NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447304 |
2kph   |
15601 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kph
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 1090
_Distance_constraint_stats_list.Viol_count 571
_Distance_constraint_stats_list.Viol_total 453.624
_Distance_constraint_stats_list.Viol_max 0.531
_Distance_constraint_stats_list.Viol_rms 0.0251
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0042
_Distance_constraint_stats_list.Viol_average_violations_only 0.0794
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.260 0.083 1 0 "[ . 1]"
1 3 GLU 0.260 0.083 1 0 "[ . 1]"
1 4 ILE 4.645 0.531 8 3 "[ * +-1]"
1 5 MET 5.285 0.531 8 3 "[ * +-1]"
1 6 LYS 0.342 0.198 8 0 "[ . 1]"
1 7 ASP 0.150 0.053 3 0 "[ . 1]"
1 8 LEU 0.448 0.162 2 0 "[ . 1]"
1 9 SER 0.412 0.059 3 0 "[ . 1]"
1 10 ILE 0.662 0.093 4 0 "[ . 1]"
1 11 ASN 0.774 0.093 4 0 "[ . 1]"
1 12 PHE 0.778 0.077 3 0 "[ . 1]"
1 13 GLY 0.000 0.000 . 0 "[ . 1]"
1 14 LYS 0.000 0.000 . 0 "[ . 1]"
1 15 ALA 0.160 0.045 8 0 "[ . 1]"
1 16 LEU 0.000 0.000 . 0 "[ . 1]"
1 17 ASP 0.197 0.045 8 0 "[ . 1]"
1 18 THR 0.160 0.045 8 0 "[ . 1]"
1 19 CYS 0.000 0.000 . 0 "[ . 1]"
1 20 LYS 1.075 0.128 8 0 "[ . 1]"
1 21 LYS 0.000 0.000 . 0 "[ . 1]"
1 22 GLU 0.489 0.105 6 0 "[ . 1]"
1 23 LEU 0.819 0.128 8 0 "[ . 1]"
1 24 ASP 0.220 0.145 6 0 "[ . 1]"
1 25 LEU 0.768 0.145 6 0 "[ . 1]"
1 26 PRO 0.000 0.000 . 0 "[ . 1]"
1 27 ASP 0.039 0.039 2 0 "[ . 1]"
1 28 SER 0.000 0.000 . 0 "[ . 1]"
1 29 ILE 0.039 0.039 2 0 "[ . 1]"
1 30 ASN 0.000 0.000 . 0 "[ . 1]"
1 31 GLU 0.000 0.000 . 0 "[ . 1]"
1 32 ASP 0.000 0.000 . 0 "[ . 1]"
1 33 PHE 0.410 0.181 10 0 "[ . 1]"
1 34 TYR 0.090 0.046 6 0 "[ . 1]"
1 35 LYS 0.058 0.046 6 0 "[ . 1]"
1 36 PHE 1.434 0.194 10 0 "[ . 1]"
1 37 TRP 0.764 0.181 10 0 "[ . 1]"
1 38 LYS 0.679 0.093 9 0 "[ . 1]"
1 39 GLU 0.868 0.132 9 0 "[ . 1]"
1 40 ASP 1.812 0.160 7 0 "[ . 1]"
1 41 TYR 1.040 0.160 7 0 "[ . 1]"
1 42 GLU 0.028 0.028 8 0 "[ . 1]"
1 43 ILE 1.390 0.499 5 0 "[ . 1]"
1 44 THR 1.718 0.499 5 0 "[ . 1]"
1 45 ASN 0.329 0.176 7 0 "[ . 1]"
1 46 ARG 0.094 0.079 7 0 "[ . 1]"
1 47 LEU 1.707 0.268 7 0 "[ . 1]"
1 48 THR 0.317 0.223 7 0 "[ . 1]"
1 49 GLY 1.930 0.268 7 0 "[ . 1]"
1 50 CYS 0.905 0.175 7 0 "[ . 1]"
1 51 ALA 0.000 0.000 . 0 "[ . 1]"
1 52 ILE 0.431 0.080 9 0 "[ . 1]"
1 53 LYS 0.000 0.000 . 0 "[ . 1]"
1 54 CYS 0.000 0.000 . 0 "[ . 1]"
1 55 LEU 0.299 0.073 3 0 "[ . 1]"
1 56 SER 0.150 0.067 8 0 "[ . 1]"
1 57 GLU 0.000 0.000 . 0 "[ . 1]"
1 58 LYS 0.000 0.000 . 0 "[ . 1]"
1 59 LEU 0.269 0.100 5 0 "[ . 1]"
1 60 GLU 0.000 0.000 . 0 "[ . 1]"
1 61 MET 0.000 0.000 . 0 "[ . 1]"
1 62 VAL 0.121 0.049 5 0 "[ . 1]"
1 63 ASP 0.033 0.033 8 0 "[ . 1]"
1 64 ALA 0.311 0.114 5 0 "[ . 1]"
1 65 ASP 0.412 0.063 6 0 "[ . 1]"
1 66 GLY 0.791 0.318 5 0 "[ . 1]"
1 67 LYS 0.633 0.318 5 0 "[ . 1]"
1 68 LEU 0.343 0.137 5 0 "[ . 1]"
1 69 HIS 0.331 0.100 5 0 "[ . 1]"
1 70 HIS 0.890 0.148 10 0 "[ . 1]"
1 71 GLY 0.141 0.049 2 0 "[ . 1]"
1 72 ASN 0.878 0.148 10 0 "[ . 1]"
1 73 ALA 0.025 0.015 2 0 "[ . 1]"
1 74 ARG 0.047 0.021 10 0 "[ . 1]"
1 75 GLU 0.021 0.021 10 0 "[ . 1]"
1 76 PHE 0.026 0.014 4 0 "[ . 1]"
1 77 ALA 0.005 0.005 7 0 "[ . 1]"
1 78 MET 0.416 0.083 5 0 "[ . 1]"
1 79 LYS 0.096 0.056 8 0 "[ . 1]"
1 80 HIS 0.472 0.080 2 0 "[ . 1]"
1 81 GLY 0.563 0.080 2 0 "[ . 1]"
1 82 ALA 0.421 0.083 5 0 "[ . 1]"
1 83 ASP 0.005 0.005 7 0 "[ . 1]"
1 84 ASP 0.308 0.067 8 0 "[ . 1]"
1 85 ALA 0.357 0.067 8 0 "[ . 1]"
1 86 MET 1.924 0.284 9 0 "[ . 1]"
1 87 ALA 0.714 0.074 7 0 "[ . 1]"
1 88 LYS 1.134 0.115 3 0 "[ . 1]"
1 89 GLN 0.492 0.061 3 0 "[ . 1]"
1 90 LEU 2.927 0.138 5 0 "[ . 1]"
1 91 VAL 3.550 0.326 3 0 "[ . 1]"
1 92 ASP 0.008 0.008 9 0 "[ . 1]"
1 93 LEU 1.983 0.149 10 0 "[ . 1]"
1 94 ILE 2.047 0.326 3 0 "[ . 1]"
1 95 HIS 1.680 0.245 3 0 "[ . 1]"
1 96 GLY 0.000 0.000 . 0 "[ . 1]"
1 97 CYS 0.000 0.000 . 0 "[ . 1]"
1 98 GLU 2.263 0.341 8 0 "[ . 1]"
1 99 LYS 0.075 0.035 10 0 "[ . 1]"
1 100 SER 2.263 0.341 8 0 "[ . 1]"
1 101 ILE 0.075 0.035 10 0 "[ . 1]"
1 102 PRO 0.000 0.000 . 0 "[ . 1]"
1 103 PRO 0.000 0.000 . 0 "[ . 1]"
1 104 ASN 0.724 0.405 7 0 "[ . 1]"
1 105 ASP 0.741 0.405 7 0 "[ . 1]"
1 106 ASP 1.222 0.144 8 0 "[ . 1]"
1 107 ARG 0.000 0.000 . 0 "[ . 1]"
1 108 CYS 1.232 0.175 7 0 "[ . 1]"
1 109 MET 2.083 0.205 4 0 "[ . 1]"
1 110 GLU 1.516 0.205 4 0 "[ . 1]"
1 111 VAL 0.822 0.132 2 0 "[ . 1]"
1 112 LEU 1.848 0.251 7 0 "[ . 1]"
1 113 SER 2.048 0.251 7 0 "[ . 1]"
1 114 ILE 0.696 0.100 8 0 "[ . 1]"
1 115 ALA 1.266 0.194 10 0 "[ . 1]"
1 116 MET 0.168 0.089 10 0 "[ . 1]"
1 117 CYS 0.000 0.000 . 0 "[ . 1]"
1 118 PHE 1.464 0.138 5 0 "[ . 1]"
1 119 LYS 0.055 0.055 3 0 "[ . 1]"
1 120 LYS 0.000 0.000 . 0 "[ . 1]"
1 121 GLU 0.029 0.029 2 0 "[ . 1]"
1 122 ILE 0.462 0.057 3 0 "[ . 1]"
1 123 HIS 0.466 0.057 3 0 "[ . 1]"
1 124 ASN 0.497 0.203 4 0 "[ . 1]"
1 125 LEU 0.352 0.072 2 0 "[ . 1]"
1 126 LYS 1.356 0.230 8 0 "[ . 1]"
1 127 TRP 3.064 0.284 9 0 "[ . 1]"
1 128 ALA 0.658 0.125 5 0 "[ . 1]"
1 129 PRO 0.898 0.467 5 0 "[ . 1]"
1 130 ASN 0.994 0.467 5 0 "[ . 1]"
1 131 MET 0.230 0.093 8 0 "[ . 1]"
1 132 GLU 0.022 0.018 9 0 "[ . 1]"
1 133 VAL 0.394 0.172 7 0 "[ . 1]"
1 134 VAL 0.230 0.093 8 0 "[ . 1]"
1 135 VAL 0.195 0.091 1 0 "[ . 1]"
1 136 GLY 0.351 0.077 3 0 "[ . 1]"
1 137 GLU 0.000 0.000 . 0 "[ . 1]"
1 138 VAL 0.640 0.122 1 0 "[ . 1]"
1 139 LEU 0.412 0.122 1 0 "[ . 1]"
1 140 ALA 0.110 0.048 4 0 "[ . 1]"
1 141 GLU 0.000 0.000 . 0 "[ . 1]"
1 142 VAL 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 GLU H 0.000 . 2.900 2.607 2.165 2.983 0.083 1 0 "[ . 1]" 1
2 1 3 GLU H 1 4 ILE H 0.000 . 5.000 3.925 2.444 4.672 . 0 0 "[ . 1]" 1
3 1 3 GLU HA 1 4 ILE H 0.000 . 2.900 2.547 2.143 2.849 . 0 0 "[ . 1]" 1
4 1 3 GLU QB 1 4 ILE H 0.000 . 4.500 2.928 1.753 4.028 . 0 0 "[ . 1]" 1
5 1 4 ILE H 1 5 MET H 0.000 . 3.500 3.175 2.113 4.014 0.514 5 1 "[ + 1]" 1
6 1 4 ILE HA 1 5 MET H 0.000 . 2.900 3.121 2.028 3.431 0.531 8 2 "[ . +-1]" 1
7 1 4 ILE HB 1 5 MET H 0.000 . 3.500 2.460 1.649 3.667 0.167 5 0 "[ . 1]" 1
8 1 4 ILE MD 1 5 MET H 0.000 . 5.000 3.683 2.367 4.102 . 0 0 "[ . 1]" 1
9 1 5 MET H 1 6 LYS H 0.000 . 3.500 2.898 2.300 3.698 0.198 8 0 "[ . 1]" 1
10 1 5 MET HA 1 6 LYS H 0.000 . 3.500 2.882 2.084 3.559 0.059 5 0 "[ . 1]" 1
11 1 5 MET HA 1 8 LEU H 0.000 . 5.000 4.652 3.704 5.162 0.162 2 0 "[ . 1]" 1
12 1 5 MET QB 1 6 LYS H 0.000 . 6.000 3.379 1.882 4.022 . 0 0 "[ . 1]" 1
13 1 6 LYS H 1 7 ASP H 0.000 . 3.500 2.621 1.636 3.450 . 0 0 "[ . 1]" 1
14 1 6 LYS HA 1 7 ASP H 0.000 . 5.000 3.099 2.621 3.570 . 0 0 "[ . 1]" 1
15 1 7 ASP HA 1 8 LEU H 0.000 . 3.500 3.146 2.261 3.553 0.053 3 0 "[ . 1]" 1
16 1 7 ASP HA 1 8 LEU QD 0.000 . 8.000 5.162 4.669 5.489 . 0 0 "[ . 1]" 1
17 1 8 LEU H 1 9 SER H 0.000 . 3.500 2.271 1.580 3.128 . 0 0 "[ . 1]" 1
18 1 8 LEU H 1 10 ILE H 0.000 . 5.000 3.877 2.606 4.705 . 0 0 "[ . 1]" 1
19 1 8 LEU HA 1 11 ASN QB 0.000 . 4.300 2.744 2.322 3.230 . 0 0 "[ . 1]" 1
20 1 8 LEU HA 1 12 PHE QD 0.000 . 6.000 4.434 4.024 4.909 . 0 0 "[ . 1]" 1
21 1 8 LEU QD 1 12 PHE H 0.000 . 8.000 3.762 2.635 4.325 . 0 0 "[ . 1]" 1
22 1 8 LEU QD 1 12 PHE QB 0.000 . 7.300 3.752 2.096 4.288 . 0 0 "[ . 1]" 1
23 1 8 LEU QD 1 12 PHE QD 0.000 . 6.900 2.610 2.213 3.248 . 0 0 "[ . 1]" 1
24 1 8 LEU QD 1 12 PHE HZ 0.000 . 8.000 4.441 3.812 4.868 . 0 0 "[ . 1]" 1
25 1 8 LEU QD 1 62 VAL QG 0.000 . 9.300 4.064 3.155 4.777 . 0 0 "[ . 1]" 1
26 1 8 LEU QD 1 76 PHE QE 0.000 . 7.300 3.357 2.288 4.558 . 0 0 "[ . 1]" 1
27 1 8 LEU QD 1 76 PHE HZ 0.000 . 5.900 3.365 2.383 4.040 . 0 0 "[ . 1]" 1
28 1 8 LEU QD 1 80 HIS HE1 0.000 . 5.900 3.214 2.418 3.862 . 0 0 "[ . 1]" 1
29 1 8 LEU QD 1 132 GLU HA 0.000 . 6.300 3.991 2.760 4.557 . 0 0 "[ . 1]" 1
30 1 8 LEU QD 1 132 GLU QB 0.000 . 7.300 2.760 1.975 3.785 . 0 0 "[ . 1]" 1
31 1 9 SER H 1 10 ILE H 0.000 . 5.000 2.829 2.453 3.327 . 0 0 "[ . 1]" 1
32 1 9 SER HA 1 10 ILE H 0.000 . 3.500 3.541 3.505 3.559 0.059 3 0 "[ . 1]" 1
33 1 9 SER HA 1 11 ASN H 0.000 . 5.000 4.548 4.368 4.793 . 0 0 "[ . 1]" 1
34 1 9 SER QB 1 10 ILE H 0.000 . 4.500 2.217 1.684 3.127 . 0 0 "[ . 1]" 1
35 1 10 ILE H 1 11 ASN H 0.000 . 5.000 2.824 2.692 2.968 . 0 0 "[ . 1]" 1
36 1 10 ILE HA 1 11 ASN H 0.000 . 5.000 3.551 3.538 3.575 . 0 0 "[ . 1]" 1
37 1 10 ILE HB 1 11 ASN H 0.000 . 3.500 2.992 2.133 3.593 0.093 4 0 "[ . 1]" 1
38 1 11 ASN H 1 12 PHE H 0.000 . 5.000 3.043 2.778 3.233 . 0 0 "[ . 1]" 1
39 1 11 ASN HA 1 12 PHE H 0.000 . 3.500 3.552 3.546 3.559 0.059 4 0 "[ . 1]" 1
40 1 11 ASN HA 1 14 LYS H 0.000 . 5.000 3.431 3.176 3.754 . 0 0 "[ . 1]" 1
41 1 11 ASN QB 1 12 PHE H 0.000 . 6.000 2.126 1.809 3.060 . 0 0 "[ . 1]" 1
42 1 12 PHE HA 1 13 GLY H 0.000 . 5.000 3.485 3.436 3.547 . 0 0 "[ . 1]" 1
43 1 12 PHE HA 1 15 ALA H 0.000 . 5.000 3.689 3.492 3.979 . 0 0 "[ . 1]" 1
44 1 12 PHE HA 1 15 ALA MB 0.000 . 4.400 3.028 2.668 3.263 . 0 0 "[ . 1]" 1
45 1 12 PHE HA 1 16 LEU H 0.000 . 5.000 4.237 4.006 4.538 . 0 0 "[ . 1]" 1
46 1 12 PHE HA 1 55 LEU QD 0.000 . 6.300 4.368 3.666 4.671 . 0 0 "[ . 1]" 1
47 1 12 PHE HA 1 62 VAL HA 0.000 . 5.000 4.146 3.535 5.039 0.039 2 0 "[ . 1]" 1
48 1 12 PHE HA 1 62 VAL QG 0.000 . 6.300 3.510 2.765 4.373 . 0 0 "[ . 1]" 1
49 1 12 PHE QB 1 13 GLY H 0.000 . 6.000 2.854 2.613 3.027 . 0 0 "[ . 1]" 1
50 1 12 PHE QD 1 13 GLY H 0.000 . 6.000 4.653 4.526 4.761 . 0 0 "[ . 1]" 1
51 1 12 PHE QD 1 55 LEU QD 0.000 . 7.300 3.332 2.630 4.518 . 0 0 "[ . 1]" 1
52 1 12 PHE QD 1 62 VAL QG 0.000 . 7.300 3.224 2.350 3.756 . 0 0 "[ . 1]" 1
53 1 12 PHE QE 1 62 VAL QG 0.000 . 7.300 2.567 2.144 3.023 . 0 0 "[ . 1]" 1
54 1 12 PHE QE 1 132 GLU HA 0.000 . 6.000 3.106 2.292 4.130 . 0 0 "[ . 1]" 1
55 1 12 PHE QE 1 139 LEU QD 0.000 . 7.300 3.254 2.489 4.488 . 0 0 "[ . 1]" 1
56 1 12 PHE HZ 1 55 LEU QD 0.000 . 8.000 4.835 4.520 5.275 . 0 0 "[ . 1]" 1
57 1 12 PHE HZ 1 62 VAL QG 0.000 . 6.300 3.013 2.311 3.717 . 0 0 "[ . 1]" 1
58 1 12 PHE HZ 1 135 VAL HB 0.000 . 3.300 3.065 2.789 3.296 . 0 0 "[ . 1]" 1
59 1 12 PHE HZ 1 135 VAL QG 0.000 . 6.300 2.644 2.235 3.106 . 0 0 "[ . 1]" 1
60 1 12 PHE HZ 1 136 GLY H 0.000 . 3.500 3.508 3.405 3.577 0.077 3 0 "[ . 1]" 1
61 1 13 GLY H 1 14 LYS H 0.000 . 3.500 2.635 2.506 2.764 . 0 0 "[ . 1]" 1
62 1 13 GLY QA 1 14 LYS H 0.000 . 6.000 2.671 2.564 2.736 . 0 0 "[ . 1]" 1
63 1 13 GLY QA 1 16 LEU H 0.000 . 6.000 3.430 3.181 3.748 . 0 0 "[ . 1]" 1
64 1 13 GLY QA 1 16 LEU QB 0.000 . 4.900 2.560 2.181 2.903 . 0 0 "[ . 1]" 1
65 1 13 GLY QA 1 16 LEU QD 0.000 . 7.300 3.386 2.484 4.247 . 0 0 "[ . 1]" 1
66 1 13 GLY QA 1 34 TYR HH 0.000 . 4.300 3.093 2.235 3.641 . 0 0 "[ . 1]" 1
67 1 14 LYS HA 1 17 ASP H 0.000 . 5.000 3.569 3.253 3.798 . 0 0 "[ . 1]" 1
68 1 14 LYS HA 1 17 ASP QB 0.000 . 3.900 2.593 2.305 2.874 . 0 0 "[ . 1]" 1
69 1 14 LYS QB 1 15 ALA H 0.000 . 4.500 2.313 2.082 2.645 . 0 0 "[ . 1]" 1
70 1 15 ALA H 1 16 LEU H 0.000 . 3.500 2.819 2.615 3.041 . 0 0 "[ . 1]" 1
71 1 15 ALA HA 1 16 LEU H 0.000 . 5.000 3.563 3.545 3.575 . 0 0 "[ . 1]" 1
72 1 15 ALA HA 1 18 THR H 0.000 . 5.000 3.610 3.489 3.759 . 0 0 "[ . 1]" 1
73 1 15 ALA HA 1 18 THR HB 0.000 . 2.900 2.913 2.886 2.945 0.045 8 0 "[ . 1]" 1
74 1 15 ALA HA 1 55 LEU QD 0.000 . 8.000 4.289 3.869 4.740 . 0 0 "[ . 1]" 1
75 1 15 ALA HA 1 61 MET QB 0.000 . 4.300 3.750 3.045 3.937 . 0 0 "[ . 1]" 1
76 1 15 ALA MB 1 16 LEU H 0.000 . 6.000 2.267 2.119 2.383 . 0 0 "[ . 1]" 1
77 1 15 ALA MB 1 55 LEU QD 0.000 . 7.800 2.271 1.989 2.645 . 0 0 "[ . 1]" 1
78 1 15 ALA MB 1 58 LYS QB 0.000 . 7.500 2.924 2.446 3.491 . 0 0 "[ . 1]" 1
79 1 15 ALA MB 1 62 VAL H 0.000 . 6.500 4.029 3.336 4.516 . 0 0 "[ . 1]" 1
80 1 15 ALA MB 1 62 VAL HA 0.000 . 6.500 3.325 2.908 4.190 . 0 0 "[ . 1]" 1
81 1 15 ALA MB 1 62 VAL QG 0.000 . 7.800 2.666 2.024 3.177 . 0 0 "[ . 1]" 1
82 1 16 LEU H 1 55 LEU QD 0.000 . 6.500 3.672 3.284 4.221 . 0 0 "[ . 1]" 1
83 1 16 LEU HA 1 17 ASP H 0.000 . 5.000 3.538 3.519 3.570 . 0 0 "[ . 1]" 1
84 1 16 LEU HA 1 19 CYS H 0.000 . 5.000 3.558 3.427 3.711 . 0 0 "[ . 1]" 1
85 1 16 LEU HA 1 19 CYS QB 0.000 . 3.900 2.835 2.606 3.163 . 0 0 "[ . 1]" 1
86 1 16 LEU HA 1 55 LEU QD 0.000 . 6.300 3.340 2.818 3.895 . 0 0 "[ . 1]" 1
87 1 16 LEU QB 1 17 ASP H 0.000 . 4.500 2.536 2.172 2.716 . 0 0 "[ . 1]" 1
88 1 16 LEU QD 1 30 ASN HA 0.000 . 5.900 3.702 3.187 4.310 . 0 0 "[ . 1]" 1
89 1 16 LEU QD 1 33 PHE QD 0.000 . 7.300 3.085 2.494 3.968 . 0 0 "[ . 1]" 1
90 1 16 LEU QD 1 33 PHE HZ 0.000 . 6.300 4.460 4.227 4.588 . 0 0 "[ . 1]" 1
91 1 16 LEU QD 1 34 TYR QE 0.000 . 7.300 2.891 2.230 3.543 . 0 0 "[ . 1]" 1
92 1 16 LEU QD 1 51 ALA MB 0.000 . 9.000 3.490 3.077 3.869 . 0 0 "[ . 1]" 1
93 1 17 ASP H 1 18 THR H 0.000 . 3.500 2.789 2.692 2.997 . 0 0 "[ . 1]" 1
94 1 17 ASP H 1 19 CYS H 0.000 . 5.000 4.258 4.074 4.489 . 0 0 "[ . 1]" 1
95 1 17 ASP HA 1 18 THR H 0.000 . 5.000 3.561 3.541 3.578 . 0 0 "[ . 1]" 1
96 1 17 ASP HA 1 19 CYS H 0.000 . 5.000 4.432 4.164 4.692 . 0 0 "[ . 1]" 1
97 1 17 ASP HA 1 20 LYS H 0.000 . 3.500 3.448 3.217 3.545 0.045 8 0 "[ . 1]" 1
98 1 17 ASP HA 1 20 LYS QB 0.000 . 3.900 2.433 2.189 2.874 . 0 0 "[ . 1]" 1
99 1 17 ASP HA 1 21 LYS H 0.000 . 5.000 4.272 3.789 4.618 . 0 0 "[ . 1]" 1
100 1 17 ASP QB 1 18 THR H 0.000 . 4.500 2.303 2.140 2.550 . 0 0 "[ . 1]" 1
101 1 18 THR H 1 19 CYS H 0.000 . 3.500 2.855 2.730 2.989 . 0 0 "[ . 1]" 1
102 1 18 THR H 1 20 LYS H 0.000 . 5.000 4.409 4.069 4.748 . 0 0 "[ . 1]" 1
103 1 18 THR HA 1 19 CYS H 0.000 . 5.000 3.552 3.527 3.576 . 0 0 "[ . 1]" 1
104 1 18 THR HA 1 21 LYS H 0.000 . 5.000 3.616 3.346 3.849 . 0 0 "[ . 1]" 1
105 1 18 THR HA 1 21 LYS QB 0.000 . 3.900 2.896 2.684 3.133 . 0 0 "[ . 1]" 1
106 1 18 THR HA 1 22 GLU H 0.000 . 5.000 4.628 4.448 4.787 . 0 0 "[ . 1]" 1
107 1 19 CYS H 1 20 LYS H 0.000 . 3.500 2.794 2.604 2.909 . 0 0 "[ . 1]" 1
108 1 19 CYS HA 1 20 LYS H 0.000 . 5.000 3.558 3.531 3.569 . 0 0 "[ . 1]" 1
109 1 19 CYS HA 1 22 GLU H 0.000 . 3.500 3.188 2.936 3.384 . 0 0 "[ . 1]" 1
110 1 19 CYS HA 1 22 GLU QB 0.000 . 3.900 2.711 2.155 3.329 . 0 0 "[ . 1]" 1
111 1 19 CYS HA 1 23 LEU H 0.000 . 5.000 3.583 2.930 4.087 . 0 0 "[ . 1]" 1
112 1 19 CYS HA 1 23 LEU QD 0.000 . 6.300 3.283 2.491 3.849 . 0 0 "[ . 1]" 1
113 1 19 CYS QB 1 20 LYS H 0.000 . 4.500 2.456 2.042 3.116 . 0 0 "[ . 1]" 1
114 1 19 CYS QB 1 51 ALA HA 0.000 . 6.000 4.638 4.246 5.126 . 0 0 "[ . 1]" 1
115 1 19 CYS QB 1 51 ALA MB 0.000 . 7.000 4.307 3.779 4.726 . 0 0 "[ . 1]" 1
116 1 19 CYS QB 1 54 CYS QB 0.000 . 7.000 3.603 3.120 4.316 . 0 0 "[ . 1]" 1
117 1 19 CYS QB 1 55 LEU QD 0.000 . 9.000 3.954 3.050 4.849 . 0 0 "[ . 1]" 1
118 1 20 LYS H 1 21 LYS H 0.000 . 3.500 2.837 2.684 2.997 . 0 0 "[ . 1]" 1
119 1 20 LYS H 1 22 GLU H 0.000 . 5.000 4.181 3.767 4.559 . 0 0 "[ . 1]" 1
120 1 20 LYS H 1 23 LEU HG 0.000 . 5.000 4.990 4.762 5.128 0.128 8 0 "[ . 1]" 1
121 1 20 LYS HA 1 23 LEU H 0.000 . 5.000 3.526 3.157 4.200 . 0 0 "[ . 1]" 1
122 1 20 LYS HA 1 23 LEU QB 0.000 . 6.000 3.239 2.351 5.253 . 0 0 "[ . 1]" 1
123 1 20 LYS HA 1 24 ASP H 0.000 . 5.000 3.341 2.736 4.440 . 0 0 "[ . 1]" 1
124 1 20 LYS HA 1 25 LEU H 0.000 . 2.900 2.482 2.089 2.817 . 0 0 "[ . 1]" 1
125 1 20 LYS HA 1 25 LEU QB 0.000 . 4.300 2.935 2.154 3.719 . 0 0 "[ . 1]" 1
126 1 20 LYS HA 1 25 LEU QD 0.000 . 6.300 2.733 2.071 3.560 . 0 0 "[ . 1]" 1
127 1 20 LYS HA 1 25 LEU HG 0.000 . 2.900 2.935 2.785 3.012 0.112 9 0 "[ . 1]" 1
128 1 21 LYS H 1 22 GLU H 0.000 . 3.500 2.554 2.279 2.801 . 0 0 "[ . 1]" 1
129 1 21 LYS H 1 23 LEU H 0.000 . 5.000 4.016 3.673 4.441 . 0 0 "[ . 1]" 1
130 1 21 LYS HA 1 24 ASP H 0.000 . 5.000 3.831 3.560 4.076 . 0 0 "[ . 1]" 1
131 1 21 LYS QB 1 22 GLU H 0.000 . 4.500 2.683 2.248 3.038 . 0 0 "[ . 1]" 1
132 1 22 GLU H 1 23 LEU H 0.000 . 3.500 2.339 2.271 2.447 . 0 0 "[ . 1]" 1
133 1 22 GLU H 1 23 LEU HA 0.000 . 5.000 5.049 5.017 5.105 0.105 6 0 "[ . 1]" 1
134 1 22 GLU H 1 24 ASP H 0.000 . 5.000 3.548 3.308 3.756 . 0 0 "[ . 1]" 1
135 1 22 GLU HA 1 23 LEU H 0.000 . 5.000 3.518 3.437 3.564 . 0 0 "[ . 1]" 1
136 1 22 GLU HA 1 24 ASP H 0.000 . 5.000 4.167 3.815 4.771 . 0 0 "[ . 1]" 1
137 1 22 GLU QB 1 23 LEU H 0.000 . 4.500 2.610 2.292 2.942 . 0 0 "[ . 1]" 1
138 1 23 LEU H 1 24 ASP H 0.000 . 3.500 2.317 1.799 2.660 . 0 0 "[ . 1]" 1
139 1 23 LEU H 1 25 LEU QD 0.000 . 8.000 4.398 3.702 4.902 . 0 0 "[ . 1]" 1
140 1 23 LEU QB 1 25 LEU QD 0.000 . 7.300 2.587 2.032 4.063 . 0 0 "[ . 1]" 1
141 1 23 LEU QD 1 50 CYS QB 0.000 . 9.000 3.372 2.260 4.025 . 0 0 "[ . 1]" 1
142 1 23 LEU QD 1 51 ALA H 0.000 . 6.500 4.200 3.618 4.686 . 0 0 "[ . 1]" 1
143 1 23 LEU QD 1 51 ALA HA 0.000 . 6.300 3.164 2.378 3.699 . 0 0 "[ . 1]" 1
144 1 23 LEU QD 1 54 CYS H 0.000 . 8.000 4.638 4.089 5.317 . 0 0 "[ . 1]" 1
145 1 23 LEU QD 1 54 CYS HA 0.000 . 8.000 4.979 4.584 5.483 . 0 0 "[ . 1]" 1
146 1 23 LEU QD 1 54 CYS QB 0.000 . 6.900 3.126 2.475 3.610 . 0 0 "[ . 1]" 1
147 1 24 ASP H 1 25 LEU H 0.000 . 3.500 3.009 2.636 3.536 0.036 9 0 "[ . 1]" 1
148 1 24 ASP HA 1 25 LEU H 0.000 . 2.900 2.617 2.179 3.045 0.145 6 0 "[ . 1]" 1
149 1 24 ASP QB 1 25 LEU H 0.000 . 4.500 3.857 3.593 4.024 . 0 0 "[ . 1]" 1
150 1 25 LEU H 1 26 PRO QD 0.000 . 6.000 4.208 3.995 4.325 . 0 0 "[ . 1]" 1
151 1 25 LEU HA 1 26 PRO QD 0.000 . 3.900 1.941 1.927 2.002 . 0 0 "[ . 1]" 1
152 1 25 LEU HA 1 47 LEU QD 0.000 . 6.300 4.070 3.420 4.582 . 0 0 "[ . 1]" 1
153 1 25 LEU QD 1 29 ILE QG 0.000 . 8.800 2.835 2.423 3.362 . 0 0 "[ . 1]" 1
154 1 25 LEU QD 1 30 ASN H 0.000 . 6.500 4.597 3.577 4.911 . 0 0 "[ . 1]" 1
155 1 25 LEU QD 1 47 LEU QD 0.000 . 9.300 2.642 1.870 3.448 . 0 0 "[ . 1]" 1
156 1 25 LEU QD 1 48 THR H 0.000 . 8.000 4.557 3.702 5.166 . 0 0 "[ . 1]" 1
157 1 25 LEU QD 1 48 THR HA 0.000 . 8.000 3.840 2.952 4.668 . 0 0 "[ . 1]" 1
158 1 25 LEU QD 1 50 CYS QB 0.000 . 9.000 4.854 4.466 5.168 . 0 0 "[ . 1]" 1
159 1 25 LEU QD 1 51 ALA H 0.000 . 6.500 4.559 4.095 4.775 . 0 0 "[ . 1]" 1
160 1 25 LEU QD 1 51 ALA HA 0.000 . 6.300 4.155 3.709 4.432 . 0 0 "[ . 1]" 1
161 1 25 LEU QD 1 51 ALA MB 0.000 . 7.400 2.826 2.365 3.272 . 0 0 "[ . 1]" 1
162 1 26 PRO HA 1 27 ASP H 0.000 . 2.900 2.265 2.164 2.751 . 0 0 "[ . 1]" 1
163 1 26 PRO HA 1 28 SER H 0.000 . 5.000 4.126 3.774 4.706 . 0 0 "[ . 1]" 1
164 1 26 PRO QB 1 27 ASP H 0.000 . 4.500 3.159 1.953 3.654 . 0 0 "[ . 1]" 1
165 1 26 PRO QB 1 28 SER H 0.000 . 4.500 2.937 2.465 3.483 . 0 0 "[ . 1]" 1
166 1 27 ASP H 1 28 SER H 0.000 . 3.500 2.801 2.078 3.160 . 0 0 "[ . 1]" 1
167 1 27 ASP H 1 29 ILE H 0.000 . 5.000 4.313 3.805 5.039 0.039 2 0 "[ . 1]" 1
168 1 27 ASP HA 1 29 ILE H 0.000 . 5.000 3.926 3.673 4.349 . 0 0 "[ . 1]" 1
169 1 27 ASP HA 1 30 ASN H 0.000 . 5.000 2.800 2.693 2.926 . 0 0 "[ . 1]" 1
170 1 27 ASP QB 1 28 SER H 0.000 . 4.500 2.682 2.108 3.336 . 0 0 "[ . 1]" 1
171 1 27 ASP QB 1 30 ASN H 0.000 . 4.500 4.254 4.110 4.384 . 0 0 "[ . 1]" 1
172 1 28 SER H 1 29 ILE H 0.000 . 3.500 2.872 2.776 3.097 . 0 0 "[ . 1]" 1
173 1 28 SER HA 1 31 GLU H 0.000 . 5.000 3.795 3.615 3.974 . 0 0 "[ . 1]" 1
174 1 28 SER HA 1 31 GLU QB 0.000 . 3.900 3.262 3.107 3.497 . 0 0 "[ . 1]" 1
175 1 28 SER HA 1 32 ASP H 0.000 . 5.000 4.371 4.094 4.597 . 0 0 "[ . 1]" 1
176 1 28 SER QB 1 29 ILE H 0.000 . 4.500 2.955 2.417 3.343 . 0 0 "[ . 1]" 1
177 1 29 ILE HA 1 32 ASP QB 0.000 . 3.900 2.671 2.319 3.201 . 0 0 "[ . 1]" 1
178 1 29 ILE HA 1 33 PHE H 0.000 . 5.000 3.683 3.320 4.142 . 0 0 "[ . 1]" 1
179 1 29 ILE HB 1 30 ASN H 0.000 . 3.500 2.833 2.667 3.342 . 0 0 "[ . 1]" 1
180 1 29 ILE QG 1 47 LEU QB 0.000 . 7.300 3.805 2.787 4.537 . 0 0 "[ . 1]" 1
181 1 29 ILE QG 1 48 THR HB 0.000 . 6.300 4.602 4.242 4.820 . 0 0 "[ . 1]" 1
182 1 30 ASN H 1 32 ASP H 0.000 . 5.000 4.469 4.246 4.603 . 0 0 "[ . 1]" 1
183 1 30 ASN HA 1 33 PHE H 0.000 . 5.000 3.659 3.461 3.897 . 0 0 "[ . 1]" 1
184 1 30 ASN HA 1 33 PHE QB 0.000 . 3.900 2.486 2.277 2.831 . 0 0 "[ . 1]" 1
185 1 30 ASN QB 1 31 GLU H 0.000 . 4.500 2.595 2.309 3.334 . 0 0 "[ . 1]" 1
186 1 30 ASN QB 1 34 TYR QE 0.000 . 7.000 4.373 3.522 5.023 . 0 0 "[ . 1]" 1
187 1 31 GLU H 1 32 ASP H 0.000 . 3.500 2.772 2.667 2.885 . 0 0 "[ . 1]" 1
188 1 31 GLU H 1 33 PHE H 0.000 . 5.000 3.869 3.612 4.118 . 0 0 "[ . 1]" 1
189 1 31 GLU HA 1 34 TYR H 0.000 . 5.000 3.490 3.344 3.608 . 0 0 "[ . 1]" 1
190 1 31 GLU HA 1 34 TYR QB 0.000 . 4.300 2.802 2.329 3.289 . 0 0 "[ . 1]" 1
191 1 31 GLU HA 1 34 TYR QD 0.000 . 4.300 3.019 2.251 4.248 . 0 0 "[ . 1]" 1
192 1 31 GLU QB 1 32 ASP H 0.000 . 4.500 2.195 2.036 2.375 . 0 0 "[ . 1]" 1
193 1 32 ASP H 1 33 PHE H 0.000 . 3.500 2.687 2.586 2.786 . 0 0 "[ . 1]" 1
194 1 32 ASP HA 1 41 TYR QE 0.000 . 6.000 4.793 3.697 5.486 . 0 0 "[ . 1]" 1
195 1 32 ASP QB 1 33 PHE H 0.000 . 4.500 2.692 2.481 3.226 . 0 0 "[ . 1]" 1
196 1 33 PHE H 1 34 TYR H 0.000 . 3.500 2.688 2.451 2.948 . 0 0 "[ . 1]" 1
197 1 33 PHE HA 1 34 TYR H 0.000 . 5.000 3.503 3.410 3.578 . 0 0 "[ . 1]" 1
198 1 33 PHE HA 1 36 PHE H 0.000 . 5.000 3.457 3.244 3.677 . 0 0 "[ . 1]" 1
199 1 33 PHE HA 1 36 PHE QB 0.000 . 3.900 2.743 2.388 3.025 . 0 0 "[ . 1]" 1
200 1 33 PHE HA 1 37 TRP H 0.000 . 5.000 5.008 4.892 5.181 0.181 10 0 "[ . 1]" 1
201 1 33 PHE HA 1 37 TRP HE1 0.000 . 5.000 4.251 3.846 4.871 . 0 0 "[ . 1]" 1
202 1 33 PHE HA 1 43 ILE MG 0.000 . 6.500 3.151 2.152 5.317 . 0 0 "[ . 1]" 1
203 1 33 PHE HA 1 48 THR MG 0.000 . 4.800 3.703 3.398 3.894 . 0 0 "[ . 1]" 1
204 1 33 PHE QB 1 34 TYR H 0.000 . 4.500 2.570 2.123 3.053 . 0 0 "[ . 1]" 1
205 1 33 PHE QD 1 34 TYR H 0.000 . 4.500 3.961 3.288 4.409 . 0 0 "[ . 1]" 1
206 1 33 PHE QD 1 48 THR MG 0.000 . 7.500 2.304 2.084 3.257 . 0 0 "[ . 1]" 1
207 1 33 PHE QD 1 51 ALA MB 0.000 . 7.500 4.359 3.823 4.840 . 0 0 "[ . 1]" 1
208 1 33 PHE QE 1 51 ALA MB 0.000 . 5.800 3.313 2.419 4.070 . 0 0 "[ . 1]" 1
209 1 33 PHE HZ 1 37 TRP HE1 0.000 . 5.000 2.950 2.319 3.701 . 0 0 "[ . 1]" 1
210 1 33 PHE HZ 1 43 ILE QG 0.000 . 6.000 5.186 5.084 5.367 . 0 0 "[ . 1]" 1
211 1 33 PHE HZ 1 48 THR MG 0.000 . 6.500 3.537 2.729 4.398 . 0 0 "[ . 1]" 1
212 1 33 PHE HZ 1 55 LEU QD 0.000 . 6.300 3.914 3.675 4.268 . 0 0 "[ . 1]" 1
213 1 34 TYR H 1 35 LYS H 0.000 . 3.500 2.665 2.460 2.837 . 0 0 "[ . 1]" 1
214 1 34 TYR H 1 37 TRP HD1 0.000 . 5.000 4.748 4.411 5.007 0.007 7 0 "[ . 1]" 1
215 1 34 TYR HA 1 35 LYS H 0.000 . 5.000 3.533 3.486 3.566 . 0 0 "[ . 1]" 1
216 1 34 TYR HA 1 35 LYS HA 0.000 . 5.000 4.772 4.709 4.842 . 0 0 "[ . 1]" 1
217 1 34 TYR HA 1 37 TRP H 0.000 . 5.000 3.930 3.786 4.156 . 0 0 "[ . 1]" 1
218 1 34 TYR HA 1 37 TRP QB 0.000 . 6.000 4.267 3.892 4.570 . 0 0 "[ . 1]" 1
219 1 34 TYR HA 1 37 TRP HD1 0.000 . 2.900 2.715 2.452 2.916 0.016 7 0 "[ . 1]" 1
220 1 34 TYR HA 1 37 TRP HE1 0.000 . 5.000 4.428 3.879 4.775 . 0 0 "[ . 1]" 1
221 1 34 TYR QB 1 35 LYS H 0.000 . 4.500 2.549 2.301 2.739 . 0 0 "[ . 1]" 1
222 1 34 TYR QD 1 35 LYS H 0.000 . 4.500 4.412 4.143 4.546 0.046 6 0 "[ . 1]" 1
223 1 34 TYR QD 1 37 TRP HD1 0.000 . 5.300 4.312 4.045 5.017 . 0 0 "[ . 1]" 1
224 1 35 LYS H 1 36 PHE H 0.000 . 3.500 2.650 2.544 2.839 . 0 0 "[ . 1]" 1
225 1 35 LYS HA 1 36 PHE H 0.000 . 5.000 3.487 3.395 3.574 . 0 0 "[ . 1]" 1
226 1 35 LYS HA 1 38 LYS H 0.000 . 5.000 4.007 3.196 4.719 . 0 0 "[ . 1]" 1
227 1 35 LYS HA 1 38 LYS QB 0.000 . 3.900 2.595 2.139 2.945 . 0 0 "[ . 1]" 1
228 1 35 LYS QB 1 36 PHE H 0.000 . 4.500 2.786 2.344 3.149 . 0 0 "[ . 1]" 1
229 1 36 PHE H 1 37 TRP H 0.000 . 3.500 2.880 2.629 3.084 . 0 0 "[ . 1]" 1
230 1 36 PHE H 1 41 TYR QD 0.000 . 6.000 3.275 2.388 3.736 . 0 0 "[ . 1]" 1
231 1 36 PHE HA 1 36 PHE QD 0.000 . 4.300 2.222 2.130 2.459 . 0 0 "[ . 1]" 1
232 1 36 PHE HA 1 37 TRP H 0.000 . 5.000 3.559 3.532 3.598 . 0 0 "[ . 1]" 1
233 1 36 PHE HA 1 39 GLU QG 0.000 . 6.000 5.126 3.961 5.586 . 0 0 "[ . 1]" 1
234 1 36 PHE HA 1 41 TYR H 0.000 . 5.000 3.406 2.844 3.734 . 0 0 "[ . 1]" 1
235 1 36 PHE HA 1 41 TYR QB 0.000 . 6.000 2.240 2.137 2.465 . 0 0 "[ . 1]" 1
236 1 36 PHE HA 1 41 TYR QD 0.000 . 3.900 2.444 2.167 3.024 . 0 0 "[ . 1]" 1
237 1 36 PHE HA 1 41 TYR QE 0.000 . 6.000 4.621 4.259 5.243 . 0 0 "[ . 1]" 1
238 1 36 PHE QB 1 37 TRP H 0.000 . 4.500 2.506 2.267 2.725 . 0 0 "[ . 1]" 1
239 1 36 PHE QB 1 43 ILE MD 0.000 . 7.500 3.296 2.052 3.912 . 0 0 "[ . 1]" 1
240 1 36 PHE QB 1 48 THR MG 0.000 . 5.800 4.242 4.071 4.378 . 0 0 "[ . 1]" 1
241 1 36 PHE QD 1 37 TRP H 0.000 . 6.000 3.748 3.270 3.962 . 0 0 "[ . 1]" 1
242 1 36 PHE QD 1 37 TRP HA 0.000 . 4.300 4.115 3.625 4.279 . 0 0 "[ . 1]" 1
243 1 36 PHE QD 1 37 TRP HD1 0.000 . 5.300 3.962 3.546 4.523 . 0 0 "[ . 1]" 1
244 1 36 PHE QD 1 37 TRP HE1 0.000 . 6.000 2.816 2.413 3.361 . 0 0 "[ . 1]" 1
245 1 36 PHE QD 1 41 TYR QD 0.000 . 5.300 3.372 2.415 3.800 . 0 0 "[ . 1]" 1
246 1 36 PHE QD 1 41 TYR QE 0.000 . 7.000 4.679 3.844 5.082 . 0 0 "[ . 1]" 1
247 1 36 PHE QD 1 43 ILE H 0.000 . 6.000 3.422 3.014 4.405 . 0 0 "[ . 1]" 1
248 1 36 PHE QD 1 43 ILE HA 0.000 . 6.000 5.333 4.734 5.555 . 0 0 "[ . 1]" 1
249 1 36 PHE QD 1 43 ILE HB 0.000 . 6.000 4.956 4.700 5.123 . 0 0 "[ . 1]" 1
250 1 36 PHE QD 1 43 ILE MD 0.000 . 7.500 2.821 2.237 3.270 . 0 0 "[ . 1]" 1
251 1 36 PHE QD 1 48 THR MG 0.000 . 7.500 3.836 3.500 4.738 . 0 0 "[ . 1]" 1
252 1 36 PHE QD 1 52 ILE MD 0.000 . 7.500 4.387 4.011 4.675 . 0 0 "[ . 1]" 1
253 1 36 PHE QD 1 112 LEU QD 0.000 . 9.000 4.709 4.295 5.212 . 0 0 "[ . 1]" 1
254 1 36 PHE QE 1 42 GLU HA 0.000 . 4.300 2.992 2.369 3.652 . 0 0 "[ . 1]" 1
255 1 36 PHE QE 1 43 ILE H 0.000 . 6.000 3.811 3.085 4.232 . 0 0 "[ . 1]" 1
256 1 36 PHE QE 1 43 ILE MD 0.000 . 7.500 2.601 2.375 3.037 . 0 0 "[ . 1]" 1
257 1 36 PHE QE 1 43 ILE QG 0.000 . 7.000 3.511 3.096 4.455 . 0 0 "[ . 1]" 1
258 1 36 PHE QE 1 48 THR MG 0.000 . 7.500 4.403 4.069 5.477 . 0 0 "[ . 1]" 1
259 1 36 PHE QE 1 52 ILE MD 0.000 . 7.500 3.213 2.821 3.713 . 0 0 "[ . 1]" 1
260 1 36 PHE QE 1 112 LEU QD 0.000 . 7.300 3.855 3.133 4.589 . 0 0 "[ . 1]" 1
261 1 36 PHE QE 1 115 ALA MB 0.000 . 5.800 2.500 2.112 2.791 . 0 0 "[ . 1]" 1
262 1 36 PHE QE 1 116 MET H 0.000 . 6.000 4.418 4.204 4.594 . 0 0 "[ . 1]" 1
263 1 36 PHE QE 1 116 MET HA 0.000 . 6.000 3.019 2.407 3.437 . 0 0 "[ . 1]" 1
264 1 36 PHE QE 1 119 LYS QE 0.000 . 7.000 4.343 2.466 5.354 . 0 0 "[ . 1]" 1
265 1 36 PHE HZ 1 43 ILE MD 0.000 . 6.500 3.131 2.609 3.804 . 0 0 "[ . 1]" 1
266 1 36 PHE HZ 1 112 LEU QD 0.000 . 8.000 4.371 3.304 4.885 . 0 0 "[ . 1]" 1
267 1 36 PHE HZ 1 115 ALA H 0.000 . 5.000 5.127 5.056 5.194 0.194 10 0 "[ . 1]" 1
268 1 36 PHE HZ 1 115 ALA MB 0.000 . 4.800 2.431 2.231 2.709 . 0 0 "[ . 1]" 1
269 1 36 PHE HZ 1 116 MET H 0.000 . 3.500 3.289 3.001 3.538 0.038 4 0 "[ . 1]" 1
270 1 36 PHE HZ 1 116 MET HA 0.000 . 2.900 2.731 2.284 2.989 0.089 10 0 "[ . 1]" 1
271 1 36 PHE HZ 1 116 MET QB 0.000 . 6.000 3.698 3.047 4.574 . 0 0 "[ . 1]" 1
272 1 37 TRP H 1 38 LYS H 0.000 . 3.500 3.038 2.597 3.451 . 0 0 "[ . 1]" 1
273 1 37 TRP H 1 38 LYS QB 0.000 . 6.000 4.081 3.914 4.358 . 0 0 "[ . 1]" 1
274 1 37 TRP HA 1 38 LYS H 0.000 . 5.000 2.960 2.686 3.394 . 0 0 "[ . 1]" 1
275 1 37 TRP HA 1 119 LYS QE 0.000 . 6.000 3.335 2.310 4.658 . 0 0 "[ . 1]" 1
276 1 37 TRP QB 1 38 LYS H 0.000 . 4.500 3.711 3.178 3.931 . 0 0 "[ . 1]" 1
277 1 37 TRP QB 1 131 MET ME 0.000 . 5.800 2.065 1.815 2.439 . 0 0 "[ . 1]" 1
278 1 37 TRP HD1 1 135 VAL QG 0.000 . 8.000 4.489 3.800 5.312 . 0 0 "[ . 1]" 1
279 1 37 TRP HE1 1 43 ILE MD 0.000 . 6.500 5.175 4.772 5.390 . 0 0 "[ . 1]" 1
280 1 37 TRP HE1 1 52 ILE MD 0.000 . 6.500 4.720 4.515 5.009 . 0 0 "[ . 1]" 1
281 1 37 TRP HE1 1 131 MET ME 0.000 . 6.500 5.326 5.177 5.476 . 0 0 "[ . 1]" 1
282 1 37 TRP HE1 1 135 VAL QG 0.000 . 8.000 4.550 4.028 5.333 . 0 0 "[ . 1]" 1
283 1 37 TRP HE3 1 134 VAL QG 0.000 . 5.900 2.424 2.111 3.190 . 0 0 "[ . 1]" 1
284 1 37 TRP HE3 1 135 VAL QG 0.000 . 8.000 3.289 2.640 3.944 . 0 0 "[ . 1]" 1
285 1 37 TRP HH2 1 52 ILE MD 0.000 . 4.800 2.098 1.940 2.382 . 0 0 "[ . 1]" 1
286 1 37 TRP HH2 1 115 ALA MB 0.000 . 6.500 2.427 2.041 2.965 . 0 0 "[ . 1]" 1
287 1 37 TRP HH2 1 135 VAL HA 0.000 . 5.000 4.597 3.603 5.031 0.031 9 0 "[ . 1]" 1
288 1 37 TRP HH2 1 138 VAL HB 0.000 . 5.000 3.937 3.394 4.179 . 0 0 "[ . 1]" 1
289 1 37 TRP HH2 1 138 VAL QG 0.000 . 6.300 2.573 2.284 2.805 . 0 0 "[ . 1]" 1
290 1 37 TRP HZ2 1 52 ILE MD 0.000 . 7.500 2.192 2.023 2.366 . 0 0 "[ . 1]" 1
291 1 37 TRP HZ2 1 115 ALA MB 0.000 . 7.500 2.836 2.139 3.256 . 0 0 "[ . 1]" 1
292 1 37 TRP HZ2 1 135 VAL HA 0.000 . 6.000 3.725 2.704 4.400 . 0 0 "[ . 1]" 1
293 1 37 TRP HZ2 1 135 VAL QG 0.000 . 7.300 3.649 2.975 4.155 . 0 0 "[ . 1]" 1
294 1 37 TRP HZ2 1 138 VAL QG 0.000 . 7.300 2.841 2.578 3.551 . 0 0 "[ . 1]" 1
295 1 37 TRP HZ2 1 52 ILE H 0.000 . 6.000 5.439 5.154 5.646 . 0 0 "[ . 1]" 1
296 1 37 TRP HZ2 1 52 ILE HA 0.000 . 5.000 4.863 4.414 5.080 0.080 9 0 "[ . 1]" 1
297 1 37 TRP HZ3 1 134 VAL QG 0.000 . 6.300 2.634 2.122 3.300 . 0 0 "[ . 1]" 1
298 1 37 TRP HZ3 1 138 VAL HB 0.000 . 5.000 4.317 3.517 5.061 0.061 6 0 "[ . 1]" 1
299 1 38 LYS H 1 39 GLU H 0.000 . 3.500 2.588 1.796 3.418 . 0 0 "[ . 1]" 1
300 1 38 LYS H 1 40 ASP H 0.000 . 5.000 4.983 4.798 5.093 0.093 9 0 "[ . 1]" 1
301 1 38 LYS HA 1 39 GLU H 0.000 . 3.500 3.526 3.389 3.562 0.062 9 0 "[ . 1]" 1
302 1 38 LYS HA 1 131 MET ME 0.000 . 4.800 3.789 3.656 4.000 . 0 0 "[ . 1]" 1
303 1 38 LYS QB 1 39 GLU QG 0.000 . 7.000 3.294 2.306 5.371 . 0 0 "[ . 1]" 1
304 1 38 LYS QE 1 131 MET ME 0.000 . 7.500 4.365 2.940 5.350 . 0 0 "[ . 1]" 1
305 1 38 LYS QG 1 39 GLU QG 0.000 . 7.000 3.883 2.537 5.508 . 0 0 "[ . 1]" 1
306 1 39 GLU H 1 40 ASP H 0.000 . 3.500 3.525 3.297 3.632 0.132 9 0 "[ . 1]" 1
307 1 39 GLU QB 1 40 ASP H 0.000 . 4.500 1.699 1.531 1.885 . 0 0 "[ . 1]" 1
308 1 39 GLU QB 1 40 ASP HA 0.000 . 6.000 4.165 4.037 4.323 . 0 0 "[ . 1]" 1
309 1 39 GLU QB 1 41 TYR H 0.000 . 4.500 2.820 2.286 3.767 . 0 0 "[ . 1]" 1
310 1 39 GLU QG 1 40 ASP H 0.000 . 6.000 2.601 1.656 3.639 . 0 0 "[ . 1]" 1
311 1 39 GLU QG 1 41 TYR H 0.000 . 6.000 3.392 1.768 4.702 . 0 0 "[ . 1]" 1
312 1 40 ASP H 1 41 TYR H 0.000 . 3.500 1.790 1.440 2.078 . 0 0 "[ . 1]" 1
313 1 40 ASP HA 1 41 TYR H 0.000 . 2.900 3.001 2.908 3.060 0.160 7 0 "[ . 1]" 1
314 1 40 ASP HA 1 119 LYS QE 0.000 . 6.000 3.398 2.131 5.072 . 0 0 "[ . 1]" 1
315 1 40 ASP QB 1 41 TYR H 0.000 . 4.500 3.683 3.514 4.005 . 0 0 "[ . 1]" 1
316 1 40 ASP QB 1 119 LYS QD 0.000 . 7.000 4.907 4.261 5.576 . 0 0 "[ . 1]" 1
317 1 41 TYR H 1 42 GLU H 0.000 . 5.000 4.609 4.548 4.648 . 0 0 "[ . 1]" 1
318 1 41 TYR HA 1 42 GLU H 0.000 . 2.900 2.475 2.184 2.577 . 0 0 "[ . 1]" 1
319 1 41 TYR QB 1 42 GLU H 0.000 . 4.500 3.243 3.103 3.608 . 0 0 "[ . 1]" 1
320 1 41 TYR QD 1 42 GLU H 0.000 . 6.000 2.112 1.842 2.577 . 0 0 "[ . 1]" 1
321 1 41 TYR QD 1 42 GLU HA 0.000 . 4.300 4.083 3.157 4.328 0.028 8 0 "[ . 1]" 1
322 1 41 TYR QD 1 43 ILE H 0.000 . 6.000 3.919 3.210 4.639 . 0 0 "[ . 1]" 1
323 1 41 TYR QE 1 43 ILE HA 0.000 . 3.900 2.608 2.176 3.277 . 0 0 "[ . 1]" 1
324 1 41 TYR QE 1 43 ILE HB 0.000 . 6.000 4.343 3.396 5.104 . 0 0 "[ . 1]" 1
325 1 42 GLU H 1 43 ILE H 0.000 . 5.000 3.969 3.399 4.417 . 0 0 "[ . 1]" 1
326 1 42 GLU HA 1 43 ILE H 0.000 . 2.900 2.180 2.099 2.342 . 0 0 "[ . 1]" 1
327 1 42 GLU HA 1 116 MET ME 0.000 . 4.800 3.630 2.624 4.039 . 0 0 "[ . 1]" 1
328 1 42 GLU QB 1 43 ILE H 0.000 . 4.500 3.583 3.209 4.035 . 0 0 "[ . 1]" 1
329 1 42 GLU QG 1 43 ILE H 0.000 . 6.000 4.098 3.145 4.494 . 0 0 "[ . 1]" 1
330 1 42 GLU QG 1 44 THR MG 0.000 . 7.500 4.321 2.847 5.272 . 0 0 "[ . 1]" 1
331 1 43 ILE H 1 44 THR H 0.000 . 5.000 4.158 2.300 4.662 . 0 0 "[ . 1]" 1
332 1 43 ILE HA 1 44 THR H 0.000 . 2.900 2.477 2.143 3.399 0.499 5 0 "[ . 1]" 1
333 1 43 ILE HB 1 44 THR H 0.000 . 3.500 3.255 2.770 3.705 0.205 7 0 "[ . 1]" 1
334 1 43 ILE MD 1 116 MET ME 0.000 . 6.300 3.688 2.523 4.164 . 0 0 "[ . 1]" 1
335 1 44 THR H 1 45 ASN H 0.000 . 5.000 2.696 1.660 3.354 . 0 0 "[ . 1]" 1
336 1 44 THR HA 1 45 ASN H 0.000 . 2.900 2.745 2.509 3.076 0.176 7 0 "[ . 1]" 1
337 1 44 THR HA 1 112 LEU QD 0.000 . 6.300 3.136 2.205 4.622 . 0 0 "[ . 1]" 1
338 1 44 THR HB 1 45 ASN H 0.000 . 5.000 4.481 4.249 4.689 . 0 0 "[ . 1]" 1
339 1 44 THR MG 1 45 ASN H 0.000 . 5.000 3.871 3.265 4.135 . 0 0 "[ . 1]" 1
340 1 45 ASN H 1 46 ARG H 0.000 . 5.000 4.229 4.002 4.510 . 0 0 "[ . 1]" 1
341 1 45 ASN H 1 48 THR MG 0.000 . 5.000 4.027 3.632 4.226 . 0 0 "[ . 1]" 1
342 1 45 ASN HA 1 46 ARG H 0.000 . 2.900 2.206 2.127 2.439 . 0 0 "[ . 1]" 1
343 1 45 ASN QB 1 46 ARG H 0.000 . 4.500 3.348 2.306 3.893 . 0 0 "[ . 1]" 1
344 1 45 ASN QB 1 48 THR H 0.000 . 4.500 2.549 2.019 3.266 . 0 0 "[ . 1]" 1
345 1 45 ASN QD 1 46 ARG H 0.000 . 6.000 4.578 2.721 5.368 . 0 0 "[ . 1]" 1
346 1 45 ASN QD 1 48 THR H 0.000 . 6.000 4.430 3.510 5.179 . 0 0 "[ . 1]" 1
347 1 46 ARG H 1 47 LEU H 0.000 . 3.500 2.846 2.531 3.104 . 0 0 "[ . 1]" 1
348 1 46 ARG H 1 48 THR H 0.000 . 5.000 4.657 3.872 5.079 0.079 7 0 "[ . 1]" 1
349 1 46 ARG H 1 112 LEU QD 0.000 . 6.500 4.379 3.859 4.796 . 0 0 "[ . 1]" 1
350 1 46 ARG HA 1 47 LEU H 0.000 . 5.000 3.505 3.373 3.571 . 0 0 "[ . 1]" 1
351 1 46 ARG HA 1 109 MET HA 0.000 . 5.000 4.565 4.056 4.954 . 0 0 "[ . 1]" 1
352 1 46 ARG HA 1 109 MET ME 0.000 . 4.800 3.176 2.491 3.842 . 0 0 "[ . 1]" 1
353 1 46 ARG HA 1 112 LEU QD 0.000 . 6.300 3.122 2.466 3.972 . 0 0 "[ . 1]" 1
354 1 46 ARG QB 1 47 LEU H 0.000 . 4.500 2.871 2.123 3.613 . 0 0 "[ . 1]" 1
355 1 46 ARG QB 1 108 CYS QB 0.000 . 5.300 3.711 3.097 4.272 . 0 0 "[ . 1]" 1
356 1 46 ARG QB 1 109 MET ME 0.000 . 5.800 3.404 2.783 4.063 . 0 0 "[ . 1]" 1
357 1 47 LEU H 1 48 THR H 0.000 . 3.500 2.881 2.658 3.199 . 0 0 "[ . 1]" 1
358 1 47 LEU HA 1 48 THR H 0.000 . 5.000 3.555 3.537 3.575 . 0 0 "[ . 1]" 1
359 1 47 LEU HA 1 49 GLY H 0.000 . 3.500 3.671 3.577 3.768 0.268 7 0 "[ . 1]" 1
360 1 47 LEU HA 1 50 CYS H 0.000 . 3.500 3.190 2.942 3.482 . 0 0 "[ . 1]" 1
361 1 47 LEU HA 1 50 CYS QB 0.000 . 3.900 2.771 2.273 3.089 . 0 0 "[ . 1]" 1
362 1 47 LEU HA 1 51 ALA H 0.000 . 5.000 4.068 3.819 4.404 . 0 0 "[ . 1]" 1
363 1 47 LEU QB 1 48 THR H 0.000 . 4.500 2.225 1.982 2.451 . 0 0 "[ . 1]" 1
364 1 47 LEU QD 1 50 CYS QB 0.000 . 7.300 3.405 2.628 3.966 . 0 0 "[ . 1]" 1
365 1 48 THR H 1 49 GLY H 0.000 . 3.500 2.757 2.670 2.852 . 0 0 "[ . 1]" 1
366 1 48 THR H 1 112 LEU QD 0.000 . 6.500 4.245 3.749 4.755 . 0 0 "[ . 1]" 1
367 1 48 THR HA 1 51 ALA MB 0.000 . 4.400 2.416 2.251 2.598 . 0 0 "[ . 1]" 1
368 1 48 THR HA 1 52 ILE H 0.000 . 5.000 4.363 3.800 4.615 . 0 0 "[ . 1]" 1
369 1 48 THR HB 1 49 GLY H 0.000 . 3.500 3.051 2.779 3.723 0.223 7 0 "[ . 1]" 1
370 1 49 GLY H 1 50 CYS H 0.000 . 3.500 2.618 2.436 2.767 . 0 0 "[ . 1]" 1
371 1 49 GLY H 1 51 ALA H 0.000 . 5.000 3.683 3.407 4.137 . 0 0 "[ . 1]" 1
372 1 49 GLY H 1 112 LEU QD 0.000 . 5.900 2.851 2.078 3.701 . 0 0 "[ . 1]" 1
373 1 49 GLY QA 1 50 CYS H 0.000 . 6.000 2.548 2.434 2.619 . 0 0 "[ . 1]" 1
374 1 49 GLY QA 1 52 ILE H 0.000 . 6.000 3.350 3.011 3.816 . 0 0 "[ . 1]" 1
375 1 49 GLY QA 1 52 ILE HB 0.000 . 3.900 3.143 2.816 3.326 . 0 0 "[ . 1]" 1
376 1 49 GLY QA 1 52 ILE MD 0.000 . 5.400 3.354 2.565 3.783 . 0 0 "[ . 1]" 1
377 1 49 GLY QA 1 108 CYS HA 0.000 . 6.000 3.124 2.548 3.668 . 0 0 "[ . 1]" 1
378 1 49 GLY QA 1 108 CYS QB 0.000 . 7.000 2.708 2.158 3.214 . 0 0 "[ . 1]" 1
379 1 49 GLY QA 1 111 VAL QG 0.000 . 7.300 3.425 2.290 4.338 . 0 0 "[ . 1]" 1
380 1 49 GLY QA 1 112 LEU QB 0.000 . 5.300 3.158 2.223 3.862 . 0 0 "[ . 1]" 1
381 1 49 GLY QA 1 112 LEU QD 0.000 . 7.300 2.304 1.899 3.055 . 0 0 "[ . 1]" 1
382 1 50 CYS H 1 51 ALA H 0.000 . 3.500 2.716 2.670 2.798 . 0 0 "[ . 1]" 1
383 1 50 CYS H 1 108 CYS HA 0.000 . 5.000 3.987 3.562 4.295 . 0 0 "[ . 1]" 1
384 1 50 CYS H 1 108 CYS QB 0.000 . 6.000 2.723 1.980 3.197 . 0 0 "[ . 1]" 1
385 1 50 CYS HA 1 51 ALA H 0.000 . 5.000 3.508 3.452 3.584 . 0 0 "[ . 1]" 1
386 1 50 CYS HA 1 53 LYS QB 0.000 . 3.900 2.658 2.248 3.082 . 0 0 "[ . 1]" 1
387 1 50 CYS HA 1 108 CYS H 0.000 . 5.000 4.924 4.732 5.041 0.041 4 0 "[ . 1]" 1
388 1 50 CYS HA 1 108 CYS HA 0.000 . 3.500 3.574 3.431 3.675 0.175 7 0 "[ . 1]" 1
389 1 50 CYS QB 1 51 ALA H 0.000 . 4.500 2.689 2.342 3.241 . 0 0 "[ . 1]" 1
390 1 51 ALA H 1 52 ILE H 0.000 . 3.500 2.885 2.668 3.175 . 0 0 "[ . 1]" 1
391 1 51 ALA HA 1 54 CYS H 0.000 . 5.000 3.347 3.164 3.596 . 0 0 "[ . 1]" 1
392 1 51 ALA HA 1 54 CYS QB 0.000 . 3.900 2.677 2.356 3.091 . 0 0 "[ . 1]" 1
393 1 51 ALA HA 1 55 LEU QD 0.000 . 8.000 4.843 3.615 5.793 . 0 0 "[ . 1]" 1
394 1 51 ALA MB 1 52 ILE H 0.000 . 5.000 2.177 2.004 2.309 . 0 0 "[ . 1]" 1
395 1 51 ALA MB 1 55 LEU QD 0.000 . 7.800 3.788 3.084 4.526 . 0 0 "[ . 1]" 1
396 1 52 ILE H 1 53 LYS H 0.000 . 3.500 2.852 2.776 2.922 . 0 0 "[ . 1]" 1
397 1 52 ILE HA 1 53 LYS H 0.000 . 5.000 3.539 3.522 3.558 . 0 0 "[ . 1]" 1
398 1 52 ILE HA 1 55 LEU QB 0.000 . 3.900 2.713 2.092 3.134 . 0 0 "[ . 1]" 1
399 1 52 ILE HA 1 55 LEU QD 0.000 . 6.300 2.774 2.405 3.367 . 0 0 "[ . 1]" 1
400 1 52 ILE HA 1 55 LEU HG 0.000 . 4.300 4.190 3.851 4.373 0.073 3 0 "[ . 1]" 1
401 1 52 ILE HA 1 138 VAL QG 0.000 . 6.300 4.285 4.106 4.541 . 0 0 "[ . 1]" 1
402 1 52 ILE HB 1 111 VAL QG 0.000 . 8.000 2.556 2.083 3.994 . 0 0 "[ . 1]" 1
403 1 52 ILE MD 1 111 VAL QG 0.000 . 7.800 2.223 1.871 2.905 . 0 0 "[ . 1]" 1
404 1 52 ILE MD 1 112 LEU HA 0.000 . 4.800 3.282 2.686 3.943 . 0 0 "[ . 1]" 1
405 1 52 ILE MD 1 115 ALA MB 0.000 . 6.300 2.511 2.166 2.903 . 0 0 "[ . 1]" 1
406 1 52 ILE MD 1 138 VAL HB 0.000 . 4.800 3.802 3.690 4.038 . 0 0 "[ . 1]" 1
407 1 52 ILE MD 1 138 VAL QG 0.000 . 7.800 2.255 2.018 3.066 . 0 0 "[ . 1]" 1
408 1 52 ILE QG 1 53 LYS H 0.000 . 7.500 2.971 1.867 3.211 . 0 0 "[ . 1]" 1
409 1 52 ILE QG 1 139 LEU QD 0.000 . 7.300 3.818 2.671 4.469 . 0 0 "[ . 1]" 1
410 1 52 ILE MG 1 53 LYS HA 0.000 . 6.500 3.175 2.793 3.424 . 0 0 "[ . 1]" 1
411 1 52 ILE MG 1 138 VAL QG 0.000 . 7.800 2.051 1.761 2.998 . 0 0 "[ . 1]" 1
412 1 52 ILE MG 1 139 LEU QD 0.000 . 7.800 2.534 2.114 3.193 . 0 0 "[ . 1]" 1
413 1 52 ILE MG 1 142 VAL QG 0.000 . 9.500 3.765 2.744 4.423 . 0 0 "[ . 1]" 1
414 1 53 LYS H 1 142 VAL QG 0.000 . 8.000 5.259 4.588 5.818 . 0 0 "[ . 1]" 1
415 1 53 LYS HA 1 56 SER H 0.000 . 5.000 3.442 3.217 3.733 . 0 0 "[ . 1]" 1
416 1 53 LYS HA 1 142 VAL QG 0.000 . 5.900 3.311 2.682 3.923 . 0 0 "[ . 1]" 1
417 1 53 LYS QB 1 54 CYS H 0.000 . 4.500 2.222 1.908 2.891 . 0 0 "[ . 1]" 1
418 1 53 LYS QB 1 142 VAL QG 0.000 . 7.300 4.229 3.695 4.659 . 0 0 "[ . 1]" 1
419 1 54 CYS H 1 55 LEU H 0.000 . 3.500 2.880 2.548 3.052 . 0 0 "[ . 1]" 1
420 1 54 CYS H 1 55 LEU QD 0.000 . 8.000 5.174 4.025 5.724 . 0 0 "[ . 1]" 1
421 1 54 CYS H 1 57 GLU QB 0.000 . 6.000 5.229 5.058 5.444 . 0 0 "[ . 1]" 1
422 1 54 CYS HA 1 55 LEU H 0.000 . 5.000 3.549 3.502 3.577 . 0 0 "[ . 1]" 1
423 1 54 CYS HA 1 57 GLU H 0.000 . 5.000 3.452 3.084 3.775 . 0 0 "[ . 1]" 1
424 1 54 CYS HA 1 57 GLU QB 0.000 . 3.900 2.937 2.580 3.399 . 0 0 "[ . 1]" 1
425 1 54 CYS QB 1 55 LEU H 0.000 . 6.000 2.357 2.126 2.670 . 0 0 "[ . 1]" 1
426 1 55 LEU H 1 56 SER H 0.000 . 3.500 2.822 2.614 2.982 . 0 0 "[ . 1]" 1
427 1 55 LEU H 1 57 GLU H 0.000 . 5.000 4.390 4.135 4.715 . 0 0 "[ . 1]" 1
428 1 55 LEU H 1 139 LEU QD 0.000 . 8.000 4.183 3.610 5.095 . 0 0 "[ . 1]" 1
429 1 55 LEU HA 1 56 SER H 0.000 . 5.000 3.542 3.464 3.579 . 0 0 "[ . 1]" 1
430 1 55 LEU HA 1 58 LYS H 0.000 . 5.000 3.255 2.931 3.533 . 0 0 "[ . 1]" 1
431 1 55 LEU HA 1 58 LYS QB 0.000 . 3.900 2.249 2.031 2.522 . 0 0 "[ . 1]" 1
432 1 55 LEU HA 1 59 LEU H 0.000 . 5.000 4.677 4.199 5.046 0.046 7 0 "[ . 1]" 1
433 1 55 LEU HA 1 62 VAL QG 0.000 . 8.000 4.095 3.611 4.847 . 0 0 "[ . 1]" 1
434 1 55 LEU QB 1 56 SER H 0.000 . 4.500 2.511 2.293 2.769 . 0 0 "[ . 1]" 1
435 1 55 LEU QB 1 139 LEU QD 0.000 . 7.300 2.160 1.785 3.338 . 0 0 "[ . 1]" 1
436 1 55 LEU QD 1 62 VAL QG 0.000 . 11.000 2.611 2.181 3.096 . 0 0 "[ . 1]" 1
437 1 55 LEU HG 1 135 VAL QG 0.000 . 8.000 4.895 3.672 5.630 . 0 0 "[ . 1]" 1
438 1 56 SER H 1 57 GLU H 0.000 . 3.500 2.846 2.545 3.077 . 0 0 "[ . 1]" 1
439 1 56 SER H 1 59 LEU QD 0.000 . 8.000 5.001 4.475 5.508 . 0 0 "[ . 1]" 1
440 1 56 SER H 1 139 LEU QD 0.000 . 5.000 2.897 2.111 3.776 . 0 0 "[ . 1]" 1
441 1 56 SER H 1 139 LEU HG 0.000 . 5.000 4.021 2.654 5.067 0.067 8 0 "[ . 1]" 1
442 1 56 SER HA 1 57 GLU H 0.000 . 5.000 3.549 3.522 3.576 . 0 0 "[ . 1]" 1
443 1 56 SER HA 1 59 LEU QD 0.000 . 6.300 3.004 2.191 3.798 . 0 0 "[ . 1]" 1
444 1 56 SER HA 1 139 LEU HA 0.000 . 5.000 3.581 2.696 4.079 . 0 0 "[ . 1]" 1
445 1 56 SER QB 1 57 GLU H 0.000 . 4.500 2.609 2.222 3.194 . 0 0 "[ . 1]" 1
446 1 57 GLU H 1 58 LYS H 0.000 . 3.500 2.543 2.371 2.709 . 0 0 "[ . 1]" 1
447 1 57 GLU H 1 59 LEU H 0.000 . 5.000 4.023 3.886 4.147 . 0 0 "[ . 1]" 1
448 1 57 GLU HA 1 58 LYS H 0.000 . 5.000 3.422 3.340 3.481 . 0 0 "[ . 1]" 1
449 1 57 GLU QB 1 58 LYS H 0.000 . 4.500 2.936 2.739 3.160 . 0 0 "[ . 1]" 1
450 1 57 GLU QG 1 58 LYS H 0.000 . 6.000 4.060 3.622 4.368 . 0 0 "[ . 1]" 1
451 1 58 LYS H 1 59 LEU H 0.000 . 3.500 2.367 2.315 2.472 . 0 0 "[ . 1]" 1
452 1 58 LYS H 1 59 LEU QB 0.000 . 6.000 4.363 4.190 4.540 . 0 0 "[ . 1]" 1
453 1 58 LYS HA 1 59 LEU H 0.000 . 5.000 3.347 3.334 3.359 . 0 0 "[ . 1]" 1
454 1 58 LYS HA 1 60 GLU H 0.000 . 5.000 3.349 3.099 3.455 . 0 0 "[ . 1]" 1
455 1 58 LYS HA 1 61 MET H 0.000 . 5.000 3.455 3.300 3.541 . 0 0 "[ . 1]" 1
456 1 58 LYS HA 1 61 MET QB 0.000 . 6.000 3.905 3.606 4.303 . 0 0 "[ . 1]" 1
457 1 58 LYS HA 1 61 MET ME 0.000 . 6.500 4.330 2.805 5.434 . 0 0 "[ . 1]" 1
458 1 58 LYS QB 1 59 LEU H 0.000 . 4.500 3.222 3.186 3.260 . 0 0 "[ . 1]" 1
459 1 59 LEU H 1 60 GLU H 0.000 . 3.500 3.026 2.860 3.115 . 0 0 "[ . 1]" 1
460 1 59 LEU H 1 139 LEU QD 0.000 . 8.000 4.040 3.107 4.538 . 0 0 "[ . 1]" 1
461 1 59 LEU HA 1 60 GLU H 0.000 . 5.000 3.507 3.434 3.539 . 0 0 "[ . 1]" 1
462 1 59 LEU HA 1 61 MET H 0.000 . 5.000 4.163 3.943 4.379 . 0 0 "[ . 1]" 1
463 1 59 LEU HA 1 62 VAL HB 0.000 . 2.900 2.380 2.192 2.879 . 0 0 "[ . 1]" 1
464 1 59 LEU HA 1 62 VAL QG 0.000 . 6.300 2.163 1.945 2.363 . 0 0 "[ . 1]" 1
465 1 59 LEU HA 1 68 LEU QD 0.000 . 8.000 3.793 3.123 4.654 . 0 0 "[ . 1]" 1
466 1 59 LEU QB 1 60 GLU H 0.000 . 4.500 3.039 2.628 3.617 . 0 0 "[ . 1]" 1
467 1 59 LEU QB 1 69 HIS HA 0.000 . 4.300 3.605 3.214 3.813 . 0 0 "[ . 1]" 1
468 1 59 LEU QD 1 68 LEU QD 0.000 . 9.300 2.715 1.954 3.830 . 0 0 "[ . 1]" 1
469 1 59 LEU QD 1 68 LEU HG 0.000 . 6.300 2.636 1.920 3.916 . 0 0 "[ . 1]" 1
470 1 59 LEU QD 1 69 HIS H 0.000 . 8.000 3.927 3.192 4.514 . 0 0 "[ . 1]" 1
471 1 59 LEU QD 1 69 HIS HA 0.000 . 5.900 2.155 1.938 2.257 . 0 0 "[ . 1]" 1
472 1 59 LEU QD 1 70 HIS H 0.000 . 6.500 2.478 1.990 3.513 . 0 0 "[ . 1]" 1
473 1 59 LEU QD 1 70 HIS HA 0.000 . 6.300 3.606 2.736 4.366 . 0 0 "[ . 1]" 1
474 1 59 LEU QD 1 70 HIS HD2 0.000 . 6.300 3.526 2.645 4.635 . 0 0 "[ . 1]" 1
475 1 59 LEU QD 1 139 LEU HA 0.000 . 8.000 4.550 3.916 5.394 . 0 0 "[ . 1]" 1
476 1 59 LEU QD 1 140 ALA H 0.000 . 8.000 4.280 3.074 5.333 . 0 0 "[ . 1]" 1
477 1 59 LEU QD 1 140 ALA HA 0.000 . 6.300 3.420 2.182 4.117 . 0 0 "[ . 1]" 1
478 1 59 LEU QD 1 140 ALA MB 0.000 . 9.500 3.927 2.533 4.866 . 0 0 "[ . 1]" 1
479 1 59 LEU HG 1 69 HIS HA 0.000 . 5.000 4.336 2.883 5.100 0.100 5 0 "[ . 1]" 1
480 1 60 GLU H 1 61 MET H 0.000 . 3.500 2.669 2.541 2.759 . 0 0 "[ . 1]" 1
481 1 60 GLU QB 1 61 MET H 0.000 . 4.500 2.664 2.409 3.510 . 0 0 "[ . 1]" 1
482 1 61 MET H 1 62 VAL H 0.000 . 3.500 2.353 2.253 2.580 . 0 0 "[ . 1]" 1
483 1 61 MET H 1 62 VAL QG 0.000 . 8.000 3.578 3.410 3.898 . 0 0 "[ . 1]" 1
484 1 61 MET HA 1 62 VAL H 0.000 . 5.000 3.493 3.382 3.528 . 0 0 "[ . 1]" 1
485 1 62 VAL H 1 63 ASP H 0.000 . 3.500 3.262 2.772 3.467 . 0 0 "[ . 1]" 1
486 1 62 VAL HA 1 63 ASP H 0.000 . 5.000 3.513 3.468 3.563 . 0 0 "[ . 1]" 1
487 1 62 VAL HB 1 63 ASP H 0.000 . 3.500 1.941 1.673 2.958 . 0 0 "[ . 1]" 1
488 1 62 VAL HB 1 68 LEU QD 0.000 . 6.300 3.164 2.561 4.079 . 0 0 "[ . 1]" 1
489 1 62 VAL HB 1 68 LEU HG 0.000 . 5.000 4.869 4.521 5.049 0.049 5 0 "[ . 1]" 1
490 1 62 VAL QG 1 63 ASP H 0.000 . 8.000 2.445 2.156 3.189 . 0 0 "[ . 1]" 1
491 1 62 VAL QG 1 68 LEU QD 0.000 . 9.300 2.263 1.922 3.009 . 0 0 "[ . 1]" 1
492 1 62 VAL QG 1 76 PHE HZ 0.000 . 8.000 4.157 3.318 4.757 . 0 0 "[ . 1]" 1
493 1 62 VAL QG 1 136 GLY QA 0.000 . 9.000 3.842 3.487 4.588 . 0 0 "[ . 1]" 1
494 1 62 VAL QG 1 139 LEU QD 0.000 . 9.300 2.510 2.005 3.002 . 0 0 "[ . 1]" 1
495 1 63 ASP H 1 64 ALA H 0.000 . 5.000 4.031 3.384 4.636 . 0 0 "[ . 1]" 1
496 1 63 ASP HA 1 64 ALA H 0.000 . 2.900 2.226 2.143 2.357 . 0 0 "[ . 1]" 1
497 1 63 ASP HA 1 65 ASP H 0.000 . 5.000 3.875 3.143 5.033 0.033 8 0 "[ . 1]" 1
498 1 63 ASP QB 1 64 ALA H 0.000 . 6.000 3.760 2.943 4.026 . 0 0 "[ . 1]" 1
499 1 63 ASP QB 1 66 GLY H 0.000 . 6.000 4.067 2.772 5.206 . 0 0 "[ . 1]" 1
500 1 63 ASP QB 1 68 LEU H 0.000 . 6.000 3.256 2.815 3.728 . 0 0 "[ . 1]" 1
501 1 63 ASP QB 1 68 LEU QB 0.000 . 5.300 2.374 2.032 3.327 . 0 0 "[ . 1]" 1
502 1 63 ASP QB 1 68 LEU QD 0.000 . 9.000 2.900 2.120 4.013 . 0 0 "[ . 1]" 1
503 1 63 ASP QB 1 76 PHE QD 0.000 . 5.300 3.621 3.274 4.006 . 0 0 "[ . 1]" 1
504 1 63 ASP QB 1 76 PHE QE 0.000 . 5.300 3.399 2.207 3.839 . 0 0 "[ . 1]" 1
505 1 64 ALA H 1 65 ASP H 0.000 . 3.500 2.862 2.450 3.343 . 0 0 "[ . 1]" 1
506 1 64 ALA HA 1 65 ASP H 0.000 . 3.500 3.269 2.403 3.557 0.057 9 0 "[ . 1]" 1
507 1 64 ALA HA 1 66 GLY H 0.000 . 5.000 3.797 2.797 5.114 0.114 5 0 "[ . 1]" 1
508 1 64 ALA MB 1 65 ASP H 0.000 . 5.000 2.843 1.928 3.687 . 0 0 "[ . 1]" 1
509 1 64 ALA MB 1 66 GLY H 0.000 . 6.500 4.255 3.589 5.232 . 0 0 "[ . 1]" 1
510 1 65 ASP H 1 66 GLY H 0.000 . 3.500 2.762 1.536 3.253 . 0 0 "[ . 1]" 1
511 1 65 ASP HA 1 66 GLY H 0.000 . 3.500 3.411 3.163 3.563 0.063 6 0 "[ . 1]" 1
512 1 65 ASP QB 1 66 GLY H 0.000 . 6.000 2.845 1.865 3.564 . 0 0 "[ . 1]" 1
513 1 65 ASP QB 1 67 LYS QG 0.000 . 5.300 2.940 2.356 4.187 . 0 0 "[ . 1]" 1
514 1 66 GLY H 1 67 LYS H 0.000 . 3.500 2.664 1.709 3.818 0.318 5 0 "[ . 1]" 1
515 1 66 GLY H 1 68 LEU H 0.000 . 5.000 4.247 3.832 4.998 . 0 0 "[ . 1]" 1
516 1 66 GLY QA 1 67 LYS H 0.000 . 4.500 2.552 2.080 2.914 . 0 0 "[ . 1]" 1
517 1 67 LYS H 1 68 LEU H 0.000 . 3.500 2.505 1.632 3.637 0.137 5 0 "[ . 1]" 1
518 1 67 LYS H 1 72 ASN QD 0.000 . 6.000 5.016 4.265 5.406 . 0 0 "[ . 1]" 1
519 1 67 LYS HA 1 68 LEU H 0.000 . 5.000 3.492 3.290 3.582 . 0 0 "[ . 1]" 1
520 1 67 LYS HA 1 69 HIS HD2 0.000 . 4.300 3.848 3.393 4.296 . 0 0 "[ . 1]" 1
521 1 67 LYS QB 1 68 LEU H 0.000 . 4.500 2.391 1.790 3.264 . 0 0 "[ . 1]" 1
522 1 67 LYS QB 1 75 GLU QG 0.000 . 6.000 3.716 2.945 4.478 . 0 0 "[ . 1]" 1
523 1 67 LYS QB 1 76 PHE H 0.000 . 6.000 3.359 2.809 3.840 . 0 0 "[ . 1]" 1
524 1 67 LYS QB 1 76 PHE HA 0.000 . 3.900 3.163 2.365 3.435 . 0 0 "[ . 1]" 1
525 1 67 LYS QB 1 76 PHE QB 0.000 . 5.300 2.683 2.237 3.292 . 0 0 "[ . 1]" 1
526 1 67 LYS QB 1 76 PHE QD 0.000 . 5.300 3.103 2.153 3.691 . 0 0 "[ . 1]" 1
527 1 67 LYS QE 1 75 GLU QG 0.000 . 6.000 4.053 2.938 4.780 . 0 0 "[ . 1]" 1
528 1 67 LYS QG 1 68 LEU H 0.000 . 6.000 3.946 3.648 4.473 . 0 0 "[ . 1]" 1
529 1 67 LYS QG 1 75 GLU QG 0.000 . 6.000 3.557 2.222 4.406 . 0 0 "[ . 1]" 1
530 1 68 LEU H 1 69 HIS H 0.000 . 5.000 4.199 3.588 4.445 . 0 0 "[ . 1]" 1
531 1 68 LEU H 1 76 PHE QB 0.000 . 6.000 3.422 2.545 4.309 . 0 0 "[ . 1]" 1
532 1 68 LEU H 1 76 PHE QD 0.000 . 6.000 4.014 2.851 5.261 . 0 0 "[ . 1]" 1
533 1 68 LEU HA 1 69 HIS H 0.000 . 2.900 2.187 2.134 2.304 . 0 0 "[ . 1]" 1
534 1 68 LEU HA 1 73 ALA HA 0.000 . 3.300 3.154 2.625 3.315 0.015 2 0 "[ . 1]" 1
535 1 68 LEU HA 1 76 PHE QB 0.000 . 3.900 2.754 2.403 3.197 . 0 0 "[ . 1]" 1
536 1 68 LEU HA 1 76 PHE QD 0.000 . 6.000 4.265 3.872 4.720 . 0 0 "[ . 1]" 1
537 1 68 LEU QB 1 69 HIS H 0.000 . 6.000 3.943 3.835 4.035 . 0 0 "[ . 1]" 1
538 1 68 LEU QB 1 76 PHE QD 0.000 . 5.300 2.844 2.259 3.210 . 0 0 "[ . 1]" 1
539 1 68 LEU QD 1 69 HIS H 0.000 . 6.500 2.801 2.223 3.690 . 0 0 "[ . 1]" 1
540 1 68 LEU QD 1 73 ALA H 0.000 . 8.000 4.720 4.157 5.282 . 0 0 "[ . 1]" 1
541 1 68 LEU QD 1 73 ALA HA 0.000 . 6.300 2.639 2.032 3.008 . 0 0 "[ . 1]" 1
542 1 68 LEU QD 1 76 PHE QB 0.000 . 9.000 2.417 1.966 2.776 . 0 0 "[ . 1]" 1
543 1 68 LEU QD 1 76 PHE QD 0.000 . 9.000 2.583 2.254 3.290 . 0 0 "[ . 1]" 1
544 1 68 LEU QD 1 76 PHE QE 0.000 . 9.000 2.983 2.636 3.521 . 0 0 "[ . 1]" 1
545 1 68 LEU QD 1 135 VAL H 0.000 . 8.000 5.853 5.727 5.916 . 0 0 "[ . 1]" 1
546 1 68 LEU QD 1 136 GLY QA 0.000 . 7.300 1.891 1.831 1.953 . 0 0 "[ . 1]" 1
547 1 68 LEU QD 1 139 LEU H 0.000 . 8.000 4.423 3.988 4.746 . 0 0 "[ . 1]" 1
548 1 68 LEU QD 1 139 LEU QB 0.000 . 9.000 2.879 2.461 3.265 . 0 0 "[ . 1]" 1
549 1 68 LEU QD 1 139 LEU QD 0.000 . 9.300 2.741 2.545 3.367 . 0 0 "[ . 1]" 1
550 1 68 LEU QD 1 140 ALA H 0.000 . 8.000 3.314 2.868 3.660 . 0 0 "[ . 1]" 1
551 1 68 LEU QD 1 140 ALA HA 0.000 . 8.000 3.923 3.297 4.633 . 0 0 "[ . 1]" 1
552 1 68 LEU QD 1 140 ALA MB 0.000 . 7.800 2.484 1.974 3.152 . 0 0 "[ . 1]" 1
553 1 68 LEU HG 1 69 HIS H 0.000 . 5.000 3.601 3.269 4.209 . 0 0 "[ . 1]" 1
554 1 68 LEU HG 1 140 ALA H 0.000 . 5.000 4.960 4.824 5.048 0.048 4 0 "[ . 1]" 1
555 1 69 HIS H 1 71 GLY H 0.000 . 5.000 4.933 4.552 5.049 0.049 2 0 "[ . 1]" 1
556 1 69 HIS H 1 72 ASN H 0.000 . 5.000 3.422 3.133 3.608 . 0 0 "[ . 1]" 1
557 1 69 HIS H 1 72 ASN QB 0.000 . 6.000 2.798 2.260 3.388 . 0 0 "[ . 1]" 1
558 1 69 HIS H 1 73 ALA HA 0.000 . 5.000 3.947 3.275 4.455 . 0 0 "[ . 1]" 1
559 1 69 HIS HA 1 70 HIS H 0.000 . 2.900 2.301 2.187 2.363 . 0 0 "[ . 1]" 1
560 1 69 HIS HA 1 72 ASN H 0.000 . 5.000 4.870 4.677 4.965 . 0 0 "[ . 1]" 1
561 1 69 HIS HA 1 72 ASN QB 0.000 . 6.000 4.660 4.218 4.959 . 0 0 "[ . 1]" 1
562 1 69 HIS QB 1 70 HIS H 0.000 . 4.500 2.743 2.567 2.938 . 0 0 "[ . 1]" 1
563 1 69 HIS QB 1 72 ASN H 0.000 . 6.000 4.076 3.543 4.909 . 0 0 "[ . 1]" 1
564 1 69 HIS QB 1 72 ASN QB 0.000 . 5.300 2.838 2.119 3.963 . 0 0 "[ . 1]" 1
565 1 69 HIS QB 1 72 ASN QD 0.000 . 7.000 3.609 2.012 5.279 . 0 0 "[ . 1]" 1
566 1 70 HIS H 1 71 GLY H 0.000 . 5.000 4.346 4.177 4.397 . 0 0 "[ . 1]" 1
567 1 70 HIS HA 1 71 GLY H 0.000 . 2.900 2.156 2.133 2.213 . 0 0 "[ . 1]" 1
568 1 70 HIS HA 1 72 ASN H 0.000 . 3.500 3.588 3.536 3.648 0.148 10 0 "[ . 1]" 1
569 1 70 HIS HA 1 140 ALA H 0.000 . 5.000 4.976 4.917 5.007 0.007 10 0 "[ . 1]" 1
570 1 70 HIS HA 1 140 ALA HA 0.000 . 3.300 2.215 2.162 2.303 . 0 0 "[ . 1]" 1
571 1 70 HIS HA 1 140 ALA MB 0.000 . 4.800 3.143 2.800 3.630 . 0 0 "[ . 1]" 1
572 1 70 HIS QB 1 71 GLY H 0.000 . 6.000 3.604 3.541 3.749 . 0 0 "[ . 1]" 1
573 1 71 GLY H 1 72 ASN H 0.000 . 3.500 2.164 1.881 2.289 . 0 0 "[ . 1]" 1
574 1 71 GLY H 1 140 ALA MB 0.000 . 5.000 2.436 2.126 2.998 . 0 0 "[ . 1]" 1
575 1 71 GLY QA 1 72 ASN H 0.000 . 4.500 2.917 2.879 2.931 . 0 0 "[ . 1]" 1
576 1 71 GLY QA 1 140 ALA MB 0.000 . 7.500 3.849 3.453 4.428 . 0 0 "[ . 1]" 1
577 1 72 ASN H 1 73 ALA H 0.000 . 5.000 3.782 3.724 3.906 . 0 0 "[ . 1]" 1
578 1 72 ASN H 1 140 ALA MB 0.000 . 5.000 2.852 2.112 3.498 . 0 0 "[ . 1]" 1
579 1 72 ASN HA 1 73 ALA H 0.000 . 2.900 2.146 2.110 2.172 . 0 0 "[ . 1]" 1
580 1 72 ASN HA 1 74 ARG H 0.000 . 5.000 3.208 3.016 3.513 . 0 0 "[ . 1]" 1
581 1 72 ASN HA 1 74 ARG QB 0.000 . 4.300 3.929 3.623 4.113 . 0 0 "[ . 1]" 1
582 1 72 ASN QB 1 73 ALA H 0.000 . 4.500 3.927 3.676 3.985 . 0 0 "[ . 1]" 1
583 1 72 ASN QD 1 75 GLU QB 0.000 . 7.000 3.019 1.947 4.461 . 0 0 "[ . 1]" 1
584 1 73 ALA H 1 74 ARG H 0.000 . 3.500 1.700 1.552 1.837 . 0 0 "[ . 1]" 1
585 1 73 ALA H 1 75 GLU H 0.000 . 5.000 4.421 3.981 4.923 . 0 0 "[ . 1]" 1
586 1 73 ALA H 1 140 ALA MB 0.000 . 5.000 3.999 3.396 4.230 . 0 0 "[ . 1]" 1
587 1 73 ALA HA 1 74 ARG H 0.000 . 5.000 3.356 3.237 3.471 . 0 0 "[ . 1]" 1
588 1 73 ALA HA 1 140 ALA MB 0.000 . 6.500 3.712 3.182 4.121 . 0 0 "[ . 1]" 1
589 1 73 ALA MB 1 74 ARG H 0.000 . 5.000 2.906 2.549 3.192 . 0 0 "[ . 1]" 1
590 1 73 ALA MB 1 74 ARG HA 0.000 . 6.500 3.870 3.686 3.990 . 0 0 "[ . 1]" 1
591 1 73 ALA MB 1 91 VAL QG 0.000 . 7.800 3.140 2.640 3.615 . 0 0 "[ . 1]" 1
592 1 73 ALA MB 1 137 GLU H 0.000 . 6.500 4.486 4.296 4.973 . 0 0 "[ . 1]" 1
593 1 73 ALA MB 1 137 GLU HA 0.000 . 4.400 2.921 2.539 3.286 . 0 0 "[ . 1]" 1
594 1 73 ALA MB 1 140 ALA MB 0.000 . 6.300 2.304 1.877 2.472 . 0 0 "[ . 1]" 1
595 1 74 ARG H 1 75 GLU H 0.000 . 3.500 3.177 2.752 3.521 0.021 10 0 "[ . 1]" 1
596 1 74 ARG H 1 87 ALA MB 0.000 . 5.000 4.072 4.017 4.167 . 0 0 "[ . 1]" 1
597 1 74 ARG HA 1 75 GLU H 0.000 . 5.000 3.557 3.500 3.578 . 0 0 "[ . 1]" 1
598 1 74 ARG HA 1 76 PHE H 0.000 . 5.000 4.665 4.189 5.014 0.014 4 0 "[ . 1]" 1
599 1 74 ARG HA 1 77 ALA MB 0.000 . 4.400 2.808 2.275 3.224 . 0 0 "[ . 1]" 1
600 1 74 ARG HA 1 87 ALA MB 0.000 . 4.400 2.219 2.077 2.508 . 0 0 "[ . 1]" 1
601 1 74 ARG QB 1 75 GLU H 0.000 . 4.500 2.127 1.774 3.078 . 0 0 "[ . 1]" 1
602 1 75 GLU H 1 76 PHE H 0.000 . 3.500 2.806 2.427 3.172 . 0 0 "[ . 1]" 1
603 1 75 GLU QB 1 76 PHE H 0.000 . 4.500 2.534 2.065 3.407 . 0 0 "[ . 1]" 1
604 1 76 PHE H 1 77 ALA H 0.000 . 3.500 2.568 2.278 2.830 . 0 0 "[ . 1]" 1
605 1 76 PHE HA 1 77 ALA H 0.000 . 5.000 3.481 3.421 3.567 . 0 0 "[ . 1]" 1
606 1 76 PHE HA 1 79 LYS QB 0.000 . 3.900 3.342 2.942 3.572 . 0 0 "[ . 1]" 1
607 1 76 PHE HA 1 80 HIS HD2 0.000 . 5.000 4.239 3.560 4.669 . 0 0 "[ . 1]" 1
608 1 76 PHE QB 1 77 ALA H 0.000 . 4.500 2.752 2.164 2.998 . 0 0 "[ . 1]" 1
609 1 76 PHE QD 1 77 ALA H 0.000 . 6.000 3.788 3.362 4.198 . 0 0 "[ . 1]" 1
610 1 76 PHE QD 1 77 ALA HA 0.000 . 6.000 3.629 3.234 4.115 . 0 0 "[ . 1]" 1
611 1 76 PHE QD 1 77 ALA MB 0.000 . 7.500 3.651 3.350 4.038 . 0 0 "[ . 1]" 1
612 1 76 PHE QD 1 80 HIS HD2 0.000 . 6.000 3.888 2.499 5.128 . 0 0 "[ . 1]" 1
613 1 76 PHE QD 1 133 VAL HA 0.000 . 4.300 2.904 2.556 3.604 . 0 0 "[ . 1]" 1
614 1 76 PHE QE 1 133 VAL HA 0.000 . 4.300 2.427 2.196 2.767 . 0 0 "[ . 1]" 1
615 1 76 PHE QE 1 133 VAL QG 0.000 . 9.000 3.493 3.037 3.847 . 0 0 "[ . 1]" 1
616 1 76 PHE QE 1 136 GLY QA 0.000 . 5.300 2.708 2.179 3.687 . 0 0 "[ . 1]" 1
617 1 77 ALA H 1 78 MET H 0.000 . 3.500 2.377 2.270 2.647 . 0 0 "[ . 1]" 1
618 1 77 ALA HA 1 78 MET H 0.000 . 5.000 3.496 3.408 3.578 . 0 0 "[ . 1]" 1
619 1 77 ALA HA 1 80 HIS H 0.000 . 5.000 4.318 3.218 5.005 0.005 7 0 "[ . 1]" 1
620 1 77 ALA HA 1 80 HIS QB 0.000 . 4.300 3.182 2.892 3.512 . 0 0 "[ . 1]" 1
621 1 77 ALA HA 1 133 VAL HA 0.000 . 5.000 3.340 2.989 3.802 . 0 0 "[ . 1]" 1
622 1 77 ALA HA 1 133 VAL QG 0.000 . 6.300 1.888 1.840 2.039 . 0 0 "[ . 1]" 1
623 1 77 ALA MB 1 78 MET H 0.000 . 4.500 2.652 2.250 3.051 . 0 0 "[ . 1]" 1
624 1 77 ALA MB 1 78 MET HA 0.000 . 4.800 3.808 3.665 3.897 . 0 0 "[ . 1]" 1
625 1 77 ALA MB 1 82 ALA H 0.000 . 6.500 3.769 3.018 4.849 . 0 0 "[ . 1]" 1
626 1 77 ALA MB 1 82 ALA MB 0.000 . 5.900 1.971 1.779 2.215 . 0 0 "[ . 1]" 1
627 1 77 ALA MB 1 87 ALA MB 0.000 . 6.300 2.652 2.324 3.058 . 0 0 "[ . 1]" 1
628 1 77 ALA MB 1 90 LEU QD 0.000 . 9.500 2.952 2.677 3.257 . 0 0 "[ . 1]" 1
629 1 77 ALA MB 1 133 VAL HA 0.000 . 4.800 3.829 3.592 3.922 . 0 0 "[ . 1]" 1
630 1 77 ALA MB 1 133 VAL QG 0.000 . 7.800 1.844 1.778 2.029 . 0 0 "[ . 1]" 1
631 1 78 MET H 1 79 LYS H 0.000 . 3.500 2.595 2.429 2.867 . 0 0 "[ . 1]" 1
632 1 78 MET H 1 80 HIS H 0.000 . 5.000 4.410 3.940 4.954 . 0 0 "[ . 1]" 1
633 1 78 MET H 1 82 ALA MB 0.000 . 6.500 4.105 3.667 4.606 . 0 0 "[ . 1]" 1
634 1 78 MET HA 1 82 ALA H 0.000 . 3.500 3.386 2.578 3.583 0.083 5 0 "[ . 1]" 1
635 1 78 MET HA 1 82 ALA MB 0.000 . 4.800 3.568 2.835 3.925 . 0 0 "[ . 1]" 1
636 1 78 MET HA 1 83 ASP HA 0.000 . 5.000 2.665 2.192 3.055 . 0 0 "[ . 1]" 1
637 1 78 MET QB 1 79 LYS H 0.000 . 4.500 2.837 2.366 3.934 . 0 0 "[ . 1]" 1
638 1 78 MET QB 1 87 ALA MB 0.000 . 7.500 3.780 3.121 4.842 . 0 0 "[ . 1]" 1
639 1 78 MET ME 1 84 ASP H 0.000 . 5.000 2.947 1.982 3.963 . 0 0 "[ . 1]" 1
640 1 78 MET ME 1 84 ASP HA 0.000 . 4.800 3.490 2.068 4.063 . 0 0 "[ . 1]" 1
641 1 79 LYS H 1 80 HIS H 0.000 . 3.500 2.898 2.028 3.430 . 0 0 "[ . 1]" 1
642 1 79 LYS H 1 80 HIS HD1 0.000 . 6.000 4.634 3.978 5.348 . 0 0 "[ . 1]" 1
643 1 79 LYS HA 1 80 HIS H 0.000 . 3.500 3.022 2.659 3.471 . 0 0 "[ . 1]" 1
644 1 79 LYS HA 1 81 GLY H 0.000 . 5.000 4.798 4.173 5.056 0.056 8 0 "[ . 1]" 1
645 1 79 LYS QB 1 80 HIS H 0.000 . 4.500 3.581 2.794 3.974 . 0 0 "[ . 1]" 1
646 1 79 LYS QB 1 80 HIS HD2 0.000 . 6.000 3.625 2.431 5.000 . 0 0 "[ . 1]" 1
647 1 80 HIS H 1 81 GLY H 0.000 . 3.500 2.083 1.663 2.465 . 0 0 "[ . 1]" 1
648 1 80 HIS H 1 82 ALA H 0.000 . 5.000 3.854 3.246 4.444 . 0 0 "[ . 1]" 1
649 1 80 HIS HA 1 81 GLY H 0.000 . 3.500 3.502 3.124 3.580 0.080 2 0 "[ . 1]" 1
650 1 80 HIS QB 1 81 GLY H 0.000 . 6.000 2.697 2.327 3.613 . 0 0 "[ . 1]" 1
651 1 80 HIS QB 1 130 ASN QD 0.000 . 7.000 4.028 1.938 5.147 . 0 0 "[ . 1]" 1
652 1 80 HIS QB 1 133 VAL QG 0.000 . 6.900 1.946 1.786 2.294 . 0 0 "[ . 1]" 1
653 1 81 GLY H 1 82 ALA H 0.000 . 3.500 2.352 1.756 2.948 . 0 0 "[ . 1]" 1
654 1 81 GLY H 1 133 VAL QG 0.000 . 8.000 2.975 2.194 3.439 . 0 0 "[ . 1]" 1
655 1 81 GLY QA 1 82 ALA H 0.000 . 4.500 2.639 2.377 2.877 . 0 0 "[ . 1]" 1
656 1 81 GLY QA 1 130 ASN QD 0.000 . 7.000 4.167 1.982 5.411 . 0 0 "[ . 1]" 1
657 1 82 ALA H 1 83 ASP H 0.000 . 5.000 3.814 2.835 4.313 . 0 0 "[ . 1]" 1
658 1 82 ALA HA 1 83 ASP H 0.000 . 2.900 2.390 2.193 2.905 0.005 7 0 "[ . 1]" 1
659 1 82 ALA HA 1 86 MET QB 0.000 . 4.300 2.215 1.945 3.128 . 0 0 "[ . 1]" 1
660 1 82 ALA HA 1 86 MET ME 0.000 . 4.800 3.604 2.977 4.048 . 0 0 "[ . 1]" 1
661 1 82 ALA MB 1 83 ASP H 0.000 . 5.000 3.290 1.876 3.703 . 0 0 "[ . 1]" 1
662 1 82 ALA MB 1 86 MET QB 0.000 . 5.400 2.392 2.075 2.801 . 0 0 "[ . 1]" 1
663 1 82 ALA MB 1 86 MET ME 0.000 . 7.500 4.456 4.032 4.787 . 0 0 "[ . 1]" 1
664 1 82 ALA MB 1 87 ALA H 0.000 . 5.000 2.952 2.606 3.436 . 0 0 "[ . 1]" 1
665 1 82 ALA MB 1 87 ALA HA 0.000 . 4.800 2.677 2.107 3.245 . 0 0 "[ . 1]" 1
666 1 82 ALA MB 1 87 ALA MB 0.000 . 5.900 2.839 2.254 3.405 . 0 0 "[ . 1]" 1
667 1 82 ALA MB 1 118 PHE QE 0.000 . 7.500 5.806 5.762 5.861 . 0 0 "[ . 1]" 1
668 1 82 ALA MB 1 118 PHE HZ 0.000 . 6.500 5.341 5.273 5.436 . 0 0 "[ . 1]" 1
669 1 82 ALA MB 1 127 TRP HH2 0.000 . 6.500 2.774 2.427 3.324 . 0 0 "[ . 1]" 1
670 1 82 ALA MB 1 133 VAL QG 0.000 . 9.500 2.116 1.968 2.362 . 0 0 "[ . 1]" 1
671 1 83 ASP H 1 84 ASP H 0.000 . 5.000 4.362 4.166 4.635 . 0 0 "[ . 1]" 1
672 1 83 ASP H 1 86 MET H 0.000 . 5.000 3.948 3.785 4.255 . 0 0 "[ . 1]" 1
673 1 83 ASP H 1 86 MET QB 0.000 . 4.500 2.149 1.627 2.680 . 0 0 "[ . 1]" 1
674 1 83 ASP HA 1 84 ASP H 0.000 . 3.500 2.814 2.552 3.021 . 0 0 "[ . 1]" 1
675 1 83 ASP QB 1 84 ASP H 0.000 . 4.500 2.069 1.661 3.124 . 0 0 "[ . 1]" 1
676 1 83 ASP QB 1 85 ALA H 0.000 . 6.000 3.774 3.143 4.031 . 0 0 "[ . 1]" 1
677 1 84 ASP H 1 85 ALA H 0.000 . 3.500 3.294 3.100 3.471 . 0 0 "[ . 1]" 1
678 1 84 ASP H 1 86 MET H 0.000 . 5.000 4.245 3.518 4.763 . 0 0 "[ . 1]" 1
679 1 84 ASP H 1 87 ALA H 0.000 . 5.000 4.616 4.332 4.900 . 0 0 "[ . 1]" 1
680 1 84 ASP H 1 87 ALA MB 0.000 . 6.500 4.510 4.170 4.721 . 0 0 "[ . 1]" 1
681 1 84 ASP HA 1 85 ALA H 0.000 . 3.500 3.530 3.494 3.567 0.067 8 0 "[ . 1]" 1
682 1 84 ASP HA 1 87 ALA H 0.000 . 5.000 4.061 3.591 4.440 . 0 0 "[ . 1]" 1
683 1 84 ASP HA 1 87 ALA MB 0.000 . 4.400 2.948 2.409 3.282 . 0 0 "[ . 1]" 1
684 1 84 ASP QB 1 85 ALA H 0.000 . 4.500 1.816 1.667 2.144 . 0 0 "[ . 1]" 1
685 1 85 ALA H 1 86 MET H 0.000 . 3.500 2.992 2.784 3.226 . 0 0 "[ . 1]" 1
686 1 85 ALA H 1 87 ALA H 0.000 . 5.000 4.831 4.496 5.040 0.040 5 0 "[ . 1]" 1
687 1 85 ALA HA 1 88 LYS H 0.000 . 5.000 3.859 3.520 4.153 . 0 0 "[ . 1]" 1
688 1 85 ALA HA 1 88 LYS QB 0.000 . 4.300 2.842 2.495 3.225 . 0 0 "[ . 1]" 1
689 1 85 ALA MB 1 86 MET H 0.000 . 5.000 2.230 1.853 2.583 . 0 0 "[ . 1]" 1
690 1 85 ALA MB 1 89 GLN H 0.000 . 6.500 4.538 4.307 4.698 . 0 0 "[ . 1]" 1
691 1 86 MET HA 1 87 ALA H 0.000 . 3.500 3.566 3.558 3.574 0.074 7 0 "[ . 1]" 1
692 1 86 MET HA 1 89 GLN QB 0.000 . 3.900 2.692 2.386 3.051 . 0 0 "[ . 1]" 1
693 1 86 MET HA 1 127 TRP HH2 0.000 . 5.000 3.841 3.238 4.376 . 0 0 "[ . 1]" 1
694 1 86 MET HA 1 127 TRP HZ2 0.000 . 2.900 3.026 2.937 3.184 0.284 9 0 "[ . 1]" 1
695 1 86 MET QB 1 87 ALA H 0.000 . 4.500 2.016 1.824 2.355 . 0 0 "[ . 1]" 1
696 1 86 MET ME 1 127 TRP QB 0.000 . 7.500 3.454 3.106 3.722 . 0 0 "[ . 1]" 1
697 1 86 MET ME 1 127 TRP HE3 0.000 . 4.800 3.054 2.813 3.332 . 0 0 "[ . 1]" 1
698 1 86 MET ME 1 127 TRP HH2 0.000 . 6.500 3.409 2.845 3.969 . 0 0 "[ . 1]" 1
699 1 86 MET ME 1 127 TRP HZ2 0.000 . 6.500 3.600 2.933 4.133 . 0 0 "[ . 1]" 1
700 1 86 MET ME 1 127 TRP HZ3 0.000 . 4.800 3.041 2.544 3.399 . 0 0 "[ . 1]" 1
701 1 86 MET ME 1 129 PRO HA 0.000 . 6.500 4.913 4.366 5.276 . 0 0 "[ . 1]" 1
702 1 87 ALA H 1 88 LYS H 0.000 . 3.500 3.050 2.805 3.174 . 0 0 "[ . 1]" 1
703 1 87 ALA H 1 89 GLN H 0.000 . 5.000 4.471 4.223 4.971 . 0 0 "[ . 1]" 1
704 1 87 ALA HA 1 88 LYS H 0.000 . 5.000 3.565 3.542 3.577 . 0 0 "[ . 1]" 1
705 1 87 ALA HA 1 90 LEU QB 0.000 . 4.300 2.586 2.132 3.070 . 0 0 "[ . 1]" 1
706 1 87 ALA HA 1 90 LEU QD 0.000 . 6.300 2.750 2.042 3.117 . 0 0 "[ . 1]" 1
707 1 87 ALA HA 1 90 LEU HG 0.000 . 5.000 3.019 2.175 4.629 . 0 0 "[ . 1]" 1
708 1 87 ALA HA 1 91 VAL H 0.000 . 5.000 4.080 3.800 4.399 . 0 0 "[ . 1]" 1
709 1 87 ALA MB 1 88 LYS H 0.000 . 5.000 2.255 1.938 2.592 . 0 0 "[ . 1]" 1
710 1 88 LYS H 1 89 GLN H 0.000 . 3.500 2.855 2.657 3.033 . 0 0 "[ . 1]" 1
711 1 88 LYS HA 1 89 GLN H 0.000 . 3.500 3.548 3.529 3.561 0.061 3 0 "[ . 1]" 1
712 1 88 LYS HA 1 90 LEU H 0.000 . 5.000 4.549 4.222 4.833 . 0 0 "[ . 1]" 1
713 1 88 LYS HA 1 91 VAL H 0.000 . 3.500 3.556 3.510 3.615 0.115 3 0 "[ . 1]" 1
714 1 88 LYS HA 1 91 VAL HB 0.000 . 2.900 2.810 2.546 2.949 0.049 2 0 "[ . 1]" 1
715 1 88 LYS HA 1 91 VAL QG 0.000 . 6.300 3.342 2.752 3.530 . 0 0 "[ . 1]" 1
716 1 88 LYS QB 1 89 GLN H 0.000 . 4.500 2.323 1.875 2.540 . 0 0 "[ . 1]" 1
717 1 89 GLN H 1 90 LEU H 0.000 . 3.500 2.774 2.613 2.948 . 0 0 "[ . 1]" 1
718 1 89 GLN HA 1 92 ASP H 0.000 . 3.500 3.372 3.185 3.508 0.008 9 0 "[ . 1]" 1
719 1 89 GLN HA 1 92 ASP QB 0.000 . 3.900 2.494 2.139 2.776 . 0 0 "[ . 1]" 1
720 1 89 GLN QB 1 90 LEU QD 0.000 . 9.000 2.758 2.487 3.581 . 0 0 "[ . 1]" 1
721 1 89 GLN QB 1 125 LEU QD 0.000 . 9.000 3.718 2.875 4.961 . 0 0 "[ . 1]" 1
722 1 89 GLN QB 1 127 TRP HZ2 0.000 . 4.300 3.427 3.027 3.875 . 0 0 "[ . 1]" 1
723 1 89 GLN QE 1 125 LEU QD 0.000 . 9.500 3.579 1.916 5.649 . 0 0 "[ . 1]" 1
724 1 90 LEU H 1 91 VAL H 0.000 . 3.500 2.788 2.659 2.930 . 0 0 "[ . 1]" 1
725 1 90 LEU H 1 118 PHE HZ 0.000 . 5.000 5.078 5.025 5.134 0.134 1 0 "[ . 1]" 1
726 1 90 LEU HA 1 91 VAL H 0.000 . 3.500 3.528 3.509 3.547 0.047 5 0 "[ . 1]" 1
727 1 90 LEU HA 1 93 LEU H 0.000 . 3.500 3.588 3.540 3.611 0.111 8 0 "[ . 1]" 1
728 1 90 LEU HA 1 93 LEU QD 0.000 . 6.300 2.919 2.252 3.712 . 0 0 "[ . 1]" 1
729 1 90 LEU HA 1 118 PHE QE 0.000 . 6.000 2.184 2.135 2.339 . 0 0 "[ . 1]" 1
730 1 90 LEU HA 1 118 PHE HZ 0.000 . 2.900 2.959 2.809 3.038 0.138 5 0 "[ . 1]" 1
731 1 90 LEU QB 1 91 VAL H 0.000 . 6.000 2.397 2.182 2.517 . 0 0 "[ . 1]" 1
732 1 90 LEU QD 1 118 PHE QE 0.000 . 7.300 2.733 2.580 3.426 . 0 0 "[ . 1]" 1
733 1 90 LEU QD 1 118 PHE HZ 0.000 . 6.300 2.105 1.915 2.994 . 0 0 "[ . 1]" 1
734 1 90 LEU QD 1 125 LEU QD 0.000 . 9.300 3.701 2.613 4.756 . 0 0 "[ . 1]" 1
735 1 90 LEU QD 1 127 TRP HH2 0.000 . 6.300 2.182 1.820 2.345 . 0 0 "[ . 1]" 1
736 1 90 LEU QD 1 127 TRP HZ2 0.000 . 6.300 2.513 2.099 3.183 . 0 0 "[ . 1]" 1
737 1 90 LEU QD 1 129 PRO QB 0.000 . 7.300 2.613 1.943 3.204 . 0 0 "[ . 1]" 1
738 1 90 LEU HG 1 91 VAL H 0.000 . 5.000 4.260 4.042 4.990 . 0 0 "[ . 1]" 1
739 1 90 LEU HG 1 127 TRP HH2 0.000 . 3.300 3.265 2.959 3.384 0.084 9 0 "[ . 1]" 1
740 1 91 VAL H 1 92 ASP H 0.000 . 3.500 2.618 2.404 2.817 . 0 0 "[ . 1]" 1
741 1 91 VAL H 1 93 LEU H 0.000 . 5.000 3.815 3.676 3.996 . 0 0 "[ . 1]" 1
742 1 91 VAL HA 1 92 ASP H 0.000 . 5.000 3.554 3.513 3.576 . 0 0 "[ . 1]" 1
743 1 91 VAL HA 1 94 ILE H 0.000 . 3.500 3.452 3.305 3.560 0.060 1 0 "[ . 1]" 1
744 1 91 VAL HA 1 94 ILE HB 0.000 . 2.900 3.094 2.999 3.226 0.326 3 0 "[ . 1]" 1
745 1 91 VAL HA 1 94 ILE MD 0.000 . 6.500 4.387 3.950 5.177 . 0 0 "[ . 1]" 1
746 1 91 VAL HA 1 94 ILE MG 0.000 . 4.400 2.592 2.140 2.917 . 0 0 "[ . 1]" 1
747 1 91 VAL HA 1 95 HIS HE1 0.000 . 3.300 3.353 3.254 3.545 0.245 3 0 "[ . 1]" 1
748 1 91 VAL HB 1 92 ASP H 0.000 . 3.500 2.715 2.270 2.883 . 0 0 "[ . 1]" 1
749 1 91 VAL QG 1 92 ASP H 0.000 . 8.000 2.689 2.213 3.310 . 0 0 "[ . 1]" 1
750 1 91 VAL QG 1 95 HIS HD2 0.000 . 8.000 4.343 2.534 4.770 . 0 0 "[ . 1]" 1
751 1 91 VAL QG 1 95 HIS HE1 0.000 . 6.300 2.020 1.903 2.506 . 0 0 "[ . 1]" 1
752 1 92 ASP H 1 93 LEU H 0.000 . 3.500 2.595 2.329 2.709 . 0 0 "[ . 1]" 1
753 1 92 ASP HA 1 95 HIS H 0.000 . 5.000 3.873 3.725 4.043 . 0 0 "[ . 1]" 1
754 1 92 ASP HA 1 95 HIS QB 0.000 . 3.900 2.822 2.561 3.006 . 0 0 "[ . 1]" 1
755 1 92 ASP HA 1 96 GLY H 0.000 . 5.000 4.004 3.775 4.153 . 0 0 "[ . 1]" 1
756 1 92 ASP QB 1 93 LEU H 0.000 . 4.500 2.927 2.839 3.029 . 0 0 "[ . 1]" 1
757 1 93 LEU H 1 94 ILE H 0.000 . 3.500 2.461 2.360 2.623 . 0 0 "[ . 1]" 1
758 1 93 LEU H 1 95 HIS H 0.000 . 3.500 3.610 3.572 3.649 0.149 10 0 "[ . 1]" 1
759 1 93 LEU H 1 118 PHE QE 0.000 . 6.000 3.945 3.805 4.153 . 0 0 "[ . 1]" 1
760 1 93 LEU HA 1 94 ILE H 0.000 . 5.000 3.567 3.550 3.588 . 0 0 "[ . 1]" 1
761 1 93 LEU HA 1 96 GLY H 0.000 . 5.000 3.146 2.946 3.360 . 0 0 "[ . 1]" 1
762 1 93 LEU HA 1 97 CYS H 0.000 . 5.000 4.143 3.790 4.365 . 0 0 "[ . 1]" 1
763 1 93 LEU QD 1 118 PHE QE 0.000 . 9.000 2.933 2.445 3.376 . 0 0 "[ . 1]" 1
764 1 93 LEU QD 1 118 PHE HZ 0.000 . 8.000 4.457 4.057 4.861 . 0 0 "[ . 1]" 1
765 1 93 LEU QD 1 121 GLU QB 0.000 . 9.000 2.444 1.966 3.297 . 0 0 "[ . 1]" 1
766 1 93 LEU QD 1 122 ILE HA 0.000 . 6.300 3.454 2.817 4.234 . 0 0 "[ . 1]" 1
767 1 93 LEU QD 1 125 LEU QD 0.000 . 9.300 2.471 2.023 3.396 . 0 0 "[ . 1]" 1
768 1 94 ILE H 1 95 HIS H 0.000 . 3.500 2.694 2.616 2.792 . 0 0 "[ . 1]" 1
769 1 94 ILE H 1 96 GLY H 0.000 . 5.000 4.152 3.986 4.475 . 0 0 "[ . 1]" 1
770 1 94 ILE H 1 118 PHE QD 0.000 . 6.000 3.113 2.914 3.409 . 0 0 "[ . 1]" 1
771 1 94 ILE H 1 118 PHE QE 0.000 . 6.000 2.941 2.762 3.315 . 0 0 "[ . 1]" 1
772 1 94 ILE HA 1 95 HIS H 0.000 . 5.000 3.494 3.468 3.514 . 0 0 "[ . 1]" 1
773 1 94 ILE HA 1 95 HIS QB 0.000 . 6.000 5.372 5.349 5.417 . 0 0 "[ . 1]" 1
774 1 94 ILE HA 1 97 CYS H 0.000 . 5.000 3.729 3.472 3.914 . 0 0 "[ . 1]" 1
775 1 94 ILE HA 1 97 CYS QB 0.000 . 3.900 3.209 2.575 3.457 . 0 0 "[ . 1]" 1
776 1 94 ILE HA 1 98 GLU H 0.000 . 5.000 4.629 4.472 4.750 . 0 0 "[ . 1]" 1
777 1 94 ILE HA 1 114 ILE MG 0.000 . 6.500 3.092 2.794 3.568 . 0 0 "[ . 1]" 1
778 1 94 ILE HA 1 118 PHE QB 0.000 . 6.000 2.828 2.570 3.017 . 0 0 "[ . 1]" 1
779 1 94 ILE HA 1 118 PHE QD 0.000 . 3.900 2.776 2.451 3.355 . 0 0 "[ . 1]" 1
780 1 94 ILE HB 1 95 HIS H 0.000 . 5.000 3.444 3.237 3.716 . 0 0 "[ . 1]" 1
781 1 94 ILE HB 1 118 PHE QD 0.000 . 3.900 3.510 3.219 3.869 . 0 0 "[ . 1]" 1
782 1 94 ILE HB 1 118 PHE QE 0.000 . 3.900 3.417 3.124 3.883 . 0 0 "[ . 1]" 1
783 1 94 ILE MD 1 115 ALA HA 0.000 . 6.500 4.235 3.832 4.780 . 0 0 "[ . 1]" 1
784 1 94 ILE MD 1 118 PHE H 0.000 . 6.500 5.120 4.211 5.446 . 0 0 "[ . 1]" 1
785 1 94 ILE MD 1 118 PHE QB 0.000 . 7.500 3.098 2.099 3.374 . 0 0 "[ . 1]" 1
786 1 94 ILE MD 1 118 PHE QD 0.000 . 5.800 3.302 2.481 4.141 . 0 0 "[ . 1]" 1
787 1 94 ILE MD 1 118 PHE QE 0.000 . 7.500 3.732 3.088 4.923 . 0 0 "[ . 1]" 1
788 1 94 ILE MD 1 138 VAL H 0.000 . 6.500 3.116 2.653 3.997 . 0 0 "[ . 1]" 1
789 1 94 ILE MD 1 138 VAL HA 0.000 . 4.400 2.328 1.994 2.896 . 0 0 "[ . 1]" 1
790 1 94 ILE MD 1 138 VAL HB 0.000 . 4.800 3.809 3.098 4.004 . 0 0 "[ . 1]" 1
791 1 94 ILE MD 1 138 VAL QG 0.000 . 7.800 2.197 1.945 2.728 . 0 0 "[ . 1]" 1
792 1 94 ILE QG 1 138 VAL HA 0.000 . 4.300 3.365 2.699 3.751 . 0 0 "[ . 1]" 1
793 1 94 ILE MG 1 95 HIS H 0.000 . 5.000 1.991 1.873 2.109 . 0 0 "[ . 1]" 1
794 1 94 ILE MG 1 95 HIS HA 0.000 . 6.500 2.882 2.818 3.013 . 0 0 "[ . 1]" 1
795 1 94 ILE MG 1 95 HIS HD2 0.000 . 4.800 4.022 3.800 4.098 . 0 0 "[ . 1]" 1
796 1 94 ILE MG 1 137 GLU QG 0.000 . 5.800 3.507 2.480 4.195 . 0 0 "[ . 1]" 1
797 1 94 ILE MG 1 138 VAL HA 0.000 . 6.500 4.080 3.548 4.523 . 0 0 "[ . 1]" 1
798 1 94 ILE MG 1 138 VAL QG 0.000 . 7.800 4.315 3.805 4.569 . 0 0 "[ . 1]" 1
799 1 94 ILE MG 1 141 GLU QB 0.000 . 5.800 3.030 2.415 3.662 . 0 0 "[ . 1]" 1
800 1 94 ILE MG 1 141 GLU QG 0.000 . 7.500 2.786 2.224 3.392 . 0 0 "[ . 1]" 1
801 1 95 HIS H 1 96 GLY H 0.000 . 3.500 2.499 2.400 2.554 . 0 0 "[ . 1]" 1
802 1 95 HIS H 1 97 CYS H 0.000 . 5.000 4.088 3.687 4.349 . 0 0 "[ . 1]" 1
803 1 95 HIS HA 1 96 GLY H 0.000 . 5.000 3.551 3.528 3.580 . 0 0 "[ . 1]" 1
804 1 95 HIS HA 1 98 GLU QB 0.000 . 3.900 2.404 2.036 3.003 . 0 0 "[ . 1]" 1
805 1 95 HIS HA 1 98 GLU QG 0.000 . 4.300 3.585 2.263 4.002 . 0 0 "[ . 1]" 1
806 1 95 HIS HA 1 99 LYS H 0.000 . 5.000 4.162 3.671 4.608 . 0 0 "[ . 1]" 1
807 1 95 HIS QB 1 96 GLY H 0.000 . 4.500 2.530 2.358 2.608 . 0 0 "[ . 1]" 1
808 1 96 GLY H 1 97 CYS H 0.000 . 3.500 2.785 2.668 2.925 . 0 0 "[ . 1]" 1
809 1 96 GLY QA 1 97 CYS H 0.000 . 6.000 2.660 2.595 2.730 . 0 0 "[ . 1]" 1
810 1 96 GLY QA 1 99 LYS H 0.000 . 6.000 3.390 3.124 3.642 . 0 0 "[ . 1]" 1
811 1 96 GLY QA 1 99 LYS QB 0.000 . 4.900 2.805 2.361 3.414 . 0 0 "[ . 1]" 1
812 1 97 CYS H 1 98 GLU H 0.000 . 3.500 2.685 2.493 2.824 . 0 0 "[ . 1]" 1
813 1 97 CYS H 1 99 LYS H 0.000 . 5.000 4.146 3.886 4.581 . 0 0 "[ . 1]" 1
814 1 97 CYS HA 1 98 GLU H 0.000 . 5.000 3.539 3.482 3.574 . 0 0 "[ . 1]" 1
815 1 97 CYS HA 1 100 SER H 0.000 . 5.000 3.236 2.949 3.574 . 0 0 "[ . 1]" 1
816 1 97 CYS HA 1 100 SER QB 0.000 . 3.900 2.234 2.052 2.586 . 0 0 "[ . 1]" 1
817 1 97 CYS HA 1 101 ILE H 0.000 . 5.000 4.020 3.574 4.737 . 0 0 "[ . 1]" 1
818 1 97 CYS HA 1 101 ILE MG 0.000 . 4.800 3.886 3.649 3.992 . 0 0 "[ . 1]" 1
819 1 97 CYS HA 1 114 ILE MG 0.000 . 5.800 4.681 4.591 4.791 . 0 0 "[ . 1]" 1
820 1 97 CYS QB 1 98 GLU H 0.000 . 4.500 2.441 2.229 2.700 . 0 0 "[ . 1]" 1
821 1 97 CYS QB 1 114 ILE MG 0.000 . 5.800 2.128 2.047 2.241 . 0 0 "[ . 1]" 1
822 1 98 GLU H 1 99 LYS H 0.000 . 3.500 2.723 2.559 2.916 . 0 0 "[ . 1]" 1
823 1 98 GLU H 1 100 SER H 0.000 . 5.000 3.758 3.601 3.852 . 0 0 "[ . 1]" 1
824 1 98 GLU HA 1 100 SER H 0.000 . 3.500 3.726 3.605 3.841 0.341 8 0 "[ . 1]" 1
825 1 98 GLU HA 1 101 ILE H 0.000 . 5.000 3.796 3.411 4.036 . 0 0 "[ . 1]" 1
826 1 98 GLU HA 1 114 ILE MD 0.000 . 4.800 2.749 2.157 3.240 . 0 0 "[ . 1]" 1
827 1 98 GLU QB 1 99 LYS H 0.000 . 4.500 2.514 2.104 2.840 . 0 0 "[ . 1]" 1
828 1 98 GLU QB 1 114 ILE MD 0.000 . 5.800 3.409 2.844 3.959 . 0 0 "[ . 1]" 1
829 1 98 GLU QG 1 99 LYS H 0.000 . 6.000 4.207 3.859 4.479 . 0 0 "[ . 1]" 1
830 1 98 GLU QG 1 114 ILE MD 0.000 . 5.800 2.247 1.857 2.769 . 0 0 "[ . 1]" 1
831 1 98 GLU QG 1 114 ILE MG 0.000 . 5.800 3.424 2.189 4.156 . 0 0 "[ . 1]" 1
832 1 99 LYS H 1 100 SER H 0.000 . 3.500 2.427 2.245 2.637 . 0 0 "[ . 1]" 1
833 1 99 LYS HA 1 100 SER H 0.000 . 5.000 3.340 3.315 3.359 . 0 0 "[ . 1]" 1
834 1 99 LYS HA 1 101 ILE H 0.000 . 5.000 4.571 3.386 5.035 0.035 10 0 "[ . 1]" 1
835 1 99 LYS QB 1 100 SER H 0.000 . 4.500 3.212 3.128 3.356 . 0 0 "[ . 1]" 1
836 1 100 SER H 1 101 ILE H 0.000 . 3.500 2.389 2.004 2.683 . 0 0 "[ . 1]" 1
837 1 100 SER H 1 101 ILE MD 0.000 . 6.500 4.771 3.214 5.637 . 0 0 "[ . 1]" 1
838 1 100 SER H 1 101 ILE QG 0.000 . 6.000 4.341 3.059 5.595 . 0 0 "[ . 1]" 1
839 1 100 SER H 1 101 ILE MG 0.000 . 6.500 3.508 2.864 3.974 . 0 0 "[ . 1]" 1
840 1 100 SER HA 1 101 ILE H 0.000 . 5.000 3.502 3.202 3.599 . 0 0 "[ . 1]" 1
841 1 100 SER QB 1 101 ILE H 0.000 . 4.500 2.467 2.030 3.289 . 0 0 "[ . 1]" 1
842 1 101 ILE H 1 102 PRO QD 0.000 . 6.000 4.128 3.651 4.304 . 0 0 "[ . 1]" 1
843 1 101 ILE HA 1 102 PRO QD 0.000 . 3.900 1.934 1.921 1.973 . 0 0 "[ . 1]" 1
844 1 101 ILE HB 1 102 PRO QD 0.000 . 4.300 3.124 2.275 3.921 . 0 0 "[ . 1]" 1
845 1 101 ILE HB 1 113 SER QB 0.000 . 6.000 4.165 2.073 4.909 . 0 0 "[ . 1]" 1
846 1 101 ILE MD 1 110 GLU HA 0.000 . 4.800 2.833 1.998 3.951 . 0 0 "[ . 1]" 1
847 1 101 ILE MD 1 110 GLU QB 0.000 . 5.800 2.887 2.066 4.023 . 0 0 "[ . 1]" 1
848 1 101 ILE MD 1 110 GLU QG 0.000 . 5.800 2.667 1.836 3.654 . 0 0 "[ . 1]" 1
849 1 101 ILE MD 1 113 SER QB 0.000 . 5.800 3.194 1.940 4.035 . 0 0 "[ . 1]" 1
850 1 101 ILE MG 1 110 GLU HA 0.000 . 4.800 3.740 3.352 3.911 . 0 0 "[ . 1]" 1
851 1 101 ILE MG 1 110 GLU QG 0.000 . 5.800 3.843 3.323 4.201 . 0 0 "[ . 1]" 1
852 1 101 ILE MG 1 113 SER QB 0.000 . 5.800 2.875 1.885 3.942 . 0 0 "[ . 1]" 1
853 1 103 PRO HA 1 104 ASN H 0.000 . 2.900 2.244 2.144 2.390 . 0 0 "[ . 1]" 1
854 1 103 PRO QB 1 104 ASN H 0.000 . 4.500 3.664 3.252 3.928 . 0 0 "[ . 1]" 1
855 1 104 ASN H 1 105 ASP H 0.000 . 5.000 3.740 1.566 4.394 . 0 0 "[ . 1]" 1
856 1 104 ASN H 1 106 ASP H 0.000 . 5.000 4.836 4.052 5.125 0.125 1 0 "[ . 1]" 1
857 1 104 ASN H 1 110 GLU QG 0.000 . 6.000 3.463 2.109 5.052 . 0 0 "[ . 1]" 1
858 1 104 ASN HA 1 105 ASP H 0.000 . 2.900 2.752 2.279 3.305 0.405 7 0 "[ . 1]" 1
859 1 104 ASN QB 1 105 ASP H 0.000 . 6.000 2.818 1.655 4.031 . 0 0 "[ . 1]" 1
860 1 104 ASN QB 1 110 GLU HA 0.000 . 6.000 4.499 3.972 5.187 . 0 0 "[ . 1]" 1
861 1 104 ASN QB 1 110 GLU QB 0.000 . 7.000 4.439 3.705 5.442 . 0 0 "[ . 1]" 1
862 1 104 ASN QD 1 106 ASP H 0.000 . 6.000 3.845 3.131 5.026 . 0 0 "[ . 1]" 1
863 1 104 ASN QD 1 109 MET QB 0.000 . 5.500 3.113 1.660 4.182 . 0 0 "[ . 1]" 1
864 1 104 ASN QD 1 110 GLU HA 0.000 . 6.000 4.560 2.704 5.335 . 0 0 "[ . 1]" 1
865 1 105 ASP H 1 106 ASP H 0.000 . 3.500 2.944 1.788 3.532 0.032 4 0 "[ . 1]" 1
866 1 105 ASP HA 1 106 ASP H 0.000 . 3.500 3.272 2.597 3.562 0.062 10 0 "[ . 1]" 1
867 1 105 ASP QB 1 110 GLU QG 0.000 . 7.000 5.399 4.907 5.660 . 0 0 "[ . 1]" 1
868 1 106 ASP H 1 107 ARG H 0.000 . 5.000 4.346 3.813 4.606 . 0 0 "[ . 1]" 1
869 1 106 ASP H 1 109 MET H 0.000 . 5.000 4.707 4.008 5.144 0.144 8 0 "[ . 1]" 1
870 1 106 ASP H 1 109 MET QB 0.000 . 6.000 3.608 2.831 4.284 . 0 0 "[ . 1]" 1
871 1 106 ASP HA 1 107 ARG H 0.000 . 2.900 2.352 2.119 2.681 . 0 0 "[ . 1]" 1
872 1 106 ASP QB 1 107 ARG H 0.000 . 6.000 3.056 2.234 3.858 . 0 0 "[ . 1]" 1
873 1 106 ASP QB 1 109 MET H 0.000 . 6.000 2.595 2.226 3.037 . 0 0 "[ . 1]" 1
874 1 106 ASP QB 1 109 MET QB 0.000 . 7.000 2.500 1.864 3.802 . 0 0 "[ . 1]" 1
875 1 106 ASP QB 1 110 GLU H 0.000 . 6.000 3.651 2.383 4.635 . 0 0 "[ . 1]" 1
876 1 107 ARG H 1 108 CYS H 0.000 . 3.500 2.689 2.360 3.497 . 0 0 "[ . 1]" 1
877 1 107 ARG H 1 109 MET H 0.000 . 5.000 4.076 3.428 4.508 . 0 0 "[ . 1]" 1
878 1 107 ARG HA 1 108 CYS H 0.000 . 5.000 3.544 3.486 3.569 . 0 0 "[ . 1]" 1
879 1 107 ARG QB 1 108 CYS H 0.000 . 4.500 2.415 1.822 3.281 . 0 0 "[ . 1]" 1
880 1 108 CYS H 1 109 MET H 0.000 . 3.500 2.803 2.555 2.915 . 0 0 "[ . 1]" 1
881 1 108 CYS H 1 110 GLU H 0.000 . 5.000 4.337 4.114 4.662 . 0 0 "[ . 1]" 1
882 1 108 CYS HA 1 109 MET H 0.000 . 5.000 3.545 3.502 3.597 . 0 0 "[ . 1]" 1
883 1 108 CYS HA 1 111 VAL H 0.000 . 5.000 3.861 3.661 4.271 . 0 0 "[ . 1]" 1
884 1 108 CYS HA 1 111 VAL HB 0.000 . 2.900 2.889 2.738 3.032 0.132 2 0 "[ . 1]" 1
885 1 108 CYS HA 1 111 VAL QG 0.000 . 8.000 3.394 3.138 3.603 . 0 0 "[ . 1]" 1
886 1 108 CYS QB 1 109 MET H 0.000 . 4.500 2.765 2.417 3.363 . 0 0 "[ . 1]" 1
887 1 109 MET H 1 110 GLU H 0.000 . 3.500 2.487 2.394 2.583 . 0 0 "[ . 1]" 1
888 1 109 MET H 1 110 GLU HA 0.000 . 5.000 5.152 5.104 5.205 0.205 4 0 "[ . 1]" 1
889 1 109 MET HA 1 110 GLU H 0.000 . 5.000 3.535 3.509 3.556 . 0 0 "[ . 1]" 1
890 1 109 MET HA 1 112 LEU H 0.000 . 5.000 3.433 3.212 3.619 . 0 0 "[ . 1]" 1
891 1 109 MET HA 1 112 LEU QB 0.000 . 3.900 2.556 2.393 2.710 . 0 0 "[ . 1]" 1
892 1 109 MET HA 1 112 LEU QD 0.000 . 8.000 3.257 2.373 4.147 . 0 0 "[ . 1]" 1
893 1 109 MET HA 1 113 SER H 0.000 . 5.000 4.191 3.585 4.539 . 0 0 "[ . 1]" 1
894 1 109 MET ME 1 112 LEU QB 0.000 . 5.800 3.368 2.652 3.991 . 0 0 "[ . 1]" 1
895 1 109 MET ME 1 112 LEU QD 0.000 . 7.800 2.854 2.356 3.905 . 0 0 "[ . 1]" 1
896 1 110 GLU H 1 111 VAL H 0.000 . 3.500 2.716 2.592 2.982 . 0 0 "[ . 1]" 1
897 1 110 GLU H 1 112 LEU H 0.000 . 5.000 3.980 3.739 4.160 . 0 0 "[ . 1]" 1
898 1 110 GLU HA 1 111 VAL H 0.000 . 5.000 3.540 3.506 3.563 . 0 0 "[ . 1]" 1
899 1 110 GLU HA 1 113 SER QB 0.000 . 4.300 3.016 2.397 3.337 . 0 0 "[ . 1]" 1
900 1 110 GLU HA 1 114 ILE MD 0.000 . 6.500 3.936 3.403 4.489 . 0 0 "[ . 1]" 1
901 1 110 GLU QB 1 111 VAL H 0.000 . 4.500 2.389 1.972 2.656 . 0 0 "[ . 1]" 1
902 1 111 VAL H 1 112 LEU H 0.000 . 3.500 2.648 2.432 2.940 . 0 0 "[ . 1]" 1
903 1 111 VAL HA 1 112 LEU H 0.000 . 3.500 3.504 3.457 3.541 0.041 3 0 "[ . 1]" 1
904 1 111 VAL HA 1 114 ILE H 0.000 . 5.000 3.495 3.259 3.804 . 0 0 "[ . 1]" 1
905 1 111 VAL HA 1 114 ILE HB 0.000 . 2.900 2.884 2.724 3.000 0.100 8 0 "[ . 1]" 1
906 1 111 VAL HA 1 114 ILE MD 0.000 . 4.800 2.320 1.953 4.042 . 0 0 "[ . 1]" 1
907 1 111 VAL HB 1 112 LEU H 0.000 . 3.500 2.822 2.473 3.023 . 0 0 "[ . 1]" 1
908 1 112 LEU H 1 113 SER H 0.000 . 3.500 2.513 2.448 2.606 . 0 0 "[ . 1]" 1
909 1 112 LEU H 1 113 SER HA 0.000 . 5.000 5.174 5.122 5.251 0.251 7 0 "[ . 1]" 1
910 1 112 LEU H 1 114 ILE H 0.000 . 5.000 4.070 3.858 4.299 . 0 0 "[ . 1]" 1
911 1 112 LEU HA 1 113 SER H 0.000 . 5.000 3.513 3.466 3.553 . 0 0 "[ . 1]" 1
912 1 112 LEU HA 1 115 ALA H 0.000 . 5.000 3.703 3.567 4.236 . 0 0 "[ . 1]" 1
913 1 112 LEU HA 1 115 ALA MB 0.000 . 4.400 2.990 2.755 3.505 . 0 0 "[ . 1]" 1
914 1 112 LEU QB 1 113 SER H 0.000 . 4.500 2.565 2.382 2.802 . 0 0 "[ . 1]" 1
915 1 112 LEU QD 1 116 MET ME 0.000 . 7.800 3.643 2.422 4.617 . 0 0 "[ . 1]" 1
916 1 113 SER H 1 114 ILE H 0.000 . 3.500 2.630 2.410 2.774 . 0 0 "[ . 1]" 1
917 1 113 SER HA 1 114 ILE H 0.000 . 3.500 3.530 3.494 3.562 0.062 2 0 "[ . 1]" 1
918 1 113 SER HA 1 115 ALA H 0.000 . 5.000 4.500 4.013 4.821 . 0 0 "[ . 1]" 1
919 1 113 SER HA 1 116 MET H 0.000 . 5.000 3.596 3.385 3.939 . 0 0 "[ . 1]" 1
920 1 113 SER HA 1 116 MET QB 0.000 . 3.900 3.024 2.380 3.181 . 0 0 "[ . 1]" 1
921 1 113 SER HA 1 116 MET QG 0.000 . 3.900 3.261 2.805 3.602 . 0 0 "[ . 1]" 1
922 1 113 SER QB 1 114 ILE H 0.000 . 4.500 2.553 2.372 2.819 . 0 0 "[ . 1]" 1
923 1 113 SER QB 1 114 ILE MD 0.000 . 7.500 3.933 2.398 4.536 . 0 0 "[ . 1]" 1
924 1 114 ILE H 1 115 ALA H 0.000 . 3.500 2.751 2.482 3.091 . 0 0 "[ . 1]" 1
925 1 114 ILE HA 1 115 ALA H 0.000 . 5.000 3.551 3.483 3.579 . 0 0 "[ . 1]" 1
926 1 114 ILE HB 1 115 ALA H 0.000 . 3.500 2.452 2.192 2.875 . 0 0 "[ . 1]" 1
927 1 114 ILE MD 1 115 ALA H 0.000 . 5.000 4.076 3.959 4.151 . 0 0 "[ . 1]" 1
928 1 114 ILE MG 1 115 ALA H 0.000 . 5.000 3.348 3.060 3.741 . 0 0 "[ . 1]" 1
929 1 114 ILE MG 1 138 VAL QG 0.000 . 7.800 2.969 2.268 3.462 . 0 0 "[ . 1]" 1
930 1 115 ALA H 1 116 MET H 0.000 . 3.500 2.789 2.563 2.979 . 0 0 "[ . 1]" 1
931 1 115 ALA HA 1 118 PHE QB 0.000 . 3.900 2.884 2.576 3.238 . 0 0 "[ . 1]" 1
932 1 115 ALA HA 1 138 VAL QG 0.000 . 8.000 2.702 2.020 3.112 . 0 0 "[ . 1]" 1
933 1 115 ALA MB 1 116 MET H 0.000 . 5.000 2.316 2.221 2.480 . 0 0 "[ . 1]" 1
934 1 115 ALA MB 1 138 VAL QG 0.000 . 7.800 2.498 1.904 3.054 . 0 0 "[ . 1]" 1
935 1 116 MET H 1 117 CYS H 0.000 . 3.500 2.655 2.511 2.807 . 0 0 "[ . 1]" 1
936 1 116 MET H 1 118 PHE H 0.000 . 5.000 4.557 4.316 4.795 . 0 0 "[ . 1]" 1
937 1 116 MET HA 1 117 CYS H 0.000 . 5.000 3.516 3.418 3.560 . 0 0 "[ . 1]" 1
938 1 116 MET HA 1 117 CYS HA 0.000 . 5.000 4.735 4.700 4.783 . 0 0 "[ . 1]" 1
939 1 116 MET HA 1 119 LYS H 0.000 . 5.000 4.018 3.769 4.203 . 0 0 "[ . 1]" 1
940 1 116 MET HA 1 119 LYS QB 0.000 . 3.900 3.235 2.829 3.463 . 0 0 "[ . 1]" 1
941 1 116 MET HA 1 120 LYS H 0.000 . 5.000 4.260 3.889 4.585 . 0 0 "[ . 1]" 1
942 1 116 MET QB 1 117 CYS H 0.000 . 4.500 2.858 2.348 3.418 . 0 0 "[ . 1]" 1
943 1 116 MET QG 1 117 CYS H 0.000 . 6.000 3.125 1.845 4.034 . 0 0 "[ . 1]" 1
944 1 117 CYS H 1 118 PHE H 0.000 . 3.500 2.727 2.612 2.958 . 0 0 "[ . 1]" 1
945 1 117 CYS HA 1 120 LYS H 0.000 . 5.000 3.356 3.173 3.655 . 0 0 "[ . 1]" 1
946 1 117 CYS HA 1 120 LYS QB 0.000 . 3.900 2.500 2.356 2.653 . 0 0 "[ . 1]" 1
947 1 117 CYS QB 1 118 PHE H 0.000 . 4.500 2.216 1.960 2.512 . 0 0 "[ . 1]" 1
948 1 118 PHE H 1 119 LYS H 0.000 . 3.500 2.957 2.802 3.083 . 0 0 "[ . 1]" 1
949 1 118 PHE HA 1 119 LYS H 0.000 . 5.000 3.546 3.496 3.576 . 0 0 "[ . 1]" 1
950 1 118 PHE HA 1 121 GLU QB 0.000 . 3.900 3.130 2.948 3.445 . 0 0 "[ . 1]" 1
951 1 118 PHE QB 1 119 LYS H 0.000 . 4.500 2.451 2.219 2.688 . 0 0 "[ . 1]" 1
952 1 118 PHE QD 1 119 LYS H 0.000 . 4.500 3.830 3.324 4.177 . 0 0 "[ . 1]" 1
953 1 118 PHE QD 1 122 ILE MD 0.000 . 5.800 3.060 2.727 3.960 . 0 0 "[ . 1]" 1
954 1 118 PHE QD 1 134 VAL HA 0.000 . 6.000 3.935 3.646 4.237 . 0 0 "[ . 1]" 1
955 1 118 PHE QE 1 122 ILE MD 0.000 . 5.800 2.604 2.265 2.946 . 0 0 "[ . 1]" 1
956 1 118 PHE QE 1 134 VAL HA 0.000 . 4.300 2.380 2.239 2.602 . 0 0 "[ . 1]" 1
957 1 118 PHE QE 1 134 VAL QG 0.000 . 7.300 2.295 2.102 2.901 . 0 0 "[ . 1]" 1
958 1 118 PHE QE 1 138 VAL QG 0.000 . 9.000 4.650 4.242 5.513 . 0 0 "[ . 1]" 1
959 1 119 LYS H 1 120 LYS H 0.000 . 3.500 2.674 2.585 2.761 . 0 0 "[ . 1]" 1
960 1 119 LYS H 1 121 GLU H 0.000 . 5.000 4.519 4.268 4.859 . 0 0 "[ . 1]" 1
961 1 119 LYS HA 1 120 LYS H 0.000 . 5.000 3.560 3.531 3.582 . 0 0 "[ . 1]" 1
962 1 119 LYS HA 1 122 ILE HB 0.000 . 2.900 2.575 2.205 2.955 0.055 3 0 "[ . 1]" 1
963 1 119 LYS HA 1 122 ILE MD 0.000 . 4.800 2.836 2.255 4.183 . 0 0 "[ . 1]" 1
964 1 119 LYS HA 1 122 ILE QG 0.000 . 4.300 3.543 2.544 3.842 . 0 0 "[ . 1]" 1
965 1 119 LYS HA 1 122 ILE MG 0.000 . 6.500 3.777 3.191 4.301 . 0 0 "[ . 1]" 1
966 1 119 LYS QB 1 120 LYS H 0.000 . 4.500 2.428 2.108 2.669 . 0 0 "[ . 1]" 1
967 1 120 LYS H 1 121 GLU H 0.000 . 3.500 2.950 2.737 3.107 . 0 0 "[ . 1]" 1
968 1 120 LYS HA 1 121 GLU H 0.000 . 5.000 3.570 3.564 3.576 . 0 0 "[ . 1]" 1
969 1 120 LYS HA 1 123 HIS H 0.000 . 5.000 3.711 3.504 4.110 . 0 0 "[ . 1]" 1
970 1 120 LYS HA 1 123 HIS QB 0.000 . 3.900 3.040 2.662 3.355 . 0 0 "[ . 1]" 1
971 1 120 LYS QB 1 121 GLU H 0.000 . 4.500 2.162 2.001 2.320 . 0 0 "[ . 1]" 1
972 1 121 GLU HA 1 122 ILE H 0.000 . 5.000 3.552 3.477 3.578 . 0 0 "[ . 1]" 1
973 1 121 GLU HA 1 123 HIS H 0.000 . 5.000 4.516 3.977 5.029 0.029 2 0 "[ . 1]" 1
974 1 121 GLU HA 1 124 ASN H 0.000 . 5.000 3.380 3.202 3.698 . 0 0 "[ . 1]" 1
975 1 121 GLU HA 1 124 ASN QB 0.000 . 3.900 2.650 2.281 3.051 . 0 0 "[ . 1]" 1
976 1 121 GLU QB 1 122 ILE H 0.000 . 4.500 2.402 2.034 2.785 . 0 0 "[ . 1]" 1
977 1 122 ILE H 1 123 HIS H 0.000 . 3.500 2.899 2.715 3.207 . 0 0 "[ . 1]" 1
978 1 122 ILE H 1 124 ASN H 0.000 . 5.000 4.102 3.839 4.411 . 0 0 "[ . 1]" 1
979 1 122 ILE HA 1 123 HIS H 0.000 . 3.500 3.539 3.486 3.557 0.057 3 0 "[ . 1]" 1
980 1 122 ILE HA 1 125 LEU H 0.000 . 5.000 3.338 3.120 3.533 . 0 0 "[ . 1]" 1
981 1 122 ILE HA 1 125 LEU QB 0.000 . 3.900 2.641 2.181 3.014 . 0 0 "[ . 1]" 1
982 1 122 ILE HA 1 125 LEU QD 0.000 . 5.900 2.916 2.135 3.584 . 0 0 "[ . 1]" 1
983 1 122 ILE HB 1 123 HIS H 0.000 . 3.500 2.477 2.071 2.885 . 0 0 "[ . 1]" 1
984 1 122 ILE MD 1 134 VAL HA 0.000 . 6.500 4.481 4.098 5.260 . 0 0 "[ . 1]" 1
985 1 122 ILE MD 1 134 VAL QG 0.000 . 7.800 2.824 2.516 3.499 . 0 0 "[ . 1]" 1
986 1 122 ILE QG 1 123 HIS H 0.000 . 6.000 2.810 2.222 3.234 . 0 0 "[ . 1]" 1
987 1 122 ILE MG 1 125 LEU QD 0.000 . 7.800 3.860 3.374 4.399 . 0 0 "[ . 1]" 1
988 1 122 ILE MG 1 128 ALA HA 0.000 . 6.500 2.310 2.009 2.898 . 0 0 "[ . 1]" 1
989 1 122 ILE MG 1 129 PRO QD 0.000 . 5.400 2.134 1.783 2.991 . 0 0 "[ . 1]" 1
990 1 123 HIS H 1 125 LEU H 0.000 . 5.000 4.120 3.851 4.308 . 0 0 "[ . 1]" 1
991 1 123 HIS HA 1 124 ASN H 0.000 . 5.000 3.500 3.430 3.551 . 0 0 "[ . 1]" 1
992 1 123 HIS HA 1 125 LEU H 0.000 . 5.000 4.151 3.904 4.545 . 0 0 "[ . 1]" 1
993 1 123 HIS HA 1 126 LYS H 0.000 . 5.000 4.303 3.488 5.030 0.030 8 0 "[ . 1]" 1
994 1 123 HIS QB 1 124 ASN H 0.000 . 3.500 2.702 2.388 2.998 . 0 0 "[ . 1]" 1
995 1 124 ASN H 1 125 LEU H 0.000 . 3.500 2.484 2.333 2.802 . 0 0 "[ . 1]" 1
996 1 124 ASN HA 1 125 LEU H 0.000 . 5.000 3.465 3.366 3.567 . 0 0 "[ . 1]" 1
997 1 124 ASN HA 1 126 LYS H 0.000 . 5.000 4.409 3.116 5.203 0.203 4 0 "[ . 1]" 1
998 1 124 ASN QB 1 125 LEU H 0.000 . 6.000 2.868 2.484 3.173 . 0 0 "[ . 1]" 1
999 1 125 LEU H 1 126 LYS H 0.000 . 3.500 2.916 2.476 3.288 . 0 0 "[ . 1]" 1
1000 1 125 LEU H 1 127 TRP H 0.000 . 5.000 4.743 3.835 5.072 0.072 2 0 "[ . 1]" 1
1001 1 125 LEU HA 1 126 LYS H 0.000 . 3.500 3.425 2.953 3.560 0.060 3 0 "[ . 1]" 1
1002 1 125 LEU QB 1 126 LYS H 0.000 . 4.500 2.444 1.655 3.687 . 0 0 "[ . 1]" 1
1003 1 125 LEU QB 1 127 TRP H 0.000 . 4.500 2.885 2.430 3.500 . 0 0 "[ . 1]" 1
1004 1 125 LEU QD 1 127 TRP HZ2 0.000 . 6.300 3.639 2.096 4.751 . 0 0 "[ . 1]" 1
1005 1 126 LYS H 1 127 TRP H 0.000 . 3.500 2.462 1.745 3.397 . 0 0 "[ . 1]" 1
1006 1 126 LYS H 1 127 TRP HD1 0.000 . 5.000 3.885 2.860 5.230 0.230 8 0 "[ . 1]" 1
1007 1 126 LYS HA 1 127 TRP H 0.000 . 3.500 3.438 2.777 3.566 0.066 5 0 "[ . 1]" 1
1008 1 126 LYS QB 1 127 TRP H 0.000 . 4.500 2.987 2.454 3.920 . 0 0 "[ . 1]" 1
1009 1 127 TRP H 1 128 ALA H 0.000 . 5.000 4.191 2.449 4.533 . 0 0 "[ . 1]" 1
1010 1 127 TRP QB 1 128 ALA H 0.000 . 4.500 2.071 1.662 3.056 . 0 0 "[ . 1]" 1
1011 1 127 TRP HD1 1 128 ALA H 0.000 . 5.000 4.957 3.910 5.125 0.125 5 0 "[ . 1]" 1
1012 1 127 TRP HZ3 1 129 PRO HA 0.000 . 2.900 2.522 2.143 2.951 0.051 4 0 "[ . 1]" 1
1013 1 128 ALA H 1 129 PRO QD 0.000 . 6.000 3.773 3.359 4.153 . 0 0 "[ . 1]" 1
1014 1 128 ALA HA 1 129 PRO QD 0.000 . 3.900 1.931 1.912 1.990 . 0 0 "[ . 1]" 1
1015 1 128 ALA MB 1 129 PRO QD 0.000 . 7.500 2.898 2.124 3.103 . 0 0 "[ . 1]" 1
1016 1 129 PRO HA 1 130 ASN H 0.000 . 2.900 2.920 2.657 3.367 0.467 5 0 "[ . 1]" 1
1017 1 129 PRO HA 1 133 VAL HB 0.000 . 5.000 4.879 4.526 5.051 0.051 1 0 "[ . 1]" 1
1018 1 129 PRO QB 1 130 ASN H 0.000 . 4.500 2.239 1.644 3.853 . 0 0 "[ . 1]" 1
1019 1 129 PRO QB 1 133 VAL HB 0.000 . 4.300 2.465 2.148 2.893 . 0 0 "[ . 1]" 1
1020 1 130 ASN H 1 131 MET H 0.000 . 5.000 4.487 4.330 4.610 . 0 0 "[ . 1]" 1
1021 1 130 ASN H 1 133 VAL HB 0.000 . 5.000 3.221 2.437 5.172 0.172 7 0 "[ . 1]" 1
1022 1 130 ASN H 1 133 VAL QG 0.000 . 8.000 3.279 2.697 4.838 . 0 0 "[ . 1]" 1
1023 1 130 ASN HA 1 131 MET H 0.000 . 2.900 2.426 2.239 2.767 . 0 0 "[ . 1]" 1
1024 1 130 ASN HA 1 132 GLU H 0.000 . 5.000 4.628 3.771 5.018 0.018 9 0 "[ . 1]" 1
1025 1 130 ASN QB 1 131 MET H 0.000 . 4.500 2.574 1.784 3.310 . 0 0 "[ . 1]" 1
1026 1 130 ASN QB 1 132 GLU H 0.000 . 4.500 3.054 2.408 3.632 . 0 0 "[ . 1]" 1
1027 1 130 ASN QB 1 133 VAL QG 0.000 . 7.300 2.579 2.113 3.059 . 0 0 "[ . 1]" 1
1028 1 131 MET H 1 132 GLU H 0.000 . 3.500 2.837 2.251 3.261 . 0 0 "[ . 1]" 1
1029 1 131 MET H 1 134 VAL HB 0.000 . 5.000 5.002 4.904 5.093 0.093 8 0 "[ . 1]" 1
1030 1 131 MET HA 1 134 VAL H 0.000 . 5.000 3.911 3.637 4.211 . 0 0 "[ . 1]" 1
1031 1 131 MET HA 1 134 VAL HB 0.000 . 2.900 2.616 2.395 2.753 . 0 0 "[ . 1]" 1
1032 1 131 MET HA 1 134 VAL QG 0.000 . 8.000 3.087 2.724 3.349 . 0 0 "[ . 1]" 1
1033 1 131 MET HA 1 135 VAL H 0.000 . 5.000 3.929 3.717 4.234 . 0 0 "[ . 1]" 1
1034 1 131 MET QB 1 135 VAL QG 0.000 . 7.300 3.801 3.356 4.107 . 0 0 "[ . 1]" 1
1035 1 132 GLU H 1 133 VAL H 0.000 . 3.500 3.102 2.850 3.327 . 0 0 "[ . 1]" 1
1036 1 132 GLU HA 1 133 VAL H 0.000 . 5.000 3.564 3.541 3.573 . 0 0 "[ . 1]" 1
1037 1 132 GLU HA 1 135 VAL H 0.000 . 5.000 3.928 3.603 4.201 . 0 0 "[ . 1]" 1
1038 1 132 GLU HA 1 135 VAL HB 0.000 . 5.000 3.126 2.848 3.237 . 0 0 "[ . 1]" 1
1039 1 132 GLU HA 1 135 VAL QG 0.000 . 6.300 3.244 2.871 3.656 . 0 0 "[ . 1]" 1
1040 1 132 GLU HA 1 136 GLY H 0.000 . 5.000 4.070 3.719 4.341 . 0 0 "[ . 1]" 1
1041 1 132 GLU QB 1 135 VAL QG 0.000 . 7.300 4.590 4.357 4.858 . 0 0 "[ . 1]" 1
1042 1 133 VAL H 1 134 VAL H 0.000 . 3.500 3.045 2.913 3.143 . 0 0 "[ . 1]" 1
1043 1 133 VAL HB 1 134 VAL H 0.000 . 3.500 2.067 1.943 2.385 . 0 0 "[ . 1]" 1
1044 1 133 VAL QG 1 134 VAL QG 0.000 . 9.300 3.392 3.134 3.571 . 0 0 "[ . 1]" 1
1045 1 134 VAL H 1 135 VAL H 0.000 . 3.500 3.083 2.892 3.294 . 0 0 "[ . 1]" 1
1046 1 134 VAL HA 1 135 VAL H 0.000 . 5.000 3.570 3.561 3.581 . 0 0 "[ . 1]" 1
1047 1 134 VAL HA 1 137 GLU QB 0.000 . 3.900 2.541 2.273 3.130 . 0 0 "[ . 1]" 1
1048 1 134 VAL HB 1 135 VAL H 0.000 . 3.500 2.373 2.145 2.551 . 0 0 "[ . 1]" 1
1049 1 134 VAL HB 1 135 VAL QG 0.000 . 6.300 3.209 2.941 3.300 . 0 0 "[ . 1]" 1
1050 1 134 VAL QG 1 135 VAL H 0.000 . 8.000 2.762 2.243 3.028 . 0 0 "[ . 1]" 1
1051 1 134 VAL QG 1 135 VAL HA 0.000 . 8.000 3.022 2.753 3.246 . 0 0 "[ . 1]" 1
1052 1 134 VAL QG 1 135 VAL QG 0.000 . 9.300 2.862 2.551 3.124 . 0 0 "[ . 1]" 1
1053 1 135 VAL H 1 136 GLY H 0.000 . 3.500 2.992 2.836 3.110 . 0 0 "[ . 1]" 1
1054 1 135 VAL HA 1 136 GLY H 0.000 . 5.000 3.567 3.558 3.579 . 0 0 "[ . 1]" 1
1055 1 135 VAL HA 1 138 VAL HB 0.000 . 5.000 3.790 2.888 5.091 0.091 1 0 "[ . 1]" 1
1056 1 135 VAL HA 1 138 VAL QG 0.000 . 6.300 3.253 2.100 3.925 . 0 0 "[ . 1]" 1
1057 1 135 VAL HB 1 136 GLY H 0.000 . 3.500 2.092 1.975 2.309 . 0 0 "[ . 1]" 1
1058 1 135 VAL QG 1 139 LEU QD 0.000 . 9.300 2.189 1.865 2.655 . 0 0 "[ . 1]" 1
1059 1 135 VAL QG 1 139 LEU HG 0.000 . 8.000 3.899 2.637 5.160 . 0 0 "[ . 1]" 1
1060 1 136 GLY H 1 137 GLU H 0.000 . 3.500 2.826 2.747 2.986 . 0 0 "[ . 1]" 1
1061 1 136 GLY H 1 138 VAL H 0.000 . 5.000 4.995 4.890 5.037 0.037 1 0 "[ . 1]" 1
1062 1 136 GLY H 1 139 LEU QD 0.000 . 6.500 4.009 3.595 4.320 . 0 0 "[ . 1]" 1
1063 1 136 GLY QA 1 137 GLU H 0.000 . 6.000 2.817 2.669 2.898 . 0 0 "[ . 1]" 1
1064 1 136 GLY QA 1 139 LEU H 0.000 . 6.000 3.527 3.433 3.714 . 0 0 "[ . 1]" 1
1065 1 136 GLY QA 1 139 LEU QB 0.000 . 4.900 2.392 2.143 2.690 . 0 0 "[ . 1]" 1
1066 1 136 GLY QA 1 139 LEU QD 0.000 . 7.300 2.526 2.172 2.910 . 0 0 "[ . 1]" 1
1067 1 137 GLU H 1 138 VAL H 0.000 . 3.500 2.896 2.752 3.062 . 0 0 "[ . 1]" 1
1068 1 137 GLU H 1 140 ALA MB 0.000 . 6.000 4.696 4.380 4.886 . 0 0 "[ . 1]" 1
1069 1 137 GLU HA 1 138 VAL H 0.000 . 5.000 3.584 3.578 3.592 . 0 0 "[ . 1]" 1
1070 1 137 GLU HA 1 140 ALA MB 0.000 . 4.400 2.752 2.272 3.024 . 0 0 "[ . 1]" 1
1071 1 137 GLU QB 1 138 VAL H 0.000 . 4.500 2.042 1.912 2.147 . 0 0 "[ . 1]" 1
1072 1 138 VAL H 1 139 LEU H 0.000 . 3.500 2.772 2.672 2.854 . 0 0 "[ . 1]" 1
1073 1 138 VAL HA 1 141 GLU QB 0.000 . 4.300 2.727 2.529 3.009 . 0 0 "[ . 1]" 1
1074 1 138 VAL HB 1 139 LEU H 0.000 . 3.500 3.139 2.719 3.622 0.122 1 0 "[ . 1]" 1
1075 1 138 VAL QG 1 139 LEU H 0.000 . 6.500 2.652 1.788 3.383 . 0 0 "[ . 1]" 1
1076 1 138 VAL QG 1 139 LEU HA 0.000 . 6.300 3.218 2.767 4.038 . 0 0 "[ . 1]" 1
1077 1 138 VAL QG 1 141 GLU H 0.000 . 8.000 4.355 4.217 4.515 . 0 0 "[ . 1]" 1
1078 1 138 VAL QG 1 142 VAL QG 0.000 . 11.000 3.864 2.770 4.921 . 0 0 "[ . 1]" 1
1079 1 138 VAL MG1 1 139 LEU QD 0.000 . 7.800 2.802 1.939 4.701 . 0 0 "[ . 1]" 1
1080 1 139 LEU H 1 140 ALA H 0.000 . 3.500 2.704 2.431 2.941 . 0 0 "[ . 1]" 1
1081 1 139 LEU HA 1 140 ALA H 0.000 . 5.000 3.558 3.542 3.575 . 0 0 "[ . 1]" 1
1082 1 139 LEU HA 1 141 GLU H 0.000 . 5.000 3.876 3.561 4.315 . 0 0 "[ . 1]" 1
1083 1 139 LEU HA 1 142 VAL H 0.000 . 5.000 4.241 3.703 4.791 . 0 0 "[ . 1]" 1
1084 1 139 LEU QB 1 140 ALA H 0.000 . 6.000 2.295 1.927 2.518 . 0 0 "[ . 1]" 1
1085 1 139 LEU HG 1 140 ALA H 0.000 . 5.000 4.507 3.960 4.973 . 0 0 "[ . 1]" 1
1086 1 140 ALA H 1 141 GLU H 0.000 . 3.500 2.744 2.541 2.931 . 0 0 "[ . 1]" 1
1087 1 140 ALA HA 1 141 GLU H 0.000 . 5.000 3.444 3.360 3.532 . 0 0 "[ . 1]" 1
1088 1 140 ALA MB 1 141 GLU H 0.000 . 5.000 2.826 2.444 3.064 . 0 0 "[ . 1]" 1
1089 1 141 GLU HA 1 142 VAL H 0.000 . 5.000 3.544 3.521 3.576 . 0 0 "[ . 1]" 1
1090 1 141 GLU QB 1 142 VAL H 0.000 . 4.500 1.848 1.668 2.191 . 0 0 "[ . 1]" 1
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