186 1 108 THR HA 1 115 VAL H 3.700 . 4.200 3.415 2.970 3.800 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 108 THR HB 1 109 LEU H 4.200 . 5.000 4.036 3.748 4.244 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 108 THR MG 1 109 LEU H 2.800 . 3.000 2.811 2.192 3.052 0.052 17 0 "[ . 1 . 2 . 3]" 1
1189 1 108 THR MG 1 110 GLY H 4.200 . 5.000 3.035 2.156 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 108 THR MG 1 112 THR H 4.200 . 5.000 3.996 3.674 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 108 THR MG 1 115 VAL H 4.200 . 5.000 4.651 3.980 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 108 THR MG 1 111 THR HA 4.200 . 5.000 4.624 4.357 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 108 THR MG 1 114 LYS QE 4.200 . 5.000 3.050 2.658 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 108 THR MG 1 114 LYS QB 4.200 . 5.000 2.632 1.899 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 108 THR MG 1 114 LYS QD 4.200 . 5.000 3.454 2.616 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 108 THR MG 1 114 LYS QG 4.200 . 5.000 2.515 1.719 4.218 0.081 25 0 "[ . 1 . 2 . 3]" 1
1197 1 109 LEU H 1 110 GLY H 4.200 . 5.000 3.233 2.796 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 109 LEU H 1 113 THR H 4.200 . 5.000 4.515 3.626 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 109 LEU H 1 113 THR HB 4.200 . 5.000 3.164 2.520 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 109 LEU H 1 113 THR MG 4.200 . 5.000 3.698 3.428 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 109 LEU H 1 114 LYS HA 3.700 . 4.200 3.552 3.006 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 109 LEU HA 1 110 GLY H 4.200 . 5.000 2.657 2.149 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 109 LEU QB 1 110 GLY H 4.200 . 5.000 3.838 2.948 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 109 LEU QB 1 113 THR MG 4.200 . 5.000 4.293 3.146 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 109 LEU MD1 1 115 VAL HB 4.200 . 5.000 3.978 3.095 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
1206 1 109 LEU MD1 1 113 THR MG 4.200 . 5.000 3.185 1.862 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 109 LEU MD2 1 110 GLY H 4.200 . 5.000 3.880 3.438 5.080 0.080 10 0 "[ . 1 . 2 . 3]" 1
1208 1 110 GLY H 1 111 THR H 4.200 . 5.000 4.133 3.941 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 110 GLY H 1 113 THR H 4.200 . 5.000 4.608 4.245 5.242 0.242 14 0 "[ . 1 . 2 . 3]" 1
1210 1 110 GLY QA 1 111 THR H 2.800 . 3.000 2.103 2.086 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 111 THR H 1 112 THR H 2.800 . 3.000 2.341 2.134 2.513 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 111 THR H 1 112 THR MG 4.200 . 5.000 4.556 4.380 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 111 THR HA 1 112 THR H 3.700 . 4.200 3.556 3.493 3.600 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 111 THR HA 1 112 THR HB 4.200 . 5.000 4.803 4.611 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 111 THR HB 1 112 THR H 4.200 . 5.000 3.928 3.813 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 111 THR MG 1 112 THR H 3.700 . 4.200 2.022 1.911 2.230 0.089 23 0 "[ . 1 . 2 . 3]" 1
1217 1 112 THR H 1 113 THR H 2.800 . 3.000 1.785 1.701 1.881 0.099 19 0 "[ . 1 . 2 . 3]" 1
1218 1 112 THR HA 1 113 THR H 4.200 . 5.000 3.294 3.232 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 112 THR HB 1 113 THR H 3.700 . 4.200 4.249 4.153 4.333 0.133 13 0 "[ . 1 . 2 . 3]" 1
1220 1 112 THR MG 1 113 THR H 3.700 . 4.200 3.131 2.891 3.368 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 113 THR H 1 114 LYS H 4.200 . 5.000 4.311 4.250 4.369 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 113 THR HA 1 114 LYS H 2.800 . 3.000 2.196 2.155 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 113 THR MG 1 114 LYS H 2.800 . 3.000 3.090 3.031 3.167 0.167 13 0 "[ . 1 . 2 . 3]" 1
1224 1 113 THR MG 1 114 LYS HA 4.200 . 5.000 3.912 3.703 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 114 LYS HA 1 115 VAL H 2.800 . 3.000 2.186 2.067 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 114 LYS HA 1 115 VAL MG1 4.200 . 5.000 4.834 3.832 5.324 0.324 11 0 "[ . 1 . 2 . 3]" 1
1227 1 114 LYS QB 1 115 VAL H 3.700 . 4.200 3.260 2.003 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 115 VAL HA 1 116 TYR H 2.800 . 3.000 2.216 2.164 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 115 VAL H 1 116 TYR H 4.200 . 5.000 4.459 3.926 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 115 VAL HB 1 116 TYR H 4.200 . 5.000 3.889 3.258 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 115 VAL MG1 1 116 TYR H 4.200 . 5.000 3.029 2.351 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 116 TYR H 1 117 VAL H 4.200 . 5.000 4.560 4.519 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 116 TYR HA 1 117 VAL H 2.800 . 3.000 2.174 2.148 2.214 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 116 TYR QD 1 117 VAL H 4.200 . 5.000 3.362 2.992 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 117 VAL H 1 118 ARG H 4.200 . 5.000 4.306 4.249 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 117 VAL HA 1 118 ARG H 2.800 . 3.000 2.146 2.108 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 117 VAL HB 1 118 ARG H 4.200 . 5.000 4.089 3.955 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 117 VAL MG1 1 118 ARG H 2.800 . 3.000 2.871 2.583 3.020 0.020 10 0 "[ . 1 . 2 . 3]" 1
1239 1 117 VAL MG1 1 118 ARG HA 4.200 . 5.000 4.229 3.823 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 118 ARG H 1 119 ILE H 4.200 . 5.000 4.395 4.246 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 118 ARG HA 1 119 ILE H 2.800 . 3.000 2.226 2.161 2.310 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 118 ARG QD 1 119 ILE MG 4.200 . 5.000 5.019 4.844 5.121 0.121 22 0 "[ . 1 . 2 . 3]" 1
1243 1 119 ILE H 1 120 SER H 4.200 . 5.000 4.294 4.049 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 119 ILE HA 1 120 SER H 2.800 . 3.000 2.205 2.154 2.273 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 119 ILE MG 1 120 SER H 4.200 . 5.000 2.426 1.966 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 67 TRP HZ2 1 119 ILE MD 4.200 . 5.000 4.250 3.183 5.073 0.073 6 0 "[ . 1 . 2 . 3]" 1
1247 1 120 SER HA 1 121 SER H 2.800 . 3.000 2.321 2.152 2.420 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 120 SER H 1 121 SER HA 4.200 . 5.000 4.798 4.604 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 121 SER H 1 122 GLN H 4.200 . 5.000 4.530 4.373 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 121 SER HA 1 122 GLN H 2.800 . 3.000 2.481 2.203 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 121 SER QB 1 122 GLN H 2.800 . 3.000 2.391 1.916 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 122 GLN HA 1 123 ASN H 2.800 . 3.000 2.169 2.136 2.369 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 122 GLN QB 1 123 ASN H 4.200 . 5.000 3.707 2.776 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 122 GLN QG 1 124 GLU H 3.700 . 4.200 3.781 3.003 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 123 ASN H 1 124 GLU H 4.200 . 5.000 3.884 3.325 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 123 ASN HA 1 124 GLU H 2.800 . 3.000 2.245 2.146 2.287 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 123 ASN QB 1 124 GLU H 3.700 . 4.200 3.740 3.282 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 214
_Distance_constraint_stats_list.Viol_total 444.923
_Distance_constraint_stats_list.Viol_max 0.349
_Distance_constraint_stats_list.Viol_rms 0.0314
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0099
_Distance_constraint_stats_list.Viol_average_violations_only 0.0693
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 TRP 4.411 0.211 13 0 "[ . 1 . 2 . 3]"
1 9 PHE 3.607 0.211 13 0 "[ . 1 . 2 . 3]"
1 22 HIS 0.945 0.168 6 0 "[ . 1 . 2 . 3]"
1 23 ALA 0.906 0.085 24 0 "[ . 1 . 2 . 3]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 32 LEU 0.371 0.113 20 0 "[ . 1 . 2 . 3]"
1 34 VAL 0.788 0.168 6 0 "[ . 1 . 2 . 3]"
1 44 LEU 0.157 0.077 1 0 "[ . 1 . 2 . 3]"
1 51 VAL 0.004 0.004 14 0 "[ . 1 . 2 . 3]"
1 55 HIS 1.282 0.166 11 0 "[ . 1 . 2 . 3]"
1 56 ALA 0.040 0.040 11 0 "[ . 1 . 2 . 3]"
1 58 ILE 1.127 0.133 23 0 "[ . 1 . 2 . 3]"
1 60 TRP 3.346 0.171 23 0 "[ . 1 . 2 . 3]"
1 62 SER 1.848 0.171 23 0 "[ . 1 . 2 . 3]"
1 65 PHE 2.590 0.240 23 0 "[ . 1 . 2 . 3]"
1 67 TRP 2.897 0.240 23 0 "[ . 1 . 2 . 3]"
1 70 VAL 1.472 0.349 28 0 "[ . 1 . 2 . 3]"
1 72 MET 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 95 TRP 1.472 0.349 28 0 "[ . 1 . 2 . 3]"
1 104 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 106 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 109 LEU 1.036 0.166 11 0 "[ . 1 . 2 . 3]"
1 110 GLY 0.202 0.090 17 0 "[ . 1 . 2 . 3]"
1 116 TYR 0.302 0.096 15 0 "[ . 1 . 2 . 3]"
1 118 ARG 0.478 0.096 15 0 "[ . 1 . 2 . 3]"
1 119 ILE 0.307 0.067 24 0 "[ . 1 . 2 . 3]"
1 120 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 122 GLN 0.075 0.055 20 0 "[ . 1 . 2 . 3]"
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 TRP HD1 1 9 PHE HZ 4.200 . 5.000 3.744 3.324 3.985 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 7 TRP HD1 1 122 GLN QB 4.200 . 5.000 2.586 1.887 3.587 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 7 TRP HE1 1 9 PHE HZ 4.200 . 5.000 4.947 4.661 5.062 0.062 29 0 "[ . 1 . 2 . 3]" 2
4 1 7 TRP HE1 1 9 PHE QE 4.200 . 5.000 5.105 5.037 5.211 0.211 13 0 "[ . 1 . 2 . 3]" 2
5 1 7 TRP HE1 1 122 GLN QG 4.200 . 5.000 4.213 3.118 5.055 0.055 20 0 "[ . 1 . 2 . 3]" 2
6 1 7 TRP HE1 1 122 GLN QB 4.200 . 5.000 4.225 3.597 4.946 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 7 TRP HE3 1 24 VAL H 4.200 . 5.000 2.335 1.878 2.693 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 7 TRP HZ2 1 23 ALA MB 4.200 . 5.000 4.994 4.775 5.085 0.085 24 0 "[ . 1 . 2 . 3]" 2
9 1 9 PHE QD 1 118 ARG QD 4.200 . 5.000 3.758 1.887 4.722 . 0 0 "[ . 1 . 2 . 3]" 2
10 1 9 PHE QD 1 118 ARG QB 4.200 . 5.000 3.046 2.542 4.190 . 0 0 "[ . 1 . 2 . 3]" 2
11 1 9 PHE QD 1 118 ARG H 4.200 . 5.000 4.942 4.675 5.036 0.036 4 0 "[ . 1 . 2 . 3]" 2
12 1 9 PHE QE 1 120 SER QB 4.200 . 5.000 2.110 1.833 3.470 . 0 0 "[ . 1 . 2 . 3]" 2
13 1 9 PHE HZ 1 23 ALA MB 4.200 . 5.000 4.537 3.992 4.923 . 0 0 "[ . 1 . 2 . 3]" 2
14 1 22 HIS HD2 1 34 VAL MG2 4.200 . 5.000 3.690 1.822 5.168 0.168 6 0 "[ . 1 . 2 . 3]" 2
15 1 22 HIS HD2 1 34 VAL MG1 4.200 . 5.000 2.904 1.757 4.960 0.043 26 0 "[ . 1 . 2 . 3]" 2
16 1 22 HIS HD2 1 44 LEU MD1 4.200 . 5.000 3.816 1.935 5.077 0.077 1 0 "[ . 1 . 2 . 3]" 2
17 1 51 VAL HA 1 55 HIS HE1 4.200 . 5.000 3.703 2.277 5.004 0.004 14 0 "[ . 1 . 2 . 3]" 2
18 1 51 VAL MG2 1 55 HIS HD1 4.200 . 5.000 2.702 1.853 4.507 . 0 0 "[ . 1 . 2 . 3]" 2
19 1 55 HIS HE2 1 110 GLY H 3.700 . 4.200 3.859 2.670 4.290 0.090 17 0 "[ . 1 . 2 . 3]" 2
20 1 55 HIS HE2 1 110 GLY QA 4.200 . 5.000 3.227 2.288 4.733 . 0 0 "[ . 1 . 2 . 3]" 2
21 1 55 HIS HE2 1 109 LEU MD2 4.200 . 5.000 4.956 4.208 5.166 0.166 11 0 "[ . 1 . 2 . 3]" 2
22 1 55 HIS HE2 1 109 LEU HA 4.200 . 5.000 3.419 2.699 4.842 . 0 0 "[ . 1 . 2 . 3]" 2
23 1 55 HIS HE2 1 109 LEU QB 4.200 . 5.000 3.690 2.384 4.104 . 0 0 "[ . 1 . 2 . 3]" 2
24 1 55 HIS HD2 1 56 ALA MB 4.200 . 5.000 3.587 2.406 5.040 0.040 11 0 "[ . 1 . 2 . 3]" 2
25 1 55 HIS HD2 1 109 LEU MD2 4.200 . 5.000 4.047 2.060 4.991 . 0 0 "[ . 1 . 2 . 3]" 2
26 1 60 TRP HD1 1 62 SER HA 4.200 . 5.000 3.606 2.829 4.021 . 0 0 "[ . 1 . 2 . 3]" 2
27 1 60 TRP HE1 1 62 SER QB 4.200 . 5.000 4.487 3.433 5.171 0.171 23 0 "[ . 1 . 2 . 3]" 2
28 1 60 TRP HE1 1 62 SER HA 4.200 . 5.000 4.913 4.564 5.116 0.116 9 0 "[ . 1 . 2 . 3]" 2
29 1 26 SER QB 1 60 TRP HE1 4.200 . 5.000 2.328 1.820 4.159 . 0 0 "[ . 1 . 2 . 3]" 2
30 1 58 ILE HB 1 60 TRP HE3 4.200 . 5.000 4.922 4.343 5.133 0.133 23 0 "[ . 1 . 2 . 3]" 2
31 1 32 LEU MD1 1 60 TRP HZ3 4.200 . 5.000 4.152 2.599 5.088 0.088 26 0 "[ . 1 . 2 . 3]" 2
32 1 32 LEU MD2 1 60 TRP HZ3 4.200 . 5.000 2.803 1.821 3.603 . 0 0 "[ . 1 . 2 . 3]" 2
33 1 32 LEU HG 1 60 TRP HZ3 4.200 . 5.000 3.877 3.325 4.790 . 0 0 "[ . 1 . 2 . 3]" 2
34 1 26 SER H 1 60 TRP HH2 4.200 . 5.000 4.427 3.662 4.997 . 0 0 "[ . 1 . 2 . 3]" 2
35 1 32 LEU MD2 1 60 TRP HH2 4.200 . 5.000 3.888 2.723 5.113 0.113 20 0 "[ . 1 . 2 . 3]" 2
36 1 65 PHE HA 1 67 TRP HD1 4.200 . 5.000 4.674 4.053 5.135 0.135 25 0 "[ . 1 . 2 . 3]" 2
37 1 65 PHE QB 1 67 TRP HD1 4.200 . 5.000 4.992 4.454 5.240 0.240 23 0 "[ . 1 . 2 . 3]" 2
38 1 67 TRP HD1 1 119 ILE MD 4.200 . 5.000 4.451 3.957 5.040 0.040 4 0 "[ . 1 . 2 . 3]" 2
39 1 67 TRP HD1 1 119 ILE MG 4.200 . 5.000 4.692 4.036 5.067 0.067 24 0 "[ . 1 . 2 . 3]" 2
40 1 70 VAL MG1 1 95 TRP HZ2 4.200 . 5.000 2.969 1.898 5.129 0.129 19 0 "[ . 1 . 2 . 3]" 2
41 1 70 VAL MG2 1 95 TRP HZ2 4.200 . 5.000 4.484 3.580 5.349 0.349 28 0 "[ . 1 . 2 . 3]" 2
42 1 72 MET ME 1 95 TRP HH2 4.200 . 5.000 3.332 2.635 4.545 . 0 0 "[ . 1 . 2 . 3]" 2
43 1 116 TYR QD 1 118 ARG QG 4.200 . 5.000 3.723 3.073 4.828 . 0 0 "[ . 1 . 2 . 3]" 2
44 1 106 ILE QG 1 116 TYR QD 4.200 . 5.000 4.125 3.675 4.760 . 0 0 "[ . 1 . 2 . 3]" 2
45 1 104 ASP HA 1 116 TYR QD 4.200 . 5.000 4.106 3.605 4.568 . 0 0 "[ . 1 . 2 . 3]" 2
46 1 104 ASP H 1 116 TYR QE 4.200 . 5.000 4.216 3.429 4.909 . 0 0 "[ . 1 . 2 . 3]" 2
47 1 104 ASP HA 1 116 TYR QE 4.200 . 5.000 2.820 2.240 3.405 . 0 0 "[ . 1 . 2 . 3]" 2
48 1 116 TYR QE 1 118 ARG QD 4.200 . 5.000 4.748 3.833 5.096 0.096 15 0 "[ . 1 . 2 . 3]" 2
49 1 116 TYR QE 1 118 ARG QB 4.200 . 5.000 4.247 3.015 4.950 . 0 0 "[ . 1 . 2 . 3]" 2
50 1 116 TYR QE 1 118 ARG QG 4.200 . 5.000 3.761 2.954 5.028 0.028 27 0 "[ . 1 . 2 . 3]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 4
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 75.840
_Distance_constraint_stats_list.Viol_max 0.177
_Distance_constraint_stats_list.Viol_rms 0.0429
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0211
_Distance_constraint_stats_list.Viol_average_violations_only 0.0702
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 LEU 2.528 0.177 2 0 "[ . 1 . 2 . 3]"
1 10 LEU 2.037 0.177 2 0 "[ . 1 . 2 . 3]"
1 117 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 119 ILE 0.491 0.141 24 0 "[ . 1 . 2 . 3]"
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 8 LEU CD1 1 119 ILE CA 4.200 . 5.000 4.770 4.427 4.985 . 0 0 "[ . 1 . 2 . 3]" 3
2 1 8 LEU CD1 1 10 LEU CB 4.200 . 5.000 5.039 4.650 5.177 0.177 2 0 "[ . 1 . 2 . 3]" 3
3 1 8 LEU CD1 1 117 VAL CG1 4.200 . 5.000 4.510 3.923 4.948 . 0 0 "[ . 1 . 2 . 3]" 3
4 1 8 LEU CD1 1 119 ILE CG2 4.200 . 5.000 4.953 4.323 5.141 0.141 24 0 "[ . 1 . 2 . 3]" 3
stop_
save_
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