NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
456134 |
2kuc   |
16731 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kuc
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 2020
_Distance_constraint_stats_list.Viol_count 1281
_Distance_constraint_stats_list.Viol_total 1764.807
_Distance_constraint_stats_list.Viol_max 0.609
_Distance_constraint_stats_list.Viol_rms 0.0174
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0689
_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 5 GLN 0.043 0.041 7 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ASP 0.043 0.041 7 0 "[ . 1 . 2]"
1 8 GLY 1.059 0.143 19 0 "[ . 1 . 2]"
1 9 ILE 1.939 0.537 14 1 "[ . 1 +. 2]"
1 10 ALA 0.110 0.083 11 0 "[ . 1 . 2]"
1 11 PHE 1.926 0.108 1 0 "[ . 1 . 2]"
1 12 ARG 0.718 0.106 9 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 3.642 0.250 17 0 "[ . 1 . 2]"
1 15 SER 0.446 0.136 5 0 "[ . 1 . 2]"
1 16 PHE 2.090 0.179 7 0 "[ . 1 . 2]"
1 17 PRO 2.407 0.179 7 0 "[ . 1 . 2]"
1 18 GLU 5.240 0.433 13 0 "[ . 1 . 2]"
1 19 ALA 2.336 0.169 12 0 "[ . 1 . 2]"
1 20 LEU 1.885 0.133 14 0 "[ . 1 . 2]"
1 21 LYS 4.128 0.281 13 0 "[ . 1 . 2]"
1 22 ARG 5.259 0.351 7 0 "[ . 1 . 2]"
1 23 ALA 1.289 0.118 7 0 "[ . 1 . 2]"
1 24 GLU 0.155 0.054 20 0 "[ . 1 . 2]"
1 25 VAL 0.120 0.055 3 0 "[ . 1 . 2]"
1 26 GLU 0.373 0.177 20 0 "[ . 1 . 2]"
1 27 ASP 1.818 0.438 1 0 "[ . 1 . 2]"
1 28 LYS 3.733 0.438 1 0 "[ . 1 . 2]"
1 29 LEU 0.926 0.127 10 0 "[ . 1 . 2]"
1 30 LEU 1.036 0.098 2 0 "[ . 1 . 2]"
1 31 PHE 0.940 0.157 5 0 "[ . 1 . 2]"
1 32 VAL 0.012 0.012 9 0 "[ . 1 . 2]"
1 33 ASP 0.358 0.056 8 0 "[ . 1 . 2]"
1 34 CYS 0.180 0.045 7 0 "[ . 1 . 2]"
1 35 PHE 0.121 0.057 20 0 "[ . 1 . 2]"
1 36 THR 0.620 0.101 1 0 "[ . 1 . 2]"
1 37 THR 0.096 0.057 20 0 "[ . 1 . 2]"
1 38 TRP 2.198 0.183 1 0 "[ . 1 . 2]"
1 39 CYS 0.944 0.183 1 0 "[ . 1 . 2]"
1 40 GLY 0.387 0.093 7 0 "[ . 1 . 2]"
1 41 PRO 0.580 0.093 7 0 "[ . 1 . 2]"
1 42 CYS 0.314 0.078 6 0 "[ . 1 . 2]"
1 43 LYS 0.705 0.116 1 0 "[ . 1 . 2]"
1 44 ARG 3.526 0.609 17 1 "[ . 1 . + 2]"
1 45 LEU 0.993 0.214 17 0 "[ . 1 . 2]"
1 46 SER 0.375 0.071 14 0 "[ . 1 . 2]"
1 47 LYS 0.328 0.096 7 0 "[ . 1 . 2]"
1 48 VAL 2.501 0.301 12 0 "[ . 1 . 2]"
1 49 VAL 2.100 0.301 12 0 "[ . 1 . 2]"
1 50 PHE 0.757 0.100 11 0 "[ . 1 . 2]"
1 51 LYS 2.060 0.187 8 0 "[ . 1 . 2]"
1 52 ASP 1.550 0.183 13 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LEU 1.303 0.097 18 0 "[ . 1 . 2]"
1 55 VAL 1.298 0.230 13 0 "[ . 1 . 2]"
1 56 ALA 0.822 0.230 13 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 0.432 0.104 6 0 "[ . 1 . 2]"
1 59 PHE 1.247 0.085 6 0 "[ . 1 . 2]"
1 60 ASN 1.132 0.095 13 0 "[ . 1 . 2]"
1 61 ARG 0.876 0.208 14 0 "[ . 1 . 2]"
1 62 HIS 0.121 0.054 14 0 "[ . 1 . 2]"
1 63 PHE 1.740 0.291 10 0 "[ . 1 . 2]"
1 64 VAL 1.268 0.147 11 0 "[ . 1 . 2]"
1 65 ASN 0.381 0.108 1 0 "[ . 1 . 2]"
1 66 LEU 0.777 0.169 12 0 "[ . 1 . 2]"
1 67 LYS 0.149 0.057 11 0 "[ . 1 . 2]"
1 68 MET 0.295 0.067 18 0 "[ . 1 . 2]"
1 69 ASP 4.902 0.572 19 1 "[ . 1 . +2]"
1 70 MET 4.870 0.572 19 1 "[ . 1 . +2]"
1 71 GLU 1.402 0.299 5 0 "[ . 1 . 2]"
1 72 LYS 2.707 0.299 5 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 GLU 0.348 0.122 8 0 "[ . 1 . 2]"
1 75 GLY 0.673 0.083 13 0 "[ . 1 . 2]"
1 76 VAL 0.825 0.113 12 0 "[ . 1 . 2]"
1 77 GLU 0.354 0.122 8 0 "[ . 1 . 2]"
1 78 LEU 1.176 0.166 12 0 "[ . 1 . 2]"
1 79 ARG 1.025 0.152 19 0 "[ . 1 . 2]"
1 80 LYS 0.981 0.091 5 0 "[ . 1 . 2]"
1 81 LYS 2.921 0.145 1 0 "[ . 1 . 2]"
1 82 TYR 2.767 0.147 5 0 "[ . 1 . 2]"
1 83 GLY 0.763 0.070 12 0 "[ . 1 . 2]"
1 84 VAL 2.142 0.152 19 0 "[ . 1 . 2]"
1 85 HIS 0.140 0.034 13 0 "[ . 1 . 2]"
1 86 ALA 0.280 0.097 15 0 "[ . 1 . 2]"
1 87 TYR 3.285 0.224 13 0 "[ . 1 . 2]"
1 88 PRO 2.933 0.224 13 0 "[ . 1 . 2]"
1 89 THR 0.653 0.135 6 0 "[ . 1 . 2]"
1 90 LEU 0.673 0.157 5 0 "[ . 1 . 2]"
1 91 LEU 0.175 0.041 18 0 "[ . 1 . 2]"
1 92 PHE 0.560 0.073 18 0 "[ . 1 . 2]"
1 93 ILE 0.573 0.087 1 0 "[ . 1 . 2]"
1 94 ASN 2.279 0.270 9 0 "[ . 1 . 2]"
1 95 SER 0.621 0.270 9 0 "[ . 1 . 2]"
1 96 SER 0.922 0.168 16 0 "[ . 1 . 2]"
1 97 GLY 0.100 0.061 1 0 "[ . 1 . 2]"
1 98 GLU 0.613 0.094 10 0 "[ . 1 . 2]"
1 99 VAL 0.829 0.147 5 0 "[ . 1 . 2]"
1 100 VAL 0.231 0.058 17 0 "[ . 1 . 2]"
1 101 TYR 0.541 0.056 17 0 "[ . 1 . 2]"
1 102 ARG 1.452 0.143 18 0 "[ . 1 . 2]"
1 103 LEU 0.930 0.143 18 0 "[ . 1 . 2]"
1 104 VAL 0.512 0.135 6 0 "[ . 1 . 2]"
1 105 GLY 0.335 0.203 2 0 "[ . 1 . 2]"
1 106 ALA 1.674 0.214 17 0 "[ . 1 . 2]"
1 107 GLU 0.208 0.051 13 0 "[ . 1 . 2]"
1 108 ASP 0.475 0.105 8 0 "[ . 1 . 2]"
1 109 ALA 1.119 0.104 18 0 "[ . 1 . 2]"
1 110 PRO 1.479 0.104 20 0 "[ . 1 . 2]"
1 111 GLU 1.350 0.077 9 0 "[ . 1 . 2]"
1 112 LEU 2.136 0.173 7 0 "[ . 1 . 2]"
1 113 LEU 2.022 0.173 7 0 "[ . 1 . 2]"
1 114 LYS 0.226 0.199 18 0 "[ . 1 . 2]"
1 115 LYS 1.403 0.199 18 0 "[ . 1 . 2]"
1 116 VAL 1.665 0.537 11 3 "[ . 1+- .* 2]"
1 117 LYS 4.021 0.241 3 0 "[ . 1 . 2]"
1 118 LEU 0.396 0.114 10 0 "[ . 1 . 2]"
1 119 GLY 0.347 0.114 10 0 "[ . 1 . 2]"
1 120 VAL 0.435 0.107 19 0 "[ . 1 . 2]"
1 121 GLU 1.412 0.178 14 0 "[ . 1 . 2]"
1 122 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 ILE HA 1 9 ILE HG12 3.500 . 4.000 2.720 2.360 3.835 . 0 0 "[ . 1 . 2]" 1
2 1 9 ILE HA 1 9 ILE HG13 4.000 . 5.000 3.173 2.944 3.809 . 0 0 "[ . 1 . 2]" 1
3 1 9 ILE H 1 9 ILE HB 3.000 . 3.500 2.639 2.383 3.582 0.082 11 0 "[ . 1 . 2]" 1
4 1 9 ILE H 1 9 ILE MD 5.500 . 7.500 3.615 3.364 4.283 . 0 0 "[ . 1 . 2]" 1
5 1 9 ILE H 1 9 ILE HG12 4.000 . 5.000 3.221 1.822 4.565 . 0 0 "[ . 1 . 2]" 1
6 1 9 ILE H 1 9 ILE HG13 3.000 . 3.500 2.408 1.793 4.037 0.537 14 1 "[ . 1 +. 2]" 1
7 1 11 PHE HA 1 11 PHE QD 4.000 . 5.000 2.755 2.413 3.043 . 0 0 "[ . 1 . 2]" 1
8 1 11 PHE HA 1 11 PHE QE 5.500 . 7.500 4.538 4.408 4.697 . 0 0 "[ . 1 . 2]" 1
9 1 11 PHE H 1 11 PHE HB2 3.500 . 4.000 2.368 2.228 2.566 . 0 0 "[ . 1 . 2]" 1
10 1 11 PHE H 1 11 PHE HB3 3.000 . 3.500 3.576 3.519 3.605 0.105 12 0 "[ . 1 . 2]" 1
11 1 11 PHE H 1 11 PHE QD 4.000 . 5.000 2.663 2.337 3.165 . 0 0 "[ . 1 . 2]" 1
12 1 11 PHE H 1 11 PHE QE 5.500 . 7.500 4.608 4.212 5.092 . 0 0 "[ . 1 . 2]" 1
13 1 12 ARG HA 1 12 ARG HD2 4.500 . 5.500 4.504 2.366 5.535 0.035 12 0 "[ . 1 . 2]" 1
14 1 12 ARG HA 1 12 ARG HD3 4.500 . 5.500 4.552 2.029 5.524 0.024 11 0 "[ . 1 . 2]" 1
15 1 12 ARG QB 1 12 ARG HD3 3.000 . 3.500 2.774 2.344 3.451 . 0 0 "[ . 1 . 2]" 1
16 1 12 ARG HD2 1 12 ARG HG2 2.500 . 3.000 2.661 2.357 3.014 0.014 14 0 "[ . 1 . 2]" 1
17 1 12 ARG H 1 12 ARG HB2 3.500 . 4.000 2.865 2.431 3.727 . 0 0 "[ . 1 . 2]" 1
18 1 12 ARG H 1 12 ARG HB3 3.500 . 4.000 3.484 2.754 3.798 . 0 0 "[ . 1 . 2]" 1
19 1 12 ARG H 1 12 ARG HD2 5.000 . 7.000 4.344 2.933 5.245 . 0 0 "[ . 1 . 2]" 1
20 1 12 ARG H 1 12 ARG HD3 5.000 . 7.000 4.575 3.475 5.566 . 0 0 "[ . 1 . 2]" 1
21 1 12 ARG H 1 12 ARG HG2 3.500 . 4.000 3.008 1.849 3.914 . 0 0 "[ . 1 . 2]" 1
22 1 12 ARG H 1 12 ARG HG3 3.500 . 4.000 2.774 2.061 3.834 . 0 0 "[ . 1 . 2]" 1
23 1 14 LEU HA 1 14 LEU QD 4.000 . 5.000 2.187 1.836 3.377 . 0 0 "[ . 1 . 2]" 1
24 1 14 LEU H 1 14 LEU HB2 3.500 . 4.000 2.724 2.456 3.863 . 0 0 "[ . 1 . 2]" 1
25 1 14 LEU H 1 14 LEU HB3 3.000 . 3.500 3.585 2.945 3.750 0.250 17 0 "[ . 1 . 2]" 1
26 1 15 SER H 1 15 SER HA 2.500 . 3.000 2.851 2.784 2.912 . 0 0 "[ . 1 . 2]" 1
27 1 15 SER H 1 15 SER HB2 3.500 . 4.000 2.775 2.432 3.631 . 0 0 "[ . 1 . 2]" 1
28 1 15 SER H 1 15 SER HB3 3.500 . 4.000 3.297 2.508 3.620 . 0 0 "[ . 1 . 2]" 1
29 1 16 PHE HA 1 16 PHE QE 5.500 . 7.500 4.585 4.406 4.733 . 0 0 "[ . 1 . 2]" 1
30 1 16 PHE H 1 16 PHE HB2 3.500 . 4.000 2.467 2.230 2.535 . 0 0 "[ . 1 . 2]" 1
31 1 16 PHE H 1 16 PHE HB3 3.500 . 4.000 2.608 2.542 2.795 . 0 0 "[ . 1 . 2]" 1
32 1 17 PRO HA 1 17 PRO HG3 3.500 . 4.000 3.589 2.948 4.005 0.005 4 0 "[ . 1 . 2]" 1
33 1 17 PRO HB2 1 17 PRO HD2 4.000 . 5.000 3.648 2.948 4.058 . 0 0 "[ . 1 . 2]" 1
34 1 17 PRO HB2 1 17 PRO HD3 4.000 . 5.000 3.883 3.867 3.913 . 0 0 "[ . 1 . 2]" 1
35 1 17 PRO HB3 1 17 PRO HD2 4.000 . 5.000 3.909 3.871 3.970 . 0 0 "[ . 1 . 2]" 1
36 1 17 PRO HB3 1 17 PRO HD3 4.000 . 5.000 3.375 2.928 4.043 . 0 0 "[ . 1 . 2]" 1
37 1 17 PRO HD2 1 17 PRO HG2 3.000 . 3.500 2.309 2.292 2.323 . 0 0 "[ . 1 . 2]" 1
38 1 18 GLU H 1 18 GLU HB2 2.500 . 3.000 2.337 2.179 2.458 . 0 0 "[ . 1 . 2]" 1
39 1 18 GLU H 1 18 GLU HB3 3.000 . 3.500 3.414 2.538 3.580 0.080 19 0 "[ . 1 . 2]" 1
40 1 18 GLU H 1 18 GLU QG 3.000 . 3.500 2.686 2.157 3.933 0.433 13 0 "[ . 1 . 2]" 1
41 1 20 LEU H 1 20 LEU HB2 3.500 . 4.000 2.369 2.238 2.541 . 0 0 "[ . 1 . 2]" 1
42 1 20 LEU H 1 20 LEU HB3 3.500 . 4.000 2.786 2.537 3.612 . 0 0 "[ . 1 . 2]" 1
43 1 20 LEU H 1 20 LEU QD 4.500 . 5.500 3.532 2.895 3.681 . 0 0 "[ . 1 . 2]" 1
44 1 21 LYS H 1 21 LYS HB2 2.500 . 3.000 2.458 2.314 2.612 . 0 0 "[ . 1 . 2]" 1
45 1 21 LYS H 1 21 LYS HB3 2.500 . 3.000 2.510 2.336 2.659 . 0 0 "[ . 1 . 2]" 1
46 1 21 LYS H 1 21 LYS HD2 4.500 . 5.500 4.885 4.123 5.757 0.257 20 0 "[ . 1 . 2]" 1
47 1 21 LYS H 1 21 LYS HD3 4.500 . 5.500 4.880 4.365 5.781 0.281 13 0 "[ . 1 . 2]" 1
48 1 21 LYS H 1 21 LYS QG 4.000 . 5.000 3.980 3.896 4.039 . 0 0 "[ . 1 . 2]" 1
49 1 22 ARG HA 1 22 ARG HD2 3.500 . 4.000 2.978 1.890 4.077 0.077 11 0 "[ . 1 . 2]" 1
50 1 22 ARG HA 1 22 ARG HD3 3.000 . 3.500 2.491 1.782 3.569 0.069 19 0 "[ . 1 . 2]" 1
51 1 22 ARG HA 1 22 ARG HG2 4.000 . 5.000 3.267 2.145 3.911 . 0 0 "[ . 1 . 2]" 1
52 1 22 ARG HA 1 22 ARG HG3 4.000 . 5.000 3.421 2.413 3.763 . 0 0 "[ . 1 . 2]" 1
53 1 22 ARG HB3 1 22 ARG HD2 3.500 . 4.000 3.155 2.380 4.197 0.197 15 0 "[ . 1 . 2]" 1
54 1 22 ARG HB3 1 22 ARG HD3 3.500 . 4.000 3.328 2.702 3.818 . 0 0 "[ . 1 . 2]" 1
55 1 22 ARG QB 1 22 ARG HD3 3.000 . 3.500 2.842 2.348 3.521 0.021 2 0 "[ . 1 . 2]" 1
56 1 22 ARG HD2 1 22 ARG HG2 3.000 . 3.500 2.831 2.347 3.016 . 0 0 "[ . 1 . 2]" 1
57 1 22 ARG HD3 1 22 ARG HG3 3.000 . 3.500 2.832 2.343 3.018 . 0 0 "[ . 1 . 2]" 1
58 1 22 ARG H 1 22 ARG HB2 2.500 . 3.000 2.431 2.026 2.727 . 0 0 "[ . 1 . 2]" 1
59 1 22 ARG H 1 22 ARG HB3 3.000 . 3.500 3.117 2.249 3.588 0.088 4 0 "[ . 1 . 2]" 1
60 1 22 ARG H 1 22 ARG HD2 5.000 . 7.000 4.660 2.691 5.818 . 0 0 "[ . 1 . 2]" 1
61 1 22 ARG H 1 22 ARG HD3 5.000 . 7.000 4.133 2.733 4.883 . 0 0 "[ . 1 . 2]" 1
62 1 22 ARG H 1 22 ARG HG3 3.500 . 4.000 3.940 3.608 4.351 0.351 7 0 "[ . 1 . 2]" 1
63 1 24 GLU H 1 24 GLU QB 3.000 . 3.500 2.282 2.191 2.513 . 0 0 "[ . 1 . 2]" 1
64 1 24 GLU H 1 24 GLU HG2 4.000 . 5.000 3.945 2.305 4.588 . 0 0 "[ . 1 . 2]" 1
65 1 24 GLU H 1 24 GLU HG3 4.000 . 5.000 3.920 2.118 4.500 . 0 0 "[ . 1 . 2]" 1
66 1 25 VAL H 1 25 VAL HB 3.500 . 4.000 2.986 2.474 3.684 . 0 0 "[ . 1 . 2]" 1
67 1 25 VAL H 1 25 VAL MG1 4.500 . 5.500 3.123 2.081 3.801 . 0 0 "[ . 1 . 2]" 1
68 1 25 VAL H 1 25 VAL MG2 4.000 . 5.000 2.222 1.973 3.810 . 0 0 "[ . 1 . 2]" 1
69 1 26 GLU HA 1 26 GLU QG 3.000 . 3.500 2.596 2.270 3.330 . 0 0 "[ . 1 . 2]" 1
70 1 26 GLU H 1 26 GLU HB2 3.000 . 3.500 2.579 2.360 3.677 0.177 20 0 "[ . 1 . 2]" 1
71 1 26 GLU H 1 26 GLU HB3 3.500 . 4.000 3.192 2.521 3.705 . 0 0 "[ . 1 . 2]" 1
72 1 27 ASP H 1 27 ASP HB2 3.500 . 4.000 2.994 2.492 3.527 . 0 0 "[ . 1 . 2]" 1
73 1 27 ASP H 1 27 ASP HB3 4.000 . 5.000 3.560 2.781 4.131 . 0 0 "[ . 1 . 2]" 1
74 1 28 LYS HA 1 28 LYS HD2 5.000 . 7.000 4.389 2.034 5.551 . 0 0 "[ . 1 . 2]" 1
75 1 28 LYS HA 1 28 LYS HD3 5.000 . 7.000 4.304 2.010 4.922 . 0 0 "[ . 1 . 2]" 1
76 1 28 LYS HA 1 28 LYS HG2 4.000 . 5.000 3.051 2.454 3.733 . 0 0 "[ . 1 . 2]" 1
77 1 28 LYS HA 1 28 LYS HG3 4.000 . 5.000 3.016 2.404 3.815 . 0 0 "[ . 1 . 2]" 1
78 1 28 LYS HB3 1 28 LYS HD2 4.000 . 5.000 3.084 2.323 3.816 . 0 0 "[ . 1 . 2]" 1
79 1 28 LYS H 1 28 LYS HB2 3.500 . 4.000 3.096 2.556 3.956 . 0 0 "[ . 1 . 2]" 1
80 1 28 LYS H 1 28 LYS HB3 3.500 . 4.000 3.280 2.529 3.876 . 0 0 "[ . 1 . 2]" 1
81 1 28 LYS H 1 28 LYS HG2 4.000 . 5.000 4.100 2.335 4.967 . 0 0 "[ . 1 . 2]" 1
82 1 28 LYS H 1 28 LYS HG3 4.000 . 5.000 4.017 2.778 4.946 . 0 0 "[ . 1 . 2]" 1
83 1 29 LEU H 1 29 LEU HB2 3.500 . 4.000 2.644 2.280 3.629 . 0 0 "[ . 1 . 2]" 1
84 1 29 LEU H 1 29 LEU HB3 4.000 . 5.000 3.660 2.853 4.104 . 0 0 "[ . 1 . 2]" 1
85 1 29 LEU H 1 29 LEU HG 4.000 . 5.000 3.238 2.168 4.645 . 0 0 "[ . 1 . 2]" 1
86 1 30 LEU H 1 30 LEU HB2 3.500 . 4.000 2.619 2.319 2.985 . 0 0 "[ . 1 . 2]" 1
87 1 30 LEU H 1 30 LEU HB3 3.500 . 4.000 2.918 2.438 3.634 . 0 0 "[ . 1 . 2]" 1
88 1 30 LEU H 1 30 LEU HG 4.000 . 5.000 4.264 2.801 4.574 . 0 0 "[ . 1 . 2]" 1
89 1 31 PHE H 1 31 PHE HB2 4.000 . 5.000 2.925 2.771 3.191 . 0 0 "[ . 1 . 2]" 1
90 1 31 PHE H 1 31 PHE HB3 3.500 . 4.000 2.516 2.403 2.651 . 0 0 "[ . 1 . 2]" 1
91 1 32 VAL H 1 32 VAL HB 3.500 . 4.000 2.598 2.559 2.640 . 0 0 "[ . 1 . 2]" 1
92 1 32 VAL H 1 32 VAL MG1 4.500 . 5.500 3.828 3.807 3.855 . 0 0 "[ . 1 . 2]" 1
93 1 33 ASP H 1 33 ASP QB 3.000 . 3.500 2.297 2.226 2.395 . 0 0 "[ . 1 . 2]" 1
94 1 34 CYS H 1 34 CYS HB2 3.500 . 4.000 2.606 2.422 3.008 . 0 0 "[ . 1 . 2]" 1
95 1 34 CYS H 1 34 CYS HB3 4.000 . 5.000 3.605 2.505 3.780 . 0 0 "[ . 1 . 2]" 1
96 1 35 PHE H 1 35 PHE QD 4.500 . 5.500 2.387 2.151 2.973 . 0 0 "[ . 1 . 2]" 1
97 1 36 THR H 1 36 THR HB 4.000 . 5.000 2.932 2.441 3.671 . 0 0 "[ . 1 . 2]" 1
98 1 38 TRP HA 1 38 TRP HD1 4.000 . 5.000 3.705 2.390 4.700 . 0 0 "[ . 1 . 2]" 1
99 1 38 TRP HA 1 38 TRP HE3 5.000 . 7.000 3.645 2.080 5.064 . 0 0 "[ . 1 . 2]" 1
100 1 38 TRP HB2 1 38 TRP HD1 3.500 . 4.000 3.216 2.558 3.892 . 0 0 "[ . 1 . 2]" 1
101 1 38 TRP H 1 38 TRP HB2 4.000 . 5.000 2.447 2.178 2.807 . 0 0 "[ . 1 . 2]" 1
102 1 38 TRP H 1 38 TRP HD1 4.000 . 5.000 3.835 1.794 5.165 0.165 3 0 "[ . 1 . 2]" 1
103 1 39 CYS H 1 39 CYS HB3 4.000 . 5.000 3.458 2.463 4.098 . 0 0 "[ . 1 . 2]" 1
104 1 41 PRO HA 1 41 PRO HG2 4.000 . 5.000 3.927 3.878 4.014 . 0 0 "[ . 1 . 2]" 1
105 1 41 PRO HA 1 41 PRO HG3 3.500 . 4.000 3.296 2.918 3.952 . 0 0 "[ . 1 . 2]" 1
106 1 41 PRO HB2 1 41 PRO HD2 3.500 . 4.000 3.290 2.918 4.034 0.034 5 0 "[ . 1 . 2]" 1
107 1 41 PRO HB3 1 41 PRO HD2 4.000 . 5.000 3.906 3.868 3.928 . 0 0 "[ . 1 . 2]" 1
108 1 42 CYS H 1 42 CYS HB3 4.000 . 5.000 2.911 2.460 3.603 . 0 0 "[ . 1 . 2]" 1
109 1 43 LYS H 1 43 LYS HB2 3.000 . 3.500 2.632 2.343 3.616 0.116 1 0 "[ . 1 . 2]" 1
110 1 43 LYS H 1 43 LYS HB3 3.500 . 4.000 2.925 2.365 3.630 . 0 0 "[ . 1 . 2]" 1
111 1 43 LYS H 1 43 LYS QD 4.000 . 5.000 4.074 3.243 4.751 . 0 0 "[ . 1 . 2]" 1
112 1 43 LYS H 1 43 LYS QE 5.000 . 7.000 4.950 3.743 6.127 . 0 0 "[ . 1 . 2]" 1
113 1 43 LYS H 1 43 LYS HG2 4.000 . 5.000 3.742 2.174 4.687 . 0 0 "[ . 1 . 2]" 1
114 1 43 LYS H 1 43 LYS HG3 4.000 . 5.000 3.836 2.089 4.570 . 0 0 "[ . 1 . 2]" 1
115 1 44 ARG HA 1 44 ARG HD2 4.000 . 5.000 3.818 1.931 4.899 . 0 0 "[ . 1 . 2]" 1
116 1 44 ARG HA 1 44 ARG HD3 4.000 . 5.000 3.955 1.944 4.877 . 0 0 "[ . 1 . 2]" 1
117 1 44 ARG HB3 1 44 ARG HD2 3.000 . 3.500 3.036 2.287 4.109 0.609 17 1 "[ . 1 . + 2]" 1
118 1 44 ARG HB3 1 44 ARG HD3 3.000 . 3.500 3.148 2.279 3.689 0.189 6 0 "[ . 1 . 2]" 1
119 1 44 ARG HD2 1 44 ARG HG2 3.000 . 3.500 2.723 2.399 3.016 . 0 0 "[ . 1 . 2]" 1
120 1 44 ARG HD3 1 44 ARG HG2 3.000 . 3.500 2.542 2.353 3.009 . 0 0 "[ . 1 . 2]" 1
121 1 44 ARG H 1 44 ARG HB2 3.000 . 3.500 2.472 2.179 2.646 . 0 0 "[ . 1 . 2]" 1
122 1 44 ARG H 1 44 ARG HB3 3.000 . 3.500 2.976 2.416 3.587 0.087 15 0 "[ . 1 . 2]" 1
123 1 44 ARG H 1 44 ARG HG3 4.000 . 5.000 3.836 2.087 4.557 . 0 0 "[ . 1 . 2]" 1
124 1 45 LEU H 1 45 LEU HB2 3.500 . 4.000 2.513 2.269 3.631 . 0 0 "[ . 1 . 2]" 1
125 1 45 LEU H 1 45 LEU HB3 4.000 . 5.000 3.030 2.480 3.599 . 0 0 "[ . 1 . 2]" 1
126 1 45 LEU H 1 45 LEU HG 4.000 . 5.000 3.495 1.956 4.528 . 0 0 "[ . 1 . 2]" 1
127 1 46 SER H 1 46 SER HB2 3.000 . 3.500 2.530 2.334 2.670 . 0 0 "[ . 1 . 2]" 1
128 1 46 SER H 1 46 SER HB3 3.500 . 4.000 3.339 2.532 3.601 . 0 0 "[ . 1 . 2]" 1
129 1 47 LYS H 1 47 LYS QB 2.500 . 3.000 2.272 2.154 2.472 . 0 0 "[ . 1 . 2]" 1
130 1 47 LYS H 1 47 LYS QD 4.000 . 5.000 4.298 3.706 4.751 . 0 0 "[ . 1 . 2]" 1
131 1 47 LYS H 1 47 LYS HG2 4.000 . 5.000 4.183 2.596 4.635 . 0 0 "[ . 1 . 2]" 1
132 1 47 LYS H 1 47 LYS HG3 4.000 . 5.000 4.195 2.253 4.543 . 0 0 "[ . 1 . 2]" 1
133 1 48 VAL HA 1 48 VAL QG 3.000 . 3.500 2.190 2.121 2.342 . 0 0 "[ . 1 . 2]" 1
134 1 48 VAL H 1 48 VAL HB 3.000 . 3.500 2.957 2.497 3.660 0.160 17 0 "[ . 1 . 2]" 1
135 1 48 VAL H 1 48 VAL QG 3.500 . 4.000 2.152 1.782 2.550 0.018 8 0 "[ . 1 . 2]" 1
136 1 49 VAL H 1 49 VAL HB 3.500 . 4.000 2.740 2.479 3.698 . 0 0 "[ . 1 . 2]" 1
137 1 49 VAL H 1 49 VAL MG1 4.000 . 5.000 3.294 2.036 3.797 . 0 0 "[ . 1 . 2]" 1
138 1 49 VAL H 1 49 VAL MG2 4.500 . 5.500 2.357 1.864 3.833 . 0 0 "[ . 1 . 2]" 1
139 1 50 PHE HA 1 50 PHE QD 4.000 . 5.000 2.661 1.886 3.133 . 0 0 "[ . 1 . 2]" 1
140 1 50 PHE HA 1 50 PHE QE 5.500 . 7.500 4.507 4.233 4.677 . 0 0 "[ . 1 . 2]" 1
141 1 50 PHE H 1 50 PHE QB 3.000 . 3.500 2.365 2.303 2.506 . 0 0 "[ . 1 . 2]" 1
142 1 50 PHE H 1 50 PHE QD 4.500 . 5.500 2.569 1.916 3.555 . 0 0 "[ . 1 . 2]" 1
143 1 50 PHE H 1 50 PHE QE 5.500 . 7.500 4.582 4.263 5.096 . 0 0 "[ . 1 . 2]" 1
144 1 51 LYS HA 1 51 LYS HG2 3.500 . 4.000 3.120 2.441 4.178 0.178 8 0 "[ . 1 . 2]" 1
145 1 51 LYS HA 1 51 LYS HG3 3.500 . 4.000 2.853 2.534 3.740 . 0 0 "[ . 1 . 2]" 1
146 1 51 LYS H 1 51 LYS HB2 3.000 . 3.500 2.935 2.425 3.687 0.187 8 0 "[ . 1 . 2]" 1
147 1 51 LYS H 1 51 LYS HB3 3.500 . 4.000 2.792 2.403 3.797 . 0 0 "[ . 1 . 2]" 1
148 1 51 LYS H 1 51 LYS HG2 4.000 . 5.000 4.293 2.680 4.874 . 0 0 "[ . 1 . 2]" 1
149 1 51 LYS H 1 51 LYS HG3 4.000 . 5.000 4.482 1.938 5.017 0.017 7 0 "[ . 1 . 2]" 1
150 1 52 ASP H 1 52 ASP HB2 3.000 . 3.500 2.566 2.350 2.664 . 0 0 "[ . 1 . 2]" 1
151 1 52 ASP H 1 52 ASP HB3 3.000 . 3.500 2.587 2.458 2.756 . 0 0 "[ . 1 . 2]" 1
152 1 53 SER H 1 53 SER HB2 3.500 . 4.000 2.744 2.479 3.570 . 0 0 "[ . 1 . 2]" 1
153 1 54 LEU H 1 54 LEU HB2 3.000 . 3.500 2.480 2.230 3.589 0.089 12 0 "[ . 1 . 2]" 1
154 1 54 LEU H 1 54 LEU HB3 3.000 . 3.500 3.266 2.427 3.588 0.088 11 0 "[ . 1 . 2]" 1
155 1 54 LEU H 1 54 LEU HG 4.000 . 5.000 3.347 2.205 4.505 . 0 0 "[ . 1 . 2]" 1
156 1 55 VAL H 1 55 VAL HB 3.000 . 3.500 2.572 2.399 3.592 0.092 13 0 "[ . 1 . 2]" 1
157 1 55 VAL H 1 55 VAL MG1 4.000 . 5.000 3.611 1.980 3.787 . 0 0 "[ . 1 . 2]" 1
158 1 57 ASP H 1 57 ASP HB2 3.000 . 3.500 2.554 2.209 2.668 . 0 0 "[ . 1 . 2]" 1
159 1 57 ASP H 1 57 ASP HB3 3.500 . 4.000 2.546 2.415 3.511 . 0 0 "[ . 1 . 2]" 1
160 1 58 TYR HA 1 58 TYR QE 5.500 . 7.500 4.603 4.455 4.738 . 0 0 "[ . 1 . 2]" 1
161 1 58 TYR H 1 58 TYR HB2 3.000 . 3.500 2.454 2.282 2.613 . 0 0 "[ . 1 . 2]" 1
162 1 58 TYR H 1 58 TYR HB3 3.000 . 3.500 2.566 2.451 2.723 . 0 0 "[ . 1 . 2]" 1
163 1 58 TYR H 1 58 TYR QD 4.500 . 5.500 4.165 4.106 4.211 . 0 0 "[ . 1 . 2]" 1
164 1 59 PHE HA 1 59 PHE QE 5.500 . 7.500 4.465 4.182 4.568 . 0 0 "[ . 1 . 2]" 1
165 1 59 PHE H 1 59 PHE HB2 3.500 . 4.000 2.297 2.173 2.464 . 0 0 "[ . 1 . 2]" 1
166 1 59 PHE H 1 59 PHE HB3 3.000 . 3.500 3.454 2.559 3.579 0.079 6 0 "[ . 1 . 2]" 1
167 1 59 PHE H 1 59 PHE QD 4.000 . 5.000 2.797 2.187 4.157 . 0 0 "[ . 1 . 2]" 1
168 1 59 PHE H 1 59 PHE QE 5.500 . 7.500 4.825 4.477 6.187 . 0 0 "[ . 1 . 2]" 1
169 1 60 ASN HA 1 60 ASN HD22 5.000 . 7.000 4.170 3.449 4.715 . 0 0 "[ . 1 . 2]" 1
170 1 60 ASN HB2 1 60 ASN HD22 3.500 . 4.000 3.646 3.460 4.020 0.020 11 0 "[ . 1 . 2]" 1
171 1 60 ASN HB3 1 60 ASN HD22 3.500 . 4.000 3.810 3.468 4.068 0.068 6 0 "[ . 1 . 2]" 1
172 1 60 ASN H 1 60 ASN HB2 3.500 . 4.000 2.448 2.247 2.578 . 0 0 "[ . 1 . 2]" 1
173 1 60 ASN H 1 60 ASN HB3 3.000 . 3.500 2.916 2.486 3.595 0.095 13 0 "[ . 1 . 2]" 1
174 1 60 ASN H 1 60 ASN HD21 4.000 . 5.000 4.237 2.170 4.803 . 0 0 "[ . 1 . 2]" 1
175 1 60 ASN H 1 60 ASN HD22 5.000 . 7.000 5.257 3.764 5.867 . 0 0 "[ . 1 . 2]" 1
176 1 61 ARG HA 1 61 ARG HD2 4.000 . 5.000 3.857 1.966 4.735 . 0 0 "[ . 1 . 2]" 1
177 1 61 ARG HA 1 61 ARG HD3 4.000 . 5.000 3.908 1.943 4.969 . 0 0 "[ . 1 . 2]" 1
178 1 61 ARG HA 1 61 ARG HG2 3.500 . 4.000 3.116 2.327 3.780 . 0 0 "[ . 1 . 2]" 1
179 1 61 ARG HA 1 61 ARG HG3 3.500 . 4.000 2.920 2.296 3.752 . 0 0 "[ . 1 . 2]" 1
180 1 61 ARG HB2 1 61 ARG HD2 3.500 . 4.000 3.150 2.405 4.208 0.208 14 0 "[ . 1 . 2]" 1
181 1 61 ARG HB2 1 61 ARG HD3 3.500 . 4.000 3.366 2.420 4.194 0.194 2 0 "[ . 1 . 2]" 1
182 1 61 ARG HB2 1 61 ARG QD 3.500 . 4.000 2.780 2.336 3.459 . 0 0 "[ . 1 . 2]" 1
183 1 61 ARG HB3 1 61 ARG QD 3.500 . 4.000 2.728 2.323 3.534 . 0 0 "[ . 1 . 2]" 1
184 1 61 ARG HD2 1 61 ARG HG2 3.000 . 3.500 2.656 2.382 3.016 . 0 0 "[ . 1 . 2]" 1
185 1 61 ARG HD2 1 61 ARG HG3 3.000 . 3.500 2.680 2.361 3.016 . 0 0 "[ . 1 . 2]" 1
186 1 61 ARG HD3 1 61 ARG HG2 3.000 . 3.500 2.557 2.342 3.017 . 0 0 "[ . 1 . 2]" 1
187 1 61 ARG HD3 1 61 ARG HG3 3.000 . 3.500 2.658 2.381 3.017 . 0 0 "[ . 1 . 2]" 1
188 1 61 ARG H 1 61 ARG HB2 3.500 . 4.000 2.542 2.197 2.882 . 0 0 "[ . 1 . 2]" 1
189 1 61 ARG H 1 61 ARG HB3 3.500 . 4.000 2.976 2.350 3.650 . 0 0 "[ . 1 . 2]" 1
190 1 61 ARG H 1 61 ARG HG2 5.000 . 7.000 3.962 2.353 4.690 . 0 0 "[ . 1 . 2]" 1
191 1 61 ARG H 1 61 ARG HG3 4.000 . 5.000 4.078 2.444 4.575 . 0 0 "[ . 1 . 2]" 1
192 1 62 HIS HA 1 62 HIS HD2 5.000 . 7.000 3.783 3.030 4.222 . 0 0 "[ . 1 . 2]" 1
193 1 62 HIS HB2 1 62 HIS HD2 3.500 . 4.000 2.953 2.741 3.359 . 0 0 "[ . 1 . 2]" 1
194 1 62 HIS HB3 1 62 HIS HD2 4.000 . 5.000 3.935 3.830 3.978 . 0 0 "[ . 1 . 2]" 1
195 1 62 HIS H 1 62 HIS HB2 3.500 . 4.000 2.374 2.273 2.483 . 0 0 "[ . 1 . 2]" 1
196 1 62 HIS H 1 62 HIS HB3 3.500 . 4.000 3.612 3.552 3.672 . 0 0 "[ . 1 . 2]" 1
197 1 62 HIS H 1 62 HIS HD2 5.000 . 7.000 2.793 2.413 3.320 . 0 0 "[ . 1 . 2]" 1
198 1 63 PHE H 1 63 PHE HB2 4.000 . 5.000 2.827 2.583 3.891 . 0 0 "[ . 1 . 2]" 1
199 1 63 PHE H 1 63 PHE HB3 3.500 . 4.000 3.825 3.623 3.993 . 0 0 "[ . 1 . 2]" 1
200 1 64 VAL HA 1 64 VAL QG 3.000 . 3.500 2.157 2.108 2.351 . 0 0 "[ . 1 . 2]" 1
201 1 64 VAL H 1 64 VAL HB 3.500 . 4.000 2.724 2.491 3.688 . 0 0 "[ . 1 . 2]" 1
202 1 64 VAL H 1 64 VAL QG 4.000 . 5.000 2.250 1.807 2.690 . 0 0 "[ . 1 . 2]" 1
203 1 65 ASN HB2 1 65 ASN HD22 4.000 . 5.000 3.742 3.457 4.066 . 0 0 "[ . 1 . 2]" 1
204 1 65 ASN HB3 1 65 ASN HD22 4.000 . 5.000 3.881 3.471 4.077 . 0 0 "[ . 1 . 2]" 1
205 1 65 ASN H 1 65 ASN HB2 3.500 . 4.000 2.566 2.329 3.657 . 0 0 "[ . 1 . 2]" 1
206 1 65 ASN H 1 65 ASN HB3 3.500 . 4.000 3.551 2.872 3.658 . 0 0 "[ . 1 . 2]" 1
207 1 65 ASN H 1 65 ASN HD21 5.000 . 7.000 2.772 2.091 4.297 . 0 0 "[ . 1 . 2]" 1
208 1 65 ASN H 1 65 ASN HD22 4.000 . 5.000 3.802 3.056 4.345 . 0 0 "[ . 1 . 2]" 1
209 1 66 LEU HA 1 66 LEU HG 4.000 . 5.000 3.152 3.038 3.289 . 0 0 "[ . 1 . 2]" 1
210 1 66 LEU H 1 66 LEU HB2 3.500 . 4.000 3.021 2.781 3.428 . 0 0 "[ . 1 . 2]" 1
211 1 66 LEU H 1 66 LEU HB3 3.000 . 3.500 2.513 2.391 2.764 . 0 0 "[ . 1 . 2]" 1
212 1 67 LYS QB 1 67 LYS QE 3.500 . 4.000 2.864 1.833 3.665 . 0 0 "[ . 1 . 2]" 1
213 1 67 LYS QE 1 67 LYS QG 2.500 . 3.000 2.355 2.087 2.757 . 0 0 "[ . 1 . 2]" 1
214 1 67 LYS H 1 67 LYS QB 3.500 . 4.000 2.510 2.290 2.879 . 0 0 "[ . 1 . 2]" 1
215 1 67 LYS H 1 67 LYS QG 4.000 . 5.000 3.537 1.903 4.116 . 0 0 "[ . 1 . 2]" 1
216 1 68 MET HA 1 68 MET ME 4.500 . 5.500 3.878 2.970 4.511 . 0 0 "[ . 1 . 2]" 1
217 1 68 MET HA 1 68 MET QG 3.500 . 4.000 2.565 2.249 2.998 . 0 0 "[ . 1 . 2]" 1
218 1 68 MET HB2 1 68 MET ME 4.500 . 5.500 3.399 1.938 4.289 . 0 0 "[ . 1 . 2]" 1
219 1 68 MET HB3 1 68 MET ME 4.500 . 5.500 3.273 1.935 4.290 . 0 0 "[ . 1 . 2]" 1
220 1 68 MET H 1 68 MET HB2 4.000 . 5.000 2.887 2.583 3.334 . 0 0 "[ . 1 . 2]" 1
221 1 68 MET H 1 68 MET HB3 4.000 . 5.000 3.380 2.533 3.868 . 0 0 "[ . 1 . 2]" 1
222 1 68 MET H 1 68 MET QG 4.000 . 5.000 3.641 3.040 4.190 . 0 0 "[ . 1 . 2]" 1
223 1 69 ASP H 1 69 ASP HB2 3.000 . 3.500 2.480 2.224 3.393 . 0 0 "[ . 1 . 2]" 1
224 1 69 ASP H 1 69 ASP HB3 3.000 . 3.500 3.237 2.668 3.615 0.115 8 0 "[ . 1 . 2]" 1
225 1 70 MET HA 1 70 MET ME 4.500 . 5.500 4.020 2.951 4.501 . 0 0 "[ . 1 . 2]" 1
226 1 70 MET HB2 1 70 MET ME 4.500 . 5.500 3.429 2.044 4.293 . 0 0 "[ . 1 . 2]" 1
227 1 70 MET H 1 70 MET HB2 3.500 . 4.000 2.425 2.122 3.575 . 0 0 "[ . 1 . 2]" 1
228 1 70 MET H 1 70 MET HB3 3.500 . 4.000 3.383 2.556 3.678 . 0 0 "[ . 1 . 2]" 1
229 1 71 GLU HA 1 71 GLU HG2 3.500 . 4.000 3.133 2.434 3.797 . 0 0 "[ . 1 . 2]" 1
230 1 71 GLU HA 1 71 GLU HG3 3.500 . 4.000 3.029 2.248 3.871 . 0 0 "[ . 1 . 2]" 1
231 1 71 GLU H 1 71 GLU HB2 3.500 . 4.000 2.875 2.319 3.745 . 0 0 "[ . 1 . 2]" 1
232 1 71 GLU H 1 71 GLU HB3 3.500 . 4.000 3.245 2.538 3.842 . 0 0 "[ . 1 . 2]" 1
233 1 71 GLU H 1 71 GLU HG2 4.000 . 5.000 3.812 2.108 4.777 . 0 0 "[ . 1 . 2]" 1
234 1 71 GLU H 1 71 GLU HG3 4.000 . 5.000 3.695 2.576 4.703 . 0 0 "[ . 1 . 2]" 1
235 1 72 LYS HB2 1 72 LYS HE3 5.000 . 7.000 4.285 3.049 4.901 . 0 0 "[ . 1 . 2]" 1
236 1 72 LYS H 1 72 LYS HB2 3.500 . 4.000 2.861 2.497 3.617 . 0 0 "[ . 1 . 2]" 1
237 1 72 LYS H 1 72 LYS HB3 3.500 . 4.000 3.187 2.399 4.132 0.132 2 0 "[ . 1 . 2]" 1
238 1 72 LYS H 1 72 LYS QG 3.500 . 4.000 3.499 2.177 4.261 0.261 5 0 "[ . 1 . 2]" 1
239 1 76 VAL H 1 76 VAL HB 3.500 . 4.000 3.061 2.534 3.651 . 0 0 "[ . 1 . 2]" 1
240 1 76 VAL H 1 76 VAL MG1 4.000 . 5.000 2.065 1.835 2.297 . 0 0 "[ . 1 . 2]" 1
241 1 76 VAL H 1 76 VAL MG2 4.500 . 5.500 3.027 1.979 3.786 . 0 0 "[ . 1 . 2]" 1
242 1 77 GLU H 1 77 GLU HB3 3.500 . 4.000 3.012 2.416 3.623 . 0 0 "[ . 1 . 2]" 1
243 1 77 GLU H 1 77 GLU QG 4.000 . 5.000 3.390 2.222 4.067 . 0 0 "[ . 1 . 2]" 1
244 1 78 LEU H 1 78 LEU HB2 3.000 . 3.500 2.495 2.299 2.629 . 0 0 "[ . 1 . 2]" 1
245 1 78 LEU H 1 78 LEU HB3 3.500 . 4.000 3.589 3.532 3.615 . 0 0 "[ . 1 . 2]" 1
246 1 78 LEU H 1 78 LEU HG 3.000 . 3.500 2.546 2.048 3.666 0.166 12 0 "[ . 1 . 2]" 1
247 1 79 ARG HA 1 79 ARG QD 4.000 . 5.000 4.066 3.912 4.256 . 0 0 "[ . 1 . 2]" 1
248 1 79 ARG HA 1 79 ARG HG2 3.000 . 3.500 3.050 2.582 3.206 . 0 0 "[ . 1 . 2]" 1
249 1 79 ARG HA 1 79 ARG HG3 3.500 . 4.000 2.560 2.362 2.726 . 0 0 "[ . 1 . 2]" 1
250 1 79 ARG HB3 1 79 ARG QD 3.500 . 4.000 2.673 2.299 3.099 . 0 0 "[ . 1 . 2]" 1
251 1 79 ARG H 1 79 ARG HB2 2.500 . 3.000 2.417 2.212 2.631 . 0 0 "[ . 1 . 2]" 1
252 1 79 ARG H 1 79 ARG HB3 3.000 . 3.500 2.633 2.491 3.509 0.009 12 0 "[ . 1 . 2]" 1
253 1 79 ARG H 1 79 ARG HD2 5.000 . 7.000 5.297 4.563 5.935 . 0 0 "[ . 1 . 2]" 1
254 1 79 ARG H 1 79 ARG HG2 4.000 . 5.000 4.459 4.028 4.563 . 0 0 "[ . 1 . 2]" 1
255 1 79 ARG H 1 79 ARG HG3 4.000 . 5.000 4.315 2.803 4.522 . 0 0 "[ . 1 . 2]" 1
256 1 80 LYS H 1 80 LYS QB 2.500 . 3.000 2.291 2.174 2.706 . 0 0 "[ . 1 . 2]" 1
257 1 80 LYS H 1 80 LYS QD 4.000 . 5.000 4.141 2.280 4.740 . 0 0 "[ . 1 . 2]" 1
258 1 80 LYS H 1 80 LYS HG2 4.000 . 5.000 3.968 1.907 4.632 . 0 0 "[ . 1 . 2]" 1
259 1 80 LYS H 1 80 LYS HG3 4.000 . 5.000 4.147 2.812 4.544 . 0 0 "[ . 1 . 2]" 1
260 1 81 LYS HA 1 81 LYS HD2 4.000 . 5.000 4.029 2.077 4.715 . 0 0 "[ . 1 . 2]" 1
261 1 81 LYS HA 1 81 LYS HD3 4.000 . 5.000 3.965 1.925 4.767 . 0 0 "[ . 1 . 2]" 1
262 1 81 LYS HA 1 81 LYS HG3 3.500 . 4.000 2.769 2.434 3.692 . 0 0 "[ . 1 . 2]" 1
263 1 81 LYS HD2 1 81 LYS HG3 3.000 . 3.500 2.478 2.369 3.016 . 0 0 "[ . 1 . 2]" 1
264 1 81 LYS HD3 1 81 LYS HG3 3.000 . 3.500 2.877 2.404 3.020 . 0 0 "[ . 1 . 2]" 1
265 1 81 LYS HE2 1 81 LYS HG3 4.000 . 5.000 3.197 2.400 3.805 . 0 0 "[ . 1 . 2]" 1
266 1 81 LYS HE3 1 81 LYS HG3 4.000 . 5.000 3.190 2.404 3.795 . 0 0 "[ . 1 . 2]" 1
267 1 81 LYS H 1 81 LYS HB2 2.500 . 3.000 2.481 2.179 2.768 . 0 0 "[ . 1 . 2]" 1
268 1 81 LYS H 1 81 LYS HB3 3.000 . 3.500 2.666 2.292 3.562 0.062 3 0 "[ . 1 . 2]" 1
269 1 81 LYS H 1 81 LYS HG2 4.000 . 5.000 4.329 2.613 4.617 . 0 0 "[ . 1 . 2]" 1
270 1 81 LYS H 1 81 LYS HG3 5.000 . 7.000 4.193 2.530 4.517 . 0 0 "[ . 1 . 2]" 1
271 1 82 TYR HA 1 82 TYR QD 3.500 . 4.000 2.748 2.012 3.087 . 0 0 "[ . 1 . 2]" 1
272 1 82 TYR HA 1 82 TYR QE 4.500 . 5.500 4.557 4.344 4.693 . 0 0 "[ . 1 . 2]" 1
273 1 82 TYR H 1 82 TYR HB2 3.500 . 4.000 2.495 2.377 2.611 . 0 0 "[ . 1 . 2]" 1
274 1 82 TYR H 1 82 TYR HB3 3.500 . 4.000 3.670 3.610 3.759 . 0 0 "[ . 1 . 2]" 1
275 1 82 TYR H 1 82 TYR QD 4.500 . 5.500 2.686 2.265 3.393 . 0 0 "[ . 1 . 2]" 1
276 1 82 TYR H 1 82 TYR QE 5.500 . 7.500 4.578 4.421 4.898 . 0 0 "[ . 1 . 2]" 1
277 1 84 VAL H 1 84 VAL HB 3.000 . 3.500 2.945 2.486 3.638 0.138 12 0 "[ . 1 . 2]" 1
278 1 84 VAL H 1 84 VAL QG 3.500 . 4.000 2.029 1.801 2.560 . 0 0 "[ . 1 . 2]" 1
279 1 85 HIS HA 1 85 HIS HD2 4.000 . 5.000 3.324 2.225 4.529 . 0 0 "[ . 1 . 2]" 1
280 1 87 TYR HA 1 87 TYR QE 5.500 . 7.500 4.553 4.351 4.719 . 0 0 "[ . 1 . 2]" 1
281 1 87 TYR H 1 87 TYR HB2 3.500 . 4.000 2.559 2.440 2.652 . 0 0 "[ . 1 . 2]" 1
282 1 87 TYR H 1 87 TYR HB3 3.500 . 4.000 3.682 3.644 3.775 . 0 0 "[ . 1 . 2]" 1
283 1 87 TYR H 1 87 TYR QD 4.500 . 5.500 2.950 2.481 3.420 . 0 0 "[ . 1 . 2]" 1
284 1 87 TYR H 1 87 TYR QE 5.500 . 7.500 4.644 4.254 5.315 . 0 0 "[ . 1 . 2]" 1
285 1 89 THR H 1 89 THR HB 3.500 . 4.000 2.825 2.573 2.987 . 0 0 "[ . 1 . 2]" 1
286 1 89 THR H 1 89 THR HG1 4.000 . 5.000 2.914 2.113 4.062 . 0 0 "[ . 1 . 2]" 1
287 1 90 LEU HA 1 90 LEU HG 4.000 . 5.000 2.989 2.468 3.709 . 0 0 "[ . 1 . 2]" 1
288 1 90 LEU H 1 90 LEU HB2 3.500 . 4.000 2.501 2.388 2.656 . 0 0 "[ . 1 . 2]" 1
289 1 90 LEU H 1 90 LEU HB3 3.500 . 4.000 3.671 3.605 3.784 . 0 0 "[ . 1 . 2]" 1
290 1 90 LEU H 1 90 LEU QD 4.500 . 5.500 2.695 2.043 3.376 . 0 0 "[ . 1 . 2]" 1
291 1 91 LEU H 1 91 LEU HB2 3.000 . 3.500 2.587 2.274 3.008 . 0 0 "[ . 1 . 2]" 1
292 1 91 LEU H 1 91 LEU HB3 3.500 . 4.000 3.444 2.570 3.745 . 0 0 "[ . 1 . 2]" 1
293 1 92 PHE H 1 92 PHE HB2 3.500 . 4.000 2.594 2.489 2.697 . 0 0 "[ . 1 . 2]" 1
294 1 92 PHE H 1 92 PHE QD 4.500 . 5.500 2.727 2.354 3.137 . 0 0 "[ . 1 . 2]" 1
295 1 92 PHE H 1 92 PHE QE 5.500 . 7.500 4.611 4.382 4.798 . 0 0 "[ . 1 . 2]" 1
296 1 93 ILE HA 1 93 ILE HG12 4.000 . 5.000 2.857 2.454 3.572 . 0 0 "[ . 1 . 2]" 1
297 1 93 ILE HA 1 93 ILE HG13 4.000 . 5.000 3.164 2.283 3.788 . 0 0 "[ . 1 . 2]" 1
298 1 93 ILE H 1 93 ILE HB 3.000 . 3.500 2.676 2.482 3.141 . 0 0 "[ . 1 . 2]" 1
299 1 93 ILE H 1 93 ILE MD 5.500 . 7.500 3.916 2.885 4.788 . 0 0 "[ . 1 . 2]" 1
300 1 93 ILE H 1 93 ILE HG12 4.000 . 5.000 3.596 2.529 4.627 . 0 0 "[ . 1 . 2]" 1
301 1 94 ASN HB2 1 94 ASN HD22 4.000 . 5.000 3.634 3.455 4.053 . 0 0 "[ . 1 . 2]" 1
302 1 94 ASN HB3 1 94 ASN HD21 3.500 . 4.000 2.714 2.178 3.487 . 0 0 "[ . 1 . 2]" 1
303 1 94 ASN HB3 1 94 ASN HD22 4.000 . 5.000 3.690 3.458 4.049 . 0 0 "[ . 1 . 2]" 1
304 1 94 ASN H 1 94 ASN HB2 4.000 . 5.000 3.130 2.331 3.726 . 0 0 "[ . 1 . 2]" 1
305 1 94 ASN H 1 94 ASN HB3 4.000 . 5.000 3.066 2.432 3.652 . 0 0 "[ . 1 . 2]" 1
306 1 94 ASN H 1 94 ASN HD21 5.000 . 7.000 3.710 2.220 4.738 . 0 0 "[ . 1 . 2]" 1
307 1 94 ASN H 1 94 ASN HD22 5.000 . 7.000 4.245 3.066 5.776 . 0 0 "[ . 1 . 2]" 1
308 1 95 SER H 1 95 SER HB2 3.500 . 4.000 2.799 2.417 3.580 . 0 0 "[ . 1 . 2]" 1
309 1 95 SER H 1 95 SER HB3 3.500 . 4.000 3.242 2.450 3.590 . 0 0 "[ . 1 . 2]" 1
310 1 96 SER H 1 96 SER HB3 3.500 . 4.000 3.163 2.448 3.651 . 0 0 "[ . 1 . 2]" 1
311 1 98 GLU H 1 98 GLU QB 3.500 . 4.000 2.649 2.401 3.179 . 0 0 "[ . 1 . 2]" 1
312 1 98 GLU H 1 98 GLU QG 4.000 . 5.000 2.785 2.004 4.269 . 0 0 "[ . 1 . 2]" 1
313 1 99 VAL H 1 99 VAL HB 3.500 . 4.000 3.055 2.423 3.691 . 0 0 "[ . 1 . 2]" 1
314 1 99 VAL H 1 99 VAL MG1 4.000 . 5.000 2.914 1.903 4.028 . 0 0 "[ . 1 . 2]" 1
315 1 99 VAL H 1 99 VAL MG2 4.500 . 5.500 2.553 1.854 3.872 . 0 0 "[ . 1 . 2]" 1
316 1 100 VAL HA 1 100 VAL QG 3.000 . 3.500 2.226 2.126 2.375 . 0 0 "[ . 1 . 2]" 1
317 1 100 VAL H 1 100 VAL HB 3.500 . 4.000 2.914 2.519 3.719 . 0 0 "[ . 1 . 2]" 1
318 1 100 VAL H 1 100 VAL QG 3.500 . 4.000 2.080 1.851 2.464 . 0 0 "[ . 1 . 2]" 1
319 1 101 TYR HA 1 101 TYR QE 5.500 . 7.500 4.685 4.496 5.677 . 0 0 "[ . 1 . 2]" 1
320 1 101 TYR HB2 1 101 TYR QE 4.500 . 5.500 4.440 4.376 4.469 . 0 0 "[ . 1 . 2]" 1
321 1 101 TYR HB3 1 101 TYR QE 4.000 . 5.000 4.402 4.381 4.451 . 0 0 "[ . 1 . 2]" 1
322 1 101 TYR H 1 101 TYR HB2 4.000 . 5.000 3.388 3.033 4.029 . 0 0 "[ . 1 . 2]" 1
323 1 101 TYR H 1 101 TYR HB3 4.000 . 5.000 2.994 2.716 3.391 . 0 0 "[ . 1 . 2]" 1
324 1 102 ARG HA 1 102 ARG HD2 5.000 . 7.000 4.622 3.905 5.533 . 0 0 "[ . 1 . 2]" 1
325 1 102 ARG HA 1 102 ARG HD3 5.000 . 7.000 4.773 3.833 5.533 . 0 0 "[ . 1 . 2]" 1
326 1 102 ARG HA 1 102 ARG QG 3.500 . 4.000 2.818 2.333 3.473 . 0 0 "[ . 1 . 2]" 1
327 1 102 ARG QB 1 102 ARG HD2 3.500 . 4.000 2.568 2.286 3.294 . 0 0 "[ . 1 . 2]" 1
328 1 102 ARG QB 1 102 ARG HD3 3.000 . 3.500 2.819 2.240 3.459 . 0 0 "[ . 1 . 2]" 1
329 1 102 ARG H 1 102 ARG QB 3.500 . 4.000 2.624 2.305 3.111 . 0 0 "[ . 1 . 2]" 1
330 1 102 ARG H 1 102 ARG QG 4.000 . 5.000 2.934 2.073 4.037 . 0 0 "[ . 1 . 2]" 1
331 1 103 LEU HA 1 103 LEU QD 4.000 . 5.000 2.131 1.847 2.863 . 0 0 "[ . 1 . 2]" 1
332 1 103 LEU H 1 103 LEU HB2 3.500 . 4.000 2.944 2.246 3.328 . 0 0 "[ . 1 . 2]" 1
333 1 103 LEU H 1 103 LEU HB3 3.000 . 3.500 2.709 2.494 3.140 . 0 0 "[ . 1 . 2]" 1
334 1 104 VAL H 1 104 VAL HB 3.500 . 4.000 3.048 2.535 3.740 . 0 0 "[ . 1 . 2]" 1
335 1 104 VAL H 1 104 VAL MG2 4.500 . 5.500 2.328 1.894 3.780 . 0 0 "[ . 1 . 2]" 1
336 1 107 GLU H 1 107 GLU HB2 3.500 . 4.000 2.563 2.257 2.849 . 0 0 "[ . 1 . 2]" 1
337 1 107 GLU H 1 107 GLU HB3 3.500 . 4.000 3.687 3.530 3.837 . 0 0 "[ . 1 . 2]" 1
338 1 108 ASP H 1 108 ASP HB2 3.000 . 3.500 2.557 2.063 3.605 0.105 8 0 "[ . 1 . 2]" 1
339 1 108 ASP H 1 108 ASP HB3 3.500 . 4.000 3.250 2.665 3.617 . 0 0 "[ . 1 . 2]" 1
340 1 110 PRO HA 1 110 PRO HD3 4.000 . 5.000 3.739 3.414 3.823 . 0 0 "[ . 1 . 2]" 1
341 1 110 PRO HB3 1 110 PRO HD2 4.000 . 5.000 3.876 3.858 3.902 . 0 0 "[ . 1 . 2]" 1
342 1 110 PRO HB3 1 110 PRO HD3 4.000 . 5.000 3.888 2.931 4.063 . 0 0 "[ . 1 . 2]" 1
343 1 111 GLU H 1 111 GLU HB2 2.500 . 3.000 2.414 2.027 2.581 . 0 0 "[ . 1 . 2]" 1
344 1 111 GLU H 1 111 GLU HB3 3.000 . 3.500 3.235 2.430 3.577 0.077 9 0 "[ . 1 . 2]" 1
345 1 111 GLU H 1 111 GLU QG 3.500 . 4.000 2.920 2.001 4.038 0.038 10 0 "[ . 1 . 2]" 1
346 1 112 LEU H 1 112 LEU HB2 3.000 . 3.500 2.387 2.157 2.539 . 0 0 "[ . 1 . 2]" 1
347 1 112 LEU H 1 112 LEU HB3 2.500 . 3.000 2.627 2.478 2.922 . 0 0 "[ . 1 . 2]" 1
348 1 113 LEU H 1 113 LEU HB3 3.500 . 4.000 2.857 2.486 3.607 . 0 0 "[ . 1 . 2]" 1
349 1 114 LYS HA 1 114 LYS HG3 3.500 . 4.000 2.873 2.431 3.834 . 0 0 "[ . 1 . 2]" 1
350 1 114 LYS H 1 114 LYS QB 2.500 . 3.000 2.293 2.204 2.835 . 0 0 "[ . 1 . 2]" 1
351 1 114 LYS H 1 114 LYS HG2 4.000 . 5.000 4.052 1.773 4.604 0.027 18 0 "[ . 1 . 2]" 1
352 1 114 LYS H 1 114 LYS HG3 4.000 . 5.000 4.118 2.715 4.511 . 0 0 "[ . 1 . 2]" 1
353 1 115 LYS HA 1 115 LYS HD3 4.000 . 5.000 3.192 1.850 4.659 . 0 0 "[ . 1 . 2]" 1
354 1 115 LYS HA 1 115 LYS QE 4.000 . 5.000 3.725 2.587 4.924 . 0 0 "[ . 1 . 2]" 1
355 1 115 LYS HA 1 115 LYS HG2 3.000 . 3.500 2.976 2.260 3.695 0.195 10 0 "[ . 1 . 2]" 1
356 1 115 LYS H 1 115 LYS HB2 3.500 . 4.000 2.398 2.190 2.573 . 0 0 "[ . 1 . 2]" 1
357 1 115 LYS H 1 115 LYS HB3 3.500 . 4.000 3.372 2.562 3.606 . 0 0 "[ . 1 . 2]" 1
358 1 115 LYS H 1 115 LYS QE 5.000 . 7.000 4.882 3.084 6.051 . 0 0 "[ . 1 . 2]" 1
359 1 115 LYS H 1 115 LYS HG2 4.000 . 5.000 3.195 2.223 4.584 . 0 0 "[ . 1 . 2]" 1
360 1 116 VAL H 1 116 VAL HB 2.500 . 3.000 2.729 2.499 3.537 0.537 11 3 "[ . 1+- .* 2]" 1
361 1 116 VAL H 1 116 VAL MG1 4.000 . 5.000 2.910 1.946 3.782 . 0 0 "[ . 1 . 2]" 1
362 1 117 LYS HA 1 117 LYS QD 3.500 . 4.000 3.784 1.926 4.187 0.187 10 0 "[ . 1 . 2]" 1
363 1 117 LYS HA 1 117 LYS HG2 3.500 . 4.000 2.918 2.302 3.799 . 0 0 "[ . 1 . 2]" 1
364 1 117 LYS HA 1 117 LYS HG3 3.500 . 4.000 2.787 2.377 3.154 . 0 0 "[ . 1 . 2]" 1
365 1 117 LYS QB 1 117 LYS HE2 3.500 . 4.000 3.195 1.916 4.241 0.241 3 0 "[ . 1 . 2]" 1
366 1 117 LYS QB 1 117 LYS HE3 3.500 . 4.000 3.031 1.906 4.181 0.181 6 0 "[ . 1 . 2]" 1
367 1 117 LYS HE2 1 117 LYS HG2 3.500 . 4.000 3.281 2.230 3.755 . 0 0 "[ . 1 . 2]" 1
368 1 117 LYS HE2 1 117 LYS HG3 3.500 . 4.000 3.193 2.394 4.204 0.204 5 0 "[ . 1 . 2]" 1
369 1 117 LYS HE3 1 117 LYS HG2 3.500 . 4.000 3.378 2.369 4.196 0.196 12 0 "[ . 1 . 2]" 1
370 1 117 LYS HE3 1 117 LYS HG3 3.500 . 4.000 3.334 2.497 4.147 0.147 17 0 "[ . 1 . 2]" 1
371 1 117 LYS H 1 117 LYS HG2 4.000 . 5.000 4.140 3.446 4.634 . 0 0 "[ . 1 . 2]" 1
372 1 117 LYS H 1 117 LYS HG3 4.000 . 5.000 3.620 2.170 4.477 . 0 0 "[ . 1 . 2]" 1
373 1 118 LEU HA 1 118 LEU QD 4.000 . 5.000 2.062 1.807 3.411 . 0 0 "[ . 1 . 2]" 1
374 1 118 LEU H 1 118 LEU HB2 3.500 . 4.000 2.453 2.219 3.611 . 0 0 "[ . 1 . 2]" 1
375 1 118 LEU H 1 118 LEU HB3 3.500 . 4.000 3.011 2.461 3.610 . 0 0 "[ . 1 . 2]" 1
376 1 120 VAL H 1 120 VAL HB 3.500 . 4.000 2.916 2.479 3.707 . 0 0 "[ . 1 . 2]" 1
377 1 120 VAL H 1 120 VAL MG1 4.500 . 5.500 3.306 2.068 3.874 . 0 0 "[ . 1 . 2]" 1
378 1 120 VAL H 1 120 VAL MG2 4.000 . 5.000 2.288 1.952 3.860 . 0 0 "[ . 1 . 2]" 1
379 1 121 GLU HA 1 121 GLU HG2 3.000 . 3.500 3.067 2.431 3.678 0.178 14 0 "[ . 1 . 2]" 1
380 1 121 GLU H 1 121 GLU HB2 3.000 . 3.500 2.945 2.156 3.644 0.144 4 0 "[ . 1 . 2]" 1
381 1 121 GLU H 1 121 GLU HG3 4.000 . 5.000 3.832 2.499 5.003 0.003 6 0 "[ . 1 . 2]" 1
382 1 122 SER H 1 122 SER QB 3.500 . 4.000 2.692 2.243 3.409 . 0 0 "[ . 1 . 2]" 1
383 1 5 GLN HA 1 6 ALA H 5.000 . 7.000 2.619 2.106 3.556 . 0 0 "[ . 1 . 2]" 1
384 1 6 ALA HA 1 7 ASP H 4.000 . 5.000 2.557 2.141 3.548 . 0 0 "[ . 1 . 2]" 1
385 1 6 ALA MB 1 7 ASP H 5.500 . 7.500 3.356 2.376 3.695 . 0 0 "[ . 1 . 2]" 1
386 1 7 ASP HA 1 8 GLY H 3.500 . 4.000 2.925 2.115 3.553 . 0 0 "[ . 1 . 2]" 1
387 1 7 ASP HB2 1 8 GLY H 5.000 . 7.000 3.688 1.847 4.529 . 0 0 "[ . 1 . 2]" 1
388 1 7 ASP HB3 1 8 GLY H 5.000 . 7.000 3.608 2.328 4.430 . 0 0 "[ . 1 . 2]" 1
389 1 8 GLY HA2 1 9 ILE H 2.500 . 3.000 2.781 2.153 3.143 0.143 19 0 "[ . 1 . 2]" 1
390 1 8 GLY HA2 1 9 ILE HG13 5.000 . 7.000 4.388 3.539 6.491 . 0 0 "[ . 1 . 2]" 1
391 1 8 GLY HA3 1 9 ILE H 3.000 . 3.500 2.423 2.067 3.417 . 0 0 "[ . 1 . 2]" 1
392 1 8 GLY HA3 1 9 ILE HG13 5.000 . 7.000 4.516 3.489 6.303 . 0 0 "[ . 1 . 2]" 1
393 1 8 GLY H 1 9 ILE H 5.000 . 7.000 4.194 3.233 4.600 . 0 0 "[ . 1 . 2]" 1
394 1 9 ILE HA 1 10 ALA H 2.500 . 3.000 2.169 2.110 2.289 . 0 0 "[ . 1 . 2]" 1
395 1 9 ILE HA 1 10 ALA HA 5.000 . 7.000 4.374 4.267 4.407 . 0 0 "[ . 1 . 2]" 1
396 1 9 ILE HA 1 10 ALA MB 5.500 . 7.500 3.986 3.786 4.064 . 0 0 "[ . 1 . 2]" 1
397 1 9 ILE HB 1 10 ALA H 5.000 . 7.000 4.078 2.648 4.306 . 0 0 "[ . 1 . 2]" 1
398 1 9 ILE MD 1 10 ALA H 5.500 . 7.500 4.804 1.871 5.358 . 0 0 "[ . 1 . 2]" 1
399 1 9 ILE HG12 1 10 ALA H 5.000 . 7.000 4.514 4.014 5.031 . 0 0 "[ . 1 . 2]" 1
400 1 9 ILE HG13 1 10 ALA H 5.000 . 7.000 4.941 2.603 5.386 . 0 0 "[ . 1 . 2]" 1
401 1 9 ILE MG 1 10 ALA H 4.500 . 5.500 2.796 2.323 4.012 . 0 0 "[ . 1 . 2]" 1
402 1 9 ILE MG 1 10 ALA HA 5.500 . 7.500 3.964 3.503 5.466 . 0 0 "[ . 1 . 2]" 1
403 1 9 ILE MG 1 10 ALA MB 6.000 . 8.000 4.074 3.732 4.943 . 0 0 "[ . 1 . 2]" 1
404 1 9 ILE H 1 10 ALA H 5.000 . 7.000 4.504 4.328 4.633 . 0 0 "[ . 1 . 2]" 1
405 1 10 ALA HA 1 11 PHE H 2.500 . 3.000 2.188 2.123 2.322 . 0 0 "[ . 1 . 2]" 1
406 1 10 ALA HA 1 11 PHE QD 5.500 . 7.500 4.203 3.860 4.785 . 0 0 "[ . 1 . 2]" 1
407 1 10 ALA MB 1 11 PHE H 4.500 . 5.500 3.418 3.177 3.645 . 0 0 "[ . 1 . 2]" 1
408 1 10 ALA H 1 11 PHE H 5.000 . 7.000 4.178 3.922 4.432 . 0 0 "[ . 1 . 2]" 1
409 1 11 PHE HA 1 12 ARG H 2.500 . 3.000 2.186 2.115 2.318 . 0 0 "[ . 1 . 2]" 1
410 1 11 PHE HB2 1 12 ARG H 4.000 . 5.000 4.166 3.830 4.424 . 0 0 "[ . 1 . 2]" 1
411 1 11 PHE HB3 1 12 ARG H 4.000 . 5.000 3.148 2.576 3.784 . 0 0 "[ . 1 . 2]" 1
412 1 11 PHE QD 1 12 ARG H 5.500 . 7.500 3.807 3.309 4.408 . 0 0 "[ . 1 . 2]" 1
413 1 11 PHE H 1 12 ARG H 5.000 . 7.000 4.512 4.326 4.610 . 0 0 "[ . 1 . 2]" 1
414 1 13 GLU HA 1 14 LEU H 2.500 . 3.000 2.171 2.077 2.221 . 0 0 "[ . 1 . 2]" 1
415 1 13 GLU HA 1 14 LEU QD 5.500 . 7.500 4.302 2.917 5.022 . 0 0 "[ . 1 . 2]" 1
416 1 13 GLU HB2 1 14 LEU H 4.000 . 5.000 4.327 3.583 4.547 . 0 0 "[ . 1 . 2]" 1
417 1 13 GLU HB3 1 14 LEU H 4.000 . 5.000 4.126 3.459 4.448 . 0 0 "[ . 1 . 2]" 1
418 1 13 GLU QG 1 14 LEU H 4.000 . 5.000 4.132 3.161 4.902 . 0 0 "[ . 1 . 2]" 1
419 1 14 LEU HA 1 15 SER H 2.500 . 3.000 2.420 2.293 2.468 . 0 0 "[ . 1 . 2]" 1
420 1 14 LEU HB2 1 15 SER H 3.500 . 4.000 3.619 2.362 3.983 . 0 0 "[ . 1 . 2]" 1
421 1 14 LEU HB3 1 15 SER H 3.500 . 4.000 2.677 2.373 3.723 . 0 0 "[ . 1 . 2]" 1
422 1 14 LEU QD 1 15 SER H 4.500 . 5.500 3.207 2.379 3.688 . 0 0 "[ . 1 . 2]" 1
423 1 14 LEU H 1 15 SER H 4.000 . 5.000 4.427 4.383 4.494 . 0 0 "[ . 1 . 2]" 1
424 1 15 SER HA 1 16 PHE H 3.000 . 3.500 2.397 2.185 2.547 . 0 0 "[ . 1 . 2]" 1
425 1 15 SER HB2 1 16 PHE H 3.500 . 4.000 3.416 2.149 4.004 0.004 18 0 "[ . 1 . 2]" 1
426 1 15 SER HB3 1 16 PHE H 3.000 . 3.500 2.961 2.437 3.636 0.136 5 0 "[ . 1 . 2]" 1
427 1 15 SER H 1 16 PHE H 5.000 . 7.000 4.609 4.526 4.652 . 0 0 "[ . 1 . 2]" 1
428 1 16 PHE HB2 1 17 PRO HD2 3.500 . 4.000 3.841 3.562 4.107 0.107 7 0 "[ . 1 . 2]" 1
429 1 16 PHE HB2 1 17 PRO HD3 3.500 . 4.000 3.573 3.014 3.856 . 0 0 "[ . 1 . 2]" 1
430 1 16 PHE HB2 1 17 PRO HG2 5.000 . 7.000 5.925 5.664 6.032 . 0 0 "[ . 1 . 2]" 1
431 1 16 PHE HB2 1 17 PRO HG3 5.000 . 7.000 5.746 5.136 5.974 . 0 0 "[ . 1 . 2]" 1
432 1 16 PHE HB3 1 17 PRO HD2 4.000 . 5.000 2.703 2.481 3.177 . 0 0 "[ . 1 . 2]" 1
433 1 16 PHE HB3 1 17 PRO HD3 4.000 . 5.000 1.906 1.621 2.173 0.179 7 0 "[ . 1 . 2]" 1
434 1 16 PHE HB3 1 17 PRO HG2 5.000 . 7.000 4.519 4.297 4.693 . 0 0 "[ . 1 . 2]" 1
435 1 16 PHE HB3 1 17 PRO HG3 5.000 . 7.000 4.098 3.475 4.410 . 0 0 "[ . 1 . 2]" 1
436 1 16 PHE QD 1 17 PRO HA 5.500 . 7.500 3.581 3.166 4.283 . 0 0 "[ . 1 . 2]" 1
437 1 16 PHE QD 1 17 PRO HD2 5.500 . 7.500 4.141 3.895 4.686 . 0 0 "[ . 1 . 2]" 1
438 1 16 PHE QD 1 17 PRO HD3 5.500 . 7.500 2.780 2.517 3.392 . 0 0 "[ . 1 . 2]" 1
439 1 16 PHE QD 1 17 PRO HG2 5.500 . 7.500 5.189 4.722 5.786 . 0 0 "[ . 1 . 2]" 1
440 1 16 PHE QD 1 17 PRO HG3 5.500 . 7.500 4.303 3.349 5.264 . 0 0 "[ . 1 . 2]" 1
441 1 16 PHE QE 1 17 PRO HA 5.500 . 7.500 4.837 4.560 5.471 . 0 0 "[ . 1 . 2]" 1
442 1 16 PHE H 1 17 PRO HG2 5.000 . 7.000 4.512 4.076 4.928 . 0 0 "[ . 1 . 2]" 1
443 1 17 PRO HA 1 18 GLU H 3.000 . 3.500 3.544 3.520 3.565 0.065 6 0 "[ . 1 . 2]" 1
444 1 17 PRO HB2 1 18 GLU H 3.500 . 4.000 2.831 2.248 3.241 . 0 0 "[ . 1 . 2]" 1
445 1 18 GLU HA 1 19 ALA H 4.000 . 5.000 3.548 3.502 3.579 . 0 0 "[ . 1 . 2]" 1
446 1 18 GLU HB2 1 19 ALA H 3.000 . 3.500 2.635 2.292 3.556 0.056 13 0 "[ . 1 . 2]" 1
447 1 18 GLU HB2 1 19 ALA HA 5.000 . 7.000 4.516 4.133 5.492 . 0 0 "[ . 1 . 2]" 1
448 1 18 GLU HB2 1 19 ALA MB 5.500 . 7.500 4.065 3.695 5.035 . 0 0 "[ . 1 . 2]" 1
449 1 18 GLU HB3 1 19 ALA H 3.500 . 4.000 3.154 2.157 3.486 . 0 0 "[ . 1 . 2]" 1
450 1 18 GLU HB3 1 19 ALA HA 3.500 . 4.000 4.073 3.893 4.144 0.144 17 0 "[ . 1 . 2]" 1
451 1 18 GLU HB3 1 19 ALA MB 5.500 . 7.500 4.310 3.585 4.576 . 0 0 "[ . 1 . 2]" 1
452 1 18 GLU QG 1 19 ALA H 4.000 . 5.000 4.028 3.414 4.591 . 0 0 "[ . 1 . 2]" 1
453 1 18 GLU H 1 19 ALA H 3.000 . 3.500 2.742 2.606 2.836 . 0 0 "[ . 1 . 2]" 1
454 1 19 ALA HA 1 20 LEU H 4.000 . 5.000 3.528 3.501 3.565 . 0 0 "[ . 1 . 2]" 1
455 1 19 ALA H 1 20 LEU H 3.000 . 3.500 2.678 2.526 2.814 . 0 0 "[ . 1 . 2]" 1
456 1 20 LEU HA 1 21 LYS H 4.000 . 5.000 3.533 3.502 3.563 . 0 0 "[ . 1 . 2]" 1
457 1 20 LEU HB2 1 21 LYS H 3.000 . 3.500 3.426 2.363 3.633 0.133 14 0 "[ . 1 . 2]" 1
458 1 20 LEU HB3 1 21 LYS H 3.000 . 3.500 2.501 2.209 3.518 0.018 1 0 "[ . 1 . 2]" 1
459 1 20 LEU QD 1 21 LYS H 5.000 . 7.000 3.834 3.376 4.066 . 0 0 "[ . 1 . 2]" 1
460 1 20 LEU H 1 21 LYS H 3.000 . 3.500 2.703 2.550 2.849 . 0 0 "[ . 1 . 2]" 1
461 1 20 LEU H 1 21 LYS HB3 4.000 . 5.000 4.791 4.619 5.015 0.015 3 0 "[ . 1 . 2]" 1
462 1 21 LYS HA 1 22 ARG H 4.000 . 5.000 3.546 3.526 3.567 . 0 0 "[ . 1 . 2]" 1
463 1 21 LYS QG 1 22 ARG H 3.000 . 3.500 3.535 3.383 3.600 0.100 12 0 "[ . 1 . 2]" 1
464 1 21 LYS H 1 22 ARG H 3.000 . 3.500 2.759 2.642 2.872 . 0 0 "[ . 1 . 2]" 1
465 1 22 ARG HA 1 23 ALA H 4.000 . 5.000 3.541 3.510 3.565 . 0 0 "[ . 1 . 2]" 1
466 1 22 ARG HB2 1 23 ALA H 3.500 . 4.000 3.135 2.481 3.999 . 0 0 "[ . 1 . 2]" 1
467 1 22 ARG HB3 1 23 ALA H 3.500 . 4.000 3.154 2.355 3.706 . 0 0 "[ . 1 . 2]" 1
468 1 22 ARG HG3 1 23 ALA H 4.000 . 5.000 4.470 3.104 5.067 0.067 17 0 "[ . 1 . 2]" 1
469 1 22 ARG H 1 23 ALA H 3.000 . 3.500 2.716 2.602 2.830 . 0 0 "[ . 1 . 2]" 1
470 1 23 ALA HA 1 24 GLU H 3.500 . 4.000 3.524 3.473 3.571 . 0 0 "[ . 1 . 2]" 1
471 1 23 ALA MB 1 24 GLU H 4.500 . 5.500 2.557 2.294 2.757 . 0 0 "[ . 1 . 2]" 1
472 1 23 ALA H 1 24 GLU H 3.000 . 3.500 2.676 2.498 2.791 . 0 0 "[ . 1 . 2]" 1
473 1 24 GLU HA 1 25 VAL H 3.500 . 4.000 3.542 3.510 3.572 . 0 0 "[ . 1 . 2]" 1
474 1 24 GLU QB 1 25 VAL H 3.000 . 3.500 2.588 2.436 2.748 . 0 0 "[ . 1 . 2]" 1
475 1 24 GLU QB 1 25 VAL HA 5.000 . 7.000 4.032 3.682 4.275 . 0 0 "[ . 1 . 2]" 1
476 1 24 GLU HG2 1 25 VAL H 4.000 . 5.000 4.279 3.479 4.988 . 0 0 "[ . 1 . 2]" 1
477 1 24 GLU HG3 1 25 VAL H 4.000 . 5.000 4.503 3.600 5.033 0.033 9 0 "[ . 1 . 2]" 1
478 1 24 GLU H 1 25 VAL H 3.500 . 4.000 2.693 2.556 2.807 . 0 0 "[ . 1 . 2]" 1
479 1 24 GLU H 1 25 VAL MG1 5.500 . 7.500 5.200 4.041 6.082 . 0 0 "[ . 1 . 2]" 1
480 1 24 GLU H 1 25 VAL MG2 5.500 . 7.500 4.112 3.836 6.033 . 0 0 "[ . 1 . 2]" 1
481 1 25 VAL HA 1 26 GLU H 3.500 . 4.000 3.545 3.464 3.608 . 0 0 "[ . 1 . 2]" 1
482 1 25 VAL HB 1 26 GLU H 4.000 . 5.000 3.144 2.316 4.051 . 0 0 "[ . 1 . 2]" 1
483 1 25 VAL MG1 1 26 GLU H 5.500 . 7.500 3.569 2.291 4.062 . 0 0 "[ . 1 . 2]" 1
484 1 25 VAL MG1 1 26 GLU QG 5.500 . 7.500 4.363 2.322 6.772 . 0 0 "[ . 1 . 2]" 1
485 1 25 VAL MG2 1 26 GLU H 5.500 . 7.500 3.210 2.180 3.846 . 0 0 "[ . 1 . 2]" 1
486 1 25 VAL H 1 26 GLU H 3.500 . 4.000 2.537 2.438 2.706 . 0 0 "[ . 1 . 2]" 1
487 1 26 GLU HA 1 27 ASP H 3.500 . 4.000 3.440 3.279 3.536 . 0 0 "[ . 1 . 2]" 1
488 1 26 GLU HB2 1 27 ASP H 4.000 . 5.000 3.499 2.903 4.247 . 0 0 "[ . 1 . 2]" 1
489 1 26 GLU HB3 1 27 ASP H 5.000 . 7.000 3.593 2.702 4.475 . 0 0 "[ . 1 . 2]" 1
490 1 26 GLU H 1 27 ASP H 3.000 . 3.500 2.312 2.142 2.531 . 0 0 "[ . 1 . 2]" 1
491 1 26 GLU H 1 27 ASP HA 4.000 . 5.000 4.752 4.352 5.048 0.048 10 0 "[ . 1 . 2]" 1
492 1 27 ASP HA 1 28 LYS H 2.500 . 3.000 2.827 2.191 3.438 0.438 1 0 "[ . 1 . 2]" 1
493 1 27 ASP HB2 1 28 LYS H 4.000 . 5.000 3.683 2.099 4.653 . 0 0 "[ . 1 . 2]" 1
494 1 27 ASP HB3 1 28 LYS H 5.000 . 7.000 3.083 1.675 4.476 0.125 20 0 "[ . 1 . 2]" 1
495 1 27 ASP H 1 28 LYS H 4.000 . 5.000 3.383 2.567 4.295 . 0 0 "[ . 1 . 2]" 1
496 1 28 LYS HA 1 29 LEU H 3.000 . 3.500 2.842 2.142 3.566 0.066 7 0 "[ . 1 . 2]" 1
497 1 28 LYS HB3 1 29 LEU H 4.000 . 5.000 2.913 1.769 4.199 0.031 3 0 "[ . 1 . 2]" 1
498 1 28 LYS HG2 1 29 LEU H 4.000 . 5.000 3.510 1.916 4.926 . 0 0 "[ . 1 . 2]" 1
499 1 29 LEU HA 1 30 LEU H 3.000 . 3.500 2.296 2.090 2.668 . 0 0 "[ . 1 . 2]" 1
500 1 29 LEU HA 1 30 LEU HB2 5.000 . 7.000 4.406 4.013 4.594 . 0 0 "[ . 1 . 2]" 1
501 1 29 LEU HA 1 30 LEU HB3 5.000 . 7.000 5.030 4.537 5.737 . 0 0 "[ . 1 . 2]" 1
502 1 29 LEU HB2 1 30 LEU H 4.000 . 5.000 3.858 3.473 4.359 . 0 0 "[ . 1 . 2]" 1
503 1 29 LEU HB3 1 30 LEU H 3.500 . 4.000 2.733 1.944 3.557 . 0 0 "[ . 1 . 2]" 1
504 1 29 LEU QD 1 30 LEU H 5.500 . 7.500 3.368 2.420 4.002 . 0 0 "[ . 1 . 2]" 1
505 1 29 LEU HG 1 30 LEU H 4.000 . 5.000 4.477 1.868 5.051 0.051 11 0 "[ . 1 . 2]" 1
506 1 30 LEU HA 1 31 PHE H 3.000 . 3.500 2.145 2.108 2.189 . 0 0 "[ . 1 . 2]" 1
507 1 30 LEU HB2 1 31 PHE H 5.000 . 7.000 4.357 4.149 4.534 . 0 0 "[ . 1 . 2]" 1
508 1 30 LEU HB3 1 31 PHE H 5.000 . 7.000 3.973 3.006 4.422 . 0 0 "[ . 1 . 2]" 1
509 1 30 LEU QD 1 31 PHE H 4.500 . 5.500 2.997 2.325 4.353 . 0 0 "[ . 1 . 2]" 1
510 1 30 LEU QD 1 31 PHE HA 5.500 . 7.500 4.667 3.888 5.388 . 0 0 "[ . 1 . 2]" 1
511 1 30 LEU HG 1 31 PHE H 5.000 . 7.000 4.002 3.054 5.416 . 0 0 "[ . 1 . 2]" 1
512 1 31 PHE HA 1 32 VAL H 2.500 . 3.000 2.152 2.128 2.188 . 0 0 "[ . 1 . 2]" 1
513 1 31 PHE HB2 1 32 VAL H 4.000 . 5.000 4.413 4.318 4.473 . 0 0 "[ . 1 . 2]" 1
514 1 31 PHE HB3 1 32 VAL H 5.000 . 7.000 4.400 4.313 4.471 . 0 0 "[ . 1 . 2]" 1
515 1 31 PHE QD 1 32 VAL H 4.500 . 5.500 3.807 3.386 4.132 . 0 0 "[ . 1 . 2]" 1
516 1 31 PHE QE 1 32 VAL H 5.500 . 7.500 4.990 4.616 5.285 . 0 0 "[ . 1 . 2]" 1
517 1 31 PHE H 1 32 VAL H 5.000 . 7.000 4.209 4.092 4.323 . 0 0 "[ . 1 . 2]" 1
518 1 32 VAL HA 1 33 ASP H 3.000 . 3.500 2.125 2.084 2.171 . 0 0 "[ . 1 . 2]" 1
519 1 32 VAL HB 1 33 ASP H 5.000 . 7.000 4.267 4.096 4.376 . 0 0 "[ . 1 . 2]" 1
520 1 32 VAL MG1 1 33 ASP H 5.500 . 7.500 2.960 2.617 3.252 . 0 0 "[ . 1 . 2]" 1
521 1 32 VAL MG1 1 33 ASP HA 5.500 . 7.500 3.946 3.709 4.157 . 0 0 "[ . 1 . 2]" 1
522 1 32 VAL MG2 1 33 ASP H 5.500 . 7.500 4.156 4.021 4.253 . 0 0 "[ . 1 . 2]" 1
523 1 32 VAL MG2 1 33 ASP HA 5.500 . 7.500 5.631 5.541 5.696 . 0 0 "[ . 1 . 2]" 1
524 1 32 VAL H 1 33 ASP H 5.000 . 7.000 4.311 4.198 4.434 . 0 0 "[ . 1 . 2]" 1
525 1 33 ASP HA 1 34 CYS H 3.000 . 3.500 2.148 2.123 2.180 . 0 0 "[ . 1 . 2]" 1
526 1 33 ASP QB 1 34 CYS H 4.000 . 5.000 3.906 3.720 3.983 . 0 0 "[ . 1 . 2]" 1
527 1 34 CYS HA 1 35 PHE H 3.000 . 3.500 2.134 2.096 2.224 . 0 0 "[ . 1 . 2]" 1
528 1 34 CYS HA 1 35 PHE QD 5.500 . 7.500 3.434 3.220 3.609 . 0 0 "[ . 1 . 2]" 1
529 1 34 CYS HB2 1 35 PHE H 4.000 . 5.000 4.322 4.001 4.384 . 0 0 "[ . 1 . 2]" 1
530 1 34 CYS HB3 1 35 PHE H 4.000 . 5.000 3.615 2.929 4.344 . 0 0 "[ . 1 . 2]" 1
531 1 35 PHE HA 1 36 THR H 3.000 . 3.500 2.306 2.206 2.402 . 0 0 "[ . 1 . 2]" 1
532 1 35 PHE QB 1 36 THR H 3.000 . 3.500 2.621 2.392 2.816 . 0 0 "[ . 1 . 2]" 1
533 1 35 PHE QD 1 36 THR HA 5.500 . 7.500 4.169 3.716 4.398 . 0 0 "[ . 1 . 2]" 1
534 1 36 THR HA 1 37 THR H 3.500 . 4.000 2.361 2.262 2.555 . 0 0 "[ . 1 . 2]" 1
535 1 36 THR HB 1 37 THR H 4.000 . 5.000 3.363 2.224 3.933 . 0 0 "[ . 1 . 2]" 1
536 1 36 THR MG 1 37 THR H 5.500 . 7.500 2.581 1.775 3.688 0.025 16 0 "[ . 1 . 2]" 1
537 1 37 THR HA 1 38 TRP H 4.000 . 5.000 3.312 3.029 3.560 . 0 0 "[ . 1 . 2]" 1
538 1 37 THR HB 1 38 TRP H 5.000 . 7.000 3.730 2.454 4.396 . 0 0 "[ . 1 . 2]" 1
539 1 37 THR MG 1 38 TRP H 5.500 . 7.500 3.921 2.706 4.398 . 0 0 "[ . 1 . 2]" 1
540 1 37 THR H 1 38 TRP H 5.000 . 7.000 2.730 2.430 3.011 . 0 0 "[ . 1 . 2]" 1
541 1 38 TRP HE3 1 39 CYS HA 5.000 . 7.000 6.648 4.769 7.183 0.183 1 0 "[ . 1 . 2]" 1
542 1 38 TRP H 1 39 CYS H 4.000 . 5.000 3.927 2.515 4.626 . 0 0 "[ . 1 . 2]" 1
543 1 39 CYS HB2 1 40 GLY HA2 5.000 . 7.000 4.876 4.003 5.854 . 0 0 "[ . 1 . 2]" 1
544 1 40 GLY HA2 1 41 PRO HD2 3.500 . 4.000 3.577 2.498 4.093 0.093 7 0 "[ . 1 . 2]" 1
545 1 40 GLY HA2 1 41 PRO HD3 4.000 . 5.000 3.352 2.312 4.245 . 0 0 "[ . 1 . 2]" 1
546 1 40 GLY HA2 1 41 PRO HG3 5.000 . 7.000 5.337 4.466 6.104 . 0 0 "[ . 1 . 2]" 1
547 1 40 GLY HA3 1 41 PRO HD2 4.000 . 5.000 2.822 1.827 4.343 . 0 0 "[ . 1 . 2]" 1
548 1 40 GLY HA3 1 41 PRO HD3 5.000 . 7.000 2.601 1.898 3.799 . 0 0 "[ . 1 . 2]" 1
549 1 40 GLY HA3 1 41 PRO HG3 5.000 . 7.000 4.619 4.101 5.639 . 0 0 "[ . 1 . 2]" 1
550 1 41 PRO HA 1 42 CYS H 5.000 . 7.000 3.537 3.479 3.573 . 0 0 "[ . 1 . 2]" 1
551 1 42 CYS HA 1 43 LYS H 3.500 . 4.000 3.511 3.446 3.586 . 0 0 "[ . 1 . 2]" 1
552 1 42 CYS HB2 1 43 LYS H 4.000 . 5.000 3.520 2.260 4.048 . 0 0 "[ . 1 . 2]" 1
553 1 42 CYS HB3 1 43 LYS H 5.000 . 7.000 3.503 2.439 4.305 . 0 0 "[ . 1 . 2]" 1
554 1 42 CYS H 1 43 LYS H 5.000 . 7.000 2.672 2.326 2.892 . 0 0 "[ . 1 . 2]" 1
555 1 43 LYS HA 1 44 ARG H 3.500 . 4.000 3.511 3.456 3.561 . 0 0 "[ . 1 . 2]" 1
556 1 43 LYS HB2 1 44 ARG H 3.500 . 4.000 3.480 2.310 4.066 0.066 1 0 "[ . 1 . 2]" 1
557 1 43 LYS HG2 1 44 ARG H 4.000 . 5.000 4.207 2.285 5.043 0.043 4 0 "[ . 1 . 2]" 1
558 1 43 LYS HG3 1 44 ARG H 5.000 . 7.000 4.465 2.894 5.271 . 0 0 "[ . 1 . 2]" 1
559 1 44 ARG HA 1 45 LEU H 3.500 . 4.000 3.525 3.486 3.562 . 0 0 "[ . 1 . 2]" 1
560 1 44 ARG HB2 1 45 LEU H 4.000 . 5.000 3.328 2.406 3.969 . 0 0 "[ . 1 . 2]" 1
561 1 44 ARG HB3 1 45 LEU H 3.500 . 4.000 2.981 2.372 3.723 . 0 0 "[ . 1 . 2]" 1
562 1 44 ARG H 1 45 LEU H 3.000 . 3.500 2.623 2.414 2.739 . 0 0 "[ . 1 . 2]" 1
563 1 45 LEU HA 1 46 SER H 4.000 . 5.000 3.520 3.418 3.565 . 0 0 "[ . 1 . 2]" 1
564 1 45 LEU HB2 1 46 SER H 3.500 . 4.000 3.291 2.476 4.030 0.030 8 0 "[ . 1 . 2]" 1
565 1 45 LEU HB3 1 46 SER H 4.000 . 5.000 3.100 2.276 4.272 . 0 0 "[ . 1 . 2]" 1
566 1 45 LEU QD 1 46 SER H 5.500 . 7.500 3.859 2.633 4.225 . 0 0 "[ . 1 . 2]" 1
567 1 45 LEU HG 1 46 SER H 5.000 . 7.000 4.068 2.917 5.103 . 0 0 "[ . 1 . 2]" 1
568 1 46 SER HA 1 47 LYS H 3.500 . 4.000 3.488 3.467 3.531 . 0 0 "[ . 1 . 2]" 1
569 1 46 SER HB2 1 47 LYS H 4.000 . 5.000 3.159 2.669 4.098 . 0 0 "[ . 1 . 2]" 1
570 1 46 SER HB3 1 47 LYS H 4.000 . 5.000 3.663 2.721 4.003 . 0 0 "[ . 1 . 2]" 1
571 1 46 SER H 1 47 LYS H 3.500 . 4.000 2.658 2.514 2.847 . 0 0 "[ . 1 . 2]" 1
572 1 46 SER H 1 47 LYS QB 4.000 . 5.000 4.463 4.296 4.809 . 0 0 "[ . 1 . 2]" 1
573 1 47 LYS QB 1 48 VAL H 3.500 . 4.000 2.592 2.191 3.044 . 0 0 "[ . 1 . 2]" 1
574 1 47 LYS QD 1 48 VAL H 4.000 . 5.000 4.545 3.394 5.096 0.096 7 0 "[ . 1 . 2]" 1
575 1 47 LYS HG2 1 48 VAL H 4.000 . 5.000 4.260 3.037 5.056 0.056 5 0 "[ . 1 . 2]" 1
576 1 47 LYS H 1 48 VAL H 3.000 . 3.500 2.639 2.398 3.030 . 0 0 "[ . 1 . 2]" 1
577 1 47 LYS H 1 48 VAL QG 5.000 . 7.000 3.857 3.408 4.630 . 0 0 "[ . 1 . 2]" 1
578 1 48 VAL HA 1 49 VAL H 4.000 . 5.000 3.562 3.517 3.601 . 0 0 "[ . 1 . 2]" 1
579 1 48 VAL HB 1 49 VAL H 3.000 . 3.500 3.042 2.365 3.801 0.301 12 0 "[ . 1 . 2]" 1
580 1 48 VAL HB 1 49 VAL HA 5.000 . 7.000 4.402 3.917 5.545 . 0 0 "[ . 1 . 2]" 1
581 1 48 VAL HB 1 49 VAL MG1 5.500 . 7.500 5.102 2.823 6.642 . 0 0 "[ . 1 . 2]" 1
582 1 48 VAL QG 1 49 VAL H 4.000 . 5.000 2.517 1.774 3.229 0.026 2 0 "[ . 1 . 2]" 1
583 1 48 VAL H 1 49 VAL H 3.000 . 3.500 2.348 2.168 2.648 . 0 0 "[ . 1 . 2]" 1
584 1 48 VAL H 1 49 VAL MG1 5.500 . 7.500 5.109 3.605 5.833 . 0 0 "[ . 1 . 2]" 1
585 1 49 VAL HA 1 50 PHE H 3.500 . 4.000 3.516 3.428 3.573 . 0 0 "[ . 1 . 2]" 1
586 1 49 VAL HA 1 50 PHE QD 5.500 . 7.500 4.863 4.309 5.697 . 0 0 "[ . 1 . 2]" 1
587 1 49 VAL HB 1 50 PHE H 3.500 . 4.000 3.045 2.328 4.100 0.100 11 0 "[ . 1 . 2]" 1
588 1 49 VAL MG1 1 50 PHE H 5.500 . 7.500 3.386 2.310 4.052 . 0 0 "[ . 1 . 2]" 1
589 1 49 VAL MG2 1 50 PHE H 5.500 . 7.500 3.606 2.411 3.904 . 0 0 "[ . 1 . 2]" 1
590 1 49 VAL MG2 1 50 PHE QD 6.000 . 8.000 3.923 2.350 4.818 . 0 0 "[ . 1 . 2]" 1
591 1 49 VAL MG2 1 50 PHE QE 6.000 . 8.000 4.237 2.814 4.918 . 0 0 "[ . 1 . 2]" 1
592 1 49 VAL H 1 50 PHE H 3.500 . 4.000 2.562 2.346 2.899 . 0 0 "[ . 1 . 2]" 1
593 1 50 PHE HA 1 51 LYS H 4.000 . 5.000 3.057 2.667 3.442 . 0 0 "[ . 1 . 2]" 1
594 1 50 PHE QB 1 51 LYS H 4.000 . 5.000 3.621 2.891 3.893 . 0 0 "[ . 1 . 2]" 1
595 1 50 PHE QD 1 51 LYS HA 5.500 . 7.500 5.988 5.807 6.081 . 0 0 "[ . 1 . 2]" 1
596 1 50 PHE H 1 51 LYS H 3.500 . 4.000 2.806 2.488 3.337 . 0 0 "[ . 1 . 2]" 1
597 1 50 PHE H 1 51 LYS HB2 5.000 . 7.000 4.610 3.838 6.022 . 0 0 "[ . 1 . 2]" 1
598 1 51 LYS HA 1 52 ASP H 3.000 . 3.500 3.455 3.271 3.550 0.050 16 0 "[ . 1 . 2]" 1
599 1 51 LYS HB2 1 52 ASP H 3.500 . 4.000 3.924 3.325 4.123 0.123 12 0 "[ . 1 . 2]" 1
600 1 51 LYS HB3 1 52 ASP H 4.000 . 5.000 3.053 2.306 4.279 . 0 0 "[ . 1 . 2]" 1
601 1 51 LYS HG3 1 52 ASP H 5.000 . 7.000 4.833 2.915 5.658 . 0 0 "[ . 1 . 2]" 1
602 1 51 LYS H 1 52 ASP H 2.500 . 3.000 2.050 1.721 2.487 0.079 12 0 "[ . 1 . 2]" 1
603 1 51 LYS H 1 52 ASP HA 4.000 . 5.000 4.698 4.379 5.098 0.098 15 0 "[ . 1 . 2]" 1
604 1 51 LYS H 1 52 ASP HB2 5.000 . 7.000 4.328 3.814 4.705 . 0 0 "[ . 1 . 2]" 1
605 1 51 LYS H 1 52 ASP HB3 5.000 . 7.000 4.344 3.855 5.002 . 0 0 "[ . 1 . 2]" 1
606 1 52 ASP HA 1 53 SER H 3.000 . 3.500 2.140 2.097 2.195 . 0 0 "[ . 1 . 2]" 1
607 1 52 ASP HB2 1 53 SER H 5.000 . 7.000 4.257 4.012 4.487 . 0 0 "[ . 1 . 2]" 1
608 1 52 ASP HB3 1 53 SER H 5.000 . 7.000 4.139 3.992 4.259 . 0 0 "[ . 1 . 2]" 1
609 1 52 ASP H 1 53 SER H 5.000 . 7.000 4.500 4.295 4.602 . 0 0 "[ . 1 . 2]" 1
610 1 53 SER HA 1 54 LEU H 4.000 . 5.000 3.523 3.466 3.573 . 0 0 "[ . 1 . 2]" 1
611 1 53 SER HB2 1 54 LEU H 4.000 . 5.000 3.127 2.588 3.998 . 0 0 "[ . 1 . 2]" 1
612 1 53 SER H 1 54 LEU H 4.000 . 5.000 2.622 2.560 2.807 . 0 0 "[ . 1 . 2]" 1
613 1 54 LEU HA 1 55 VAL H 4.000 . 5.000 3.551 3.531 3.569 . 0 0 "[ . 1 . 2]" 1
614 1 54 LEU HB2 1 55 VAL H 4.000 . 5.000 2.872 2.286 3.847 . 0 0 "[ . 1 . 2]" 1
615 1 54 LEU HB2 1 55 VAL HA 4.500 . 5.500 4.704 4.192 5.597 0.097 18 0 "[ . 1 . 2]" 1
616 1 54 LEU HB3 1 55 VAL H 3.500 . 4.000 3.179 2.302 4.067 0.067 12 0 "[ . 1 . 2]" 1
617 1 54 LEU QD 1 55 VAL H 5.500 . 7.500 3.798 3.060 4.076 . 0 0 "[ . 1 . 2]" 1
618 1 54 LEU HG 1 55 VAL H 5.000 . 7.000 4.257 1.990 5.074 . 0 0 "[ . 1 . 2]" 1
619 1 54 LEU H 1 55 VAL H 2.500 . 3.000 2.628 2.530 2.732 . 0 0 "[ . 1 . 2]" 1
620 1 54 LEU H 1 55 VAL HA 5.000 . 7.000 5.239 5.166 5.329 . 0 0 "[ . 1 . 2]" 1
621 1 54 LEU H 1 55 VAL MG1 5.500 . 7.500 5.663 3.894 5.944 . 0 0 "[ . 1 . 2]" 1
622 1 54 LEU H 1 55 VAL MG2 5.500 . 7.500 4.204 3.871 5.908 . 0 0 "[ . 1 . 2]" 1
623 1 55 VAL HB 1 56 ALA H 3.000 . 3.500 2.717 2.434 3.730 0.230 13 0 "[ . 1 . 2]" 1
624 1 55 VAL HB 1 56 ALA MB 4.500 . 5.500 4.122 3.877 5.219 . 0 0 "[ . 1 . 2]" 1
625 1 55 VAL MG2 1 56 ALA H 5.500 . 7.500 3.742 2.012 3.926 . 0 0 "[ . 1 . 2]" 1
626 1 55 VAL MG2 1 56 ALA HA 5.500 . 7.500 5.232 3.112 5.471 . 0 0 "[ . 1 . 2]" 1
627 1 55 VAL H 1 56 ALA H 3.000 . 3.500 2.675 2.548 2.788 . 0 0 "[ . 1 . 2]" 1
628 1 56 ALA HA 1 57 ASP H 4.000 . 5.000 3.550 3.514 3.570 . 0 0 "[ . 1 . 2]" 1
629 1 56 ALA MB 1 57 ASP H 4.500 . 5.500 2.402 2.296 2.560 . 0 0 "[ . 1 . 2]" 1
630 1 56 ALA MB 1 57 ASP HA 5.500 . 7.500 3.794 3.715 3.859 . 0 0 "[ . 1 . 2]" 1
631 1 56 ALA H 1 57 ASP H 3.500 . 4.000 2.770 2.680 2.868 . 0 0 "[ . 1 . 2]" 1
632 1 56 ALA H 1 57 ASP HB2 5.000 . 7.000 5.192 4.740 5.325 . 0 0 "[ . 1 . 2]" 1
633 1 57 ASP HA 1 58 TYR H 4.000 . 5.000 3.523 3.467 3.551 . 0 0 "[ . 1 . 2]" 1
634 1 57 ASP HB2 1 58 TYR H 3.500 . 4.000 3.829 2.947 3.983 . 0 0 "[ . 1 . 2]" 1
635 1 57 ASP HB3 1 58 TYR H 3.500 . 4.000 2.625 2.409 3.464 . 0 0 "[ . 1 . 2]" 1
636 1 57 ASP HB3 1 58 TYR HA 4.000 . 5.000 4.230 4.079 4.388 . 0 0 "[ . 1 . 2]" 1
637 1 57 ASP H 1 58 TYR H 3.000 . 3.500 2.655 2.478 2.756 . 0 0 "[ . 1 . 2]" 1
638 1 58 TYR HA 1 59 PHE H 5.000 . 7.000 3.563 3.520 3.590 . 0 0 "[ . 1 . 2]" 1
639 1 58 TYR HB2 1 59 PHE H 4.000 . 5.000 3.747 3.573 3.883 . 0 0 "[ . 1 . 2]" 1
640 1 58 TYR HB2 1 59 PHE QD 5.500 . 7.500 5.081 4.058 6.849 . 0 0 "[ . 1 . 2]" 1
641 1 58 TYR HB3 1 59 PHE H 3.500 . 4.000 2.396 2.164 2.576 . 0 0 "[ . 1 . 2]" 1
642 1 58 TYR HB3 1 59 PHE QD 4.500 . 5.500 3.451 2.314 5.363 . 0 0 "[ . 1 . 2]" 1
643 1 58 TYR HB3 1 59 PHE QE 5.500 . 7.500 4.686 3.689 7.523 0.023 11 0 "[ . 1 . 2]" 1
644 1 58 TYR QD 1 59 PHE H 5.500 . 7.500 3.412 2.946 3.840 . 0 0 "[ . 1 . 2]" 1
645 1 58 TYR QD 1 59 PHE HA 5.500 . 7.500 3.522 3.079 3.992 . 0 0 "[ . 1 . 2]" 1
646 1 58 TYR QD 1 59 PHE QD 5.000 . 7.000 3.250 2.463 4.088 . 0 0 "[ . 1 . 2]" 1
647 1 58 TYR QD 1 59 PHE QE 6.000 . 8.000 3.727 2.936 6.193 . 0 0 "[ . 1 . 2]" 1
648 1 58 TYR QE 1 59 PHE HA 5.500 . 7.500 4.813 4.266 5.321 . 0 0 "[ . 1 . 2]" 1
649 1 58 TYR QE 1 59 PHE QD 6.000 . 8.000 4.730 3.955 5.549 . 0 0 "[ . 1 . 2]" 1
650 1 58 TYR H 1 59 PHE H 3.000 . 3.500 2.822 2.684 2.957 . 0 0 "[ . 1 . 2]" 1
651 1 59 PHE HA 1 60 ASN H 4.000 . 5.000 3.538 3.479 3.577 . 0 0 "[ . 1 . 2]" 1
652 1 59 PHE HB2 1 60 ASN H 3.500 . 4.000 2.880 2.417 3.770 . 0 0 "[ . 1 . 2]" 1
653 1 59 PHE QD 1 60 ASN H 5.500 . 7.500 4.345 3.485 4.638 . 0 0 "[ . 1 . 2]" 1
654 1 59 PHE H 1 60 ASN H 3.500 . 4.000 2.630 2.445 2.791 . 0 0 "[ . 1 . 2]" 1
655 1 60 ASN HA 1 61 ARG H 4.000 . 5.000 3.518 3.475 3.564 . 0 0 "[ . 1 . 2]" 1
656 1 60 ASN HB2 1 61 ARG H 4.000 . 5.000 3.587 2.780 4.089 . 0 0 "[ . 1 . 2]" 1
657 1 60 ASN HB3 1 61 ARG H 4.000 . 5.000 3.064 2.483 3.841 . 0 0 "[ . 1 . 2]" 1
658 1 60 ASN HB3 1 61 ARG HG3 5.000 . 7.000 5.542 3.393 6.700 . 0 0 "[ . 1 . 2]" 1
659 1 60 ASN H 1 61 ARG H 3.000 . 3.500 2.658 2.558 2.741 . 0 0 "[ . 1 . 2]" 1
660 1 61 ARG HA 1 62 HIS H 4.000 . 5.000 3.535 3.453 3.579 . 0 0 "[ . 1 . 2]" 1
661 1 61 ARG HB2 1 62 HIS H 4.000 . 5.000 3.489 2.559 3.983 . 0 0 "[ . 1 . 2]" 1
662 1 61 ARG HB2 1 62 HIS HD2 5.000 . 7.000 3.680 1.875 4.833 . 0 0 "[ . 1 . 2]" 1
663 1 61 ARG HB3 1 62 HIS H 3.500 . 4.000 3.092 2.430 4.014 0.014 2 0 "[ . 1 . 2]" 1
664 1 61 ARG HB3 1 62 HIS HD2 4.000 . 5.000 3.094 2.034 4.835 . 0 0 "[ . 1 . 2]" 1
665 1 61 ARG HB3 1 62 HIS HE1 5.000 . 7.000 6.238 5.771 7.054 0.054 14 0 "[ . 1 . 2]" 1
666 1 61 ARG QD 1 62 HIS HD2 5.000 . 7.000 4.558 2.897 6.445 . 0 0 "[ . 1 . 2]" 1
667 1 61 ARG HG2 1 62 HIS H 5.000 . 7.000 4.382 3.339 5.144 . 0 0 "[ . 1 . 2]" 1
668 1 61 ARG H 1 62 HIS H 3.000 . 3.500 2.452 2.354 2.637 . 0 0 "[ . 1 . 2]" 1
669 1 62 HIS HA 1 63 PHE H 3.500 . 4.000 3.453 3.347 3.550 . 0 0 "[ . 1 . 2]" 1
670 1 62 HIS HA 1 63 PHE QD 5.500 . 7.500 4.927 4.583 5.186 . 0 0 "[ . 1 . 2]" 1
671 1 62 HIS HB2 1 63 PHE H 3.500 . 4.000 3.144 2.796 3.446 . 0 0 "[ . 1 . 2]" 1
672 1 62 HIS HB2 1 63 PHE QD 5.500 . 7.500 3.004 2.435 3.466 . 0 0 "[ . 1 . 2]" 1
673 1 62 HIS HB3 1 63 PHE H 4.000 . 5.000 3.862 3.461 4.146 . 0 0 "[ . 1 . 2]" 1
674 1 62 HIS HB3 1 63 PHE HA 5.000 . 7.000 4.635 4.314 4.840 . 0 0 "[ . 1 . 2]" 1
675 1 62 HIS HB3 1 63 PHE QD 5.500 . 7.500 3.643 2.675 4.019 . 0 0 "[ . 1 . 2]" 1
676 1 62 HIS H 1 63 PHE H 3.000 . 3.500 2.401 2.281 2.538 . 0 0 "[ . 1 . 2]" 1
677 1 62 HIS H 1 63 PHE QD 5.500 . 7.500 4.094 3.630 4.735 . 0 0 "[ . 1 . 2]" 1
678 1 63 PHE HA 1 64 VAL H 3.000 . 3.500 2.336 2.123 2.530 . 0 0 "[ . 1 . 2]" 1
679 1 63 PHE HA 1 64 VAL HA 5.000 . 7.000 4.397 4.261 4.482 . 0 0 "[ . 1 . 2]" 1
680 1 63 PHE HA 1 64 VAL QG 5.000 . 7.000 3.575 3.317 3.794 . 0 0 "[ . 1 . 2]" 1
681 1 63 PHE HB2 1 64 VAL H 3.500 . 4.000 3.658 2.497 4.147 0.147 11 0 "[ . 1 . 2]" 1
682 1 63 PHE HB2 1 64 VAL QG 5.000 . 7.000 4.887 3.517 5.222 . 0 0 "[ . 1 . 2]" 1
683 1 63 PHE HB3 1 64 VAL H 4.000 . 5.000 2.737 2.251 3.580 . 0 0 "[ . 1 . 2]" 1
684 1 63 PHE HB3 1 64 VAL QG 5.000 . 7.000 4.358 3.572 4.854 . 0 0 "[ . 1 . 2]" 1
685 1 63 PHE QD 1 64 VAL H 5.500 . 7.500 3.903 3.257 4.495 . 0 0 "[ . 1 . 2]" 1
686 1 63 PHE H 1 64 VAL H 5.000 . 7.000 4.410 4.277 4.482 . 0 0 "[ . 1 . 2]" 1
687 1 64 VAL HA 1 65 ASN H 2.500 . 3.000 2.143 2.107 2.183 . 0 0 "[ . 1 . 2]" 1
688 1 64 VAL QG 1 65 ASN H 4.000 . 5.000 2.940 2.582 3.575 . 0 0 "[ . 1 . 2]" 1
689 1 64 VAL QG 1 65 ASN HA 5.000 . 7.000 4.019 3.751 4.386 . 0 0 "[ . 1 . 2]" 1
690 1 64 VAL H 1 65 ASN H 5.000 . 7.000 4.396 4.295 4.543 . 0 0 "[ . 1 . 2]" 1
691 1 65 ASN HA 1 66 LEU H 2.500 . 3.000 2.137 2.076 2.220 . 0 0 "[ . 1 . 2]" 1
692 1 65 ASN HA 1 66 LEU HB2 5.000 . 7.000 4.655 4.477 4.798 . 0 0 "[ . 1 . 2]" 1
693 1 65 ASN HA 1 66 LEU HB3 5.000 . 7.000 4.513 4.267 4.716 . 0 0 "[ . 1 . 2]" 1
694 1 65 ASN HB2 1 66 LEU H 4.000 . 5.000 4.260 2.923 4.500 . 0 0 "[ . 1 . 2]" 1
695 1 65 ASN HB2 1 66 LEU HA 5.000 . 7.000 4.890 4.258 5.099 . 0 0 "[ . 1 . 2]" 1
696 1 65 ASN HB3 1 66 LEU H 5.000 . 7.000 3.723 3.414 3.969 . 0 0 "[ . 1 . 2]" 1
697 1 65 ASN HB3 1 66 LEU HA 5.000 . 7.000 4.844 4.539 5.772 . 0 0 "[ . 1 . 2]" 1
698 1 65 ASN H 1 66 LEU H 5.000 . 7.000 4.316 4.150 4.555 . 0 0 "[ . 1 . 2]" 1
699 1 66 LEU HA 1 67 LYS H 2.500 . 3.000 2.170 2.124 2.256 . 0 0 "[ . 1 . 2]" 1
700 1 66 LEU HB2 1 67 LYS H 4.000 . 5.000 4.192 4.071 4.259 . 0 0 "[ . 1 . 2]" 1
701 1 66 LEU HB3 1 67 LYS H 4.000 . 5.000 4.214 4.046 4.344 . 0 0 "[ . 1 . 2]" 1
702 1 66 LEU QD 1 67 LYS H 4.500 . 5.500 2.351 2.027 2.736 . 0 0 "[ . 1 . 2]" 1
703 1 66 LEU HG 1 67 LYS H 3.500 . 4.000 3.081 2.678 3.381 . 0 0 "[ . 1 . 2]" 1
704 1 66 LEU H 1 67 LYS H 5.000 . 7.000 4.377 4.103 4.502 . 0 0 "[ . 1 . 2]" 1
705 1 67 LYS QB 1 68 MET H 4.000 . 5.000 3.593 2.691 3.860 . 0 0 "[ . 1 . 2]" 1
706 1 68 MET HA 1 69 ASP H 2.500 . 3.000 2.193 2.117 2.360 . 0 0 "[ . 1 . 2]" 1
707 1 68 MET HB2 1 69 ASP H 4.000 . 5.000 4.157 3.795 4.540 . 0 0 "[ . 1 . 2]" 1
708 1 68 MET HB3 1 69 ASP H 4.000 . 5.000 3.486 2.553 4.336 . 0 0 "[ . 1 . 2]" 1
709 1 68 MET QG 1 69 ASP H 4.000 . 5.000 3.531 2.201 4.523 . 0 0 "[ . 1 . 2]" 1
710 1 68 MET H 1 69 ASP H 5.000 . 7.000 4.270 3.846 4.443 . 0 0 "[ . 1 . 2]" 1
711 1 69 ASP HA 1 70 MET H 3.000 . 3.500 2.297 2.198 2.371 . 0 0 "[ . 1 . 2]" 1
712 1 69 ASP HA 1 70 MET HA 5.000 . 7.000 4.332 4.161 4.404 . 0 0 "[ . 1 . 2]" 1
713 1 69 ASP HB2 1 70 MET H 4.000 . 5.000 3.877 2.638 4.100 . 0 0 "[ . 1 . 2]" 1
714 1 69 ASP HB3 1 70 MET H 3.500 . 4.000 3.022 2.577 3.521 . 0 0 "[ . 1 . 2]" 1
715 1 69 ASP HB3 1 70 MET HB2 4.000 . 5.000 5.135 4.642 5.572 0.572 19 1 "[ . 1 . +2]" 1
716 1 70 MET HA 1 71 GLU H 4.000 . 5.000 3.327 3.194 3.498 . 0 0 "[ . 1 . 2]" 1
717 1 70 MET HB2 1 71 GLU H 4.000 . 5.000 3.513 2.948 4.136 . 0 0 "[ . 1 . 2]" 1
718 1 70 MET QG 1 71 GLU H 5.000 . 7.000 4.310 3.107 4.524 . 0 0 "[ . 1 . 2]" 1
719 1 70 MET H 1 71 GLU H 3.500 . 4.000 2.325 1.774 2.657 0.026 1 0 "[ . 1 . 2]" 1
720 1 71 GLU HA 1 72 LYS H 3.500 . 4.000 3.059 2.064 3.569 . 0 0 "[ . 1 . 2]" 1
721 1 71 GLU HB3 1 72 LYS H 4.000 . 5.000 3.631 2.343 4.579 . 0 0 "[ . 1 . 2]" 1
722 1 71 GLU HG2 1 72 LYS H 4.000 . 5.000 4.451 3.430 5.299 0.299 5 0 "[ . 1 . 2]" 1
723 1 71 GLU HG3 1 72 LYS H 4.000 . 5.000 4.484 3.481 5.107 0.107 20 0 "[ . 1 . 2]" 1
724 1 71 GLU H 1 72 LYS H 3.500 . 4.000 2.522 1.865 4.202 0.202 2 0 "[ . 1 . 2]" 1
725 1 71 GLU H 1 72 LYS HA 5.000 . 7.000 4.842 4.548 5.733 . 0 0 "[ . 1 . 2]" 1
726 1 71 GLU H 1 72 LYS QG 5.000 . 7.000 4.987 3.056 6.047 . 0 0 "[ . 1 . 2]" 1
727 1 72 LYS HA 1 73 GLY HA2 5.000 . 7.000 4.408 4.185 4.654 . 0 0 "[ . 1 . 2]" 1
728 1 72 LYS HA 1 73 GLY HA3 5.000 . 7.000 4.484 4.316 4.696 . 0 0 "[ . 1 . 2]" 1
729 1 72 LYS HB2 1 73 GLY HA2 5.000 . 7.000 5.805 5.105 6.344 . 0 0 "[ . 1 . 2]" 1
730 1 72 LYS HB2 1 73 GLY HA3 5.000 . 7.000 5.271 4.319 6.092 . 0 0 "[ . 1 . 2]" 1
731 1 72 LYS HB3 1 73 GLY HA3 5.000 . 7.000 4.508 3.741 5.424 . 0 0 "[ . 1 . 2]" 1
732 1 72 LYS QG 1 73 GLY HA2 5.000 . 7.000 4.890 3.448 6.423 . 0 0 "[ . 1 . 2]" 1
733 1 72 LYS QG 1 73 GLY HA3 5.000 . 7.000 4.487 3.017 6.189 . 0 0 "[ . 1 . 2]" 1
734 1 73 GLY HA2 1 74 GLU HB3 5.000 . 7.000 5.815 4.896 6.621 . 0 0 "[ . 1 . 2]" 1
735 1 73 GLY HA2 1 74 GLU QG 5.000 . 7.000 4.696 3.134 5.904 . 0 0 "[ . 1 . 2]" 1
736 1 73 GLY HA3 1 74 GLU HB2 5.000 . 7.000 4.981 4.373 5.812 . 0 0 "[ . 1 . 2]" 1
737 1 73 GLY HA3 1 74 GLU HB3 5.000 . 7.000 5.621 4.670 6.083 . 0 0 "[ . 1 . 2]" 1
738 1 73 GLY HA3 1 74 GLU QG 5.000 . 7.000 4.425 3.464 5.841 . 0 0 "[ . 1 . 2]" 1
739 1 74 GLU HA 1 75 GLY H 4.000 . 5.000 3.179 2.997 3.527 . 0 0 "[ . 1 . 2]" 1
740 1 74 GLU HB2 1 75 GLY H 4.000 . 5.000 3.837 2.744 4.410 . 0 0 "[ . 1 . 2]" 1
741 1 74 GLU HB2 1 75 GLY HA2 4.000 . 5.000 4.618 4.105 4.988 . 0 0 "[ . 1 . 2]" 1
742 1 74 GLU HB3 1 75 GLY H 4.000 . 5.000 4.335 3.775 4.583 . 0 0 "[ . 1 . 2]" 1
743 1 74 GLU QG 1 75 GLY H 4.000 . 5.000 4.274 3.182 4.965 . 0 0 "[ . 1 . 2]" 1
744 1 75 GLY HA2 1 76 VAL H 3.000 . 3.500 3.519 3.489 3.556 0.056 9 0 "[ . 1 . 2]" 1
745 1 75 GLY HA3 1 76 VAL H 4.000 . 5.000 2.841 2.617 2.947 . 0 0 "[ . 1 . 2]" 1
746 1 75 GLY H 1 76 VAL H 3.000 . 3.500 2.721 2.547 2.908 . 0 0 "[ . 1 . 2]" 1
747 1 75 GLY H 1 76 VAL MG1 5.500 . 7.500 3.946 3.602 4.498 . 0 0 "[ . 1 . 2]" 1
748 1 75 GLY H 1 76 VAL MG2 5.500 . 7.500 5.071 3.719 6.076 . 0 0 "[ . 1 . 2]" 1
749 1 76 VAL HA 1 77 GLU H 4.000 . 5.000 3.504 3.444 3.550 . 0 0 "[ . 1 . 2]" 1
750 1 76 VAL MG1 1 77 GLU H 5.500 . 7.500 3.012 2.113 4.092 . 0 0 "[ . 1 . 2]" 1
751 1 76 VAL MG2 1 77 GLU H 5.500 . 7.500 3.060 2.166 3.865 . 0 0 "[ . 1 . 2]" 1
752 1 76 VAL H 1 77 GLU H 3.000 . 3.500 2.652 2.539 2.861 . 0 0 "[ . 1 . 2]" 1
753 1 76 VAL H 1 77 GLU HA 5.000 . 7.000 5.255 5.137 5.402 . 0 0 "[ . 1 . 2]" 1
754 1 77 GLU HA 1 78 LEU H 4.000 . 5.000 3.549 3.525 3.570 . 0 0 "[ . 1 . 2]" 1
755 1 77 GLU HB3 1 78 LEU H 3.000 . 3.500 2.866 2.310 3.517 0.017 3 0 "[ . 1 . 2]" 1
756 1 77 GLU HB3 1 78 LEU QD 4.500 . 5.500 3.345 2.136 4.148 . 0 0 "[ . 1 . 2]" 1
757 1 77 GLU QG 1 78 LEU H 4.000 . 5.000 3.868 3.334 4.504 . 0 0 "[ . 1 . 2]" 1
758 1 77 GLU H 1 78 LEU H 3.000 . 3.500 2.612 2.501 2.759 . 0 0 "[ . 1 . 2]" 1
759 1 77 GLU H 1 78 LEU HB3 5.000 . 7.000 6.129 5.971 6.252 . 0 0 "[ . 1 . 2]" 1
760 1 78 LEU H 1 79 ARG H 3.000 . 3.500 2.619 2.516 2.740 . 0 0 "[ . 1 . 2]" 1
761 1 79 ARG HA 1 80 LYS H 4.000 . 5.000 3.544 3.517 3.579 . 0 0 "[ . 1 . 2]" 1
762 1 79 ARG HB2 1 80 LYS H 3.500 . 4.000 3.710 2.757 3.879 . 0 0 "[ . 1 . 2]" 1
763 1 79 ARG HB3 1 80 LYS H 4.000 . 5.000 2.500 2.273 3.240 . 0 0 "[ . 1 . 2]" 1
764 1 79 ARG HD2 1 80 LYS H 5.000 . 7.000 5.381 4.193 6.343 . 0 0 "[ . 1 . 2]" 1
765 1 79 ARG H 1 80 LYS H 3.500 . 4.000 2.775 2.640 2.884 . 0 0 "[ . 1 . 2]" 1
766 1 80 LYS HA 1 81 LYS H 3.500 . 4.000 3.468 3.417 3.512 . 0 0 "[ . 1 . 2]" 1
767 1 80 LYS QB 1 81 LYS H 3.000 . 3.500 2.869 2.571 3.591 0.091 19 0 "[ . 1 . 2]" 1
768 1 80 LYS H 1 81 LYS H 3.000 . 3.500 2.426 2.378 2.455 . 0 0 "[ . 1 . 2]" 1
769 1 80 LYS H 1 81 LYS HA 4.000 . 5.000 5.037 5.003 5.067 0.067 1 0 "[ . 1 . 2]" 1
770 1 81 LYS HA 1 82 TYR H 3.500 . 4.000 3.543 3.497 3.569 . 0 0 "[ . 1 . 2]" 1
771 1 81 LYS HA 1 82 TYR QD 5.500 . 7.500 5.023 4.626 5.300 . 0 0 "[ . 1 . 2]" 1
772 1 81 LYS HB2 1 82 TYR H 3.500 . 4.000 3.651 2.555 4.050 0.050 1 0 "[ . 1 . 2]" 1
773 1 81 LYS HB2 1 82 TYR QD 4.500 . 5.500 4.180 2.233 5.111 . 0 0 "[ . 1 . 2]" 1
774 1 81 LYS HB2 1 82 TYR QE 5.500 . 7.500 4.465 3.077 5.261 . 0 0 "[ . 1 . 2]" 1
775 1 81 LYS HB3 1 82 TYR H 3.500 . 4.000 2.691 2.371 3.431 . 0 0 "[ . 1 . 2]" 1
776 1 81 LYS HB3 1 82 TYR QD 5.500 . 7.500 2.913 2.164 3.666 . 0 0 "[ . 1 . 2]" 1
777 1 81 LYS HB3 1 82 TYR QE 5.500 . 7.500 3.407 3.021 3.942 . 0 0 "[ . 1 . 2]" 1
778 1 81 LYS HD2 1 82 TYR QD 5.500 . 7.500 5.075 4.045 5.652 . 0 0 "[ . 1 . 2]" 1
779 1 81 LYS HD2 1 82 TYR QE 5.500 . 7.500 4.384 2.980 5.642 . 0 0 "[ . 1 . 2]" 1
780 1 81 LYS HD3 1 82 TYR QD 4.500 . 5.500 4.593 3.395 5.600 0.100 9 0 "[ . 1 . 2]" 1
781 1 81 LYS HD3 1 82 TYR QE 5.500 . 7.500 3.800 2.255 5.789 . 0 0 "[ . 1 . 2]" 1
782 1 81 LYS HE2 1 82 TYR QD 5.500 . 7.500 5.723 3.848 6.856 . 0 0 "[ . 1 . 2]" 1
783 1 81 LYS HE2 1 82 TYR QE 5.500 . 7.500 4.799 3.144 6.631 . 0 0 "[ . 1 . 2]" 1
784 1 81 LYS HE3 1 82 TYR QD 5.500 . 7.500 5.685 3.838 6.608 . 0 0 "[ . 1 . 2]" 1
785 1 81 LYS HE3 1 82 TYR QE 5.500 . 7.500 4.583 2.326 5.824 . 0 0 "[ . 1 . 2]" 1
786 1 81 LYS QE 1 82 TYR QE 5.500 . 7.500 4.096 2.268 5.469 . 0 0 "[ . 1 . 2]" 1
787 1 81 LYS HG2 1 82 TYR H 4.500 . 5.500 4.179 3.624 5.023 . 0 0 "[ . 1 . 2]" 1
788 1 81 LYS HG3 1 82 TYR H 4.500 . 5.500 4.447 3.197 4.953 . 0 0 "[ . 1 . 2]" 1
789 1 81 LYS HG3 1 82 TYR QD 4.000 . 5.000 4.575 3.383 5.080 0.080 5 0 "[ . 1 . 2]" 1
790 1 81 LYS HG3 1 82 TYR QE 4.000 . 5.000 4.533 3.491 5.077 0.077 3 0 "[ . 1 . 2]" 1
791 1 82 TYR HA 1 83 GLY H 4.000 . 5.000 3.299 3.103 3.498 . 0 0 "[ . 1 . 2]" 1
792 1 82 TYR HB2 1 83 GLY H 5.000 . 7.000 3.465 2.943 3.882 . 0 0 "[ . 1 . 2]" 1
793 1 82 TYR HB3 1 83 GLY H 4.000 . 5.000 4.224 3.832 4.427 . 0 0 "[ . 1 . 2]" 1
794 1 82 TYR QD 1 83 GLY H 5.500 . 7.500 4.511 4.214 4.838 . 0 0 "[ . 1 . 2]" 1
795 1 82 TYR H 1 83 GLY H 3.000 . 3.500 2.270 2.072 2.405 . 0 0 "[ . 1 . 2]" 1
796 1 83 GLY HA2 1 84 VAL H 3.000 . 3.500 2.660 2.138 3.534 0.034 19 0 "[ . 1 . 2]" 1
797 1 83 GLY HA3 1 84 VAL H 3.000 . 3.500 3.485 2.779 3.570 0.070 12 0 "[ . 1 . 2]" 1
798 1 83 GLY H 1 84 VAL H 3.000 . 3.500 2.874 2.557 3.485 . 0 0 "[ . 1 . 2]" 1
799 1 83 GLY H 1 84 VAL QG 5.000 . 7.000 3.828 3.355 4.786 . 0 0 "[ . 1 . 2]" 1
800 1 84 VAL QG 1 85 HIS HE1 5.000 . 7.000 6.169 5.560 7.025 0.025 17 0 "[ . 1 . 2]" 1
801 1 85 HIS HA 1 86 ALA H 4.000 . 5.000 3.216 2.277 3.591 . 0 0 "[ . 1 . 2]" 1
802 1 85 HIS HB2 1 86 ALA H 5.000 . 7.000 3.343 1.936 4.184 . 0 0 "[ . 1 . 2]" 1
803 1 85 HIS HB3 1 86 ALA H 5.000 . 7.000 3.960 2.344 4.455 . 0 0 "[ . 1 . 2]" 1
804 1 86 ALA HA 1 87 TYR H 2.500 . 3.000 2.697 2.450 3.042 0.042 1 0 "[ . 1 . 2]" 1
805 1 86 ALA HA 1 87 TYR QD 5.500 . 7.500 4.320 3.731 4.821 . 0 0 "[ . 1 . 2]" 1
806 1 86 ALA HA 1 87 TYR QE 5.500 . 7.500 4.995 4.443 5.952 . 0 0 "[ . 1 . 2]" 1
807 1 86 ALA MB 1 87 TYR H 4.000 . 5.000 2.174 1.779 3.638 0.021 1 0 "[ . 1 . 2]" 1
808 1 86 ALA H 1 87 TYR H 5.000 . 7.000 4.152 1.756 4.536 0.044 15 0 "[ . 1 . 2]" 1
809 1 86 ALA H 1 87 TYR QE 5.500 . 7.500 6.723 3.819 7.403 . 0 0 "[ . 1 . 2]" 1
810 1 87 TYR HA 1 88 PRO HB2 5.000 . 7.000 6.457 5.836 6.565 . 0 0 "[ . 1 . 2]" 1
811 1 87 TYR QB 1 88 PRO HA 3.500 . 4.000 4.135 4.054 4.224 0.224 13 0 "[ . 1 . 2]" 1
812 1 87 TYR QD 1 88 PRO HA 5.500 . 7.500 6.020 5.915 6.064 . 0 0 "[ . 1 . 2]" 1
813 1 88 PRO HA 1 89 THR H 3.000 . 3.500 2.206 2.144 2.256 . 0 0 "[ . 1 . 2]" 1
814 1 88 PRO HB2 1 89 THR H 4.000 . 5.000 3.600 3.109 3.986 . 0 0 "[ . 1 . 2]" 1
815 1 89 THR HA 1 90 LEU H 2.500 . 3.000 2.155 2.122 2.212 . 0 0 "[ . 1 . 2]" 1
816 1 89 THR HA 1 90 LEU HB2 5.000 . 7.000 4.573 4.461 4.710 . 0 0 "[ . 1 . 2]" 1
817 1 89 THR HA 1 90 LEU QD 5.500 . 7.500 3.509 2.802 4.390 . 0 0 "[ . 1 . 2]" 1
818 1 89 THR HB 1 90 LEU H 5.000 . 7.000 4.183 3.923 4.357 . 0 0 "[ . 1 . 2]" 1
819 1 89 THR HG1 1 90 LEU H 5.000 . 7.000 4.812 4.326 5.366 . 0 0 "[ . 1 . 2]" 1
820 1 90 LEU HA 1 91 LEU H 2.500 . 3.000 2.147 2.100 2.239 . 0 0 "[ . 1 . 2]" 1
821 1 90 LEU HA 1 91 LEU HB2 4.000 . 5.000 4.447 4.056 4.609 . 0 0 "[ . 1 . 2]" 1
822 1 90 LEU HB2 1 91 LEU H 4.000 . 5.000 4.255 3.928 4.405 . 0 0 "[ . 1 . 2]" 1
823 1 90 LEU HB3 1 91 LEU H 4.000 . 5.000 3.397 2.907 3.672 . 0 0 "[ . 1 . 2]" 1
824 1 90 LEU QD 1 91 LEU H 5.500 . 7.500 3.862 3.386 4.408 . 0 0 "[ . 1 . 2]" 1
825 1 90 LEU H 1 91 LEU H 5.000 . 7.000 4.367 4.247 4.525 . 0 0 "[ . 1 . 2]" 1
826 1 91 LEU HA 1 92 PHE HB2 5.000 . 7.000 4.610 4.430 4.731 . 0 0 "[ . 1 . 2]" 1
827 1 91 LEU HA 1 92 PHE QD 5.500 . 7.500 3.763 3.328 4.128 . 0 0 "[ . 1 . 2]" 1
828 1 91 LEU HB2 1 92 PHE H 4.000 . 5.000 4.229 4.083 4.493 . 0 0 "[ . 1 . 2]" 1
829 1 91 LEU QD 1 92 PHE H 5.500 . 7.500 3.136 2.269 3.658 . 0 0 "[ . 1 . 2]" 1
830 1 91 LEU H 1 92 PHE H 4.000 . 5.000 4.391 4.254 4.485 . 0 0 "[ . 1 . 2]" 1
831 1 92 PHE HA 1 93 ILE H 2.500 . 3.000 2.152 2.129 2.182 . 0 0 "[ . 1 . 2]" 1
832 1 92 PHE HA 1 93 ILE HB 5.000 . 7.000 4.606 4.422 4.733 . 0 0 "[ . 1 . 2]" 1
833 1 92 PHE HA 1 93 ILE MD 5.500 . 7.500 4.980 3.527 6.136 . 0 0 "[ . 1 . 2]" 1
834 1 92 PHE HA 1 93 ILE HG13 5.000 . 7.000 4.912 3.660 6.410 . 0 0 "[ . 1 . 2]" 1
835 1 92 PHE HB2 1 93 ILE H 5.000 . 7.000 4.336 4.187 4.434 . 0 0 "[ . 1 . 2]" 1
836 1 92 PHE HB3 1 93 ILE H 4.000 . 5.000 3.652 3.305 3.760 . 0 0 "[ . 1 . 2]" 1
837 1 92 PHE QD 1 93 ILE H 5.500 . 7.500 4.463 4.215 4.679 . 0 0 "[ . 1 . 2]" 1
838 1 92 PHE H 1 93 ILE H 5.000 . 7.000 4.218 4.066 4.379 . 0 0 "[ . 1 . 2]" 1
839 1 93 ILE HA 1 94 ASN H 2.500 . 3.000 2.199 2.114 2.323 . 0 0 "[ . 1 . 2]" 1
840 1 93 ILE HB 1 94 ASN H 5.000 . 7.000 4.083 3.955 4.288 . 0 0 "[ . 1 . 2]" 1
841 1 93 ILE MD 1 94 ASN H 5.500 . 7.500 4.325 3.406 5.182 . 0 0 "[ . 1 . 2]" 1
842 1 93 ILE HG12 1 94 ASN H 5.000 . 7.000 4.333 2.115 5.162 . 0 0 "[ . 1 . 2]" 1
843 1 93 ILE MG 1 94 ASN H 4.000 . 5.000 2.680 2.326 3.815 . 0 0 "[ . 1 . 2]" 1
844 1 93 ILE H 1 94 ASN H 5.000 . 7.000 4.426 4.286 4.501 . 0 0 "[ . 1 . 2]" 1
845 1 94 ASN HA 1 95 SER H 3.000 . 3.500 2.554 2.380 2.750 . 0 0 "[ . 1 . 2]" 1
846 1 94 ASN HB2 1 95 SER H 3.000 . 3.500 2.743 1.968 3.770 0.270 9 0 "[ . 1 . 2]" 1
847 1 94 ASN HB3 1 95 SER H 3.500 . 4.000 3.072 1.792 3.720 0.008 8 0 "[ . 1 . 2]" 1
848 1 94 ASN HD21 1 95 SER H 5.000 . 7.000 4.616 3.675 5.451 . 0 0 "[ . 1 . 2]" 1
849 1 94 ASN HD22 1 95 SER H 5.000 . 7.000 5.211 3.553 6.163 . 0 0 "[ . 1 . 2]" 1
850 1 95 SER HA 1 96 SER H 3.500 . 4.000 3.445 3.276 3.549 . 0 0 "[ . 1 . 2]" 1
851 1 95 SER H 1 96 SER H 3.500 . 4.000 2.615 2.459 2.754 . 0 0 "[ . 1 . 2]" 1
852 1 96 SER HA 1 97 GLY H 4.000 . 5.000 3.334 2.921 3.500 . 0 0 "[ . 1 . 2]" 1
853 1 96 SER HB3 1 97 GLY H 4.000 . 5.000 3.927 2.856 4.498 . 0 0 "[ . 1 . 2]" 1
854 1 96 SER H 1 97 GLY H 2.500 . 3.000 2.523 2.264 2.922 . 0 0 "[ . 1 . 2]" 1
855 1 96 SER H 1 97 GLY HA2 4.000 . 5.000 4.832 4.605 5.001 0.001 8 0 "[ . 1 . 2]" 1
856 1 97 GLY HA2 1 98 GLU H 4.000 . 5.000 3.025 2.463 3.524 . 0 0 "[ . 1 . 2]" 1
857 1 97 GLY HA3 1 98 GLU H 4.000 . 5.000 3.347 2.187 3.556 . 0 0 "[ . 1 . 2]" 1
858 1 97 GLY H 1 98 GLU H 4.000 . 5.000 2.529 1.987 4.533 . 0 0 "[ . 1 . 2]" 1
859 1 97 GLY H 1 98 GLU QB 5.000 . 7.000 4.572 4.118 5.317 . 0 0 "[ . 1 . 2]" 1
860 1 97 GLY H 1 98 GLU QG 5.000 . 7.000 4.349 3.463 6.501 . 0 0 "[ . 1 . 2]" 1
861 1 98 GLU HA 1 99 VAL H 2.500 . 3.000 2.359 2.170 3.062 0.062 20 0 "[ . 1 . 2]" 1
862 1 98 GLU QB 1 99 VAL H 3.500 . 4.000 2.825 2.034 4.011 0.011 8 0 "[ . 1 . 2]" 1
863 1 98 GLU H 1 99 VAL H 5.000 . 7.000 4.333 2.561 4.598 . 0 0 "[ . 1 . 2]" 1
864 1 99 VAL HA 1 100 VAL H 3.000 . 3.500 2.171 2.095 2.285 . 0 0 "[ . 1 . 2]" 1
865 1 99 VAL MG2 1 100 VAL H 4.500 . 5.500 3.689 2.165 4.278 . 0 0 "[ . 1 . 2]" 1
866 1 99 VAL H 1 100 VAL H 5.000 . 7.000 4.397 3.570 4.566 . 0 0 "[ . 1 . 2]" 1
867 1 100 VAL HA 1 101 TYR H 4.000 . 5.000 3.518 3.425 3.568 . 0 0 "[ . 1 . 2]" 1
868 1 100 VAL HB 1 101 TYR H 3.500 . 4.000 3.221 2.114 4.046 0.046 8 0 "[ . 1 . 2]" 1
869 1 100 VAL QG 1 101 TYR H 4.000 . 5.000 2.617 1.900 3.232 . 0 0 "[ . 1 . 2]" 1
870 1 100 VAL QG 1 101 TYR HB2 5.000 . 7.000 2.998 2.475 4.505 . 0 0 "[ . 1 . 2]" 1
871 1 100 VAL QG 1 101 TYR HB3 5.000 . 7.000 3.157 2.652 4.199 . 0 0 "[ . 1 . 2]" 1
872 1 100 VAL H 1 101 TYR H 3.000 . 3.500 2.344 2.013 2.634 . 0 0 "[ . 1 . 2]" 1
873 1 101 TYR HA 1 102 ARG H 2.500 . 3.000 2.220 2.125 2.466 . 0 0 "[ . 1 . 2]" 1
874 1 101 TYR HA 1 102 ARG QB 5.000 . 7.000 4.257 3.925 4.442 . 0 0 "[ . 1 . 2]" 1
875 1 101 TYR HB2 1 102 ARG H 5.000 . 7.000 4.003 2.494 4.368 . 0 0 "[ . 1 . 2]" 1
876 1 101 TYR HB3 1 102 ARG H 4.000 . 5.000 3.989 3.765 4.174 . 0 0 "[ . 1 . 2]" 1
877 1 101 TYR QD 1 102 ARG H 5.500 . 7.500 3.335 2.908 4.147 . 0 0 "[ . 1 . 2]" 1
878 1 101 TYR QD 1 102 ARG HA 5.500 . 7.500 4.278 3.830 4.617 . 0 0 "[ . 1 . 2]" 1
879 1 101 TYR QE 1 102 ARG HA 5.500 . 7.500 5.353 4.725 5.867 . 0 0 "[ . 1 . 2]" 1
880 1 101 TYR H 1 102 ARG H 4.000 . 5.000 4.243 4.102 4.338 . 0 0 "[ . 1 . 2]" 1
881 1 102 ARG HA 1 103 LEU H 2.500 . 3.000 2.190 2.128 2.355 . 0 0 "[ . 1 . 2]" 1
882 1 102 ARG QB 1 103 LEU H 3.500 . 4.000 3.210 2.616 3.898 . 0 0 "[ . 1 . 2]" 1
883 1 102 ARG QG 1 103 LEU H 3.500 . 4.000 3.782 2.912 4.143 0.143 18 0 "[ . 1 . 2]" 1
884 1 102 ARG H 1 103 LEU H 5.000 . 7.000 4.383 4.208 4.571 . 0 0 "[ . 1 . 2]" 1
885 1 103 LEU HA 1 104 VAL H 2.500 . 3.000 2.143 2.119 2.173 . 0 0 "[ . 1 . 2]" 1
886 1 103 LEU QD 1 104 VAL H 4.000 . 5.000 2.719 2.122 3.005 . 0 0 "[ . 1 . 2]" 1
887 1 104 VAL HA 1 105 GLY H 2.500 . 3.000 2.155 2.130 2.219 . 0 0 "[ . 1 . 2]" 1
888 1 104 VAL HB 1 105 GLY H 4.000 . 5.000 3.922 2.841 4.395 . 0 0 "[ . 1 . 2]" 1
889 1 104 VAL MG1 1 105 GLY H 4.500 . 5.500 3.451 2.845 4.260 . 0 0 "[ . 1 . 2]" 1
890 1 104 VAL MG1 1 105 GLY HA2 5.500 . 7.500 4.578 3.600 5.616 . 0 0 "[ . 1 . 2]" 1
891 1 104 VAL MG1 1 105 GLY HA3 5.500 . 7.500 4.427 3.483 5.545 . 0 0 "[ . 1 . 2]" 1
892 1 104 VAL MG2 1 105 GLY H 5.500 . 7.500 4.086 3.207 4.295 . 0 0 "[ . 1 . 2]" 1
893 1 104 VAL H 1 105 GLY H 5.000 . 7.000 4.295 4.129 4.529 . 0 0 "[ . 1 . 2]" 1
894 1 105 GLY HA2 1 106 ALA H 3.000 . 3.500 2.394 2.076 2.878 . 0 0 "[ . 1 . 2]" 1
895 1 105 GLY HA2 1 106 ALA MB 5.500 . 7.500 3.847 3.769 3.978 . 0 0 "[ . 1 . 2]" 1
896 1 105 GLY HA3 1 106 ALA H 2.500 . 3.000 2.796 2.316 3.203 0.203 2 0 "[ . 1 . 2]" 1
897 1 105 GLY HA3 1 106 ALA HA 5.000 . 7.000 4.406 4.317 4.550 . 0 0 "[ . 1 . 2]" 1
898 1 105 GLY HA3 1 106 ALA MB 5.500 . 7.500 4.536 4.237 4.830 . 0 0 "[ . 1 . 2]" 1
899 1 106 ALA HA 1 107 GLU H 3.000 . 3.500 2.172 2.099 2.374 . 0 0 "[ . 1 . 2]" 1
900 1 106 ALA MB 1 107 GLU H 5.500 . 7.500 2.964 2.368 3.302 . 0 0 "[ . 1 . 2]" 1
901 1 106 ALA H 1 107 GLU H 5.000 . 7.000 4.242 3.883 4.506 . 0 0 "[ . 1 . 2]" 1
902 1 107 GLU HA 1 108 ASP H 2.500 . 3.000 2.616 2.463 2.725 . 0 0 "[ . 1 . 2]" 1
903 1 107 GLU HB2 1 108 ASP H 4.000 . 5.000 3.185 2.887 3.729 . 0 0 "[ . 1 . 2]" 1
904 1 107 GLU HB3 1 108 ASP H 3.000 . 3.500 2.121 1.918 2.479 . 0 0 "[ . 1 . 2]" 1
905 1 107 GLU H 1 108 ASP H 5.000 . 7.000 4.443 4.387 4.559 . 0 0 "[ . 1 . 2]" 1
906 1 108 ASP HA 1 109 ALA H 3.000 . 3.500 2.481 2.362 2.623 . 0 0 "[ . 1 . 2]" 1
907 1 108 ASP HA 1 109 ALA MB 5.500 . 7.500 4.210 4.138 4.277 . 0 0 "[ . 1 . 2]" 1
908 1 108 ASP HB3 1 109 ALA H 3.500 . 4.000 2.754 2.088 3.675 . 0 0 "[ . 1 . 2]" 1
909 1 108 ASP H 1 109 ALA H 5.000 . 7.000 4.613 4.550 4.670 . 0 0 "[ . 1 . 2]" 1
910 1 109 ALA MB 1 110 PRO HA 4.500 . 5.500 3.897 3.807 3.988 . 0 0 "[ . 1 . 2]" 1
911 1 109 ALA MB 1 110 PRO HD2 4.000 . 5.000 3.078 2.525 3.210 . 0 0 "[ . 1 . 2]" 1
912 1 109 ALA MB 1 110 PRO HD3 4.500 . 5.500 1.783 1.715 2.039 0.085 18 0 "[ . 1 . 2]" 1
913 1 109 ALA H 1 110 PRO HD2 3.500 . 4.000 2.918 2.326 3.167 . 0 0 "[ . 1 . 2]" 1
914 1 109 ALA H 1 110 PRO HD3 3.500 . 4.000 2.917 2.677 3.641 . 0 0 "[ . 1 . 2]" 1
915 1 109 ALA H 1 110 PRO HG2 5.000 . 7.000 4.975 4.521 5.175 . 0 0 "[ . 1 . 2]" 1
916 1 110 PRO HA 1 111 GLU H 4.000 . 5.000 3.550 3.509 3.579 . 0 0 "[ . 1 . 2]" 1
917 1 110 PRO HB2 1 111 GLU H 3.000 . 3.500 2.626 2.274 3.106 . 0 0 "[ . 1 . 2]" 1
918 1 110 PRO HB3 1 111 GLU H 3.500 . 4.000 3.943 3.745 4.054 0.054 16 0 "[ . 1 . 2]" 1
919 1 110 PRO HD2 1 111 GLU H 3.500 . 4.000 2.584 2.420 2.993 . 0 0 "[ . 1 . 2]" 1
920 1 110 PRO HD3 1 111 GLU H 3.500 . 4.000 3.916 3.793 4.071 0.071 20 0 "[ . 1 . 2]" 1
921 1 111 GLU HA 1 112 LEU H 3.500 . 4.000 3.512 3.459 3.544 . 0 0 "[ . 1 . 2]" 1
922 1 111 GLU HB2 1 112 LEU H 3.500 . 4.000 3.135 2.436 3.921 . 0 0 "[ . 1 . 2]" 1
923 1 111 GLU HB3 1 112 LEU H 3.500 . 4.000 3.384 2.573 3.893 . 0 0 "[ . 1 . 2]" 1
924 1 111 GLU QG 1 112 LEU H 5.000 . 7.000 4.066 3.666 4.619 . 0 0 "[ . 1 . 2]" 1
925 1 111 GLU H 1 112 LEU H 3.000 . 3.500 2.539 2.483 2.647 . 0 0 "[ . 1 . 2]" 1
926 1 112 LEU HA 1 113 LEU H 3.500 . 4.000 3.538 3.519 3.558 . 0 0 "[ . 1 . 2]" 1
927 1 112 LEU HB2 1 113 LEU H 3.000 . 3.500 3.597 3.440 3.673 0.173 7 0 "[ . 1 . 2]" 1
928 1 112 LEU HB3 1 113 LEU H 2.500 . 3.000 2.305 2.122 2.478 . 0 0 "[ . 1 . 2]" 1
929 1 112 LEU QD 1 113 LEU H 5.500 . 7.500 3.715 3.421 3.924 . 0 0 "[ . 1 . 2]" 1
930 1 112 LEU H 1 113 LEU H 3.500 . 4.000 2.714 2.557 2.895 . 0 0 "[ . 1 . 2]" 1
931 1 113 LEU HA 1 114 LYS H 3.500 . 4.000 3.522 3.482 3.574 . 0 0 "[ . 1 . 2]" 1
932 1 113 LEU HB2 1 114 LYS H 4.000 . 5.000 3.535 2.502 3.967 . 0 0 "[ . 1 . 2]" 1
933 1 113 LEU QD 1 114 LYS H 5.500 . 7.500 3.939 2.851 4.167 . 0 0 "[ . 1 . 2]" 1
934 1 113 LEU H 1 114 LYS H 2.500 . 3.000 2.728 2.610 2.904 . 0 0 "[ . 1 . 2]" 1
935 1 114 LYS QB 1 115 LYS H 2.500 . 3.000 2.537 2.301 3.199 0.199 18 0 "[ . 1 . 2]" 1
936 1 114 LYS H 1 115 LYS H 3.500 . 4.000 2.657 2.488 2.793 . 0 0 "[ . 1 . 2]" 1
937 1 115 LYS H 1 116 VAL H 2.500 . 3.000 2.705 2.565 2.838 . 0 0 "[ . 1 . 2]" 1
938 1 116 VAL HA 1 117 LYS H 4.000 . 5.000 3.549 3.519 3.572 . 0 0 "[ . 1 . 2]" 1
939 1 116 VAL MG2 1 117 LYS H 5.500 . 7.500 3.455 1.944 3.835 . 0 0 "[ . 1 . 2]" 1
940 1 116 VAL MG2 1 117 LYS HA 5.500 . 7.500 4.418 3.141 5.429 . 0 0 "[ . 1 . 2]" 1
941 1 116 VAL H 1 117 LYS H 3.000 . 3.500 2.660 2.557 2.809 . 0 0 "[ . 1 . 2]" 1
942 1 117 LYS HA 1 118 LEU H 4.000 . 5.000 3.544 3.501 3.572 . 0 0 "[ . 1 . 2]" 1
943 1 117 LYS H 1 118 LEU H 3.000 . 3.500 2.696 2.576 2.788 . 0 0 "[ . 1 . 2]" 1
944 1 118 LEU HA 1 119 GLY H 4.000 . 5.000 3.434 3.334 3.533 . 0 0 "[ . 1 . 2]" 1
945 1 118 LEU HB2 1 119 GLY H 3.500 . 4.000 3.637 2.784 4.098 0.098 7 0 "[ . 1 . 2]" 1
946 1 118 LEU HB3 1 119 GLY H 3.500 . 4.000 3.421 2.644 4.114 0.114 10 0 "[ . 1 . 2]" 1
947 1 118 LEU QD 1 119 GLY H 5.000 . 7.000 3.986 2.584 4.331 . 0 0 "[ . 1 . 2]" 1
948 1 118 LEU H 1 119 GLY H 3.000 . 3.500 2.523 2.416 2.638 . 0 0 "[ . 1 . 2]" 1
949 1 119 GLY HA2 1 120 VAL H 3.500 . 4.000 3.519 3.407 3.571 . 0 0 "[ . 1 . 2]" 1
950 1 119 GLY HA2 1 120 VAL MG1 5.500 . 7.500 5.658 4.678 6.165 . 0 0 "[ . 1 . 2]" 1
951 1 119 GLY HA3 1 120 VAL H 4.000 . 5.000 2.873 2.710 3.127 . 0 0 "[ . 1 . 2]" 1
952 1 119 GLY HA3 1 120 VAL MG1 5.500 . 7.500 5.007 3.591 5.739 . 0 0 "[ . 1 . 2]" 1
953 1 119 GLY H 1 120 VAL H 2.500 . 3.000 2.510 2.327 2.703 . 0 0 "[ . 1 . 2]" 1
954 1 119 GLY H 1 120 VAL MG1 5.500 . 7.500 5.237 4.044 5.909 . 0 0 "[ . 1 . 2]" 1
955 1 119 GLY H 1 120 VAL MG2 5.500 . 7.500 3.994 3.513 6.067 . 0 0 "[ . 1 . 2]" 1
956 1 120 VAL HB 1 121 GLU H 4.000 . 5.000 3.147 2.284 4.319 . 0 0 "[ . 1 . 2]" 1
957 1 120 VAL MG1 1 121 GLU H 5.500 . 7.500 3.642 2.737 4.209 . 0 0 "[ . 1 . 2]" 1
958 1 120 VAL MG2 1 121 GLU H 4.500 . 5.500 3.501 2.186 4.055 . 0 0 "[ . 1 . 2]" 1
959 1 120 VAL MG2 1 121 GLU HB3 5.500 . 7.500 5.625 3.096 6.788 . 0 0 "[ . 1 . 2]" 1
960 1 120 VAL MG2 1 121 GLU HG2 5.500 . 7.500 5.943 2.705 7.607 0.107 19 0 "[ . 1 . 2]" 1
961 1 120 VAL MG2 1 121 GLU HG3 5.500 . 7.500 5.804 4.149 7.366 . 0 0 "[ . 1 . 2]" 1
962 1 120 VAL H 1 121 GLU H 2.500 . 3.000 2.377 1.994 2.685 . 0 0 "[ . 1 . 2]" 1
963 1 120 VAL H 1 121 GLU HG2 5.000 . 7.000 5.924 3.542 7.060 0.060 6 0 "[ . 1 . 2]" 1
964 1 120 VAL H 1 121 GLU HG3 5.000 . 7.000 5.863 3.745 7.032 0.032 1 0 "[ . 1 . 2]" 1
965 1 121 GLU HA 1 122 SER H 3.500 . 4.000 2.271 2.078 2.705 . 0 0 "[ . 1 . 2]" 1
966 1 121 GLU HB2 1 122 SER H 5.000 . 7.000 4.188 2.478 4.625 . 0 0 "[ . 1 . 2]" 1
967 1 121 GLU HG3 1 122 SER H 5.000 . 7.000 4.470 2.563 5.864 . 0 0 "[ . 1 . 2]" 1
968 1 121 GLU QG 1 122 SER H 5.000 . 7.000 3.914 2.534 4.809 . 0 0 "[ . 1 . 2]" 1
969 1 122 SER HA 1 123 GLU H 4.000 . 5.000 2.602 2.110 3.577 . 0 0 "[ . 1 . 2]" 1
970 1 123 GLU HA 1 124 GLY H 5.000 . 7.000 2.737 2.120 3.572 . 0 0 "[ . 1 . 2]" 1
971 1 5 GLN HE21 1 7 ASP HB3 5.000 . 7.000 5.353 3.810 7.041 0.041 7 0 "[ . 1 . 2]" 1
972 1 5 GLN HE22 1 7 ASP HB3 5.000 . 7.000 5.626 3.809 7.002 0.002 9 0 "[ . 1 . 2]" 1
973 1 6 ALA MB 1 8 GLY H 5.500 . 7.500 4.611 2.319 6.192 . 0 0 "[ . 1 . 2]" 1
974 1 8 GLY HA3 1 10 ALA MB 5.500 . 7.500 5.972 5.510 6.421 . 0 0 "[ . 1 . 2]" 1
975 1 9 ILE HA 1 11 PHE QD 5.500 . 7.500 5.843 4.856 7.272 . 0 0 "[ . 1 . 2]" 1
976 1 9 ILE HA 1 11 PHE QE 5.500 . 7.500 5.752 5.141 7.596 0.096 11 0 "[ . 1 . 2]" 1
977 1 9 ILE MD 1 11 PHE QE 6.000 . 8.000 3.841 2.756 5.472 . 0 0 "[ . 1 . 2]" 1
978 1 9 ILE HG12 1 11 PHE QE 5.000 . 7.000 5.466 4.609 6.895 . 0 0 "[ . 1 . 2]" 1
979 1 9 ILE MG 1 11 PHE H 5.500 . 7.500 3.801 2.878 6.476 . 0 0 "[ . 1 . 2]" 1
980 1 9 ILE MG 1 11 PHE HA 5.500 . 7.500 3.907 3.202 6.756 . 0 0 "[ . 1 . 2]" 1
981 1 12 ARG HD2 1 14 LEU QD 5.500 . 7.500 4.004 2.788 5.307 . 0 0 "[ . 1 . 2]" 1
982 1 12 ARG HD3 1 14 LEU QD 5.500 . 7.500 3.991 2.548 5.818 . 0 0 "[ . 1 . 2]" 1
983 1 12 ARG H 1 14 LEU QD 5.500 . 7.500 5.275 4.431 6.192 . 0 0 "[ . 1 . 2]" 1
984 1 14 LEU HA 1 18 GLU HB2 4.000 . 5.000 4.500 3.537 5.044 0.044 18 0 "[ . 1 . 2]" 1
985 1 14 LEU HA 1 18 GLU HB3 5.000 . 7.000 4.818 3.743 5.935 . 0 0 "[ . 1 . 2]" 1
986 1 14 LEU HB2 1 18 GLU HB2 4.000 . 5.000 4.106 2.514 5.048 0.048 9 0 "[ . 1 . 2]" 1
987 1 14 LEU HB2 1 18 GLU HB3 4.000 . 5.000 4.096 2.373 5.059 0.059 5 0 "[ . 1 . 2]" 1
988 1 14 LEU HB3 1 18 GLU HB2 5.000 . 7.000 3.015 2.198 4.806 . 0 0 "[ . 1 . 2]" 1
989 1 14 LEU HB3 1 18 GLU HB3 4.000 . 5.000 3.050 1.958 5.009 0.009 18 0 "[ . 1 . 2]" 1
990 1 14 LEU QD 1 18 GLU QG 5.500 . 7.500 3.174 1.714 4.360 0.086 13 0 "[ . 1 . 2]" 1
991 1 14 LEU QD 1 18 GLU HB2 5.500 . 7.500 3.270 2.511 4.021 . 0 0 "[ . 1 . 2]" 1
992 1 14 LEU HB2 1 19 ALA H 4.000 . 5.000 4.078 3.371 5.095 0.095 5 0 "[ . 1 . 2]" 1
993 1 14 LEU HB2 1 19 ALA MB 4.500 . 5.500 2.916 2.017 4.373 . 0 0 "[ . 1 . 2]" 1
994 1 14 LEU HB3 1 19 ALA MB 4.500 . 5.500 3.390 2.224 5.524 0.024 1 0 "[ . 1 . 2]" 1
995 1 14 LEU QD 1 19 ALA HA 4.500 . 5.500 2.844 1.903 4.776 . 0 0 "[ . 1 . 2]" 1
996 1 15 SER HB2 1 17 PRO HG2 5.000 . 7.000 3.743 2.611 5.472 . 0 0 "[ . 1 . 2]" 1
997 1 15 SER HB2 1 17 PRO HG3 5.000 . 7.000 5.016 3.907 6.863 . 0 0 "[ . 1 . 2]" 1
998 1 15 SER HA 1 18 GLU H 4.000 . 5.000 4.794 4.616 5.017 0.017 6 0 "[ . 1 . 2]" 1
999 1 15 SER HA 1 18 GLU QG 5.000 . 7.000 5.004 4.404 5.820 . 0 0 "[ . 1 . 2]" 1
1000 1 15 SER HB2 1 18 GLU H 5.000 . 7.000 3.160 2.383 4.702 . 0 0 "[ . 1 . 2]" 1
1001 1 15 SER HB2 1 18 GLU HB2 5.000 . 7.000 3.152 2.330 4.485 . 0 0 "[ . 1 . 2]" 1
1002 1 15 SER HB2 1 18 GLU QG 5.000 . 7.000 3.079 1.834 5.509 . 0 0 "[ . 1 . 2]" 1
1003 1 15 SER HB3 1 18 GLU HB2 4.000 . 5.000 4.025 2.438 4.731 . 0 0 "[ . 1 . 2]" 1
1004 1 15 SER HB3 1 18 GLU QG 5.000 . 7.000 3.889 1.890 5.851 . 0 0 "[ . 1 . 2]" 1
1005 1 15 SER H 1 18 GLU H 5.000 . 7.000 4.271 3.734 4.722 . 0 0 "[ . 1 . 2]" 1
1006 1 15 SER H 1 18 GLU HB2 4.000 . 5.000 2.715 1.983 3.197 . 0 0 "[ . 1 . 2]" 1
1007 1 15 SER H 1 18 GLU HB3 4.000 . 5.000 3.630 2.109 4.475 . 0 0 "[ . 1 . 2]" 1
1008 1 15 SER H 1 18 GLU QG 3.500 . 4.000 3.208 2.331 4.040 0.040 6 0 "[ . 1 . 2]" 1
1009 1 15 SER H 1 19 ALA H 5.000 . 7.000 4.334 3.904 4.757 . 0 0 "[ . 1 . 2]" 1
1010 1 16 PHE HA 1 18 GLU H 4.000 . 5.000 4.473 4.281 4.622 . 0 0 "[ . 1 . 2]" 1
1011 1 16 PHE H 1 18 GLU H 5.000 . 7.000 4.230 4.053 4.540 . 0 0 "[ . 1 . 2]" 1
1012 1 16 PHE HA 1 19 ALA H 4.000 . 5.000 3.639 3.351 4.000 . 0 0 "[ . 1 . 2]" 1
1013 1 16 PHE HA 1 19 ALA MB 4.500 . 5.500 2.930 2.472 3.415 . 0 0 "[ . 1 . 2]" 1
1014 1 16 PHE HB3 1 19 ALA MB 5.500 . 7.500 5.400 4.974 5.768 . 0 0 "[ . 1 . 2]" 1
1015 1 16 PHE QD 1 19 ALA MB 6.000 . 8.000 4.339 3.656 5.180 . 0 0 "[ . 1 . 2]" 1
1016 1 16 PHE H 1 19 ALA MB 5.500 . 7.500 4.808 4.474 5.002 . 0 0 "[ . 1 . 2]" 1
1017 1 16 PHE HA 1 20 LEU H 4.000 . 5.000 4.110 3.764 4.477 . 0 0 "[ . 1 . 2]" 1
1018 1 16 PHE QD 1 20 LEU QD 6.000 . 8.000 3.761 3.190 5.032 . 0 0 "[ . 1 . 2]" 1
1019 1 16 PHE QE 1 20 LEU QD 6.000 . 8.000 2.925 2.473 4.379 . 0 0 "[ . 1 . 2]" 1
1020 1 16 PHE HZ 1 20 LEU QD 5.500 . 7.000 3.418 2.488 4.540 . 0 0 "[ . 1 . 2]" 1
1021 1 17 PRO HA 1 20 LEU H 3.500 . 4.000 3.737 3.461 3.958 . 0 0 "[ . 1 . 2]" 1
1022 1 17 PRO HA 1 20 LEU HB2 4.500 . 5.500 3.409 2.952 4.098 . 0 0 "[ . 1 . 2]" 1
1023 1 17 PRO HA 1 20 LEU HB3 4.500 . 5.500 3.234 2.649 5.240 . 0 0 "[ . 1 . 2]" 1
1024 1 17 PRO HA 1 20 LEU QD 4.500 . 5.500 3.381 2.755 4.297 . 0 0 "[ . 1 . 2]" 1
1025 1 17 PRO HB3 1 20 LEU QD 5.000 . 7.000 4.772 4.310 5.658 . 0 0 "[ . 1 . 2]" 1
1026 1 18 GLU H 1 20 LEU H 4.000 . 5.000 4.151 3.960 4.598 . 0 0 "[ . 1 . 2]" 1
1027 1 19 ALA H 1 21 LYS H 5.000 . 7.000 4.282 3.992 4.507 . 0 0 "[ . 1 . 2]" 1
1028 1 19 ALA HA 1 22 ARG H 3.500 . 4.000 3.481 3.175 4.007 0.007 3 0 "[ . 1 . 2]" 1
1029 1 19 ALA HA 1 22 ARG HB3 4.000 . 5.000 3.561 2.252 4.833 . 0 0 "[ . 1 . 2]" 1
1030 1 19 ALA HA 1 22 ARG HG2 4.500 . 5.500 3.805 2.998 4.911 . 0 0 "[ . 1 . 2]" 1
1031 1 19 ALA HA 1 22 ARG HG3 4.500 . 5.500 4.041 3.016 5.351 . 0 0 "[ . 1 . 2]" 1
1032 1 19 ALA H 1 22 ARG H 5.000 . 7.000 4.720 4.558 4.991 . 0 0 "[ . 1 . 2]" 1
1033 1 19 ALA MB 1 23 ALA H 5.500 . 7.500 4.519 4.283 4.829 . 0 0 "[ . 1 . 2]" 1
1034 1 20 LEU H 1 22 ARG HB3 5.000 . 7.000 6.077 4.717 7.060 0.060 2 0 "[ . 1 . 2]" 1
1035 1 20 LEU HA 1 23 ALA H 3.500 . 4.000 3.552 3.061 3.866 . 0 0 "[ . 1 . 2]" 1
1036 1 21 LYS H 1 23 ALA H 5.000 . 7.000 4.192 3.895 4.390 . 0 0 "[ . 1 . 2]" 1
1037 1 21 LYS HA 1 24 GLU H 3.500 . 4.000 3.527 3.276 3.799 . 0 0 "[ . 1 . 2]" 1
1038 1 21 LYS HA 1 24 GLU QB 3.500 . 4.000 2.806 2.304 3.449 . 0 0 "[ . 1 . 2]" 1
1039 1 21 LYS HB3 1 24 GLU H 5.000 . 7.000 5.517 5.285 5.782 . 0 0 "[ . 1 . 2]" 1
1040 1 21 LYS H 1 24 GLU H 4.000 . 5.000 4.801 4.634 4.986 . 0 0 "[ . 1 . 2]" 1
1041 1 21 LYS HA 1 25 VAL H 4.000 . 5.000 4.359 3.948 4.785 . 0 0 "[ . 1 . 2]" 1
1042 1 21 LYS QE 1 25 VAL MG2 5.500 . 7.500 4.206 2.332 5.561 . 0 0 "[ . 1 . 2]" 1
1043 1 21 LYS QG 1 25 VAL H 4.000 . 5.000 4.420 3.758 4.891 . 0 0 "[ . 1 . 2]" 1
1044 1 22 ARG H 1 24 GLU H 4.000 . 5.000 4.160 3.950 4.349 . 0 0 "[ . 1 . 2]" 1
1045 1 22 ARG HA 1 25 VAL H 3.500 . 4.000 3.533 3.289 3.810 . 0 0 "[ . 1 . 2]" 1
1046 1 22 ARG HD2 1 25 VAL MG2 5.500 . 7.500 4.670 2.819 6.341 . 0 0 "[ . 1 . 2]" 1
1047 1 22 ARG HD3 1 25 VAL MG1 5.500 . 7.500 5.223 3.515 6.674 . 0 0 "[ . 1 . 2]" 1
1048 1 22 ARG HD3 1 25 VAL MG2 5.500 . 7.500 4.162 2.437 5.839 . 0 0 "[ . 1 . 2]" 1
1049 1 22 ARG HA 1 26 GLU H 4.000 . 5.000 3.821 3.489 4.425 . 0 0 "[ . 1 . 2]" 1
1050 1 23 ALA H 1 25 VAL MG2 5.500 . 7.500 4.978 4.226 6.822 . 0 0 "[ . 1 . 2]" 1
1051 1 23 ALA HA 1 27 ASP H 4.000 . 5.000 3.459 2.360 4.422 . 0 0 "[ . 1 . 2]" 1
1052 1 23 ALA HA 1 28 LYS H 3.500 . 4.000 3.691 3.023 4.118 0.118 7 0 "[ . 1 . 2]" 1
1053 1 23 ALA HA 1 28 LYS HB3 5.000 . 7.000 5.819 3.167 7.041 0.041 20 0 "[ . 1 . 2]" 1
1054 1 23 ALA MB 1 28 LYS H 5.500 . 7.500 3.746 3.081 4.282 . 0 0 "[ . 1 . 2]" 1
1055 1 24 GLU HA 1 26 GLU H 4.500 . 5.500 4.815 4.228 5.272 . 0 0 "[ . 1 . 2]" 1
1056 1 24 GLU QB 1 26 GLU H 4.000 . 5.000 4.791 4.487 5.054 0.054 20 0 "[ . 1 . 2]" 1
1057 1 24 GLU H 1 26 GLU H 5.000 . 7.000 4.272 3.879 4.682 . 0 0 "[ . 1 . 2]" 1
1058 1 24 GLU HA 1 28 LYS H 5.000 . 7.000 5.365 3.908 6.471 . 0 0 "[ . 1 . 2]" 1
1059 1 25 VAL HA 1 27 ASP H 4.000 . 5.000 4.442 3.743 5.055 0.055 3 0 "[ . 1 . 2]" 1
1060 1 25 VAL MG1 1 27 ASP H 5.500 . 7.500 5.020 4.349 5.660 . 0 0 "[ . 1 . 2]" 1
1061 1 25 VAL MG2 1 27 ASP H 5.500 . 7.500 4.825 4.052 5.545 . 0 0 "[ . 1 . 2]" 1
1062 1 25 VAL H 1 27 ASP H 4.000 . 5.000 3.826 3.631 4.159 . 0 0 "[ . 1 . 2]" 1
1063 1 31 PHE QD 1 33 ASP HA 5.500 . 7.500 5.079 4.651 5.607 . 0 0 "[ . 1 . 2]" 1
1064 1 31 PHE QE 1 33 ASP H 5.500 . 7.500 4.799 4.341 5.418 . 0 0 "[ . 1 . 2]" 1
1065 1 31 PHE QE 1 33 ASP HA 5.500 . 7.500 4.281 3.786 4.881 . 0 0 "[ . 1 . 2]" 1
1066 1 31 PHE QE 1 33 ASP QB 5.500 . 7.500 2.988 2.344 3.766 . 0 0 "[ . 1 . 2]" 1
1067 1 31 PHE HZ 1 33 ASP HA 4.000 . 5.000 4.783 4.139 5.056 0.056 8 0 "[ . 1 . 2]" 1
1068 1 31 PHE HZ 1 33 ASP QB 5.000 . 7.000 4.343 3.800 5.394 . 0 0 "[ . 1 . 2]" 1
1069 1 32 VAL MG2 1 34 CYS H 5.500 . 7.500 6.043 5.707 6.467 . 0 0 "[ . 1 . 2]" 1
1070 1 32 VAL MG2 1 34 CYS HA 5.500 . 7.500 6.617 6.251 7.020 . 0 0 "[ . 1 . 2]" 1
1071 1 35 PHE QE 1 37 THR HB 5.500 . 7.500 5.916 3.856 7.184 . 0 0 "[ . 1 . 2]" 1
1072 1 35 PHE QE 1 37 THR MG 6.000 . 8.000 4.418 3.123 5.957 . 0 0 "[ . 1 . 2]" 1
1073 1 35 PHE HZ 1 37 THR MG 5.500 . 7.500 6.047 4.343 7.557 0.057 20 0 "[ . 1 . 2]" 1
1074 1 36 THR HA 1 38 TRP H 5.000 . 7.000 4.026 3.814 4.404 . 0 0 "[ . 1 . 2]" 1
1075 1 36 THR HB 1 38 TRP H 4.000 . 5.000 2.918 2.255 4.327 . 0 0 "[ . 1 . 2]" 1
1076 1 36 THR MG 1 38 TRP HD1 5.500 . 7.500 4.224 1.762 6.852 0.038 18 0 "[ . 1 . 2]" 1
1077 1 36 THR MG 1 38 TRP HZ2 5.500 . 7.500 6.274 4.683 7.601 0.101 1 0 "[ . 1 . 2]" 1
1078 1 36 THR MG 1 38 TRP HZ3 5.500 . 7.500 5.834 2.119 7.477 . 0 0 "[ . 1 . 2]" 1
1079 1 40 GLY HA2 1 43 LYS HB2 5.000 . 7.000 4.557 2.983 6.920 . 0 0 "[ . 1 . 2]" 1
1080 1 40 GLY HA2 1 43 LYS HB3 5.000 . 7.000 4.755 3.489 6.391 . 0 0 "[ . 1 . 2]" 1
1081 1 40 GLY HA3 1 43 LYS HB3 5.000 . 7.000 5.401 3.156 7.029 0.029 2 0 "[ . 1 . 2]" 1
1082 1 41 PRO HA 1 44 ARG H 4.000 . 5.000 3.475 3.184 3.945 . 0 0 "[ . 1 . 2]" 1
1083 1 41 PRO HA 1 44 ARG HB3 4.000 . 5.000 3.643 2.488 5.039 0.039 4 0 "[ . 1 . 2]" 1
1084 1 41 PRO HA 1 44 ARG HD2 5.000 . 7.000 4.985 2.944 6.162 . 0 0 "[ . 1 . 2]" 1
1085 1 41 PRO HA 1 44 ARG HD3 5.000 . 7.000 4.987 2.666 6.338 . 0 0 "[ . 1 . 2]" 1
1086 1 41 PRO HA 1 44 ARG QD 5.000 . 7.000 4.332 2.536 5.339 . 0 0 "[ . 1 . 2]" 1
1087 1 42 CYS HA 1 45 LEU HB2 4.000 . 5.000 3.213 2.093 5.028 0.028 8 0 "[ . 1 . 2]" 1
1088 1 42 CYS HA 1 45 LEU HB3 5.000 . 7.000 3.670 2.405 5.250 . 0 0 "[ . 1 . 2]" 1
1089 1 42 CYS HA 1 45 LEU QD 5.500 . 7.500 2.839 1.796 3.663 0.004 6 0 "[ . 1 . 2]" 1
1090 1 43 LYS HA 1 46 SER H 3.000 . 3.500 3.302 2.995 3.571 0.071 14 0 "[ . 1 . 2]" 1
1091 1 43 LYS HA 1 47 LYS H 4.000 . 5.000 4.476 3.854 5.050 0.050 6 0 "[ . 1 . 2]" 1
1092 1 44 ARG HD3 1 47 LYS QB 5.000 . 7.000 5.820 3.838 7.013 0.013 7 0 "[ . 1 . 2]" 1
1093 1 44 ARG HA 1 49 VAL H 5.000 . 7.000 6.493 5.017 7.048 0.048 8 0 "[ . 1 . 2]" 1
1094 1 45 LEU HA 1 49 VAL HB 4.500 . 5.500 3.929 2.373 5.623 0.123 17 0 "[ . 1 . 2]" 1
1095 1 45 LEU HA 1 49 VAL MG1 4.500 . 5.500 4.207 2.525 5.299 . 0 0 "[ . 1 . 2]" 1
1096 1 45 LEU HA 1 49 VAL MG2 5.500 . 7.500 3.125 2.164 5.655 . 0 0 "[ . 1 . 2]" 1
1097 1 45 LEU HB3 1 49 VAL HB 5.000 . 7.000 4.358 2.119 6.794 . 0 0 "[ . 1 . 2]" 1
1098 1 45 LEU QD 1 49 VAL H 5.500 . 7.500 3.982 3.355 4.809 . 0 0 "[ . 1 . 2]" 1
1099 1 45 LEU QD 1 49 VAL HA 5.500 . 7.500 4.943 4.445 5.972 . 0 0 "[ . 1 . 2]" 1
1100 1 45 LEU H 1 49 VAL MG1 5.500 . 7.500 6.191 4.664 7.370 . 0 0 "[ . 1 . 2]" 1
1101 1 45 LEU HA 1 50 PHE QD 5.500 . 7.500 4.968 3.901 6.368 . 0 0 "[ . 1 . 2]" 1
1102 1 45 LEU HA 1 50 PHE QE 5.500 . 7.500 5.267 4.479 6.712 . 0 0 "[ . 1 . 2]" 1
1103 1 45 LEU HB2 1 50 PHE QE 5.500 . 7.500 4.305 2.484 6.761 . 0 0 "[ . 1 . 2]" 1
1104 1 45 LEU HB3 1 50 PHE QE 5.500 . 7.500 3.613 2.208 5.489 . 0 0 "[ . 1 . 2]" 1
1105 1 45 LEU QD 1 50 PHE H 5.500 . 7.500 4.871 4.138 5.780 . 0 0 "[ . 1 . 2]" 1
1106 1 45 LEU QD 1 50 PHE QD 6.000 . 8.000 4.113 2.883 5.405 . 0 0 "[ . 1 . 2]" 1
1107 1 45 LEU QD 1 50 PHE QE 6.000 . 8.000 2.986 1.925 4.603 . 0 0 "[ . 1 . 2]" 1
1108 1 46 SER HA 1 50 PHE H 4.000 . 5.000 3.158 2.467 3.817 . 0 0 "[ . 1 . 2]" 1
1109 1 46 SER HA 1 50 PHE QB 3.500 . 4.000 2.378 1.753 3.531 0.047 3 0 "[ . 1 . 2]" 1
1110 1 46 SER HA 1 50 PHE QD 4.500 . 5.500 2.061 1.765 2.762 0.035 17 0 "[ . 1 . 2]" 1
1111 1 46 SER HA 1 50 PHE QE 5.500 . 7.500 3.504 2.569 4.195 . 0 0 "[ . 1 . 2]" 1
1112 1 46 SER HB2 1 50 PHE QD 5.500 . 7.500 4.327 2.776 5.173 . 0 0 "[ . 1 . 2]" 1
1113 1 46 SER HB2 1 50 PHE QE 5.500 . 7.500 5.125 3.386 6.103 . 0 0 "[ . 1 . 2]" 1
1114 1 46 SER HB3 1 50 PHE QD 5.500 . 7.500 3.975 2.365 4.573 . 0 0 "[ . 1 . 2]" 1
1115 1 46 SER HB3 1 50 PHE QE 5.500 . 7.500 5.032 3.105 5.670 . 0 0 "[ . 1 . 2]" 1
1116 1 47 LYS QB 1 49 VAL H 5.000 . 7.000 4.735 4.094 5.176 . 0 0 "[ . 1 . 2]" 1
1117 1 47 LYS H 1 49 VAL H 5.000 . 7.000 4.286 4.037 4.422 . 0 0 "[ . 1 . 2]" 1
1118 1 48 VAL HA 1 50 PHE H 5.000 . 7.000 4.698 4.343 5.359 . 0 0 "[ . 1 . 2]" 1
1119 1 48 VAL HB 1 50 PHE H 5.000 . 7.000 5.283 4.626 5.997 . 0 0 "[ . 1 . 2]" 1
1120 1 48 VAL QG 1 50 PHE H 5.000 . 7.000 4.325 3.855 4.820 . 0 0 "[ . 1 . 2]" 1
1121 1 48 VAL H 1 50 PHE H 4.000 . 5.000 3.791 3.403 4.156 . 0 0 "[ . 1 . 2]" 1
1122 1 48 VAL HA 1 51 LYS H 5.000 . 7.000 4.419 3.916 5.227 . 0 0 "[ . 1 . 2]" 1
1123 1 48 VAL HA 1 51 LYS HB2 4.000 . 5.000 3.960 2.780 5.062 0.062 8 0 "[ . 1 . 2]" 1
1124 1 48 VAL QG 1 51 LYS H 5.000 . 7.000 4.707 4.215 5.415 . 0 0 "[ . 1 . 2]" 1
1125 1 49 VAL HA 1 51 LYS H 4.000 . 5.000 3.672 3.370 4.252 . 0 0 "[ . 1 . 2]" 1
1126 1 49 VAL MG1 1 51 LYS H 5.500 . 7.500 4.474 4.148 5.277 . 0 0 "[ . 1 . 2]" 1
1127 1 49 VAL MG2 1 51 LYS H 5.500 . 7.500 4.931 4.230 5.298 . 0 0 "[ . 1 . 2]" 1
1128 1 49 VAL H 1 51 LYS H 5.000 . 7.000 4.194 3.767 4.828 . 0 0 "[ . 1 . 2]" 1
1129 1 49 VAL HA 1 52 ASP HB2 5.000 . 7.000 4.337 3.755 6.056 . 0 0 "[ . 1 . 2]" 1
1130 1 50 PHE H 1 52 ASP H 4.000 . 5.000 4.501 4.116 4.863 . 0 0 "[ . 1 . 2]" 1
1131 1 50 PHE QD 1 55 VAL MG2 6.000 . 8.000 6.740 4.740 8.003 0.003 7 0 "[ . 1 . 2]" 1
1132 1 50 PHE H 1 55 VAL MG2 5.500 . 7.500 6.648 4.659 7.400 . 0 0 "[ . 1 . 2]" 1
1133 1 52 ASP HA 1 54 LEU H 5.000 . 7.000 3.968 3.644 4.301 . 0 0 "[ . 1 . 2]" 1
1134 1 52 ASP HB2 1 54 LEU H 5.000 . 7.000 4.937 4.708 5.306 . 0 0 "[ . 1 . 2]" 1
1135 1 52 ASP HB3 1 54 LEU QD 5.500 . 7.500 5.408 4.620 5.900 . 0 0 "[ . 1 . 2]" 1
1136 1 52 ASP HB2 1 55 VAL H 4.000 . 5.000 4.414 4.173 4.550 . 0 0 "[ . 1 . 2]" 1
1137 1 52 ASP HB2 1 55 VAL HB 4.000 . 5.000 4.061 3.657 5.183 0.183 13 0 "[ . 1 . 2]" 1
1138 1 52 ASP HB2 1 55 VAL MG1 4.500 . 5.500 4.769 2.966 5.368 . 0 0 "[ . 1 . 2]" 1
1139 1 52 ASP HB2 1 55 VAL MG2 5.500 . 7.500 3.605 2.907 5.431 . 0 0 "[ . 1 . 2]" 1
1140 1 52 ASP HB3 1 55 VAL H 4.000 . 5.000 3.061 2.605 3.339 . 0 0 "[ . 1 . 2]" 1
1141 1 52 ASP HB3 1 55 VAL HB 4.000 . 5.000 2.416 2.014 3.854 . 0 0 "[ . 1 . 2]" 1
1142 1 52 ASP HB3 1 55 VAL MG1 5.500 . 7.500 3.566 1.779 4.041 0.021 19 0 "[ . 1 . 2]" 1
1143 1 52 ASP HB3 1 55 VAL MG2 5.500 . 7.500 2.703 1.687 4.236 0.113 13 0 "[ . 1 . 2]" 1
1144 1 52 ASP H 1 55 VAL H 5.000 . 7.000 5.335 4.871 5.650 . 0 0 "[ . 1 . 2]" 1
1145 1 52 ASP H 1 55 VAL MG2 5.500 . 7.500 4.690 2.871 5.743 . 0 0 "[ . 1 . 2]" 1
1146 1 52 ASP HB2 1 56 ALA H 4.500 . 5.500 5.343 5.035 5.546 0.046 8 0 "[ . 1 . 2]" 1
1147 1 53 SER HA 1 55 VAL H 5.000 . 7.000 4.716 4.474 4.902 . 0 0 "[ . 1 . 2]" 1
1148 1 53 SER HA 1 55 VAL MG1 5.500 . 7.500 6.280 4.720 6.642 . 0 0 "[ . 1 . 2]" 1
1149 1 53 SER HA 1 56 ALA H 4.000 . 5.000 3.668 3.270 4.050 . 0 0 "[ . 1 . 2]" 1
1150 1 53 SER HA 1 56 ALA MB 4.500 . 5.500 2.608 2.158 3.132 . 0 0 "[ . 1 . 2]" 1
1151 1 53 SER HA 1 57 ASP H 4.000 . 5.000 3.973 3.684 4.589 . 0 0 "[ . 1 . 2]" 1
1152 1 54 LEU HA 1 56 ALA H 5.000 . 7.000 4.491 4.196 4.737 . 0 0 "[ . 1 . 2]" 1
1153 1 54 LEU QD 1 57 ASP H 5.500 . 7.500 4.805 4.339 5.323 . 0 0 "[ . 1 . 2]" 1
1154 1 55 VAL MG2 1 57 ASP H 5.500 . 7.500 5.456 4.411 5.659 . 0 0 "[ . 1 . 2]" 1
1155 1 55 VAL HA 1 58 TYR H 4.000 . 5.000 3.543 3.293 3.935 . 0 0 "[ . 1 . 2]" 1
1156 1 55 VAL HA 1 58 TYR HB2 5.000 . 7.000 3.364 2.658 4.259 . 0 0 "[ . 1 . 2]" 1
1157 1 55 VAL HA 1 58 TYR HB3 4.000 . 5.000 2.779 2.361 3.231 . 0 0 "[ . 1 . 2]" 1
1158 1 55 VAL HA 1 58 TYR QD 5.500 . 7.500 4.194 3.691 4.796 . 0 0 "[ . 1 . 2]" 1
1159 1 55 VAL HA 1 59 PHE QD 5.500 . 7.500 3.968 3.136 5.590 . 0 0 "[ . 1 . 2]" 1
1160 1 55 VAL HA 1 59 PHE QE 5.500 . 7.500 4.657 3.709 7.550 0.050 11 0 "[ . 1 . 2]" 1
1161 1 55 VAL MG1 1 59 PHE QD 6.000 . 8.000 2.711 2.011 4.380 . 0 0 "[ . 1 . 2]" 1
1162 1 55 VAL MG2 1 59 PHE HB2 5.500 . 7.500 5.989 4.299 6.617 . 0 0 "[ . 1 . 2]" 1
1163 1 55 VAL MG2 1 59 PHE QD 6.000 . 8.000 4.585 2.330 5.839 . 0 0 "[ . 1 . 2]" 1
1164 1 55 VAL MG2 1 59 PHE QE 6.000 . 8.000 4.347 2.197 7.186 . 0 0 "[ . 1 . 2]" 1
1165 1 56 ALA MB 1 58 TYR H 5.500 . 7.500 4.461 4.236 4.678 . 0 0 "[ . 1 . 2]" 1
1166 1 56 ALA HA 1 59 PHE H 4.000 . 5.000 3.811 3.481 4.112 . 0 0 "[ . 1 . 2]" 1
1167 1 56 ALA HA 1 59 PHE HB2 4.000 . 5.000 3.394 2.751 4.249 . 0 0 "[ . 1 . 2]" 1
1168 1 56 ALA HA 1 59 PHE HB3 5.000 . 7.000 4.733 3.101 5.418 . 0 0 "[ . 1 . 2]" 1
1169 1 56 ALA HA 1 59 PHE QD 5.500 . 7.500 3.957 3.163 4.688 . 0 0 "[ . 1 . 2]" 1
1170 1 56 ALA MB 1 59 PHE HB2 5.500 . 7.500 4.803 4.247 5.524 . 0 0 "[ . 1 . 2]" 1
1171 1 56 ALA H 1 59 PHE QD 5.500 . 7.500 5.137 4.667 6.612 . 0 0 "[ . 1 . 2]" 1
1172 1 56 ALA HA 1 60 ASN H 5.000 . 7.000 3.994 3.764 4.296 . 0 0 "[ . 1 . 2]" 1
1173 1 56 ALA MB 1 60 ASN H 5.500 . 7.500 4.577 4.384 4.912 . 0 0 "[ . 1 . 2]" 1
1174 1 56 ALA MB 1 60 ASN HB3 5.500 . 7.500 4.970 4.366 5.967 . 0 0 "[ . 1 . 2]" 1
1175 1 56 ALA MB 1 60 ASN HD21 5.500 . 7.500 4.828 2.856 6.606 . 0 0 "[ . 1 . 2]" 1
1176 1 56 ALA MB 1 60 ASN HD22 5.500 . 7.500 5.346 2.553 7.049 . 0 0 "[ . 1 . 2]" 1
1177 1 57 ASP H 1 59 PHE H 5.000 . 7.000 4.403 4.029 4.669 . 0 0 "[ . 1 . 2]" 1
1178 1 57 ASP HA 1 60 ASN H 4.000 . 5.000 3.653 3.224 3.975 . 0 0 "[ . 1 . 2]" 1
1179 1 57 ASP HA 1 60 ASN HB2 4.000 . 5.000 3.453 2.544 4.722 . 0 0 "[ . 1 . 2]" 1
1180 1 57 ASP HA 1 60 ASN HB3 4.000 . 5.000 3.326 2.125 4.611 . 0 0 "[ . 1 . 2]" 1
1181 1 57 ASP HA 1 60 ASN HD21 5.000 . 7.000 4.717 2.886 6.386 . 0 0 "[ . 1 . 2]" 1
1182 1 57 ASP HA 1 60 ASN HD22 5.000 . 7.000 5.784 4.387 6.913 . 0 0 "[ . 1 . 2]" 1
1183 1 57 ASP HA 1 61 ARG H 5.000 . 7.000 3.888 3.521 4.415 . 0 0 "[ . 1 . 2]" 1
1184 1 58 TYR HA 1 60 ASN H 5.000 . 7.000 4.686 4.340 5.106 . 0 0 "[ . 1 . 2]" 1
1185 1 58 TYR H 1 60 ASN H 5.000 . 7.000 4.176 3.846 4.376 . 0 0 "[ . 1 . 2]" 1
1186 1 58 TYR HA 1 61 ARG HB2 4.000 . 5.000 4.235 3.178 5.104 0.104 6 0 "[ . 1 . 2]" 1
1187 1 58 TYR HA 1 62 HIS HD2 3.500 . 4.000 2.749 1.960 3.513 . 0 0 "[ . 1 . 2]" 1
1188 1 58 TYR HA 1 62 HIS HE1 5.000 . 7.000 6.188 5.091 7.043 0.043 3 0 "[ . 1 . 2]" 1
1189 1 58 TYR QD 1 62 HIS HD2 5.500 . 7.500 3.731 2.746 4.731 . 0 0 "[ . 1 . 2]" 1
1190 1 58 TYR QD 1 62 HIS HE1 5.500 . 7.500 5.200 3.688 7.126 . 0 0 "[ . 1 . 2]" 1
1191 1 58 TYR QE 1 62 HIS HB2 5.500 . 7.500 4.593 3.830 5.213 . 0 0 "[ . 1 . 2]" 1
1192 1 58 TYR QE 1 62 HIS HB3 5.500 . 7.500 5.078 4.138 5.763 . 0 0 "[ . 1 . 2]" 1
1193 1 58 TYR QE 1 62 HIS HD2 5.500 . 7.500 4.568 3.723 5.758 . 0 0 "[ . 1 . 2]" 1
1194 1 58 TYR QE 1 63 PHE QE 5.000 . 7.000 3.383 2.212 5.050 . 0 0 "[ . 1 . 2]" 1
1195 1 59 PHE HA 1 61 ARG H 4.000 . 5.000 4.355 3.986 4.859 . 0 0 "[ . 1 . 2]" 1
1196 1 59 PHE HA 1 62 HIS HB2 5.000 . 7.000 3.470 2.985 3.925 . 0 0 "[ . 1 . 2]" 1
1197 1 59 PHE HA 1 62 HIS HB3 5.000 . 7.000 5.007 4.433 5.568 . 0 0 "[ . 1 . 2]" 1
1198 1 59 PHE H 1 62 HIS H 5.000 . 7.000 4.855 4.723 5.058 . 0 0 "[ . 1 . 2]" 1
1199 1 59 PHE HA 1 63 PHE HA 5.000 . 7.000 5.891 5.335 6.559 . 0 0 "[ . 1 . 2]" 1
1200 1 59 PHE HA 1 63 PHE HB3 5.000 . 7.000 5.320 4.655 6.210 . 0 0 "[ . 1 . 2]" 1
1201 1 59 PHE HA 1 63 PHE QD 4.500 . 5.500 2.442 1.761 4.237 0.039 19 0 "[ . 1 . 2]" 1
1202 1 59 PHE HB2 1 63 PHE QD 5.500 . 7.500 4.989 4.106 6.268 . 0 0 "[ . 1 . 2]" 1
1203 1 59 PHE HB3 1 63 PHE QD 5.500 . 7.500 4.092 3.320 5.434 . 0 0 "[ . 1 . 2]" 1
1204 1 59 PHE QD 1 63 PHE QD 6.000 . 8.000 3.257 2.222 4.727 . 0 0 "[ . 1 . 2]" 1
1205 1 59 PHE QE 1 63 PHE QD 6.000 . 8.000 4.565 3.881 6.022 . 0 0 "[ . 1 . 2]" 1
1206 1 59 PHE H 1 63 PHE QD 5.500 . 7.500 5.150 4.431 6.423 . 0 0 "[ . 1 . 2]" 1
1207 1 60 ASN H 1 62 HIS H 5.000 . 7.000 4.239 4.036 4.495 . 0 0 "[ . 1 . 2]" 1
1208 1 60 ASN HA 1 63 PHE H 5.000 . 7.000 4.141 3.589 4.498 . 0 0 "[ . 1 . 2]" 1
1209 1 60 ASN HA 1 65 ASN HD21 4.000 . 5.000 2.945 2.030 4.161 . 0 0 "[ . 1 . 2]" 1
1210 1 60 ASN HA 1 65 ASN HD22 3.500 . 4.000 2.440 1.776 3.704 0.024 19 0 "[ . 1 . 2]" 1
1211 1 60 ASN H 1 65 ASN HD21 5.000 . 7.000 5.005 4.110 6.413 . 0 0 "[ . 1 . 2]" 1
1212 1 61 ARG H 1 63 PHE H 4.000 . 5.000 3.911 3.759 4.118 . 0 0 "[ . 1 . 2]" 1
1213 1 63 PHE H 1 65 ASN HD21 5.000 . 7.000 5.180 4.138 6.548 . 0 0 "[ . 1 . 2]" 1
1214 1 63 PHE H 1 65 ASN HD22 5.000 . 7.000 4.625 3.726 7.040 0.040 1 0 "[ . 1 . 2]" 1
1215 1 64 VAL QG 1 66 LEU HB2 4.000 . 5.000 3.287 2.712 4.042 . 0 0 "[ . 1 . 2]" 1
1216 1 64 VAL QG 1 66 LEU HB3 4.000 . 5.000 4.330 3.553 4.739 . 0 0 "[ . 1 . 2]" 1
1217 1 66 LEU QD 1 68 MET ME 6.000 . 8.000 3.042 1.733 4.868 0.067 18 0 "[ . 1 . 2]" 1
1218 1 66 LEU QD 1 68 MET HB2 5.500 . 7.500 3.749 3.055 4.465 . 0 0 "[ . 1 . 2]" 1
1219 1 66 LEU QD 1 68 MET HB3 5.500 . 7.500 4.490 4.068 4.968 . 0 0 "[ . 1 . 2]" 1
1220 1 69 ASP HA 1 71 GLU H 5.000 . 7.000 3.837 3.549 4.296 . 0 0 "[ . 1 . 2]" 1
1221 1 69 ASP HB2 1 72 LYS H 4.500 . 5.500 3.877 2.126 5.513 0.013 13 0 "[ . 1 . 2]" 1
1222 1 69 ASP HB2 1 72 LYS HB2 4.000 . 5.000 3.228 1.768 4.932 0.032 12 0 "[ . 1 . 2]" 1
1223 1 69 ASP HB2 1 72 LYS HB3 4.000 . 5.000 3.772 1.770 5.027 0.030 16 0 "[ . 1 . 2]" 1
1224 1 70 MET H 1 72 LYS H 5.000 . 7.000 4.394 3.248 6.447 . 0 0 "[ . 1 . 2]" 1
1225 1 70 MET HA 1 75 GLY H 4.500 . 5.500 4.894 4.237 5.583 0.083 13 0 "[ . 1 . 2]" 1
1226 1 70 MET HA 1 75 GLY HA2 3.500 . 4.000 3.401 2.439 4.064 0.064 14 0 "[ . 1 . 2]" 1
1227 1 70 MET HA 1 75 GLY HA3 3.500 . 4.000 2.671 2.034 3.362 . 0 0 "[ . 1 . 2]" 1
1228 1 70 MET ME 1 75 GLY HA3 5.500 . 7.500 5.904 5.172 6.984 . 0 0 "[ . 1 . 2]" 1
1229 1 71 GLU HA 1 76 VAL MG1 4.500 . 5.500 4.041 2.110 5.381 . 0 0 "[ . 1 . 2]" 1
1230 1 72 LYS HB3 1 75 GLY H 5.000 . 7.000 4.785 2.194 6.171 . 0 0 "[ . 1 . 2]" 1
1231 1 72 LYS H 1 75 GLY H 5.000 . 7.000 4.153 3.109 5.353 . 0 0 "[ . 1 . 2]" 1
1232 1 72 LYS H 1 75 GLY HA2 5.000 . 7.000 5.308 3.415 6.599 . 0 0 "[ . 1 . 2]" 1
1233 1 72 LYS H 1 75 GLY HA3 4.000 . 5.000 3.671 1.996 4.845 . 0 0 "[ . 1 . 2]" 1
1234 1 72 LYS HA 1 76 VAL MG1 4.500 . 5.500 5.187 4.554 5.613 0.113 12 0 "[ . 1 . 2]" 1
1235 1 72 LYS H 1 76 VAL MG1 5.500 . 7.500 4.918 3.880 6.354 . 0 0 "[ . 1 . 2]" 1
1236 1 73 GLY HA2 1 75 GLY H 5.000 . 7.000 4.238 3.864 4.563 . 0 0 "[ . 1 . 2]" 1
1237 1 73 GLY HA3 1 75 GLY H 5.000 . 7.000 3.756 3.026 4.684 . 0 0 "[ . 1 . 2]" 1
1238 1 73 GLY HA2 1 76 VAL MG1 5.500 . 7.500 5.427 2.515 7.251 . 0 0 "[ . 1 . 2]" 1
1239 1 73 GLY HA3 1 76 VAL MG1 5.500 . 7.500 5.938 3.865 7.356 . 0 0 "[ . 1 . 2]" 1
1240 1 74 GLU HA 1 76 VAL H 4.000 . 5.000 3.829 3.404 4.505 . 0 0 "[ . 1 . 2]" 1
1241 1 74 GLU HB2 1 77 GLU H 4.500 . 5.500 5.031 3.752 5.622 0.122 8 0 "[ . 1 . 2]" 1
1242 1 74 GLU HA 1 78 LEU H 5.000 . 7.000 4.809 4.075 5.787 . 0 0 "[ . 1 . 2]" 1
1243 1 74 GLU QG 1 78 LEU QD 5.500 . 7.500 4.109 2.351 5.612 . 0 0 "[ . 1 . 2]" 1
1244 1 75 GLY H 1 77 GLU H 5.000 . 7.000 4.178 3.924 4.567 . 0 0 "[ . 1 . 2]" 1
1245 1 75 GLY HA2 1 78 LEU H 4.000 . 5.000 3.474 3.142 3.771 . 0 0 "[ . 1 . 2]" 1
1246 1 75 GLY HA2 1 78 LEU HB2 4.000 . 5.000 2.988 2.512 3.590 . 0 0 "[ . 1 . 2]" 1
1247 1 75 GLY HA2 1 78 LEU HB3 5.000 . 7.000 4.623 3.960 5.275 . 0 0 "[ . 1 . 2]" 1
1248 1 75 GLY HA2 1 78 LEU QD 5.500 . 7.500 2.795 1.841 3.516 . 0 0 "[ . 1 . 2]" 1
1249 1 75 GLY HA3 1 78 LEU H 5.000 . 7.000 4.734 4.441 4.979 . 0 0 "[ . 1 . 2]" 1
1250 1 75 GLY HA3 1 78 LEU HB2 4.000 . 5.000 4.485 3.935 5.044 0.044 8 0 "[ . 1 . 2]" 1
1251 1 75 GLY HA3 1 78 LEU HB3 5.000 . 7.000 6.165 5.523 6.780 . 0 0 "[ . 1 . 2]" 1
1252 1 75 GLY HA3 1 78 LEU QD 5.500 . 7.500 4.207 3.181 4.935 . 0 0 "[ . 1 . 2]" 1
1253 1 75 GLY H 1 78 LEU HB2 5.000 . 7.000 5.558 5.193 6.113 . 0 0 "[ . 1 . 2]" 1
1254 1 75 GLY H 1 78 LEU QD 5.500 . 7.500 4.505 3.849 5.423 . 0 0 "[ . 1 . 2]" 1
1255 1 76 VAL MG2 1 78 LEU H 5.500 . 7.500 4.908 4.299 5.365 . 0 0 "[ . 1 . 2]" 1
1256 1 76 VAL H 1 78 LEU H 5.000 . 7.000 4.335 4.029 4.590 . 0 0 "[ . 1 . 2]" 1
1257 1 76 VAL HA 1 79 ARG H 3.500 . 4.000 3.449 3.155 3.760 . 0 0 "[ . 1 . 2]" 1
1258 1 76 VAL HA 1 79 ARG HB2 3.500 . 4.000 3.017 2.012 3.606 . 0 0 "[ . 1 . 2]" 1
1259 1 76 VAL HA 1 79 ARG HB3 4.000 . 5.000 2.728 2.231 3.518 . 0 0 "[ . 1 . 2]" 1
1260 1 76 VAL HA 1 79 ARG QD 5.000 . 7.000 3.497 1.952 4.409 . 0 0 "[ . 1 . 2]" 1
1261 1 76 VAL MG1 1 79 ARG H 5.500 . 7.500 5.088 4.863 5.391 . 0 0 "[ . 1 . 2]" 1
1262 1 76 VAL HA 1 80 LYS QD 5.000 . 7.000 6.337 4.123 7.091 0.091 5 0 "[ . 1 . 2]" 1
1263 1 76 VAL MG2 1 80 LYS H 5.500 . 7.500 4.619 3.870 5.399 . 0 0 "[ . 1 . 2]" 1
1264 1 77 GLU HA 1 79 ARG H 4.000 . 5.000 4.359 4.103 4.557 . 0 0 "[ . 1 . 2]" 1
1265 1 77 GLU H 1 79 ARG H 5.000 . 7.000 3.904 3.689 4.109 . 0 0 "[ . 1 . 2]" 1
1266 1 78 LEU HA 1 80 LYS H 5.000 . 7.000 4.407 4.162 4.605 . 0 0 "[ . 1 . 2]" 1
1267 1 78 LEU H 1 80 LYS H 4.000 . 5.000 4.307 4.050 4.515 . 0 0 "[ . 1 . 2]" 1
1268 1 78 LEU HA 1 81 LYS HB3 3.000 . 3.500 2.461 1.781 3.594 0.094 12 0 "[ . 1 . 2]" 1
1269 1 78 LEU QD 1 81 LYS H 5.500 . 7.500 4.691 4.400 5.051 . 0 0 "[ . 1 . 2]" 1
1270 1 78 LEU QD 1 81 LYS HB2 5.500 . 7.500 3.881 3.140 4.712 . 0 0 "[ . 1 . 2]" 1
1271 1 78 LEU QD 1 81 LYS HB3 5.500 . 7.500 3.644 3.026 4.543 . 0 0 "[ . 1 . 2]" 1
1272 1 78 LEU QD 1 81 LYS HD2 5.500 . 7.500 4.074 1.839 6.395 . 0 0 "[ . 1 . 2]" 1
1273 1 78 LEU QD 1 81 LYS HD3 5.500 . 7.500 3.958 2.256 6.538 . 0 0 "[ . 1 . 2]" 1
1274 1 78 LEU H 1 81 LYS H 5.000 . 7.000 4.595 4.522 4.773 . 0 0 "[ . 1 . 2]" 1
1275 1 78 LEU HA 1 82 TYR QD 5.500 . 7.500 2.981 1.963 4.282 . 0 0 "[ . 1 . 2]" 1
1276 1 78 LEU HA 1 82 TYR QE 5.500 . 7.500 3.165 2.597 4.033 . 0 0 "[ . 1 . 2]" 1
1277 1 78 LEU HB2 1 82 TYR QD 5.500 . 7.500 4.236 3.727 4.859 . 0 0 "[ . 1 . 2]" 1
1278 1 78 LEU HB2 1 82 TYR QE 5.500 . 7.500 4.559 3.822 5.392 . 0 0 "[ . 1 . 2]" 1
1279 1 78 LEU HB3 1 82 TYR QD 5.500 . 7.500 2.789 2.207 3.287 . 0 0 "[ . 1 . 2]" 1
1280 1 78 LEU HB3 1 82 TYR QE 4.500 . 5.500 3.024 2.135 4.115 . 0 0 "[ . 1 . 2]" 1
1281 1 78 LEU QD 1 82 TYR QE 6.000 . 8.000 2.033 1.762 2.889 0.038 6 0 "[ . 1 . 2]" 1
1282 1 78 LEU QD 1 82 TYR QD 6.000 . 7.500 3.328 2.672 3.916 . 0 0 "[ . 1 . 2]" 1
1283 1 78 LEU HG 1 82 TYR QE 5.500 . 7.500 4.229 1.937 5.050 . 0 0 "[ . 1 . 2]" 1
1284 1 79 ARG HB2 1 81 LYS H 4.500 . 5.500 5.495 4.968 5.645 0.145 1 0 "[ . 1 . 2]" 1
1285 1 79 ARG H 1 81 LYS H 4.000 . 5.000 3.884 3.796 4.031 . 0 0 "[ . 1 . 2]" 1
1286 1 79 ARG HA 1 82 TYR H 4.000 . 5.000 3.997 3.757 4.207 . 0 0 "[ . 1 . 2]" 1
1287 1 79 ARG HB2 1 82 TYR QD 5.500 . 7.500 6.372 5.874 6.834 . 0 0 "[ . 1 . 2]" 1
1288 1 79 ARG HA 1 84 VAL QG 4.000 . 5.000 2.509 1.862 4.029 . 0 0 "[ . 1 . 2]" 1
1289 1 79 ARG QB 1 84 VAL H 5.000 . 7.000 4.920 3.988 5.994 . 0 0 "[ . 1 . 2]" 1
1290 1 79 ARG HD2 1 84 VAL H 5.000 . 7.000 6.171 5.142 7.152 0.152 19 0 "[ . 1 . 2]" 1
1291 1 79 ARG HG2 1 84 VAL H 4.000 . 5.000 3.983 3.340 4.868 . 0 0 "[ . 1 . 2]" 1
1292 1 79 ARG HG3 1 84 VAL H 4.000 . 5.000 4.116 3.285 5.136 0.136 12 0 "[ . 1 . 2]" 1
1293 1 80 LYS HA 1 82 TYR H 5.000 . 7.000 4.543 4.084 4.903 . 0 0 "[ . 1 . 2]" 1
1294 1 80 LYS HA 1 83 GLY H 4.000 . 5.000 3.644 3.117 4.270 . 0 0 "[ . 1 . 2]" 1
1295 1 80 LYS HA 1 84 VAL H 5.000 . 7.000 4.460 3.979 5.743 . 0 0 "[ . 1 . 2]" 1
1296 1 81 LYS HB2 1 83 GLY H 5.000 . 7.000 5.361 4.543 5.688 . 0 0 "[ . 1 . 2]" 1
1297 1 81 LYS H 1 83 GLY H 5.000 . 7.000 3.767 3.609 4.005 . 0 0 "[ . 1 . 2]" 1
1298 1 82 TYR HB2 1 84 VAL QG 5.000 . 7.000 3.383 2.106 6.120 . 0 0 "[ . 1 . 2]" 1
1299 1 83 GLY HA2 1 85 HIS HD2 5.000 . 7.000 5.623 3.676 7.031 0.031 15 0 "[ . 1 . 2]" 1
1300 1 83 GLY HA2 1 85 HIS HE1 5.000 . 7.000 5.216 3.603 6.749 . 0 0 "[ . 1 . 2]" 1
1301 1 83 GLY HA3 1 85 HIS HD2 5.000 . 7.000 5.780 3.243 7.034 0.034 13 0 "[ . 1 . 2]" 1
1302 1 83 GLY HA3 1 85 HIS HE1 5.000 . 7.000 4.958 3.169 6.982 . 0 0 "[ . 1 . 2]" 1
1303 1 84 VAL HA 1 86 ALA H 4.000 . 5.000 3.832 3.247 5.097 0.097 15 0 "[ . 1 . 2]" 1
1304 1 84 VAL QG 1 86 ALA H 4.000 . 5.000 3.025 1.794 4.301 0.006 10 0 "[ . 1 . 2]" 1
1305 1 84 VAL MG2 1 87 TYR QD 6.000 . 8.000 6.621 5.303 8.121 0.121 13 0 "[ . 1 . 2]" 1
1306 1 86 ALA H 1 89 THR HG1 4.500 . 5.500 4.603 3.803 5.518 0.018 8 0 "[ . 1 . 2]" 1
1307 1 88 PRO HB2 1 90 LEU QD 5.500 . 7.500 3.480 2.639 4.253 . 0 0 "[ . 1 . 2]" 1
1308 1 88 PRO HB3 1 90 LEU QD 5.500 . 7.500 4.440 3.830 5.163 . 0 0 "[ . 1 . 2]" 1
1309 1 90 LEU HB2 1 92 PHE QE 5.500 . 7.500 3.458 2.540 4.384 . 0 0 "[ . 1 . 2]" 1
1310 1 90 LEU HB3 1 92 PHE QE 5.500 . 7.500 3.433 2.627 4.024 . 0 0 "[ . 1 . 2]" 1
1311 1 90 LEU QD 1 92 PHE QE 6.000 . 8.000 3.618 2.997 4.465 . 0 0 "[ . 1 . 2]" 1
1312 1 90 LEU HG 1 92 PHE QE 5.500 . 7.500 5.263 4.276 6.154 . 0 0 "[ . 1 . 2]" 1
1313 1 91 LEU HA 1 93 ILE MD 5.500 . 7.500 5.226 3.597 6.884 . 0 0 "[ . 1 . 2]" 1
1314 1 91 LEU HB3 1 93 ILE HG13 5.000 . 7.000 4.155 2.612 7.031 0.031 17 0 "[ . 1 . 2]" 1
1315 1 91 LEU QD 1 93 ILE MD 6.000 . 8.000 3.070 1.916 5.055 . 0 0 "[ . 1 . 2]" 1
1316 1 91 LEU QD 1 93 ILE MG 6.000 . 8.000 4.940 2.956 5.938 . 0 0 "[ . 1 . 2]" 1
1317 1 93 ILE MG 1 96 SER H 5.500 . 7.500 4.920 4.335 6.066 . 0 0 "[ . 1 . 2]" 1
1318 1 93 ILE MD 1 97 GLY HA3 5.500 . 7.500 5.141 2.972 6.781 . 0 0 "[ . 1 . 2]" 1
1319 1 93 ILE MG 1 97 GLY H 4.500 . 5.500 3.399 2.914 4.709 . 0 0 "[ . 1 . 2]" 1
1320 1 93 ILE MG 1 97 GLY HA2 4.500 . 5.500 2.664 1.901 4.093 . 0 0 "[ . 1 . 2]" 1
1321 1 93 ILE MG 1 97 GLY HA3 4.500 . 5.500 4.022 3.341 5.561 0.061 1 0 "[ . 1 . 2]" 1
1322 1 93 ILE HA 1 98 GLU H 5.000 . 7.000 4.753 3.910 5.943 . 0 0 "[ . 1 . 2]" 1
1323 1 93 ILE MG 1 98 GLU H 5.500 . 7.500 3.445 2.130 5.255 . 0 0 "[ . 1 . 2]" 1
1324 1 94 ASN HA 1 96 SER H 5.000 . 7.000 4.268 3.937 4.847 . 0 0 "[ . 1 . 2]" 1
1325 1 94 ASN HB2 1 96 SER H 3.500 . 4.000 3.202 2.761 4.096 0.096 11 0 "[ . 1 . 2]" 1
1326 1 94 ASN HB2 1 96 SER HA 5.000 . 7.000 5.856 5.048 6.875 . 0 0 "[ . 1 . 2]" 1
1327 1 94 ASN HB3 1 96 SER H 5.000 . 7.000 3.579 2.379 4.417 . 0 0 "[ . 1 . 2]" 1
1328 1 94 ASN HB3 1 96 SER HA 5.000 . 7.000 6.333 4.974 7.168 0.168 16 0 "[ . 1 . 2]" 1
1329 1 94 ASN H 1 96 SER H 5.000 . 7.000 4.612 4.330 5.364 . 0 0 "[ . 1 . 2]" 1
1330 1 94 ASN HB2 1 98 GLU QB 5.000 . 7.000 4.597 1.791 6.971 0.009 13 0 "[ . 1 . 2]" 1
1331 1 94 ASN HB3 1 98 GLU QB 5.000 . 7.000 4.795 2.151 6.699 . 0 0 "[ . 1 . 2]" 1
1332 1 94 ASN HD21 1 98 GLU H 5.000 . 7.000 4.304 3.025 5.635 . 0 0 "[ . 1 . 2]" 1
1333 1 94 ASN HD21 1 98 GLU QB 4.000 . 5.000 3.539 1.783 5.081 0.081 10 0 "[ . 1 . 2]" 1
1334 1 94 ASN HD21 1 98 GLU QG 5.000 . 7.000 4.220 2.095 5.820 . 0 0 "[ . 1 . 2]" 1
1335 1 94 ASN HD22 1 98 GLU H 5.000 . 7.000 4.372 2.112 7.038 0.038 8 0 "[ . 1 . 2]" 1
1336 1 94 ASN HD22 1 98 GLU QB 4.500 . 5.500 3.399 1.945 5.110 . 0 0 "[ . 1 . 2]" 1
1337 1 94 ASN HD22 1 98 GLU QG 4.000 . 5.000 3.983 1.706 5.080 0.094 10 0 "[ . 1 . 2]" 1
1338 1 94 ASN H 1 98 GLU H 4.000 . 5.000 3.343 2.394 4.816 . 0 0 "[ . 1 . 2]" 1
1339 1 94 ASN H 1 99 VAL HA 4.000 . 5.000 3.704 3.094 4.814 . 0 0 "[ . 1 . 2]" 1
1340 1 95 SER HA 1 97 GLY H 3.500 . 4.000 3.662 3.399 3.995 . 0 0 "[ . 1 . 2]" 1
1341 1 96 SER HB3 1 98 GLU H 5.000 . 7.000 4.122 2.838 6.013 . 0 0 "[ . 1 . 2]" 1
1342 1 96 SER H 1 98 GLU H 5.000 . 7.000 3.905 3.226 6.055 . 0 0 "[ . 1 . 2]" 1
1343 1 99 VAL HA 1 101 TYR H 4.000 . 5.000 3.916 3.509 4.300 . 0 0 "[ . 1 . 2]" 1
1344 1 99 VAL MG2 1 101 TYR H 4.500 . 5.500 4.168 1.930 5.525 0.025 13 0 "[ . 1 . 2]" 1
1345 1 99 VAL MG1 1 102 ARG HD2 5.000 . 7.000 4.611 3.269 6.572 . 0 0 "[ . 1 . 2]" 1
1346 1 99 VAL MG1 1 102 ARG HD3 4.500 . 5.500 4.416 2.583 5.353 . 0 0 "[ . 1 . 2]" 1
1347 1 99 VAL MG2 1 102 ARG H 5.500 . 7.500 5.327 3.704 6.754 . 0 0 "[ . 1 . 2]" 1
1348 1 99 VAL MG2 1 102 ARG HA 5.500 . 7.500 5.043 2.882 6.336 . 0 0 "[ . 1 . 2]" 1
1349 1 99 VAL MG2 1 102 ARG HD2 5.500 . 7.500 5.111 3.335 7.422 . 0 0 "[ . 1 . 2]" 1
1350 1 99 VAL MG2 1 102 ARG HD3 5.500 . 7.500 4.891 2.064 7.417 . 0 0 "[ . 1 . 2]" 1
1351 1 99 VAL QG 1 102 ARG HA 5.000 . 7.000 3.927 2.841 5.050 . 0 0 "[ . 1 . 2]" 1
1352 1 99 VAL QG 1 102 ARG QB 4.000 . 5.000 3.367 2.385 4.661 . 0 0 "[ . 1 . 2]" 1
1353 1 101 TYR QD 1 103 LEU H 5.500 . 7.500 4.415 3.890 5.014 . 0 0 "[ . 1 . 2]" 1
1354 1 101 TYR QE 1 103 LEU HA 5.500 . 7.500 3.590 2.890 5.726 . 0 0 "[ . 1 . 2]" 1
1355 1 101 TYR QE 1 103 LEU HB3 4.500 . 5.500 4.245 3.511 5.505 0.005 6 0 "[ . 1 . 2]" 1
1356 1 101 TYR QE 1 103 LEU QD 6.000 . 7.000 2.182 1.774 3.331 0.026 2 0 "[ . 1 . 2]" 1
1357 1 101 TYR QE 1 103 LEU HG 5.500 . 7.500 4.409 2.458 6.096 . 0 0 "[ . 1 . 2]" 1
1358 1 103 LEU QD 1 105 GLY H 5.500 . 7.500 4.301 3.097 5.123 . 0 0 "[ . 1 . 2]" 1
1359 1 103 LEU QD 1 105 GLY HA2 5.500 . 7.500 5.080 4.120 5.756 . 0 0 "[ . 1 . 2]" 1
1360 1 103 LEU QD 1 105 GLY HA3 5.500 . 7.500 4.359 3.117 4.877 . 0 0 "[ . 1 . 2]" 1
1361 1 103 LEU HG 1 105 GLY H 5.000 . 7.000 4.695 3.613 6.981 . 0 0 "[ . 1 . 2]" 1
1362 1 103 LEU QD 1 106 ALA HA 5.500 . 7.500 3.569 3.024 4.533 . 0 0 "[ . 1 . 2]" 1
1363 1 104 VAL MG1 1 106 ALA H 5.500 . 7.500 6.361 5.598 7.360 . 0 0 "[ . 1 . 2]" 1
1364 1 107 GLU HB2 1 111 GLU H 4.000 . 5.000 4.629 4.011 5.051 0.051 13 0 "[ . 1 . 2]" 1
1365 1 107 GLU HB2 1 112 LEU HA 4.000 . 5.000 3.141 2.227 3.895 . 0 0 "[ . 1 . 2]" 1
1366 1 107 GLU HB3 1 112 LEU HA 4.500 . 5.500 4.718 3.716 5.513 0.013 7 0 "[ . 1 . 2]" 1
1367 1 107 GLU H 1 112 LEU QD 5.500 . 7.500 2.280 1.754 3.340 0.046 2 0 "[ . 1 . 2]" 1
1368 1 108 ASP HA 1 110 PRO HD2 4.000 . 5.000 4.327 4.056 4.572 . 0 0 "[ . 1 . 2]" 1
1369 1 108 ASP HA 1 110 PRO HD3 5.000 . 7.000 5.078 4.836 5.670 . 0 0 "[ . 1 . 2]" 1
1370 1 108 ASP HB3 1 110 PRO HD2 3.500 . 4.000 2.741 1.782 4.104 0.104 20 0 "[ . 1 . 2]" 1
1371 1 108 ASP HB3 1 110 PRO HD3 4.000 . 5.000 3.825 3.163 5.044 0.044 8 0 "[ . 1 . 2]" 1
1372 1 108 ASP HB2 1 111 GLU H 5.000 . 7.000 3.964 2.508 5.003 . 0 0 "[ . 1 . 2]" 1
1373 1 108 ASP HB3 1 111 GLU H 5.000 . 7.000 4.042 2.975 5.620 . 0 0 "[ . 1 . 2]" 1
1374 1 108 ASP H 1 111 GLU H 5.000 . 7.000 4.388 4.119 4.704 . 0 0 "[ . 1 . 2]" 1
1375 1 108 ASP H 1 111 GLU HB3 5.000 . 7.000 3.893 2.715 5.050 . 0 0 "[ . 1 . 2]" 1
1376 1 109 ALA HA 1 112 LEU QD 5.500 . 7.500 3.449 2.879 4.409 . 0 0 "[ . 1 . 2]" 1
1377 1 109 ALA HA 1 113 LEU H 4.000 . 5.000 4.074 3.747 4.667 . 0 0 "[ . 1 . 2]" 1
1378 1 110 PRO HA 1 112 LEU H 5.000 . 7.000 4.502 4.294 4.667 . 0 0 "[ . 1 . 2]" 1
1379 1 110 PRO HA 1 113 LEU H 4.000 . 5.000 3.861 3.465 4.073 . 0 0 "[ . 1 . 2]" 1
1380 1 110 PRO HA 1 113 LEU QD 5.500 . 7.500 3.330 2.129 4.274 . 0 0 "[ . 1 . 2]" 1
1381 1 110 PRO HB3 1 113 LEU H 5.000 . 7.000 5.912 5.521 6.058 . 0 0 "[ . 1 . 2]" 1
1382 1 110 PRO HA 1 114 LYS H 5.000 . 7.000 4.409 4.060 4.918 . 0 0 "[ . 1 . 2]" 1
1383 1 111 GLU HB2 1 113 LEU H 5.000 . 7.000 5.519 5.013 6.137 . 0 0 "[ . 1 . 2]" 1
1384 1 111 GLU HA 1 114 LYS H 3.500 . 4.000 3.360 3.066 3.737 . 0 0 "[ . 1 . 2]" 1
1385 1 112 LEU H 1 114 LYS H 5.000 . 7.000 3.998 3.748 4.322 . 0 0 "[ . 1 . 2]" 1
1386 1 112 LEU HA 1 116 VAL H 4.000 . 5.000 4.197 3.979 4.481 . 0 0 "[ . 1 . 2]" 1
1387 1 112 LEU QD 1 116 VAL H 5.500 . 7.500 4.097 3.254 4.731 . 0 0 "[ . 1 . 2]" 1
1388 1 113 LEU HA 1 116 VAL HA 5.000 . 7.000 5.624 5.025 6.028 . 0 0 "[ . 1 . 2]" 1
1389 1 113 LEU HA 1 116 VAL HB 4.000 . 5.000 3.625 2.299 4.922 . 0 0 "[ . 1 . 2]" 1
1390 1 113 LEU HA 1 116 VAL MG1 4.500 . 5.500 3.316 1.866 4.709 . 0 0 "[ . 1 . 2]" 1
1391 1 113 LEU HA 1 116 VAL MG2 4.500 . 5.500 3.375 1.823 4.803 . 0 0 "[ . 1 . 2]" 1
1392 1 113 LEU QD 1 116 VAL H 5.500 . 7.500 4.679 4.307 5.172 . 0 0 "[ . 1 . 2]" 1
1393 1 113 LEU H 1 116 VAL MG1 5.500 . 7.500 5.291 3.970 6.646 . 0 0 "[ . 1 . 2]" 1
1394 1 113 LEU QD 1 117 LYS HE2 5.500 . 7.500 4.449 2.610 6.016 . 0 0 "[ . 1 . 2]" 1
1395 1 113 LEU QD 1 117 LYS HE3 5.500 . 7.500 4.146 2.384 6.527 . 0 0 "[ . 1 . 2]" 1
1396 1 114 LYS H 1 116 VAL H 5.000 . 7.000 4.179 3.949 4.406 . 0 0 "[ . 1 . 2]" 1
1397 1 114 LYS HA 1 117 LYS QB 3.500 . 4.000 2.896 2.538 3.440 . 0 0 "[ . 1 . 2]" 1
1398 1 115 LYS HA 1 118 LEU QD 5.500 . 7.500 3.631 2.220 4.557 . 0 0 "[ . 1 . 2]" 1
1399 1 115 LYS H 1 118 LEU H 4.000 . 5.000 4.798 4.601 5.035 0.035 20 0 "[ . 1 . 2]" 1
1400 1 116 VAL H 1 118 LEU H 5.000 . 7.000 4.203 3.928 4.458 . 0 0 "[ . 1 . 2]" 1
1401 1 116 VAL HA 1 119 GLY H 3.500 . 4.000 3.539 3.319 3.954 . 0 0 "[ . 1 . 2]" 1
1402 1 116 VAL H 1 119 GLY H 5.000 . 7.000 4.659 4.508 4.874 . 0 0 "[ . 1 . 2]" 1
1403 1 116 VAL HA 1 120 VAL H 5.000 . 7.000 4.275 3.698 4.946 . 0 0 "[ . 1 . 2]" 1
1404 1 116 VAL HA 1 120 VAL MG2 5.500 . 7.500 4.018 2.923 6.394 . 0 0 "[ . 1 . 2]" 1
1405 1 117 LYS H 1 119 GLY H 4.000 . 5.000 3.888 3.728 4.201 . 0 0 "[ . 1 . 2]" 1
1406 1 117 LYS HA 1 120 VAL H 5.000 . 7.000 3.692 3.424 4.113 . 0 0 "[ . 1 . 2]" 1
1407 1 117 LYS HA 1 120 VAL MG2 5.500 . 7.500 3.495 2.108 5.515 . 0 0 "[ . 1 . 2]" 1
1408 1 117 LYS H 1 120 VAL MG2 5.500 . 7.500 4.874 4.223 7.269 . 0 0 "[ . 1 . 2]" 1
1409 1 117 LYS HA 1 121 GLU H 4.000 . 5.000 4.053 3.143 5.007 0.007 18 0 "[ . 1 . 2]" 1
1410 1 118 LEU HA 1 120 VAL H 5.000 . 7.000 4.360 3.742 4.863 . 0 0 "[ . 1 . 2]" 1
1411 1 118 LEU H 1 120 VAL H 5.000 . 7.000 4.287 4.034 4.438 . 0 0 "[ . 1 . 2]" 1
1412 1 8 GLY HA2 1 51 LYS HB2 5.000 . 7.000 5.803 4.064 6.797 . 0 0 "[ . 1 . 2]" 1
1413 1 8 GLY HA2 1 51 LYS HB3 5.000 . 7.000 6.092 4.670 7.032 0.032 19 0 "[ . 1 . 2]" 1
1414 1 8 GLY HA2 1 51 LYS HG3 5.000 . 7.000 6.205 4.324 7.053 0.053 7 0 "[ . 1 . 2]" 1
1415 1 8 GLY HA3 1 51 LYS HA 4.000 . 5.000 3.981 2.713 4.840 . 0 0 "[ . 1 . 2]" 1
1416 1 8 GLY HA3 1 51 LYS HG3 5.000 . 7.000 6.418 5.046 7.073 0.073 15 0 "[ . 1 . 2]" 1
1417 1 8 GLY H 1 51 LYS HB2 5.000 . 7.000 6.504 4.173 7.065 0.065 6 0 "[ . 1 . 2]" 1
1418 1 8 GLY HA2 1 56 ALA MB 4.500 . 5.500 3.096 2.119 4.355 . 0 0 "[ . 1 . 2]" 1
1419 1 8 GLY HA3 1 56 ALA MB 4.500 . 5.500 4.054 2.664 5.310 . 0 0 "[ . 1 . 2]" 1
1420 1 8 GLY H 1 56 ALA MB 5.500 . 7.500 4.194 2.072 6.060 . 0 0 "[ . 1 . 2]" 1
1421 1 9 ILE MG 1 31 PHE QD 6.000 . 8.000 4.738 3.825 7.310 . 0 0 "[ . 1 . 2]" 1
1422 1 9 ILE MG 1 31 PHE QE 6.000 . 8.000 4.501 3.359 7.568 . 0 0 "[ . 1 . 2]" 1
1423 1 9 ILE HB 1 50 PHE QD 5.500 . 7.500 3.339 2.097 5.376 . 0 0 "[ . 1 . 2]" 1
1424 1 9 ILE HB 1 50 PHE QE 5.500 . 7.500 3.465 2.083 5.953 . 0 0 "[ . 1 . 2]" 1
1425 1 9 ILE HB 1 50 PHE HZ 5.000 . 7.000 4.733 3.290 7.027 0.027 11 0 "[ . 1 . 2]" 1
1426 1 9 ILE MD 1 50 PHE H 5.500 . 7.500 5.272 3.702 7.574 0.074 14 0 "[ . 1 . 2]" 1
1427 1 9 ILE MD 1 50 PHE HA 5.500 . 7.500 3.797 2.548 5.369 . 0 0 "[ . 1 . 2]" 1
1428 1 9 ILE MD 1 50 PHE QB 5.500 . 7.500 4.575 2.478 6.357 . 0 0 "[ . 1 . 2]" 1
1429 1 9 ILE MD 1 50 PHE QD 6.000 . 8.000 3.584 1.842 5.173 . 0 0 "[ . 1 . 2]" 1
1430 1 9 ILE MD 1 50 PHE QE 6.000 . 8.000 3.598 1.964 5.966 . 0 0 "[ . 1 . 2]" 1
1431 1 9 ILE MD 1 50 PHE HZ 5.500 . 7.500 4.550 3.148 7.530 0.030 14 0 "[ . 1 . 2]" 1
1432 1 9 ILE HG12 1 50 PHE QE 5.500 . 7.500 5.414 4.467 7.060 . 0 0 "[ . 1 . 2]" 1
1433 1 9 ILE HG13 1 50 PHE QD 5.500 . 7.500 3.916 2.487 5.739 . 0 0 "[ . 1 . 2]" 1
1434 1 9 ILE HG13 1 50 PHE QE 5.500 . 7.500 4.721 3.549 6.552 . 0 0 "[ . 1 . 2]" 1
1435 1 9 ILE MG 1 50 PHE QE 6.000 . 8.000 3.883 3.014 5.464 . 0 0 "[ . 1 . 2]" 1
1436 1 9 ILE MG 1 50 PHE HZ 5.500 . 7.500 4.778 3.734 6.824 . 0 0 "[ . 1 . 2]" 1
1437 1 9 ILE H 1 50 PHE QB 4.000 . 5.000 3.080 1.802 4.477 . 0 0 "[ . 1 . 2]" 1
1438 1 9 ILE H 1 50 PHE QE 5.500 . 7.500 4.731 3.544 6.304 . 0 0 "[ . 1 . 2]" 1
1439 1 9 ILE MD 1 55 VAL MG2 6.000 . 8.000 4.931 3.276 7.176 . 0 0 "[ . 1 . 2]" 1
1440 1 9 ILE HA 1 56 ALA MB 5.500 . 7.500 2.958 2.138 4.193 . 0 0 "[ . 1 . 2]" 1
1441 1 9 ILE MD 1 56 ALA HA 5.500 . 7.500 2.784 1.780 4.138 0.020 18 0 "[ . 1 . 2]" 1
1442 1 9 ILE MD 1 56 ALA MB 6.000 . 8.000 3.495 2.300 4.833 . 0 0 "[ . 1 . 2]" 1
1443 1 9 ILE HG12 1 56 ALA HA 4.000 . 5.000 2.359 1.769 4.185 0.031 8 0 "[ . 1 . 2]" 1
1444 1 9 ILE HG13 1 56 ALA HA 4.000 . 5.000 3.270 2.195 5.080 0.080 14 0 "[ . 1 . 2]" 1
1445 1 9 ILE HG13 1 56 ALA MB 5.500 . 7.500 3.253 2.557 4.767 . 0 0 "[ . 1 . 2]" 1
1446 1 9 ILE MG 1 56 ALA HA 5.500 . 7.500 3.678 2.751 4.851 . 0 0 "[ . 1 . 2]" 1
1447 1 9 ILE MG 1 56 ALA MB 6.000 . 8.000 3.833 1.754 4.802 0.046 11 0 "[ . 1 . 2]" 1
1448 1 9 ILE H 1 56 ALA HA 4.500 . 5.500 4.495 3.560 5.522 0.022 15 0 "[ . 1 . 2]" 1
1449 1 9 ILE H 1 56 ALA MB 4.500 . 5.500 3.393 2.566 4.064 . 0 0 "[ . 1 . 2]" 1
1450 1 9 ILE HA 1 59 PHE QD 5.500 . 7.500 6.443 4.883 7.585 0.085 6 0 "[ . 1 . 2]" 1
1451 1 9 ILE MD 1 59 PHE H 5.500 . 7.500 4.372 3.129 5.227 . 0 0 "[ . 1 . 2]" 1
1452 1 9 ILE MD 1 59 PHE HB2 5.500 . 7.500 2.995 1.961 4.119 . 0 0 "[ . 1 . 2]" 1
1453 1 9 ILE MD 1 59 PHE HB3 5.500 . 7.500 3.411 2.438 4.762 . 0 0 "[ . 1 . 2]" 1
1454 1 9 ILE MD 1 59 PHE QD 6.000 . 8.000 3.069 2.179 5.195 . 0 0 "[ . 1 . 2]" 1
1455 1 9 ILE MD 1 59 PHE QE 6.000 . 8.000 4.121 2.962 6.907 . 0 0 "[ . 1 . 2]" 1
1456 1 9 ILE HG12 1 59 PHE HB2 5.000 . 7.000 3.902 2.697 6.618 . 0 0 "[ . 1 . 2]" 1
1457 1 9 ILE HG12 1 59 PHE QD 5.500 . 7.500 4.486 2.884 6.598 . 0 0 "[ . 1 . 2]" 1
1458 1 9 ILE HG13 1 59 PHE QD 5.500 . 7.500 5.185 3.780 6.547 . 0 0 "[ . 1 . 2]" 1
1459 1 9 ILE MG 1 59 PHE HB2 5.500 . 7.500 3.650 2.727 5.630 . 0 0 "[ . 1 . 2]" 1
1460 1 9 ILE MG 1 59 PHE HB3 5.500 . 7.500 3.560 2.802 4.382 . 0 0 "[ . 1 . 2]" 1
1461 1 9 ILE MG 1 59 PHE QD 6.000 . 8.000 4.178 2.623 5.384 . 0 0 "[ . 1 . 2]" 1
1462 1 9 ILE HA 1 60 ASN HD21 5.000 . 7.000 4.818 3.487 6.441 . 0 0 "[ . 1 . 2]" 1
1463 1 9 ILE HA 1 60 ASN HD22 5.000 . 7.000 4.899 2.216 7.030 0.030 14 0 "[ . 1 . 2]" 1
1464 1 9 ILE MG 1 60 ASN H 5.500 . 7.500 4.213 3.228 5.185 . 0 0 "[ . 1 . 2]" 1
1465 1 9 ILE MG 1 60 ASN HA 5.500 . 7.500 4.153 2.604 5.543 . 0 0 "[ . 1 . 2]" 1
1466 1 9 ILE MG 1 60 ASN HD21 5.500 . 7.500 4.366 2.694 6.020 . 0 0 "[ . 1 . 2]" 1
1467 1 9 ILE MG 1 60 ASN HD22 5.500 . 7.500 4.601 2.450 6.959 . 0 0 "[ . 1 . 2]" 1
1468 1 9 ILE MG 1 65 ASN H 5.500 . 7.500 5.398 4.275 6.387 . 0 0 "[ . 1 . 2]" 1
1469 1 9 ILE MG 1 65 ASN HA 5.500 . 7.500 4.997 4.203 7.333 . 0 0 "[ . 1 . 2]" 1
1470 1 9 ILE MG 1 65 ASN HB2 5.500 . 7.500 3.785 2.688 5.326 . 0 0 "[ . 1 . 2]" 1
1471 1 9 ILE MG 1 65 ASN HB3 5.500 . 7.500 3.404 2.710 6.129 . 0 0 "[ . 1 . 2]" 1
1472 1 9 ILE MG 1 65 ASN HD21 5.500 . 7.500 3.885 2.616 5.881 . 0 0 "[ . 1 . 2]" 1
1473 1 9 ILE MG 1 65 ASN HD22 5.500 . 7.500 3.527 2.273 5.256 . 0 0 "[ . 1 . 2]" 1
1474 1 10 ALA H 1 60 ASN HD21 4.500 . 5.500 4.307 2.561 5.583 0.083 11 0 "[ . 1 . 2]" 1
1475 1 10 ALA H 1 60 ASN HD22 4.500 . 5.500 4.023 2.152 5.527 0.027 9 0 "[ . 1 . 2]" 1
1476 1 11 PHE QE 1 32 VAL MG1 6.000 . 8.000 6.244 5.589 7.022 . 0 0 "[ . 1 . 2]" 1
1477 1 11 PHE QD 1 33 ASP H 5.500 . 7.500 4.093 3.305 4.738 . 0 0 "[ . 1 . 2]" 1
1478 1 11 PHE QE 1 33 ASP H 5.500 . 7.500 4.112 3.271 5.179 . 0 0 "[ . 1 . 2]" 1
1479 1 11 PHE QE 1 33 ASP HA 5.500 . 7.500 4.668 3.870 5.217 . 0 0 "[ . 1 . 2]" 1
1480 1 11 PHE QE 1 33 ASP QB 5.500 . 7.500 2.576 2.048 3.015 . 0 0 "[ . 1 . 2]" 1
1481 1 11 PHE HZ 1 33 ASP QB 5.000 . 7.000 3.396 2.816 3.986 . 0 0 "[ . 1 . 2]" 1
1482 1 11 PHE HZ 1 45 LEU QD 5.500 . 7.500 4.881 3.425 5.869 . 0 0 "[ . 1 . 2]" 1
1483 1 11 PHE HA 1 65 ASN H 4.000 . 5.000 4.804 4.349 5.108 0.108 1 0 "[ . 1 . 2]" 1
1484 1 11 PHE HA 1 65 ASN HA 5.000 . 7.000 4.509 3.900 5.217 . 0 0 "[ . 1 . 2]" 1
1485 1 11 PHE HA 1 65 ASN HB2 3.500 . 4.000 2.662 2.313 3.376 . 0 0 "[ . 1 . 2]" 1
1486 1 11 PHE HA 1 65 ASN HB3 4.500 . 5.500 2.612 1.861 4.766 . 0 0 "[ . 1 . 2]" 1
1487 1 11 PHE QD 1 65 ASN HB2 5.500 . 7.500 3.562 1.802 4.196 . 0 0 "[ . 1 . 2]" 1
1488 1 11 PHE QD 1 65 ASN HB3 5.500 . 7.500 2.462 1.783 3.715 0.017 14 0 "[ . 1 . 2]" 1
1489 1 11 PHE QD 1 65 ASN HD21 5.500 . 7.500 5.027 3.781 5.810 . 0 0 "[ . 1 . 2]" 1
1490 1 11 PHE QD 1 65 ASN HD22 5.500 . 7.500 5.727 4.916 6.268 . 0 0 "[ . 1 . 2]" 1
1491 1 11 PHE QE 1 65 ASN HA 5.500 . 7.500 3.831 3.272 4.452 . 0 0 "[ . 1 . 2]" 1
1492 1 11 PHE H 1 65 ASN HB2 5.000 . 7.000 5.014 4.656 5.555 . 0 0 "[ . 1 . 2]" 1
1493 1 11 PHE H 1 65 ASN HB3 5.000 . 7.000 4.861 4.238 6.915 . 0 0 "[ . 1 . 2]" 1
1494 1 11 PHE HB2 1 66 LEU HA 5.000 . 7.000 5.648 4.655 6.265 . 0 0 "[ . 1 . 2]" 1
1495 1 11 PHE HB3 1 66 LEU HA 5.000 . 7.000 3.993 3.170 4.633 . 0 0 "[ . 1 . 2]" 1
1496 1 11 PHE QD 1 66 LEU H 4.500 . 5.500 3.267 2.379 3.793 . 0 0 "[ . 1 . 2]" 1
1497 1 11 PHE QD 1 66 LEU HA 4.500 . 5.500 3.953 3.479 4.660 . 0 0 "[ . 1 . 2]" 1
1498 1 11 PHE QD 1 66 LEU HB2 5.500 . 7.500 5.571 5.258 5.981 . 0 0 "[ . 1 . 2]" 1
1499 1 11 PHE QD 1 66 LEU HB3 5.500 . 7.500 5.128 4.613 5.475 . 0 0 "[ . 1 . 2]" 1
1500 1 11 PHE QD 1 66 LEU QD 6.000 . 8.000 5.067 4.629 5.539 . 0 0 "[ . 1 . 2]" 1
1501 1 11 PHE QD 1 66 LEU HG 5.500 . 7.500 5.765 5.110 6.448 . 0 0 "[ . 1 . 2]" 1
1502 1 11 PHE QE 1 66 LEU H 5.500 . 7.500 4.165 3.684 4.740 . 0 0 "[ . 1 . 2]" 1
1503 1 11 PHE QE 1 66 LEU HA 5.500 . 7.500 5.899 5.199 6.750 . 0 0 "[ . 1 . 2]" 1
1504 1 11 PHE QE 1 66 LEU QD 6.000 . 8.000 6.269 5.746 6.854 . 0 0 "[ . 1 . 2]" 1
1505 1 11 PHE HA 1 67 LYS H 5.000 . 7.000 4.691 4.256 5.174 . 0 0 "[ . 1 . 2]" 1
1506 1 11 PHE HB2 1 67 LYS H 5.000 . 7.000 4.676 3.381 5.338 . 0 0 "[ . 1 . 2]" 1
1507 1 11 PHE HB3 1 67 LYS H 5.000 . 7.000 3.163 2.531 3.664 . 0 0 "[ . 1 . 2]" 1
1508 1 11 PHE HB3 1 67 LYS QG 5.000 . 7.000 3.518 2.182 4.780 . 0 0 "[ . 1 . 2]" 1
1509 1 11 PHE QD 1 67 LYS H 5.500 . 7.500 4.046 2.977 4.926 . 0 0 "[ . 1 . 2]" 1
1510 1 11 PHE QD 1 67 LYS HA 5.500 . 7.500 3.883 2.966 4.314 . 0 0 "[ . 1 . 2]" 1
1511 1 11 PHE QD 1 67 LYS QD 5.500 . 7.500 4.164 2.847 5.559 . 0 0 "[ . 1 . 2]" 1
1512 1 11 PHE QE 1 67 LYS HA 5.500 . 7.500 5.026 4.022 5.814 . 0 0 "[ . 1 . 2]" 1
1513 1 11 PHE QE 1 90 LEU QD 6.000 . 8.000 4.710 3.748 5.739 . 0 0 "[ . 1 . 2]" 1
1514 1 11 PHE HZ 1 90 LEU QD 5.500 . 7.500 4.612 3.610 5.774 . 0 0 "[ . 1 . 2]" 1
1515 1 12 ARG HD2 1 64 VAL QG 4.000 . 5.000 3.973 2.434 5.091 0.091 7 0 "[ . 1 . 2]" 1
1516 1 12 ARG HD3 1 64 VAL QG 4.000 . 5.000 4.183 1.847 5.106 0.106 9 0 "[ . 1 . 2]" 1
1517 1 12 ARG H 1 65 ASN H 5.000 . 7.000 4.640 4.233 4.954 . 0 0 "[ . 1 . 2]" 1
1518 1 12 ARG H 1 65 ASN HB3 5.000 . 7.000 3.878 2.915 5.622 . 0 0 "[ . 1 . 2]" 1
1519 1 12 ARG H 1 66 LEU HA 4.000 . 5.000 3.047 2.441 3.558 . 0 0 "[ . 1 . 2]" 1
1520 1 12 ARG H 1 66 LEU HB3 5.000 . 7.000 5.854 5.348 6.378 . 0 0 "[ . 1 . 2]" 1
1521 1 12 ARG H 1 66 LEU QD 5.500 . 7.500 4.204 3.640 4.694 . 0 0 "[ . 1 . 2]" 1
1522 1 14 LEU QD 1 22 ARG HG2 5.500 . 7.500 3.375 2.369 5.108 . 0 0 "[ . 1 . 2]" 1
1523 1 14 LEU QD 1 22 ARG HG3 5.500 . 7.500 3.420 1.895 4.763 . 0 0 "[ . 1 . 2]" 1
1524 1 14 LEU HB2 1 66 LEU QD 5.500 . 7.500 2.677 1.755 4.679 0.045 8 0 "[ . 1 . 2]" 1
1525 1 14 LEU HB3 1 66 LEU QD 5.500 . 7.500 3.551 2.120 4.710 . 0 0 "[ . 1 . 2]" 1
1526 1 14 LEU QD 1 66 LEU HA 5.500 . 7.500 4.820 3.738 6.040 . 0 0 "[ . 1 . 2]" 1
1527 1 14 LEU H 1 66 LEU QD 5.500 . 7.500 2.014 1.749 2.530 0.051 2 0 "[ . 1 . 2]" 1
1528 1 14 LEU H 1 67 LYS H 5.000 . 7.000 4.078 3.424 4.915 . 0 0 "[ . 1 . 2]" 1
1529 1 15 SER HA 1 68 MET ME 5.500 . 7.500 3.751 2.333 5.126 . 0 0 "[ . 1 . 2]" 1
1530 1 15 SER HB2 1 68 MET ME 5.500 . 7.500 5.781 4.097 7.526 0.026 20 0 "[ . 1 . 2]" 1
1531 1 15 SER HB3 1 68 MET ME 5.500 . 7.500 5.357 4.065 6.628 . 0 0 "[ . 1 . 2]" 1
1532 1 16 PHE HA 1 30 LEU QD 5.500 . 7.500 4.473 3.376 5.717 . 0 0 "[ . 1 . 2]" 1
1533 1 16 PHE QD 1 30 LEU QD 6.000 . 8.000 4.358 3.018 5.835 . 0 0 "[ . 1 . 2]" 1
1534 1 16 PHE QE 1 30 LEU QD 6.000 . 8.000 4.024 2.443 5.954 . 0 0 "[ . 1 . 2]" 1
1535 1 16 PHE HZ 1 30 LEU QD 5.500 . 7.500 4.893 3.415 6.924 . 0 0 "[ . 1 . 2]" 1
1536 1 16 PHE QD 1 32 VAL MG1 6.000 . 8.000 4.673 3.845 5.866 . 0 0 "[ . 1 . 2]" 1
1537 1 16 PHE QE 1 32 VAL MG1 6.000 . 8.000 4.880 3.632 6.617 . 0 0 "[ . 1 . 2]" 1
1538 1 16 PHE HA 1 66 LEU QD 5.500 . 7.500 3.178 2.475 3.813 . 0 0 "[ . 1 . 2]" 1
1539 1 16 PHE HB2 1 66 LEU QD 5.500 . 7.500 4.426 3.810 5.328 . 0 0 "[ . 1 . 2]" 1
1540 1 16 PHE HB3 1 66 LEU QD 5.500 . 7.500 5.364 4.760 6.079 . 0 0 "[ . 1 . 2]" 1
1541 1 16 PHE QD 1 66 LEU QD 6.000 . 8.000 3.601 2.817 4.630 . 0 0 "[ . 1 . 2]" 1
1542 1 16 PHE QE 1 66 LEU QD 6.000 . 8.000 4.618 3.668 5.581 . 0 0 "[ . 1 . 2]" 1
1543 1 16 PHE H 1 66 LEU QD 5.500 . 7.500 4.499 3.947 5.045 . 0 0 "[ . 1 . 2]" 1
1544 1 16 PHE HA 1 68 MET ME 5.500 . 7.500 3.819 2.408 5.702 . 0 0 "[ . 1 . 2]" 1
1545 1 16 PHE HB2 1 68 MET ME 5.500 . 7.500 3.109 1.846 4.480 . 0 0 "[ . 1 . 2]" 1
1546 1 16 PHE HB3 1 68 MET ME 4.500 . 5.500 4.462 3.342 5.532 0.032 3 0 "[ . 1 . 2]" 1
1547 1 16 PHE QD 1 68 MET ME 6.000 . 8.000 3.513 2.334 5.740 . 0 0 "[ . 1 . 2]" 1
1548 1 16 PHE QE 1 68 MET ME 6.000 . 8.000 5.204 3.950 7.465 . 0 0 "[ . 1 . 2]" 1
1549 1 16 PHE H 1 68 MET ME 5.500 . 7.500 3.566 2.479 4.789 . 0 0 "[ . 1 . 2]" 1
1550 1 16 PHE H 1 74 GLU QG 5.000 . 7.000 4.681 3.424 6.307 . 0 0 "[ . 1 . 2]" 1
1551 1 16 PHE HA 1 78 LEU QD 5.500 . 7.500 4.986 4.157 5.907 . 0 0 "[ . 1 . 2]" 1
1552 1 16 PHE HB2 1 78 LEU QD 5.500 . 7.500 3.870 3.065 4.581 . 0 0 "[ . 1 . 2]" 1
1553 1 16 PHE HB3 1 78 LEU QD 5.500 . 7.500 4.860 4.054 5.531 . 0 0 "[ . 1 . 2]" 1
1554 1 16 PHE QD 1 78 LEU QD 6.000 . 8.000 3.183 2.246 3.891 . 0 0 "[ . 1 . 2]" 1
1555 1 16 PHE QD 1 78 LEU HG 5.500 . 7.500 5.385 3.944 6.601 . 0 0 "[ . 1 . 2]" 1
1556 1 16 PHE QE 1 78 LEU QD 6.000 . 8.000 3.283 1.989 4.327 . 0 0 "[ . 1 . 2]" 1
1557 1 16 PHE H 1 78 LEU QD 5.500 . 7.500 5.462 4.623 6.304 . 0 0 "[ . 1 . 2]" 1
1558 1 16 PHE QE 1 81 LYS HE3 5.500 . 7.500 6.559 4.526 7.560 0.060 7 0 "[ . 1 . 2]" 1
1559 1 16 PHE HZ 1 82 TYR QE 5.500 . 7.500 5.806 4.338 7.017 . 0 0 "[ . 1 . 2]" 1
1560 1 16 PHE QD 1 93 ILE MD 6.000 . 8.000 4.902 3.305 6.441 . 0 0 "[ . 1 . 2]" 1
1561 1 16 PHE QE 1 93 ILE MD 6.000 . 8.000 3.330 1.794 4.783 0.006 5 0 "[ . 1 . 2]" 1
1562 1 16 PHE QE 1 93 ILE MG 6.000 . 8.000 3.794 2.278 5.605 . 0 0 "[ . 1 . 2]" 1
1563 1 16 PHE HZ 1 93 ILE MD 5.500 . 7.500 3.700 2.134 5.954 . 0 0 "[ . 1 . 2]" 1
1564 1 16 PHE HZ 1 93 ILE MG 5.500 . 7.500 3.788 2.031 6.274 . 0 0 "[ . 1 . 2]" 1
1565 1 16 PHE QE 1 97 GLY HA2 5.500 . 7.500 4.891 3.138 6.557 . 0 0 "[ . 1 . 2]" 1
1566 1 16 PHE QE 1 97 GLY HA3 5.500 . 7.500 5.045 3.089 6.484 . 0 0 "[ . 1 . 2]" 1
1567 1 16 PHE HZ 1 97 GLY HA2 5.000 . 7.000 4.404 1.774 6.628 0.026 6 0 "[ . 1 . 2]" 1
1568 1 16 PHE HZ 1 97 GLY HA3 5.000 . 7.000 4.897 2.947 6.287 . 0 0 "[ . 1 . 2]" 1
1569 1 17 PRO HD3 1 78 LEU QD 5.500 . 7.500 6.219 5.400 6.737 . 0 0 "[ . 1 . 2]" 1
1570 1 19 ALA HA 1 30 LEU QD 4.000 . 5.000 3.688 3.210 4.317 . 0 0 "[ . 1 . 2]" 1
1571 1 19 ALA MB 1 30 LEU QD 5.000 . 7.000 2.148 1.790 2.656 0.010 8 0 "[ . 1 . 2]" 1
1572 1 19 ALA H 1 30 LEU QD 5.500 . 7.500 4.567 4.163 5.270 . 0 0 "[ . 1 . 2]" 1
1573 1 19 ALA HA 1 66 LEU QD 5.500 . 7.500 3.745 3.190 4.340 . 0 0 "[ . 1 . 2]" 1
1574 1 19 ALA MB 1 66 LEU QD 6.000 . 8.000 1.878 1.631 2.291 0.169 12 0 "[ . 1 . 2]" 1
1575 1 19 ALA MB 1 66 LEU HG 4.500 . 5.500 4.241 3.899 4.734 . 0 0 "[ . 1 . 2]" 1
1576 1 19 ALA H 1 66 LEU QD 5.500 . 7.500 3.866 3.481 4.287 . 0 0 "[ . 1 . 2]" 1
1577 1 20 LEU HA 1 30 LEU HB2 5.000 . 7.000 4.499 3.029 6.343 . 0 0 "[ . 1 . 2]" 1
1578 1 20 LEU HA 1 30 LEU HB3 5.000 . 7.000 5.284 4.224 7.050 0.050 8 0 "[ . 1 . 2]" 1
1579 1 20 LEU HA 1 30 LEU QD 5.500 . 7.500 2.546 1.702 3.432 0.098 2 0 "[ . 1 . 2]" 1
1580 1 20 LEU H 1 30 LEU QD 5.500 . 7.500 3.528 2.865 4.491 . 0 0 "[ . 1 . 2]" 1
1581 1 20 LEU QD 1 93 ILE MG 5.000 . 7.000 2.808 1.978 3.580 . 0 0 "[ . 1 . 2]" 1
1582 1 20 LEU QD 1 95 SER H 5.500 . 7.500 4.996 4.082 6.811 . 0 0 "[ . 1 . 2]" 1
1583 1 20 LEU QD 1 96 SER H 5.000 . 7.000 4.540 3.798 6.185 . 0 0 "[ . 1 . 2]" 1
1584 1 20 LEU QD 1 96 SER HA 5.000 . 7.000 4.293 2.735 6.269 . 0 0 "[ . 1 . 2]" 1
1585 1 20 LEU QD 1 97 GLY H 4.500 . 5.500 3.124 2.340 4.795 . 0 0 "[ . 1 . 2]" 1
1586 1 20 LEU QD 1 97 GLY HA2 . . 5.000 2.608 1.829 3.877 . 0 0 "[ . 1 . 2]" 1
1587 1 20 LEU QD 1 97 GLY HA3 . . 5.000 2.947 2.285 4.221 . 0 0 "[ . 1 . 2]" 1
1588 1 20 LEU QD 1 98 GLU H 5.000 . 7.000 4.595 3.872 6.026 . 0 0 "[ . 1 . 2]" 1
1589 1 22 ARG H 1 30 LEU QD 5.500 . 7.500 4.940 4.377 5.846 . 0 0 "[ . 1 . 2]" 1
1590 1 22 ARG HD2 1 64 VAL QG 5.000 . 7.000 4.794 2.649 6.259 . 0 0 "[ . 1 . 2]" 1
1591 1 22 ARG HD3 1 64 VAL QG 5.000 . 7.000 5.184 3.461 6.680 . 0 0 "[ . 1 . 2]" 1
1592 1 22 ARG HG3 1 64 VAL QG 4.000 . 5.000 3.885 2.024 5.026 0.026 2 0 "[ . 1 . 2]" 1
1593 1 23 ALA MB 1 29 LEU HA 5.500 . 7.500 3.776 2.954 4.942 . 0 0 "[ . 1 . 2]" 1
1594 1 23 ALA HA 1 30 LEU QD 4.500 . 5.500 4.087 2.853 5.246 . 0 0 "[ . 1 . 2]" 1
1595 1 23 ALA MB 1 30 LEU H 5.500 . 7.500 3.933 3.409 5.004 . 0 0 "[ . 1 . 2]" 1
1596 1 23 ALA MB 1 30 LEU HA 5.500 . 7.500 3.591 2.799 5.314 . 0 0 "[ . 1 . 2]" 1
1597 1 23 ALA MB 1 30 LEU QD 6.000 . 8.000 2.259 1.704 3.179 0.096 5 0 "[ . 1 . 2]" 1
1598 1 23 ALA H 1 30 LEU QD 4.500 . 5.500 3.631 2.923 4.691 . 0 0 "[ . 1 . 2]" 1
1599 1 23 ALA MB 1 31 PHE H 5.500 . 7.500 5.255 4.223 7.016 . 0 0 "[ . 1 . 2]" 1
1600 1 23 ALA HA 1 64 VAL QG 3.500 . 4.000 2.508 1.723 3.546 0.077 4 0 "[ . 1 . 2]" 1
1601 1 23 ALA MB 1 64 VAL QG 5.500 . 7.500 2.607 1.885 3.871 . 0 0 "[ . 1 . 2]" 1
1602 1 23 ALA MB 1 94 ASN HA 5.500 . 7.500 5.350 4.428 6.491 . 0 0 "[ . 1 . 2]" 1
1603 1 23 ALA MB 1 95 SER H 5.500 . 7.500 5.120 3.823 6.471 . 0 0 "[ . 1 . 2]" 1
1604 1 23 ALA MB 1 95 SER HB2 5.500 . 7.500 5.154 2.756 7.181 . 0 0 "[ . 1 . 2]" 1
1605 1 23 ALA MB 1 95 SER HB3 5.500 . 7.500 4.548 2.691 6.464 . 0 0 "[ . 1 . 2]" 1
1606 1 24 GLU H 1 30 LEU QD 5.500 . 7.500 4.879 3.792 5.951 . 0 0 "[ . 1 . 2]" 1
1607 1 24 GLU QB 1 95 SER HB2 5.000 . 7.000 4.954 3.168 6.670 . 0 0 "[ . 1 . 2]" 1
1608 1 24 GLU QB 1 95 SER HB3 5.000 . 7.000 4.228 2.672 6.959 . 0 0 "[ . 1 . 2]" 1
1609 1 26 GLU QG 1 64 VAL QG 5.000 . 7.000 4.153 2.068 6.219 . 0 0 "[ . 1 . 2]" 1
1610 1 26 GLU H 1 64 VAL MG2 5.500 . 7.500 5.132 3.750 7.385 . 0 0 "[ . 1 . 2]" 1
1611 1 28 LYS HA 1 63 PHE HA 5.000 . 7.000 5.404 3.741 6.322 . 0 0 "[ . 1 . 2]" 1
1612 1 28 LYS HB3 1 63 PHE HA 4.000 . 5.000 3.939 1.789 5.291 0.291 10 0 "[ . 1 . 2]" 1
1613 1 28 LYS HD2 1 63 PHE HA 5.000 . 7.000 4.916 2.948 6.935 . 0 0 "[ . 1 . 2]" 1
1614 1 28 LYS HD3 1 63 PHE HA 5.000 . 7.000 4.898 2.572 7.123 0.123 1 0 "[ . 1 . 2]" 1
1615 1 28 LYS HB2 1 64 VAL QG 5.000 . 7.000 4.338 1.860 6.844 . 0 0 "[ . 1 . 2]" 1
1616 1 28 LYS HB3 1 64 VAL QG 5.000 . 7.000 4.147 2.175 6.075 . 0 0 "[ . 1 . 2]" 1
1617 1 28 LYS HD2 1 64 VAL QG 5.000 . 7.000 4.916 1.981 7.083 0.083 7 0 "[ . 1 . 2]" 1
1618 1 28 LYS H 1 64 VAL MG2 5.500 . 7.500 3.878 2.485 5.272 . 0 0 "[ . 1 . 2]" 1
1619 1 29 LEU HB2 1 63 PHE HA 5.000 . 7.000 3.643 2.404 5.431 . 0 0 "[ . 1 . 2]" 1
1620 1 29 LEU HB2 1 63 PHE QD 5.500 . 7.500 2.247 1.764 3.933 0.036 14 0 "[ . 1 . 2]" 1
1621 1 29 LEU HB3 1 63 PHE QD 5.500 . 7.500 2.949 1.920 4.219 . 0 0 "[ . 1 . 2]" 1
1622 1 29 LEU QD 1 63 PHE QD 6.000 . 8.000 3.058 2.121 4.076 . 0 0 "[ . 1 . 2]" 1
1623 1 29 LEU QD 1 63 PHE QE 6.000 . 8.000 2.280 1.673 3.595 0.127 10 0 "[ . 1 . 2]" 1
1624 1 29 LEU QD 1 63 PHE HZ 5.500 . 7.500 3.860 3.381 5.159 . 0 0 "[ . 1 . 2]" 1
1625 1 29 LEU HG 1 63 PHE QD 5.500 . 7.500 4.368 3.460 5.275 . 0 0 "[ . 1 . 2]" 1
1626 1 29 LEU H 1 63 PHE HA 5.000 . 7.000 3.408 2.416 5.450 . 0 0 "[ . 1 . 2]" 1
1627 1 29 LEU H 1 63 PHE QD 5.500 . 7.500 3.864 2.488 5.817 . 0 0 "[ . 1 . 2]" 1
1628 1 29 LEU QD 1 92 PHE HB2 5.500 . 7.500 5.007 3.918 6.054 . 0 0 "[ . 1 . 2]" 1
1629 1 29 LEU QD 1 92 PHE HB3 5.500 . 7.500 3.826 2.608 5.038 . 0 0 "[ . 1 . 2]" 1
1630 1 29 LEU QD 1 92 PHE QD 6.000 . 8.000 4.220 2.689 5.595 . 0 0 "[ . 1 . 2]" 1
1631 1 29 LEU HB2 1 93 ILE H 5.000 . 7.000 5.943 5.377 6.589 . 0 0 "[ . 1 . 2]" 1
1632 1 29 LEU HA 1 94 ASN HA 4.000 . 5.000 3.360 2.585 4.228 . 0 0 "[ . 1 . 2]" 1
1633 1 29 LEU HB2 1 94 ASN HA 5.000 . 7.000 5.330 4.138 5.884 . 0 0 "[ . 1 . 2]" 1
1634 1 29 LEU HB3 1 94 ASN HA 5.000 . 7.000 4.115 2.833 5.285 . 0 0 "[ . 1 . 2]" 1
1635 1 29 LEU QD 1 94 ASN HA 4.500 . 5.500 2.442 1.755 4.009 0.045 8 0 "[ . 1 . 2]" 1
1636 1 29 LEU QD 1 94 ASN HB2 5.500 . 7.500 3.754 2.663 5.933 . 0 0 "[ . 1 . 2]" 1
1637 1 29 LEU QD 1 94 ASN HB3 5.500 . 7.500 3.497 2.566 5.194 . 0 0 "[ . 1 . 2]" 1
1638 1 29 LEU HG 1 94 ASN HA 5.000 . 7.000 4.202 1.797 5.386 0.003 9 0 "[ . 1 . 2]" 1
1639 1 29 LEU QD 1 95 SER H 5.500 . 7.500 3.547 2.840 4.967 . 0 0 "[ . 1 . 2]" 1
1640 1 29 LEU QD 1 95 SER HB3 5.500 . 7.500 5.394 4.321 6.633 . 0 0 "[ . 1 . 2]" 1
1641 1 29 LEU QD 1 120 VAL MG1 6.000 . 8.000 3.176 1.839 4.230 . 0 0 "[ . 1 . 2]" 1
1642 1 30 LEU HA 1 63 PHE HB2 5.000 . 7.000 5.729 4.058 6.999 . 0 0 "[ . 1 . 2]" 1
1643 1 30 LEU HA 1 64 VAL H 3.500 . 4.000 3.095 2.163 4.014 0.014 2 0 "[ . 1 . 2]" 1
1644 1 30 LEU HA 1 64 VAL HB 4.000 . 5.000 2.920 2.017 4.795 . 0 0 "[ . 1 . 2]" 1
1645 1 30 LEU HA 1 64 VAL QG 5.000 . 7.000 3.055 1.785 3.634 0.015 12 0 "[ . 1 . 2]" 1
1646 1 30 LEU QD 1 64 VAL HB 4.500 . 5.500 2.742 1.814 4.329 . 0 0 "[ . 1 . 2]" 1
1647 1 30 LEU QD 1 66 LEU HB2 5.500 . 7.500 2.852 1.991 5.140 . 0 0 "[ . 1 . 2]" 1
1648 1 30 LEU QD 1 66 LEU HB3 5.500 . 7.500 3.309 2.483 5.418 . 0 0 "[ . 1 . 2]" 1
1649 1 30 LEU QD 1 66 LEU QD 6.000 . 8.000 2.451 1.840 3.819 . 0 0 "[ . 1 . 2]" 1
1650 1 30 LEU HB3 1 92 PHE HA 5.000 . 6.000 5.202 4.661 5.564 . 0 0 "[ . 1 . 2]" 1
1651 1 30 LEU H 1 92 PHE HA 5.000 . 7.000 5.052 4.743 5.458 . 0 0 "[ . 1 . 2]" 1
1652 1 30 LEU HB2 1 93 ILE H 4.000 . 5.000 4.175 2.763 5.087 0.087 1 0 "[ . 1 . 2]" 1
1653 1 30 LEU HB2 1 93 ILE MD 5.500 . 7.500 4.956 3.508 6.035 . 0 0 "[ . 1 . 2]" 1
1654 1 30 LEU HB2 1 93 ILE MG 5.500 . 7.500 3.474 1.770 4.153 0.030 17 0 "[ . 1 . 2]" 1
1655 1 30 LEU HB3 1 93 ILE H 3.500 . 4.000 3.477 2.875 4.066 0.066 18 0 "[ . 1 . 2]" 1
1656 1 30 LEU H 1 93 ILE H 4.000 . 5.000 3.514 3.220 4.061 . 0 0 "[ . 1 . 2]" 1
1657 1 30 LEU H 1 93 ILE HB 4.500 . 5.500 4.045 3.168 5.580 0.080 17 0 "[ . 1 . 2]" 1
1658 1 30 LEU H 1 94 ASN HA 5.000 . 7.000 3.571 3.149 3.968 . 0 0 "[ . 1 . 2]" 1
1659 1 30 LEU QD 1 97 GLY HA2 5.500 . 7.500 4.684 3.647 5.414 . 0 0 "[ . 1 . 2]" 1
1660 1 31 PHE HB3 1 59 PHE QE 5.500 . 7.500 5.894 3.801 7.522 0.022 15 0 "[ . 1 . 2]" 1
1661 1 31 PHE QD 1 59 PHE QD 6.000 . 8.000 3.942 3.131 5.377 . 0 0 "[ . 1 . 2]" 1
1662 1 31 PHE QD 1 59 PHE QE 6.000 . 8.000 4.013 2.815 5.989 . 0 0 "[ . 1 . 2]" 1
1663 1 31 PHE H 1 63 PHE HB3 5.000 . 7.000 3.416 2.580 4.980 . 0 0 "[ . 1 . 2]" 1
1664 1 31 PHE H 1 63 PHE QD 5.500 . 7.500 4.530 3.752 5.385 . 0 0 "[ . 1 . 2]" 1
1665 1 31 PHE HB2 1 64 VAL H 4.000 . 5.000 4.491 4.138 4.957 . 0 0 "[ . 1 . 2]" 1
1666 1 31 PHE HB2 1 64 VAL QG 5.000 . 7.000 5.326 4.428 5.890 . 0 0 "[ . 1 . 2]" 1
1667 1 31 PHE H 1 64 VAL H 4.000 . 5.000 3.245 2.920 3.663 . 0 0 "[ . 1 . 2]" 1
1668 1 31 PHE H 1 64 VAL HB 4.000 . 5.000 3.624 2.804 4.954 . 0 0 "[ . 1 . 2]" 1
1669 1 31 PHE HB2 1 65 ASN HA 5.000 . 7.000 4.280 3.709 5.477 . 0 0 "[ . 1 . 2]" 1
1670 1 31 PHE HB3 1 65 ASN HA 4.000 . 5.000 2.571 1.986 3.771 . 0 0 "[ . 1 . 2]" 1
1671 1 31 PHE HB3 1 65 ASN HD22 5.000 . 7.000 4.809 3.461 6.814 . 0 0 "[ . 1 . 2]" 1
1672 1 31 PHE QD 1 65 ASN HA 4.500 . 5.500 2.707 2.034 4.018 . 0 0 "[ . 1 . 2]" 1
1673 1 31 PHE QE 1 65 ASN HA 5.500 . 7.500 4.841 3.929 5.937 . 0 0 "[ . 1 . 2]" 1
1674 1 31 PHE H 1 65 ASN HA 4.000 . 5.000 3.750 3.034 4.501 . 0 0 "[ . 1 . 2]" 1
1675 1 31 PHE HB2 1 66 LEU H 5.000 . 7.000 5.175 4.631 6.111 . 0 0 "[ . 1 . 2]" 1
1676 1 31 PHE HB3 1 66 LEU H 4.000 . 5.000 3.559 2.902 4.614 . 0 0 "[ . 1 . 2]" 1
1677 1 31 PHE H 1 66 LEU H 5.000 . 7.000 3.893 3.554 4.797 . 0 0 "[ . 1 . 2]" 1
1678 1 31 PHE H 1 66 LEU HB3 5.000 . 7.000 4.566 4.160 4.877 . 0 0 "[ . 1 . 2]" 1
1679 1 31 PHE QD 1 90 LEU HA 5.500 . 7.500 5.314 4.071 6.039 . 0 0 "[ . 1 . 2]" 1
1680 1 31 PHE QD 1 90 LEU HB2 5.500 . 7.500 5.792 5.066 6.800 . 0 0 "[ . 1 . 2]" 1
1681 1 31 PHE QD 1 90 LEU HB3 5.500 . 7.500 4.275 3.377 5.294 . 0 0 "[ . 1 . 2]" 1
1682 1 31 PHE QE 1 90 LEU H 5.500 . 7.500 5.981 4.932 7.040 . 0 0 "[ . 1 . 2]" 1
1683 1 31 PHE QE 1 90 LEU HA 4.500 . 5.500 4.244 2.691 5.117 . 0 0 "[ . 1 . 2]" 1
1684 1 31 PHE QE 1 90 LEU HB2 5.500 . 7.500 4.089 3.456 5.394 . 0 0 "[ . 1 . 2]" 1
1685 1 31 PHE QE 1 90 LEU HB3 5.500 . 7.500 2.644 1.993 4.053 . 0 0 "[ . 1 . 2]" 1
1686 1 31 PHE QE 1 90 LEU QD 6.000 . 8.000 2.362 1.781 2.943 0.019 17 0 "[ . 1 . 2]" 1
1687 1 31 PHE QE 1 90 LEU HG 4.500 . 5.500 4.013 2.222 5.121 . 0 0 "[ . 1 . 2]" 1
1688 1 31 PHE HZ 1 90 LEU QD 5.500 . 7.500 2.076 1.643 3.015 0.157 5 0 "[ . 1 . 2]" 1
1689 1 31 PHE HZ 1 90 LEU HG 4.000 . 5.000 3.492 2.093 4.784 . 0 0 "[ . 1 . 2]" 1
1690 1 31 PHE QD 1 91 LEU H 5.500 . 7.500 4.833 3.887 5.799 . 0 0 "[ . 1 . 2]" 1
1691 1 31 PHE QE 1 91 LEU H 5.500 . 7.500 4.625 3.413 5.702 . 0 0 "[ . 1 . 2]" 1
1692 1 31 PHE HA 1 92 PHE HA 4.000 . 5.000 3.077 2.831 3.334 . 0 0 "[ . 1 . 2]" 1
1693 1 31 PHE HB3 1 92 PHE QE 5.500 . 7.500 5.903 5.366 6.207 . 0 0 "[ . 1 . 2]" 1
1694 1 31 PHE QD 1 92 PHE HA 5.500 . 7.500 3.973 3.161 4.783 . 0 0 "[ . 1 . 2]" 1
1695 1 31 PHE QD 1 92 PHE QE 6.000 . 8.000 2.700 2.254 3.431 . 0 0 "[ . 1 . 2]" 1
1696 1 31 PHE QE 1 92 PHE QE 6.000 . 8.000 2.777 2.015 3.474 . 0 0 "[ . 1 . 2]" 1
1697 1 31 PHE HA 1 93 ILE H 4.000 . 5.000 3.770 3.450 4.179 . 0 0 "[ . 1 . 2]" 1
1698 1 32 VAL HA 1 66 LEU H 4.000 . 5.000 3.226 2.728 4.065 . 0 0 "[ . 1 . 2]" 1
1699 1 32 VAL HA 1 66 LEU HA 5.000 . 7.000 4.841 4.530 5.488 . 0 0 "[ . 1 . 2]" 1
1700 1 32 VAL HA 1 66 LEU HB2 4.000 . 5.000 4.172 3.660 4.779 . 0 0 "[ . 1 . 2]" 1
1701 1 32 VAL HA 1 66 LEU HB3 5.000 . 7.000 2.465 2.006 3.058 . 0 0 "[ . 1 . 2]" 1
1702 1 32 VAL MG1 1 66 LEU H 5.500 . 7.500 4.834 4.029 5.683 . 0 0 "[ . 1 . 2]" 1
1703 1 32 VAL MG1 1 66 LEU HB2 4.500 . 5.500 4.680 3.656 5.512 0.012 9 0 "[ . 1 . 2]" 1
1704 1 32 VAL MG2 1 68 MET H 5.500 . 7.500 5.939 5.353 6.820 . 0 0 "[ . 1 . 2]" 1
1705 1 32 VAL MG2 1 68 MET HB2 5.500 . 7.500 4.905 3.995 5.732 . 0 0 "[ . 1 . 2]" 1
1706 1 32 VAL MG2 1 68 MET HB3 5.500 . 7.500 5.640 4.778 6.775 . 0 0 "[ . 1 . 2]" 1
1707 1 32 VAL MG2 1 68 MET ME 6.000 . 8.000 4.984 3.626 6.622 . 0 0 "[ . 1 . 2]" 1
1708 1 32 VAL HB 1 90 LEU HA 4.500 . 5.500 5.109 4.628 5.460 . 0 0 "[ . 1 . 2]" 1
1709 1 32 VAL MG1 1 90 LEU HA 5.500 . 7.500 5.138 4.639 5.501 . 0 0 "[ . 1 . 2]" 1
1710 1 32 VAL H 1 90 LEU QD 5.500 . 7.500 5.447 4.776 6.178 . 0 0 "[ . 1 . 2]" 1
1711 1 32 VAL HB 1 91 LEU H 4.000 . 5.000 3.262 2.810 3.786 . 0 0 "[ . 1 . 2]" 1
1712 1 32 VAL HB 1 91 LEU HA 5.000 . 7.000 4.509 4.254 4.868 . 0 0 "[ . 1 . 2]" 1
1713 1 32 VAL HB 1 91 LEU QD . . 5.000 2.855 2.149 3.468 . 0 0 "[ . 1 . 2]" 1
1714 1 32 VAL H 1 91 LEU H 3.500 . 4.000 3.359 3.052 3.770 . 0 0 "[ . 1 . 2]" 1
1715 1 32 VAL H 1 91 LEU HB2 4.000 . 5.000 3.627 2.597 4.934 . 0 0 "[ . 1 . 2]" 1
1716 1 32 VAL H 1 91 LEU QD 5.500 . 7.500 4.510 3.990 5.019 . 0 0 "[ . 1 . 2]" 1
1717 1 32 VAL MG1 1 92 PHE HA 5.500 . 7.500 6.356 5.927 6.853 . 0 0 "[ . 1 . 2]" 1
1718 1 32 VAL H 1 92 PHE H 5.000 . 7.000 4.968 4.844 5.131 . 0 0 "[ . 1 . 2]" 1
1719 1 32 VAL H 1 92 PHE HA 4.000 . 5.000 3.610 3.349 4.050 . 0 0 "[ . 1 . 2]" 1
1720 1 32 VAL H 1 93 ILE H 5.000 . 7.000 4.145 3.776 4.811 . 0 0 "[ . 1 . 2]" 1
1721 1 33 ASP QB 1 50 PHE QE 5.500 . 7.500 5.359 4.137 5.925 . 0 0 "[ . 1 . 2]" 1
1722 1 33 ASP H 1 66 LEU H 5.000 . 7.000 3.656 3.320 4.011 . 0 0 "[ . 1 . 2]" 1
1723 1 33 ASP H 1 66 LEU HB2 5.000 . 7.000 5.306 4.896 5.722 . 0 0 "[ . 1 . 2]" 1
1724 1 33 ASP H 1 66 LEU QD 5.500 . 7.500 4.405 4.051 4.671 . 0 0 "[ . 1 . 2]" 1
1725 1 33 ASP QB 1 67 LYS QB 4.000 . 5.000 3.477 2.519 4.565 . 0 0 "[ . 1 . 2]" 1
1726 1 33 ASP H 1 67 LYS HA 3.500 . 4.000 3.096 2.462 3.580 . 0 0 "[ . 1 . 2]" 1
1727 1 33 ASP QB 1 68 MET H 4.000 . 5.000 3.590 3.166 4.360 . 0 0 "[ . 1 . 2]" 1
1728 1 33 ASP H 1 68 MET H 4.000 . 5.000 3.910 3.427 4.401 . 0 0 "[ . 1 . 2]" 1
1729 1 33 ASP HA 1 90 LEU HA 4.000 . 5.000 3.157 2.862 3.529 . 0 0 "[ . 1 . 2]" 1
1730 1 33 ASP HA 1 90 LEU HB2 5.000 . 7.000 5.950 5.480 6.435 . 0 0 "[ . 1 . 2]" 1
1731 1 33 ASP HA 1 90 LEU QD 5.500 . 7.500 3.309 2.133 4.651 . 0 0 "[ . 1 . 2]" 1
1732 1 33 ASP HA 1 90 LEU HG 5.000 . 7.000 4.744 3.763 5.841 . 0 0 "[ . 1 . 2]" 1
1733 1 33 ASP QB 1 90 LEU HA 5.000 . 7.000 4.834 4.024 5.375 . 0 0 "[ . 1 . 2]" 1
1734 1 33 ASP H 1 90 LEU QD 5.500 . 7.500 5.315 4.312 6.460 . 0 0 "[ . 1 . 2]" 1
1735 1 33 ASP HA 1 91 LEU H 5.000 . 7.000 3.795 3.469 4.060 . 0 0 "[ . 1 . 2]" 1
1736 1 34 CYS HA 1 68 MET HB2 4.000 . 6.000 4.349 3.151 5.405 . 0 0 "[ . 1 . 2]" 1
1737 1 34 CYS HA 1 68 MET HB3 5.000 . 7.000 4.284 2.827 5.616 . 0 0 "[ . 1 . 2]" 1
1738 1 34 CYS HA 1 70 MET ME 5.500 . 7.500 4.267 3.357 5.899 . 0 0 "[ . 1 . 2]" 1
1739 1 34 CYS HA 1 70 MET QG 5.000 . 7.000 4.267 3.107 6.294 . 0 0 "[ . 1 . 2]" 1
1740 1 34 CYS HB2 1 70 MET ME 4.500 . 5.500 3.538 2.505 5.420 . 0 0 "[ . 1 . 2]" 1
1741 1 34 CYS HB3 1 70 MET ME 5.500 . 7.500 2.841 1.779 4.856 0.021 17 0 "[ . 1 . 2]" 1
1742 1 34 CYS HB3 1 70 MET QG 4.000 . 5.000 3.423 2.111 5.002 0.002 17 0 "[ . 1 . 2]" 1
1743 1 34 CYS HB2 1 84 VAL QG 5.000 . 7.000 4.518 3.515 6.388 . 0 0 "[ . 1 . 2]" 1
1744 1 34 CYS HB3 1 84 VAL QG 5.000 . 7.000 4.353 3.509 5.942 . 0 0 "[ . 1 . 2]" 1
1745 1 34 CYS HA 1 89 THR HB 5.000 . 7.000 4.876 4.316 5.432 . 0 0 "[ . 1 . 2]" 1
1746 1 34 CYS HB2 1 89 THR H 4.000 . 5.000 3.847 3.363 5.027 0.027 18 0 "[ . 1 . 2]" 1
1747 1 34 CYS HB2 1 89 THR HB 3.500 . 4.000 2.350 1.755 3.842 0.045 7 0 "[ . 1 . 2]" 1
1748 1 34 CYS HB2 1 89 THR MG 5.500 . 7.500 3.411 2.758 4.671 . 0 0 "[ . 1 . 2]" 1
1749 1 34 CYS HB3 1 89 THR H 4.000 . 5.000 4.575 3.282 5.040 0.040 7 0 "[ . 1 . 2]" 1
1750 1 34 CYS HB3 1 89 THR HB 4.000 . 5.000 3.284 2.080 4.235 . 0 0 "[ . 1 . 2]" 1
1751 1 34 CYS HB3 1 89 THR MG 5.500 . 7.500 4.302 2.974 5.283 . 0 0 "[ . 1 . 2]" 1
1752 1 34 CYS H 1 89 THR H 4.000 . 5.000 3.560 2.903 3.906 . 0 0 "[ . 1 . 2]" 1
1753 1 34 CYS H 1 89 THR HB 5.000 . 7.000 3.767 2.528 4.452 . 0 0 "[ . 1 . 2]" 1
1754 1 34 CYS H 1 89 THR MG 5.500 . 7.500 4.437 3.962 4.778 . 0 0 "[ . 1 . 2]" 1
1755 1 34 CYS H 1 90 LEU HA 5.000 . 7.000 3.392 2.949 3.943 . 0 0 "[ . 1 . 2]" 1
1756 1 34 CYS H 1 90 LEU QD 5.500 . 7.500 3.780 2.607 4.842 . 0 0 "[ . 1 . 2]" 1
1757 1 35 PHE HA 1 42 CYS HB2 5.000 . 7.000 5.772 4.489 7.034 0.034 11 0 "[ . 1 . 2]" 1
1758 1 35 PHE HA 1 42 CYS HB3 5.000 . 7.000 5.697 3.951 6.898 . 0 0 "[ . 1 . 2]" 1
1759 1 35 PHE QB 1 42 CYS HB2 4.000 . 5.000 3.679 2.406 4.784 . 0 0 "[ . 1 . 2]" 1
1760 1 35 PHE QB 1 42 CYS HB3 4.000 . 5.000 3.569 2.276 4.760 . 0 0 "[ . 1 . 2]" 1
1761 1 35 PHE QD 1 42 CYS HB2 5.500 . 7.500 4.579 3.043 5.922 . 0 0 "[ . 1 . 2]" 1
1762 1 35 PHE QD 1 42 CYS HB3 5.500 . 7.500 4.470 3.180 5.874 . 0 0 "[ . 1 . 2]" 1
1763 1 35 PHE QD 1 67 LYS QE 5.500 . 7.500 4.360 2.919 5.438 . 0 0 "[ . 1 . 2]" 1
1764 1 35 PHE QE 1 67 LYS QB 4.500 . 5.500 3.811 1.871 5.058 . 0 0 "[ . 1 . 2]" 1
1765 1 35 PHE QE 1 67 LYS QD 5.500 . 7.500 3.476 2.017 4.401 . 0 0 "[ . 1 . 2]" 1
1766 1 35 PHE QE 1 67 LYS QE 4.500 . 5.500 2.730 1.835 4.524 . 0 0 "[ . 1 . 2]" 1
1767 1 35 PHE QE 1 67 LYS QG 5.500 . 7.500 2.723 1.787 4.401 0.013 11 0 "[ . 1 . 2]" 1
1768 1 35 PHE QD 1 68 MET H 4.500 . 5.500 4.065 3.327 4.809 . 0 0 "[ . 1 . 2]" 1
1769 1 35 PHE QE 1 68 MET H 4.500 . 5.500 3.835 2.650 4.908 . 0 0 "[ . 1 . 2]" 1
1770 1 35 PHE QE 1 68 MET HA 5.500 . 7.500 5.025 4.072 6.139 . 0 0 "[ . 1 . 2]" 1
1771 1 35 PHE QE 1 69 ASP H 5.500 . 7.500 5.010 3.896 5.990 . 0 0 "[ . 1 . 2]" 1
1772 1 35 PHE QE 1 69 ASP HA 5.500 . 7.500 3.926 3.192 4.699 . 0 0 "[ . 1 . 2]" 1
1773 1 35 PHE QE 1 69 ASP HB2 5.500 . 7.500 5.270 4.156 6.201 . 0 0 "[ . 1 . 2]" 1
1774 1 35 PHE QE 1 69 ASP HB3 5.500 . 7.500 5.450 4.302 6.503 . 0 0 "[ . 1 . 2]" 1
1775 1 35 PHE HZ 1 69 ASP H 5.000 . 7.000 5.810 4.566 7.001 0.001 2 0 "[ . 1 . 2]" 1
1776 1 35 PHE HZ 1 69 ASP HA 5.000 . 7.000 4.474 3.430 5.331 . 0 0 "[ . 1 . 2]" 1
1777 1 35 PHE HZ 1 69 ASP HB2 5.000 . 7.000 5.383 3.664 6.820 . 0 0 "[ . 1 . 2]" 1
1778 1 35 PHE HZ 1 69 ASP HB3 5.000 . 7.000 5.710 4.287 6.987 . 0 0 "[ . 1 . 2]" 1
1779 1 35 PHE HA 1 87 TYR QB 5.000 . 7.000 4.781 4.390 5.264 . 0 0 "[ . 1 . 2]" 1
1780 1 35 PHE HA 1 87 TYR QD 5.500 . 7.500 6.287 5.801 6.870 . 0 0 "[ . 1 . 2]" 1
1781 1 35 PHE HA 1 88 PRO HA 5.000 . 7.000 2.635 1.923 3.191 . 0 0 "[ . 1 . 2]" 1
1782 1 36 THR MG 1 70 MET HB2 5.500 . 7.500 3.721 2.783 4.776 . 0 0 "[ . 1 . 2]" 1
1783 1 36 THR MG 1 70 MET QG 5.500 . 7.500 3.876 1.998 5.397 . 0 0 "[ . 1 . 2]" 1
1784 1 36 THR MG 1 71 GLU H 5.500 . 7.500 5.911 4.798 6.951 . 0 0 "[ . 1 . 2]" 1
1785 1 36 THR MG 1 71 GLU HB2 5.500 . 7.500 6.004 3.623 7.503 0.003 7 0 "[ . 1 . 2]" 1
1786 1 36 THR MG 1 71 GLU HG2 5.500 . 7.500 6.111 3.388 7.507 0.007 1 0 "[ . 1 . 2]" 1
1787 1 36 THR MG 1 71 GLU HG3 5.500 . 7.500 6.044 2.859 7.540 0.040 9 0 "[ . 1 . 2]" 1
1788 1 36 THR MG 1 87 TYR QD 6.000 . 8.000 3.013 1.782 5.870 0.018 5 0 "[ . 1 . 2]" 1
1789 1 36 THR MG 1 87 TYR QE 6.000 . 8.000 4.133 2.694 6.687 . 0 0 "[ . 1 . 2]" 1
1790 1 38 TRP HZ2 1 87 TYR QE 4.500 . 5.500 5.188 4.146 5.546 0.046 16 0 "[ . 1 . 2]" 1
1791 1 38 TRP HZ3 1 87 TYR QD 5.500 . 7.500 6.009 3.352 7.567 0.067 18 0 "[ . 1 . 2]" 1
1792 1 38 TRP HZ3 1 87 TYR QE 5.500 . 7.500 4.998 2.852 6.416 . 0 0 "[ . 1 . 2]" 1
1793 1 41 PRO HA 1 88 PRO QD 5.000 . 7.000 5.769 4.674 6.829 . 0 0 "[ . 1 . 2]" 1
1794 1 41 PRO HB2 1 88 PRO QD 4.000 . 5.000 3.587 2.172 4.812 . 0 0 "[ . 1 . 2]" 1
1795 1 41 PRO HG2 1 88 PRO QD 5.000 . 7.000 2.975 2.105 3.651 . 0 0 "[ . 1 . 2]" 1
1796 1 41 PRO HB2 1 105 GLY HA2 5.000 . 7.000 5.782 4.451 6.994 . 0 0 "[ . 1 . 2]" 1
1797 1 41 PRO HB2 1 106 ALA MB 5.500 . 7.500 4.026 1.790 6.402 0.010 8 0 "[ . 1 . 2]" 1
1798 1 42 CYS HA 1 88 PRO HB2 5.000 . 7.000 5.113 4.207 6.651 . 0 0 "[ . 1 . 2]" 1
1799 1 42 CYS HA 1 88 PRO HB3 5.000 . 7.000 3.872 2.873 5.026 . 0 0 "[ . 1 . 2]" 1
1800 1 42 CYS HA 1 88 PRO QG 4.000 . 5.000 4.394 2.616 5.078 0.078 6 0 "[ . 1 . 2]" 1
1801 1 45 LEU QD 1 88 PRO HB2 5.500 . 7.500 3.740 2.866 4.744 . 0 0 "[ . 1 . 2]" 1
1802 1 45 LEU QD 1 88 PRO HB3 5.500 . 7.500 3.672 2.303 4.752 . 0 0 "[ . 1 . 2]" 1
1803 1 45 LEU QD 1 88 PRO QD 5.500 . 7.500 5.359 4.079 6.433 . 0 0 "[ . 1 . 2]" 1
1804 1 45 LEU QD 1 88 PRO QG 5.500 . 7.500 3.927 2.484 5.201 . 0 0 "[ . 1 . 2]" 1
1805 1 45 LEU HA 1 106 ALA MB 5.500 . 7.500 5.016 3.691 6.554 . 0 0 "[ . 1 . 2]" 1
1806 1 45 LEU QD 1 106 ALA HA 4.500 . 5.500 3.777 2.964 4.619 . 0 0 "[ . 1 . 2]" 1
1807 1 45 LEU QD 1 106 ALA MB 6.000 . 8.000 1.914 1.586 2.477 0.214 17 0 "[ . 1 . 2]" 1
1808 1 45 LEU QD 1 107 GLU H 5.500 . 7.500 3.801 3.168 4.435 . 0 0 "[ . 1 . 2]" 1
1809 1 48 VAL QG 1 109 ALA H 5.000 . 7.000 3.139 1.848 5.251 . 0 0 "[ . 1 . 2]" 1
1810 1 49 VAL MG2 1 108 ASP HA 5.500 . 7.500 4.084 2.224 6.892 . 0 0 "[ . 1 . 2]" 1
1811 1 49 VAL HA 1 109 ALA MB 5.500 . 7.500 2.685 1.826 3.462 . 0 0 "[ . 1 . 2]" 1
1812 1 49 VAL MG1 1 109 ALA H 4.500 . 5.500 4.443 2.271 5.604 0.104 18 0 "[ . 1 . 2]" 1
1813 1 49 VAL MG2 1 109 ALA H 5.500 . 7.500 3.551 2.157 6.426 . 0 0 "[ . 1 . 2]" 1
1814 1 49 VAL MG2 1 109 ALA MB 6.000 . 8.000 2.687 1.834 4.916 . 0 0 "[ . 1 . 2]" 1
1815 1 50 PHE QD 1 56 ALA HA 5.500 . 7.500 5.909 3.402 7.491 . 0 0 "[ . 1 . 2]" 1
1816 1 50 PHE QE 1 67 LYS QB 5.500 . 7.500 6.405 5.258 7.557 0.057 11 0 "[ . 1 . 2]" 1
1817 1 50 PHE QE 1 67 LYS QE 5.500 . 7.500 6.446 4.191 7.537 0.037 10 0 "[ . 1 . 2]" 1
1818 1 50 PHE QE 1 90 LEU QD 6.000 . 8.000 5.156 3.334 6.280 . 0 0 "[ . 1 . 2]" 1
1819 1 50 PHE QE 1 112 LEU QD 6.000 . 8.000 4.544 2.436 6.684 . 0 0 "[ . 1 . 2]" 1
1820 1 52 ASP HA 1 109 ALA MB 5.500 . 7.500 6.170 4.667 7.479 . 0 0 "[ . 1 . 2]" 1
1821 1 52 ASP HB2 1 109 ALA MB 5.500 . 7.500 4.165 2.730 5.364 . 0 0 "[ . 1 . 2]" 1
1822 1 52 ASP HB3 1 109 ALA MB 5.000 . 7.000 4.202 2.666 5.619 . 0 0 "[ . 1 . 2]" 1
1823 1 55 VAL HB 1 109 ALA MB 5.500 . 7.500 4.292 3.017 5.927 . 0 0 "[ . 1 . 2]" 1
1824 1 55 VAL MG2 1 109 ALA HA 5.500 . 7.500 4.433 2.550 5.633 . 0 0 "[ . 1 . 2]" 1
1825 1 55 VAL MG2 1 110 PRO HA 5.500 . 7.500 4.980 3.585 7.244 . 0 0 "[ . 1 . 2]" 1
1826 1 55 VAL MG1 1 112 LEU H 5.500 . 7.500 6.454 5.302 7.481 . 0 0 "[ . 1 . 2]" 1
1827 1 58 TYR HB2 1 113 LEU QD 5.500 . 7.500 4.336 3.091 5.128 . 0 0 "[ . 1 . 2]" 1
1828 1 58 TYR HB3 1 113 LEU QD 5.500 . 7.500 3.839 2.914 4.539 . 0 0 "[ . 1 . 2]" 1
1829 1 58 TYR QD 1 113 LEU QD 6.000 . 8.000 2.975 2.260 4.419 . 0 0 "[ . 1 . 2]" 1
1830 1 58 TYR QE 1 113 LEU QD 6.000 . 8.000 2.936 2.119 4.722 . 0 0 "[ . 1 . 2]" 1
1831 1 58 TYR H 1 113 LEU QD 5.500 . 7.500 5.542 4.398 6.321 . 0 0 "[ . 1 . 2]" 1
1832 1 58 TYR QD 1 116 VAL MG2 6.000 . 8.000 5.529 4.373 6.668 . 0 0 "[ . 1 . 2]" 1
1833 1 58 TYR QE 1 116 VAL MG2 6.000 . 8.000 4.739 2.932 6.022 . 0 0 "[ . 1 . 2]" 1
1834 1 58 TYR QD 1 117 LYS HE2 5.500 . 7.500 6.433 5.192 7.575 0.075 20 0 "[ . 1 . 2]" 1
1835 1 58 TYR QE 1 117 LYS HA 5.500 . 7.500 5.715 4.543 7.162 . 0 0 "[ . 1 . 2]" 1
1836 1 58 TYR QE 1 117 LYS QB 5.500 . 7.500 5.235 4.302 6.706 . 0 0 "[ . 1 . 2]" 1
1837 1 58 TYR QE 1 117 LYS QD 5.500 . 7.500 5.154 2.836 6.668 . 0 0 "[ . 1 . 2]" 1
1838 1 58 TYR QE 1 117 LYS HE2 5.500 . 7.500 4.620 3.626 6.002 . 0 0 "[ . 1 . 2]" 1
1839 1 58 TYR QE 1 117 LYS HE3 5.500 . 7.500 4.999 3.239 6.568 . 0 0 "[ . 1 . 2]" 1
1840 1 58 TYR QE 1 117 LYS HG2 5.500 . 7.500 5.831 3.359 7.535 0.035 10 0 "[ . 1 . 2]" 1
1841 1 58 TYR QE 1 117 LYS HG3 5.500 . 7.500 5.291 3.293 7.367 . 0 0 "[ . 1 . 2]" 1
1842 1 58 TYR QE 1 120 VAL MG1 6.000 . 8.000 6.951 5.927 7.942 . 0 0 "[ . 1 . 2]" 1
1843 1 58 TYR QE 1 120 VAL MG2 6.000 . 8.000 6.286 5.066 7.771 . 0 0 "[ . 1 . 2]" 1
1844 1 59 PHE HB3 1 65 ASN HD22 5.000 . 7.000 3.086 1.791 6.736 0.009 3 0 "[ . 1 . 2]" 1
1845 1 59 PHE QE 1 90 LEU QD 6.000 . 8.000 4.387 3.234 6.071 . 0 0 "[ . 1 . 2]" 1
1846 1 59 PHE QD 1 92 PHE QE 6.000 . 8.000 5.125 3.406 6.458 . 0 0 "[ . 1 . 2]" 1
1847 1 59 PHE QE 1 92 PHE QE 6.000 . 8.000 3.830 2.236 5.151 . 0 0 "[ . 1 . 2]" 1
1848 1 59 PHE HZ 1 92 PHE QE 5.500 . 7.500 5.196 3.931 6.765 . 0 0 "[ . 1 . 2]" 1
1849 1 59 PHE QE 1 112 LEU QD 6.000 . 8.000 3.434 2.424 4.776 . 0 0 "[ . 1 . 2]" 1
1850 1 59 PHE HZ 1 112 LEU HB3 5.000 . 7.000 4.873 3.512 6.775 . 0 0 "[ . 1 . 2]" 1
1851 1 59 PHE HZ 1 112 LEU QD 5.500 . 7.500 3.386 2.506 4.642 . 0 0 "[ . 1 . 2]" 1
1852 1 59 PHE QD 1 113 LEU QD 6.000 . 8.000 3.776 2.215 5.254 . 0 0 "[ . 1 . 2]" 1
1853 1 59 PHE QE 1 113 LEU HA 5.500 . 7.500 3.948 3.076 4.690 . 0 0 "[ . 1 . 2]" 1
1854 1 59 PHE QE 1 113 LEU QD 6.000 . 8.000 2.689 1.794 4.425 0.006 1 0 "[ . 1 . 2]" 1
1855 1 59 PHE QE 1 113 LEU HG 5.500 . 7.500 5.013 3.566 6.469 . 0 0 "[ . 1 . 2]" 1
1856 1 59 PHE H 1 113 LEU QD 5.500 . 7.500 5.044 4.225 6.048 . 0 0 "[ . 1 . 2]" 1
1857 1 59 PHE HZ 1 113 LEU HA 5.000 . 7.000 3.636 2.173 6.389 . 0 0 "[ . 1 . 2]" 1
1858 1 59 PHE HZ 1 113 LEU QD 5.500 . 7.500 3.326 2.299 5.791 . 0 0 "[ . 1 . 2]" 1
1859 1 59 PHE QD 1 116 VAL MG1 6.000 . 8.000 4.551 3.058 5.596 . 0 0 "[ . 1 . 2]" 1
1860 1 59 PHE QD 1 116 VAL MG2 6.000 . 8.000 4.528 3.603 5.179 . 0 0 "[ . 1 . 2]" 1
1861 1 59 PHE QE 1 116 VAL HB 5.500 . 7.500 4.124 3.042 5.061 . 0 0 "[ . 1 . 2]" 1
1862 1 59 PHE QE 1 116 VAL MG1 6.000 . 8.000 3.010 2.079 3.726 . 0 0 "[ . 1 . 2]" 1
1863 1 59 PHE QE 1 116 VAL MG2 6.000 . 8.000 2.809 2.242 3.565 . 0 0 "[ . 1 . 2]" 1
1864 1 59 PHE HZ 1 116 VAL HB 5.000 . 7.000 4.116 3.105 5.785 . 0 0 "[ . 1 . 2]" 1
1865 1 59 PHE HZ 1 116 VAL MG1 4.500 . 5.500 3.336 2.305 4.979 . 0 0 "[ . 1 . 2]" 1
1866 1 59 PHE HZ 1 116 VAL MG2 4.500 . 5.500 3.032 1.791 4.953 0.009 17 0 "[ . 1 . 2]" 1
1867 1 63 PHE HB2 1 92 PHE QE 5.500 . 7.500 6.290 4.825 7.238 . 0 0 "[ . 1 . 2]" 1
1868 1 63 PHE HB3 1 92 PHE QE 5.500 . 7.500 6.086 4.407 6.995 . 0 0 "[ . 1 . 2]" 1
1869 1 63 PHE QD 1 92 PHE QE 6.000 . 8.000 5.129 3.728 6.418 . 0 0 "[ . 1 . 2]" 1
1870 1 63 PHE QE 1 92 PHE QE 6.000 . 8.000 4.731 3.250 6.383 . 0 0 "[ . 1 . 2]" 1
1871 1 63 PHE QE 1 116 VAL MG1 6.000 . 8.000 4.159 2.746 6.126 . 0 0 "[ . 1 . 2]" 1
1872 1 63 PHE QE 1 120 VAL MG1 6.000 . 8.000 4.134 2.788 5.548 . 0 0 "[ . 1 . 2]" 1
1873 1 63 PHE QE 1 120 VAL MG2 6.000 . 8.000 4.001 2.211 5.341 . 0 0 "[ . 1 . 2]" 1
1874 1 63 PHE HZ 1 120 VAL MG1 5.500 . 7.500 4.427 3.428 6.571 . 0 0 "[ . 1 . 2]" 1
1875 1 68 MET ME 1 74 GLU QG 4.500 . 5.500 3.842 1.770 5.508 0.030 20 0 "[ . 1 . 2]" 1
1876 1 68 MET ME 1 75 GLY HA2 5.500 . 7.500 4.288 2.469 6.192 . 0 0 "[ . 1 . 2]" 1
1877 1 68 MET HB2 1 78 LEU QD 5.500 . 7.500 3.910 2.415 5.249 . 0 0 "[ . 1 . 2]" 1
1878 1 68 MET HB3 1 78 LEU QD 5.500 . 7.500 3.545 2.545 4.430 . 0 0 "[ . 1 . 2]" 1
1879 1 68 MET ME 1 78 LEU QD 6.000 . 8.000 2.779 1.811 4.415 . 0 0 "[ . 1 . 2]" 1
1880 1 68 MET QG 1 78 LEU QD 4.500 . 5.500 3.366 1.811 4.792 . 0 0 "[ . 1 . 2]" 1
1881 1 70 MET ME 1 78 LEU HA 5.500 . 7.500 6.988 6.073 7.542 0.042 11 0 "[ . 1 . 2]" 1
1882 1 70 MET ME 1 78 LEU HB2 4.500 . 5.500 5.311 4.483 5.582 0.082 5 0 "[ . 1 . 2]" 1
1883 1 70 MET ME 1 78 LEU QD 6.000 . 8.000 5.333 4.785 5.776 . 0 0 "[ . 1 . 2]" 1
1884 1 70 MET HA 1 79 ARG HB3 5.000 . 7.000 5.546 4.699 6.629 . 0 0 "[ . 1 . 2]" 1
1885 1 70 MET HA 1 79 ARG QD 5.000 . 7.000 4.743 3.499 6.691 . 0 0 "[ . 1 . 2]" 1
1886 1 70 MET HB3 1 79 ARG QD 5.000 . 7.000 3.495 1.953 5.916 . 0 0 "[ . 1 . 2]" 1
1887 1 70 MET ME 1 79 ARG HB3 5.500 . 7.500 5.092 3.803 6.185 . 0 0 "[ . 1 . 2]" 1
1888 1 70 MET ME 1 79 ARG QD 5.500 . 7.500 3.907 2.385 5.363 . 0 0 "[ . 1 . 2]" 1
1889 1 70 MET QG 1 79 ARG QD 5.000 . 7.000 3.983 2.117 6.541 . 0 0 "[ . 1 . 2]" 1
1890 1 70 MET ME 1 82 TYR QD 6.000 . 8.000 6.055 5.004 7.011 . 0 0 "[ . 1 . 2]" 1
1891 1 70 MET ME 1 84 VAL QG 5.500 . 7.500 2.043 1.732 2.549 0.068 3 0 "[ . 1 . 2]" 1
1892 1 70 MET QG 1 84 VAL QG 5.000 . 7.000 3.857 3.104 4.659 . 0 0 "[ . 1 . 2]" 1
1893 1 70 MET ME 1 85 HIS HA 5.500 . 7.500 5.931 3.845 7.522 0.022 19 0 "[ . 1 . 2]" 1
1894 1 70 MET ME 1 87 TYR QD 6.000 . 8.000 5.810 4.783 6.720 . 0 0 "[ . 1 . 2]" 1
1895 1 70 MET ME 1 87 TYR QE 6.000 . 8.000 7.252 6.256 8.018 0.018 1 0 "[ . 1 . 2]" 1
1896 1 70 MET ME 1 89 THR HB 5.500 . 7.500 3.480 2.088 5.086 . 0 0 "[ . 1 . 2]" 1
1897 1 70 MET QG 1 89 THR HB 5.000 . 7.000 5.373 4.295 6.636 . 0 0 "[ . 1 . 2]" 1
1898 1 70 MET ME 1 91 LEU QD 6.000 . 8.000 4.765 3.898 6.251 . 0 0 "[ . 1 . 2]" 1
1899 1 78 LEU QD 1 91 LEU QD 6.000 . 8.000 3.051 2.208 4.797 . 0 0 "[ . 1 . 2]" 1
1900 1 82 TYR QD 1 89 THR MG 6.000 . 8.000 4.705 3.824 5.786 . 0 0 "[ . 1 . 2]" 1
1901 1 82 TYR HA 1 91 LEU QD 5.500 . 7.500 4.645 3.875 5.376 . 0 0 "[ . 1 . 2]" 1
1902 1 82 TYR HB2 1 91 LEU QD 5.500 . 7.500 3.321 2.669 4.225 . 0 0 "[ . 1 . 2]" 1
1903 1 82 TYR HB3 1 91 LEU QD 5.500 . 7.500 3.074 2.148 4.260 . 0 0 "[ . 1 . 2]" 1
1904 1 82 TYR QD 1 91 LEU QD 6.000 . 8.000 2.556 2.094 3.177 . 0 0 "[ . 1 . 2]" 1
1905 1 82 TYR QE 1 91 LEU HB2 5.500 . 7.500 5.360 4.566 6.169 . 0 0 "[ . 1 . 2]" 1
1906 1 82 TYR QE 1 91 LEU QD 6.000 . 8.000 2.653 1.759 3.369 0.041 18 0 "[ . 1 . 2]" 1
1907 1 82 TYR QD 1 92 PHE H 5.500 . 7.500 6.422 5.884 6.891 . 0 0 "[ . 1 . 2]" 1
1908 1 82 TYR QD 1 92 PHE QD 6.000 . 8.000 7.887 7.391 8.073 0.073 18 0 "[ . 1 . 2]" 1
1909 1 82 TYR QE 1 93 ILE MD 6.000 . 8.000 3.465 1.795 4.251 0.005 9 0 "[ . 1 . 2]" 1
1910 1 82 TYR QE 1 93 ILE MG 6.000 . 8.000 5.325 3.785 5.928 . 0 0 "[ . 1 . 2]" 1
1911 1 82 TYR QE 1 98 GLU HA 5.500 . 7.500 5.921 4.437 6.853 . 0 0 "[ . 1 . 2]" 1
1912 1 82 TYR HA 1 99 VAL MG1 4.500 . 5.500 5.225 4.457 5.647 0.147 5 0 "[ . 1 . 2]" 1
1913 1 82 TYR QD 1 99 VAL H 5.500 . 7.500 6.559 5.327 7.481 . 0 0 "[ . 1 . 2]" 1
1914 1 82 TYR QD 1 99 VAL MG1 5.000 . 7.000 3.160 2.256 4.095 . 0 0 "[ . 1 . 2]" 1
1915 1 82 TYR QD 1 99 VAL MG2 6.000 . 8.000 3.619 2.189 4.934 . 0 0 "[ . 1 . 2]" 1
1916 1 82 TYR QE 1 99 VAL H 5.500 . 7.500 4.773 3.472 5.925 . 0 0 "[ . 1 . 2]" 1
1917 1 82 TYR QE 1 99 VAL MG1 5.000 . 7.000 2.382 1.771 3.778 0.029 15 0 "[ . 1 . 2]" 1
1918 1 82 TYR QE 1 99 VAL MG2 6.000 . 8.000 2.665 1.780 4.175 0.020 5 0 "[ . 1 . 2]" 1
1919 1 82 TYR HA 1 102 ARG QB 4.500 . 5.500 5.417 4.891 5.620 0.120 20 0 "[ . 1 . 2]" 1
1920 1 82 TYR QD 1 102 ARG QB 5.500 . 7.500 4.059 2.789 4.921 . 0 0 "[ . 1 . 2]" 1
1921 1 82 TYR HB3 1 104 VAL MG2 5.500 . 7.500 6.045 4.477 7.476 . 0 0 "[ . 1 . 2]" 1
1922 1 86 ALA HA 1 104 VAL MG1 5.500 . 7.500 5.228 3.911 7.534 0.034 15 0 "[ . 1 . 2]" 1
1923 1 86 ALA H 1 104 VAL MG1 5.500 . 7.500 3.954 2.956 6.047 . 0 0 "[ . 1 . 2]" 1
1924 1 87 TYR H 1 104 VAL MG1 5.500 . 7.500 5.435 4.000 7.223 . 0 0 "[ . 1 . 2]" 1
1925 1 88 PRO QD 1 105 GLY HA2 5.000 . 7.000 3.006 1.916 3.977 . 0 0 "[ . 1 . 2]" 1
1926 1 88 PRO QG 1 105 GLY HA2 5.000 . 7.000 2.681 1.925 3.693 . 0 0 "[ . 1 . 2]" 1
1927 1 88 PRO QG 1 105 GLY HA3 4.000 . 5.000 4.189 3.588 4.860 . 0 0 "[ . 1 . 2]" 1
1928 1 88 PRO HB2 1 106 ALA MB 5.500 . 7.500 2.641 1.868 4.024 . 0 0 "[ . 1 . 2]" 1
1929 1 88 PRO HB3 1 106 ALA MB 5.500 . 7.500 3.487 2.850 5.012 . 0 0 "[ . 1 . 2]" 1
1930 1 88 PRO QD 1 106 ALA MB 5.500 . 7.500 4.355 3.107 5.950 . 0 0 "[ . 1 . 2]" 1
1931 1 89 THR MG 1 102 ARG HA 5.500 . 7.500 4.738 4.012 5.299 . 0 0 "[ . 1 . 2]" 1
1932 1 89 THR MG 1 102 ARG QB 5.500 . 7.500 4.164 2.877 5.380 . 0 0 "[ . 1 . 2]" 1
1933 1 89 THR MG 1 102 ARG HD2 5.500 . 7.500 5.445 2.961 7.231 . 0 0 "[ . 1 . 2]" 1
1934 1 89 THR MG 1 102 ARG HD3 5.500 . 7.500 5.866 3.995 7.079 . 0 0 "[ . 1 . 2]" 1
1935 1 89 THR HA 1 103 LEU H 5.000 . 7.000 5.269 4.724 5.726 . 0 0 "[ . 1 . 2]" 1
1936 1 89 THR HA 1 104 VAL HA 2.500 . 3.000 2.762 2.384 3.135 0.135 6 0 "[ . 1 . 2]" 1
1937 1 89 THR HA 1 104 VAL MG1 5.500 . 7.500 3.926 3.078 5.464 . 0 0 "[ . 1 . 2]" 1
1938 1 89 THR HA 1 104 VAL MG2 4.500 . 5.500 4.681 3.830 5.489 . 0 0 "[ . 1 . 2]" 1
1939 1 89 THR HB 1 104 VAL HA 5.000 . 7.000 5.141 4.429 5.682 . 0 0 "[ . 1 . 2]" 1
1940 1 89 THR HB 1 104 VAL MG2 5.000 . 7.000 5.978 4.509 7.061 0.061 17 0 "[ . 1 . 2]" 1
1941 1 89 THR MG 1 104 VAL HA 5.500 . 7.500 2.782 1.778 3.747 0.022 8 0 "[ . 1 . 2]" 1
1942 1 89 THR HA 1 105 GLY H 4.000 . 5.000 2.874 2.126 3.438 . 0 0 "[ . 1 . 2]" 1
1943 1 90 LEU HB2 1 103 LEU HB2 3.500 . 4.000 3.423 2.274 4.026 0.026 16 0 "[ . 1 . 2]" 1
1944 1 90 LEU HB2 1 103 LEU HB3 4.000 . 5.000 1.931 1.753 2.371 0.047 20 0 "[ . 1 . 2]" 1
1945 1 90 LEU H 1 103 LEU H 4.000 . 5.000 3.817 3.328 4.313 . 0 0 "[ . 1 . 2]" 1
1946 1 90 LEU H 1 103 LEU HB3 5.000 . 7.000 3.102 2.564 3.654 . 0 0 "[ . 1 . 2]" 1
1947 1 90 LEU H 1 104 VAL HA 4.000 . 5.000 3.552 3.040 3.930 . 0 0 "[ . 1 . 2]" 1
1948 1 90 LEU H 1 104 VAL MG1 5.500 . 7.500 4.972 4.176 5.940 . 0 0 "[ . 1 . 2]" 1
1949 1 90 LEU QD 1 105 GLY H 5.500 . 7.500 4.191 3.106 5.388 . 0 0 "[ . 1 . 2]" 1
1950 1 90 LEU H 1 105 GLY H 5.000 . 7.000 3.906 3.122 4.613 . 0 0 "[ . 1 . 2]" 1
1951 1 90 LEU H 1 112 LEU QD 5.500 . 7.500 5.585 4.887 6.342 . 0 0 "[ . 1 . 2]" 1
1952 1 91 LEU HA 1 99 VAL MG1 5.000 . 6.000 4.955 3.847 6.040 0.040 7 0 "[ . 1 . 2]" 1
1953 1 91 LEU QD 1 99 VAL MG1 6.000 . 8.000 3.206 2.009 4.498 . 0 0 "[ . 1 . 2]" 1
1954 1 91 LEU HA 1 102 ARG HA 3.500 . 4.000 3.218 2.588 4.032 0.032 11 0 "[ . 1 . 2]" 1
1955 1 91 LEU QD 1 102 ARG HA 5.500 . 7.500 2.947 1.854 4.076 . 0 0 "[ . 1 . 2]" 1
1956 1 91 LEU QD 1 102 ARG QB 4.500 . 5.500 3.131 2.085 4.765 . 0 0 "[ . 1 . 2]" 1
1957 1 91 LEU QD 1 102 ARG HD2 5.500 . 7.500 4.323 2.964 5.615 . 0 0 "[ . 1 . 2]" 1
1958 1 91 LEU QD 1 102 ARG HD3 5.500 . 7.500 4.515 3.140 6.271 . 0 0 "[ . 1 . 2]" 1
1959 1 91 LEU QD 1 103 LEU H 5.500 . 7.500 3.440 2.491 4.909 . 0 0 "[ . 1 . 2]" 1
1960 1 91 LEU H 1 112 LEU QD 5.500 . 7.500 6.920 6.334 7.134 . 0 0 "[ . 1 . 2]" 1
1961 1 92 PHE H 1 99 VAL MG2 5.500 . 7.500 4.842 2.317 6.400 . 0 0 "[ . 1 . 2]" 1
1962 1 92 PHE HB2 1 101 TYR H 3.500 . 4.000 2.727 2.109 3.848 . 0 0 "[ . 1 . 2]" 1
1963 1 92 PHE HB2 1 101 TYR HB2 5.000 . 7.000 4.447 3.480 5.774 . 0 0 "[ . 1 . 2]" 1
1964 1 92 PHE HB2 1 101 TYR QE 5.500 . 7.500 6.216 3.688 7.415 . 0 0 "[ . 1 . 2]" 1
1965 1 92 PHE HB3 1 101 TYR H 4.000 . 5.000 4.118 3.517 4.876 . 0 0 "[ . 1 . 2]" 1
1966 1 92 PHE HB3 1 101 TYR HB2 5.000 . 7.000 5.579 4.483 7.054 0.054 4 0 "[ . 1 . 2]" 1
1967 1 92 PHE H 1 101 TYR H 4.000 . 5.000 3.909 3.362 5.056 0.056 17 0 "[ . 1 . 2]" 1
1968 1 92 PHE QE 1 102 ARG HA 5.500 . 7.500 4.700 3.537 5.720 . 0 0 "[ . 1 . 2]" 1
1969 1 92 PHE H 1 102 ARG HA 4.000 . 5.000 3.532 2.849 4.135 . 0 0 "[ . 1 . 2]" 1
1970 1 92 PHE QE 1 103 LEU HB2 5.500 . 7.500 2.341 1.895 3.083 . 0 0 "[ . 1 . 2]" 1
1971 1 92 PHE QE 1 103 LEU HB3 5.500 . 7.500 2.916 2.015 3.852 . 0 0 "[ . 1 . 2]" 1
1972 1 92 PHE QE 1 112 LEU QD 6.000 . 8.000 4.750 4.019 5.627 . 0 0 "[ . 1 . 2]" 1
1973 1 92 PHE QE 1 116 VAL HA 5.500 . 7.500 3.793 3.167 4.597 . 0 0 "[ . 1 . 2]" 1
1974 1 92 PHE QE 1 116 VAL MG1 6.000 . 8.000 3.114 2.110 4.663 . 0 0 "[ . 1 . 2]" 1
1975 1 92 PHE QE 1 116 VAL MG2 6.000 . 8.000 2.877 1.777 4.853 0.023 5 0 "[ . 1 . 2]" 1
1976 1 92 PHE HB2 1 120 VAL MG1 5.500 . 7.500 5.205 3.399 6.889 . 0 0 "[ . 1 . 2]" 1
1977 1 92 PHE HB2 1 120 VAL MG2 5.500 . 7.500 4.985 3.092 7.323 . 0 0 "[ . 1 . 2]" 1
1978 1 92 PHE HB3 1 120 VAL MG1 5.500 . 7.500 4.578 3.208 6.290 . 0 0 "[ . 1 . 2]" 1
1979 1 92 PHE QD 1 120 VAL MG1 6.000 . 8.000 4.689 3.048 6.381 . 0 0 "[ . 1 . 2]" 1
1980 1 92 PHE QD 1 120 VAL MG2 6.000 . 8.000 4.261 2.595 6.350 . 0 0 "[ . 1 . 2]" 1
1981 1 92 PHE QE 1 120 VAL MG2 6.000 . 8.000 4.533 3.054 7.055 . 0 0 "[ . 1 . 2]" 1
1982 1 93 ILE HA 1 99 VAL HA 3.500 . 4.000 2.633 1.786 4.028 0.028 3 0 "[ . 1 . 2]" 1
1983 1 93 ILE HA 1 99 VAL MG1 5.500 . 7.500 4.202 2.847 5.259 . 0 0 "[ . 1 . 2]" 1
1984 1 93 ILE HA 1 99 VAL MG2 5.500 . 7.500 4.406 3.306 5.704 . 0 0 "[ . 1 . 2]" 1
1985 1 93 ILE MD 1 99 VAL HA 5.500 . 7.500 3.718 2.142 5.694 . 0 0 "[ . 1 . 2]" 1
1986 1 93 ILE MD 1 99 VAL MG1 6.000 . 8.000 3.652 1.826 5.777 . 0 0 "[ . 1 . 2]" 1
1987 1 93 ILE HG12 1 99 VAL HA 4.000 . 5.000 3.970 2.771 4.950 . 0 0 "[ . 1 . 2]" 1
1988 1 93 ILE HG13 1 99 VAL HA 5.000 . 7.000 4.401 2.558 5.737 . 0 0 "[ . 1 . 2]" 1
1989 1 93 ILE MG 1 99 VAL HA 5.500 . 7.500 3.880 3.001 5.359 . 0 0 "[ . 1 . 2]" 1
1990 1 93 ILE HA 1 100 VAL H 4.000 . 5.000 3.236 2.651 4.337 . 0 0 "[ . 1 . 2]" 1
1991 1 93 ILE HG12 1 100 VAL H 5.000 . 7.000 5.272 3.997 6.430 . 0 0 "[ . 1 . 2]" 1
1992 1 93 ILE HA 1 101 TYR H 5.000 . 7.000 4.974 4.410 6.063 . 0 0 "[ . 1 . 2]" 1
1993 1 94 ASN HA 1 100 VAL QG 4.000 . 5.000 4.049 2.892 5.058 0.058 17 0 "[ . 1 . 2]" 1
1994 1 94 ASN HB2 1 100 VAL QG 4.000 . 5.000 3.925 2.088 4.857 . 0 0 "[ . 1 . 2]" 1
1995 1 94 ASN HB3 1 100 VAL QG 4.000 . 5.000 3.492 2.062 4.961 . 0 0 "[ . 1 . 2]" 1
1996 1 94 ASN HD21 1 100 VAL QG 5.000 . 7.000 3.388 1.936 4.317 . 0 0 "[ . 1 . 2]" 1
1997 1 94 ASN HD22 1 100 VAL QG 5.000 . 7.000 3.428 1.996 4.813 . 0 0 "[ . 1 . 2]" 1
1998 1 94 ASN H 1 100 VAL H 5.000 . 7.000 3.994 3.228 4.837 . 0 0 "[ . 1 . 2]" 1
1999 1 94 ASN H 1 100 VAL QG 3.500 . 4.000 3.342 2.301 4.030 0.030 8 0 "[ . 1 . 2]" 1
2000 1 100 VAL QG 1 120 VAL H 5.000 . 7.000 5.329 4.098 6.828 . 0 0 "[ . 1 . 2]" 1
2001 1 101 TYR QE 1 116 VAL H 5.500 . 7.500 6.039 4.287 7.048 . 0 0 "[ . 1 . 2]" 1
2002 1 101 TYR QE 1 116 VAL HA 4.500 . 5.500 4.427 2.700 5.147 . 0 0 "[ . 1 . 2]" 1
2003 1 101 TYR QE 1 116 VAL HB 5.500 . 7.500 6.632 4.435 7.535 0.035 2 0 "[ . 1 . 2]" 1
2004 1 101 TYR QE 1 116 VAL MG1 6.000 . 8.000 5.713 2.833 7.144 . 0 0 "[ . 1 . 2]" 1
2005 1 101 TYR QD 1 119 GLY H 5.500 . 7.500 5.322 4.539 6.419 . 0 0 "[ . 1 . 2]" 1
2006 1 101 TYR QE 1 119 GLY HA3 4.500 . 5.500 3.563 2.724 4.149 . 0 0 "[ . 1 . 2]" 1
2007 1 101 TYR QD 1 120 VAL HA 5.500 . 7.500 4.978 3.013 5.780 . 0 0 "[ . 1 . 2]" 1
2008 1 101 TYR QD 1 120 VAL HB 5.500 . 7.500 6.511 5.045 7.555 0.055 14 0 "[ . 1 . 2]" 1
2009 1 101 TYR QE 1 120 VAL HA 5.500 . 7.500 6.192 3.054 7.399 . 0 0 "[ . 1 . 2]" 1
2010 1 101 TYR QE 1 120 VAL MG1 6.000 . 8.000 6.361 1.981 8.055 0.055 1 0 "[ . 1 . 2]" 1
2011 1 101 TYR H 1 120 VAL MG1 5.500 . 7.500 5.902 4.281 7.356 . 0 0 "[ . 1 . 2]" 1
2012 1 101 TYR H 1 120 VAL MG2 5.500 . 7.500 5.983 4.258 7.539 0.039 18 0 "[ . 1 . 2]" 1
2013 1 103 LEU QD 1 115 LYS QE 5.500 . 7.500 3.068 1.830 4.728 . 0 0 "[ . 1 . 2]" 1
2014 1 103 LEU QD 1 115 LYS HA 5.500 . 7.500 4.255 3.652 4.850 . 0 0 "[ . 1 . 2]" 1
2015 1 103 LEU HB3 1 116 VAL HA 5.000 . 7.000 6.209 5.214 6.997 . 0 0 "[ . 1 . 2]" 1
2016 1 103 LEU QD 1 116 VAL HA 5.500 . 7.500 3.621 2.413 4.494 . 0 0 "[ . 1 . 2]" 1
2017 1 103 LEU QD 1 118 LEU H 5.500 . 7.500 6.128 5.351 6.701 . 0 0 "[ . 1 . 2]" 1
2018 1 106 ALA HA 1 115 LYS HB3 5.000 . 7.000 6.616 5.311 7.081 0.081 19 0 "[ . 1 . 2]" 1
2019 1 106 ALA HA 1 115 LYS HG3 5.000 . 7.000 6.267 5.250 7.117 0.117 18 0 "[ . 1 . 2]" 1
2020 1 106 ALA MB 1 115 LYS HB2 5.500 . 7.500 6.978 6.213 7.520 0.020 8 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 46
_Distance_constraint_stats_list.Viol_count 28
_Distance_constraint_stats_list.Viol_total 21.367
_Distance_constraint_stats_list.Viol_max 0.106
_Distance_constraint_stats_list.Viol_rms 0.0082
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0382
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.607 0.106 5 0 "[ . 1 . 2]"
1 28 LYS 0.036 0.036 3 0 "[ . 1 . 2]"
1 29 LEU 0.036 0.036 3 0 "[ . 1 . 2]"
1 30 LEU 0.607 0.106 5 0 "[ . 1 . 2]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.126 0.067 17 0 "[ . 1 . 2]"
1 35 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 VAL 0.090 0.038 2 0 "[ . 1 . 2]"
1 50 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 VAL 0.090 0.038 2 0 "[ . 1 . 2]"
1 56 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 LEU 0.126 0.067 17 0 "[ . 1 . 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.067 0.054 4 0 "[ . 1 . 2]"
1 81 LYS 0.037 0.021 5 0 "[ . 1 . 2]"
1 82 TYR 0.103 0.054 4 0 "[ . 1 . 2]"
1 84 VAL 0.067 0.054 4 0 "[ . 1 . 2]"
1 88 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 LEU 0.126 0.067 17 0 "[ . 1 . 2]"
1 92 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ILE 0.607 0.106 5 0 "[ . 1 . 2]"
1 99 VAL 0.037 0.021 5 0 "[ . 1 . 2]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 TYR 0.043 0.043 17 0 "[ . 1 . 2]"
1 102 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 ALA 0.090 0.038 2 0 "[ . 1 . 2]"
1 112 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 LEU 0.055 0.043 6 0 "[ . 1 . 2]"
1 114 LYS 0.055 0.043 6 0 "[ . 1 . 2]"
1 115 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 VAL 0.043 0.043 17 0 "[ . 1 . 2]"
1 117 LYS 0.055 0.043 6 0 "[ . 1 . 2]"
1 119 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 VAL 0.043 0.043 17 0 "[ . 1 . 2]"
1 121 GLU 0.008 0.008 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 101 TYR HB3 1 120 VAL MG2 5.500 . 6.500 3.677 2.577 5.114 . 0 0 "[ . 1 . 2]" 2
2 1 29 LEU QD 1 92 PHE HB2 5.500 . 6.500 2.988 2.031 4.562 . 0 0 "[ . 1 . 2]" 2
3 1 41 PRO HA 1 88 PRO QG 4.000 . 5.000 4.077 3.643 4.408 . 0 0 "[ . 1 . 2]" 2
4 1 63 PHE QE 1 116 VAL MG2 5.000 . 6.000 3.584 2.614 4.490 . 0 0 "[ . 1 . 2]" 2
5 1 16 PHE QD 1 93 ILE MG 6.000 . 7.000 5.082 4.250 5.832 . 0 0 "[ . 1 . 2]" 2
6 1 113 LEU HA 1 117 LYS HE3 5.000 . 6.000 4.941 3.144 6.043 0.043 6 0 "[ . 1 . 2]" 2
7 1 103 LEU HB3 1 104 VAL H 4.000 . 5.000 3.433 3.013 4.101 . 0 0 "[ . 1 . 2]" 2
8 1 79 ARG HB2 1 84 VAL H 4.000 . 5.000 3.934 3.037 5.054 0.054 4 0 "[ . 1 . 2]" 2
9 1 29 LEU QD 1 92 PHE HB3 5.500 . 6.500 2.857 2.275 3.934 . 0 0 "[ . 1 . 2]" 2
10 1 31 PHE HZ 1 90 LEU HB3 5.000 . 6.000 2.890 2.068 4.035 . 0 0 "[ . 1 . 2]" 2
11 1 112 LEU QD 1 113 LEU HA 4.500 . 5.500 4.093 3.319 4.453 . 0 0 "[ . 1 . 2]" 2
12 1 106 ALA HA 1 107 GLU HB2 4.000 . 5.000 4.474 4.279 4.653 . 0 0 "[ . 1 . 2]" 2
13 1 91 LEU HB2 1 101 TYR QD 5.500 . 6.500 4.949 4.522 5.246 . 0 0 "[ . 1 . 2]" 2
14 1 32 VAL HB 1 66 LEU QD 4.500 . 5.500 2.666 1.733 3.155 0.067 17 0 "[ . 1 . 2]" 2
15 1 30 LEU QD 1 66 LEU HB3 4.500 . 5.500 3.061 2.346 4.276 . 0 0 "[ . 1 . 2]" 2
16 1 31 PHE QD 1 112 LEU QD 6.000 . 7.000 4.789 3.677 5.537 . 0 0 "[ . 1 . 2]" 2
17 1 23 ALA MB 1 30 LEU HB2 4.500 . 5.500 2.405 1.740 3.915 0.060 16 0 "[ . 1 . 2]" 2
18 1 101 TYR QE 1 103 LEU HB2 4.000 . 5.000 2.531 1.869 3.850 . 0 0 "[ . 1 . 2]" 2
19 1 101 TYR QR 1 102 ARG QB 5.500 . 6.500 4.646 4.174 5.106 . 0 0 "[ . 1 . 2]" 2
20 1 31 PHE QE 1 90 LEU HB3 4.500 . 5.500 2.568 1.891 3.781 . 0 0 "[ . 1 . 2]" 2
21 1 66 LEU QD 1 78 LEU QD 5.000 . 6.000 3.798 2.544 4.502 . 0 0 "[ . 1 . 2]" 2
22 1 23 ALA HA 1 30 LEU HA 5.000 . 6.000 4.616 4.265 5.156 . 0 0 "[ . 1 . 2]" 2
23 1 56 ALA MB 1 57 ASP HB3 5.500 . 6.500 3.870 3.581 4.354 . 0 0 "[ . 1 . 2]" 2
24 1 35 PHE QD 1 37 THR HA 4.500 . 5.500 3.601 2.977 3.892 . 0 0 "[ . 1 . 2]" 2
25 1 76 VAL MG2 1 79 ARG HB2 5.500 . 6.500 3.556 3.259 4.020 . 0 0 "[ . 1 . 2]" 2
26 1 29 LEU QD 1 120 VAL MG2 6.000 . 7.000 3.159 2.113 4.159 . 0 0 "[ . 1 . 2]" 2
27 1 9 ILE MD 1 31 PHE QE 6.000 . 7.000 4.010 3.088 6.165 . 0 0 "[ . 1 . 2]" 2
28 1 55 VAL MG1 1 58 TYR HB3 5.500 . 6.500 3.354 2.824 3.777 . 0 0 "[ . 1 . 2]" 2
29 1 88 PRO HB3 1 106 ALA MB 5.500 . 6.500 3.468 2.849 4.754 . 0 0 "[ . 1 . 2]" 2
30 1 55 VAL HA 1 56 ALA H 3.000 . 3.500 2.697 2.679 2.722 . 0 0 "[ . 1 . 2]" 2
31 1 28 LYS HB3 1 29 LEU H 4.000 . 5.000 2.392 1.764 3.480 0.036 3 0 "[ . 1 . 2]" 2
32 1 23 ALA MB 1 30 LEU QD 5.000 . 6.000 2.071 1.694 2.764 0.106 5 0 "[ . 1 . 2]" 2
33 1 92 PHE QD 1 116 VAL MG1 6.000 . 7.000 4.273 2.977 5.903 . 0 0 "[ . 1 . 2]" 2
34 1 17 PRO HD3 1 18 GLU QG 3.000 . 3.500 2.671 2.287 2.953 . 0 0 "[ . 1 . 2]" 2
35 1 14 LEU QD 1 18 GLU H 5.500 . 6.500 4.552 4.058 4.998 . 0 0 "[ . 1 . 2]" 2
36 1 55 VAL MG1 1 58 TYR HB2 5.500 . 6.500 4.015 3.060 4.763 . 0 0 "[ . 1 . 2]" 2
37 1 101 TYR HB3 1 116 VAL MG2 5.500 . 6.500 4.648 2.552 6.092 . 0 0 "[ . 1 . 2]" 2
38 1 13 GLU HB3 1 68 MET HA 4.500 . 5.500 3.767 2.966 4.348 . 0 0 "[ . 1 . 2]" 2
39 1 121 GLU H 1 121 GLU HB2 3.000 . 3.500 2.639 1.792 3.185 0.008 20 0 "[ . 1 . 2]" 2
40 1 89 THR MG 1 90 LEU H 4.500 . 5.500 2.739 2.326 3.123 . 0 0 "[ . 1 . 2]" 2
41 1 81 LYS HG3 1 82 TYR QE 5.000 . 6.000 2.568 1.779 3.881 0.021 5 0 "[ . 1 . 2]" 2
42 1 23 ALA MB 1 30 LEU HB3 4.500 . 5.500 2.524 1.748 4.526 0.052 15 0 "[ . 1 . 2]" 2
43 1 45 LEU HB2 1 49 VAL MG2 4.500 . 5.500 3.506 1.915 4.787 . 0 0 "[ . 1 . 2]" 2
44 1 49 VAL MG2 1 109 ALA MB 4.500 . 5.500 2.122 1.762 2.755 0.038 2 0 "[ . 1 . 2]" 2
45 1 101 TYR HB2 1 116 VAL MG2 5.500 . 6.500 4.912 2.628 6.543 0.043 17 0 "[ . 1 . 2]" 2
46 1 14 LEU HA 1 66 LEU QD 5.500 . 6.500 3.435 3.038 3.763 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 64
_Distance_constraint_stats_list.Viol_count 259
_Distance_constraint_stats_list.Viol_total 163.809
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0178
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0316
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 12 ARG 0.422 0.109 17 0 "[ . 1 . 2]"
1 16 PHE 0.167 0.079 4 0 "[ . 1 . 2]"
1 17 PRO 0.017 0.009 11 0 "[ . 1 . 2]"
1 18 GLU 0.089 0.042 13 0 "[ . 1 . 2]"
1 19 ALA 0.085 0.042 19 0 "[ . 1 . 2]"
1 20 LEU 0.240 0.079 4 0 "[ . 1 . 2]"
1 21 LYS 0.516 0.121 17 0 "[ . 1 . 2]"
1 22 ARG 0.445 0.079 15 0 "[ . 1 . 2]"
1 23 ALA 0.383 0.047 3 0 "[ . 1 . 2]"
1 24 GLU 0.073 0.037 14 0 "[ . 1 . 2]"
1 25 VAL 0.500 0.121 17 0 "[ . 1 . 2]"
1 26 GLU 0.356 0.079 15 0 "[ . 1 . 2]"
1 27 ASP 0.298 0.047 3 0 "[ . 1 . 2]"
1 29 LEU 0.300 0.081 2 0 "[ . 1 . 2]"
1 30 LEU 0.248 0.077 18 0 "[ . 1 . 2]"
1 31 PHE 0.817 0.087 2 0 "[ . 1 . 2]"
1 32 VAL 0.084 0.026 20 0 "[ . 1 . 2]"
1 33 ASP 0.984 0.061 14 0 "[ . 1 . 2]"
1 36 THR 1.612 0.139 8 0 "[ . 1 . 2]"
1 54 LEU 0.094 0.029 7 0 "[ . 1 . 2]"
1 55 VAL 0.030 0.030 1 0 "[ . 1 . 2]"
1 56 ALA 0.073 0.043 18 0 "[ . 1 . 2]"
1 57 ASP 0.042 0.019 4 0 "[ . 1 . 2]"
1 58 TYR 0.461 0.075 2 0 "[ . 1 . 2]"
1 59 PHE 0.030 0.030 1 0 "[ . 1 . 2]"
1 60 ASN 0.073 0.043 18 0 "[ . 1 . 2]"
1 61 ARG 0.042 0.019 4 0 "[ . 1 . 2]"
1 62 HIS 0.367 0.075 2 0 "[ . 1 . 2]"
1 64 VAL 0.670 0.087 2 0 "[ . 1 . 2]"
1 66 LEU 1.054 0.063 8 0 "[ . 1 . 2]"
1 67 LYS 0.422 0.109 17 0 "[ . 1 . 2]"
1 68 MET 0.377 0.061 14 0 "[ . 1 . 2]"
1 75 GLY 0.064 0.059 19 0 "[ . 1 . 2]"
1 76 VAL 0.502 0.100 3 0 "[ . 1 . 2]"
1 77 GLU 0.391 0.114 5 0 "[ . 1 . 2]"
1 78 LEU 0.058 0.023 17 0 "[ . 1 . 2]"
1 79 ARG 0.064 0.059 19 0 "[ . 1 . 2]"
1 80 LYS 0.502 0.100 3 0 "[ . 1 . 2]"
1 81 LYS 0.391 0.114 5 0 "[ . 1 . 2]"
1 82 TYR 0.058 0.023 17 0 "[ . 1 . 2]"
1 87 TYR 1.612 0.139 8 0 "[ . 1 . 2]"
1 91 LEU 0.084 0.026 20 0 "[ . 1 . 2]"
1 93 ILE 0.248 0.077 18 0 "[ . 1 . 2]"
1 111 GLU 0.189 0.058 3 0 "[ . 1 . 2]"
1 112 LEU 0.028 0.017 6 0 "[ . 1 . 2]"
1 113 LEU 0.166 0.072 10 0 "[ . 1 . 2]"
1 114 LYS 0.137 0.048 16 0 "[ . 1 . 2]"
1 115 LYS 0.189 0.058 3 0 "[ . 1 . 2]"
1 116 VAL 0.028 0.017 6 0 "[ . 1 . 2]"
1 117 LYS 0.166 0.072 10 0 "[ . 1 . 2]"
1 118 LEU 0.137 0.048 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 16 PHE O 1 20 LEU N 2.800 2.800 3.300 3.007 2.780 3.325 0.025 4 0 "[ . 1 . 2]" 3
2 1 16 PHE O 1 20 LEU H 1.800 . 2.300 2.063 1.827 2.379 0.079 4 0 "[ . 1 . 2]" 3
3 1 17 PRO O 1 21 LYS N 2.800 2.800 3.300 3.004 2.795 3.271 0.005 8 0 "[ . 1 . 2]" 3
4 1 17 PRO O 1 21 LYS H 1.800 . 2.300 2.052 1.855 2.309 0.009 11 0 "[ . 1 . 2]" 3
5 1 18 GLU O 1 22 ARG N 2.800 2.800 3.300 2.893 2.758 3.199 0.042 13 0 "[ . 1 . 2]" 3
6 1 18 GLU O 1 22 ARG H 1.800 . 2.300 1.951 1.815 2.234 . 0 0 "[ . 1 . 2]" 3
7 1 19 ALA O 1 23 ALA N 2.800 2.800 3.300 2.894 2.758 3.129 0.042 19 0 "[ . 1 . 2]" 3
8 1 19 ALA O 1 23 ALA H 1.800 . 2.300 1.975 1.810 2.224 . 0 0 "[ . 1 . 2]" 3
9 1 20 LEU O 1 24 GLU N 2.800 2.800 3.300 3.017 2.763 3.221 0.037 14 0 "[ . 1 . 2]" 3
10 1 20 LEU O 1 24 GLU H 1.800 . 2.300 2.119 1.797 2.331 0.031 15 0 "[ . 1 . 2]" 3
11 1 21 LYS O 1 25 VAL N 2.800 2.800 3.300 3.085 2.758 3.323 0.042 13 0 "[ . 1 . 2]" 3
12 1 21 LYS O 1 25 VAL H 1.800 . 2.300 2.176 1.821 2.421 0.121 17 0 "[ . 1 . 2]" 3
13 1 22 ARG O 1 26 GLU N 2.800 2.800 3.300 2.882 2.721 3.221 0.079 15 0 "[ . 1 . 2]" 3
14 1 22 ARG O 1 26 GLU H 1.800 . 2.300 1.948 1.777 2.318 0.023 17 0 "[ . 1 . 2]" 3
15 1 23 ALA O 1 27 ASP N 2.800 2.800 3.300 2.963 2.797 3.174 0.003 17 0 "[ . 1 . 2]" 3
16 1 23 ALA O 1 27 ASP H 1.800 . 2.300 2.272 2.055 2.347 0.047 3 0 "[ . 1 . 2]" 3
17 1 54 LEU O 1 58 TYR N 2.800 2.800 3.300 2.972 2.780 3.269 0.020 13 0 "[ . 1 . 2]" 3
18 1 54 LEU O 1 58 TYR H 1.800 . 2.300 2.050 1.851 2.329 0.029 7 0 "[ . 1 . 2]" 3
19 1 55 VAL O 1 59 PHE N 2.800 2.800 3.300 3.050 2.823 3.267 . 0 0 "[ . 1 . 2]" 3
20 1 55 VAL O 1 59 PHE H 1.800 . 2.300 2.086 1.892 2.330 0.030 1 0 "[ . 1 . 2]" 3
21 1 56 ALA O 1 60 ASN N 2.800 2.800 3.300 2.914 2.788 3.171 0.012 19 0 "[ . 1 . 2]" 3
22 1 56 ALA O 1 60 ASN H 1.800 . 2.300 1.992 1.817 2.343 0.043 18 0 "[ . 1 . 2]" 3
23 1 57 ASP O 1 61 ARG N 2.800 2.800 3.300 2.951 2.796 3.208 0.004 9 0 "[ . 1 . 2]" 3
24 1 57 ASP O 1 61 ARG H 1.800 . 2.300 2.066 1.897 2.319 0.019 4 0 "[ . 1 . 2]" 3
25 1 58 TYR O 1 62 HIS N 2.800 2.800 3.300 3.097 2.805 3.285 . 0 0 "[ . 1 . 2]" 3
26 1 58 TYR O 1 62 HIS H 1.800 . 2.300 2.197 1.888 2.375 0.075 2 0 "[ . 1 . 2]" 3
27 1 75 GLY O 1 79 ARG N 2.800 2.800 3.300 2.889 2.741 3.089 0.059 19 0 "[ . 1 . 2]" 3
28 1 75 GLY O 1 79 ARG H 1.800 . 2.300 1.976 1.833 2.149 . 0 0 "[ . 1 . 2]" 3
29 1 76 VAL O 1 80 LYS N 2.800 2.800 3.300 3.204 2.952 3.327 0.027 19 0 "[ . 1 . 2]" 3
30 1 76 VAL O 1 80 LYS H 1.800 . 2.300 2.288 2.032 2.400 0.100 3 0 "[ . 1 . 2]" 3
31 1 77 GLU O 1 81 LYS N 2.800 2.800 3.300 2.837 2.686 3.112 0.114 5 0 "[ . 1 . 2]" 3
32 1 77 GLU O 1 81 LYS H 1.800 . 2.300 2.021 1.803 2.317 0.017 8 0 "[ . 1 . 2]" 3
33 1 78 LEU O 1 82 TYR N 2.800 2.800 3.300 2.927 2.777 3.103 0.023 17 0 "[ . 1 . 2]" 3
34 1 78 LEU O 1 82 TYR H 1.800 . 2.300 1.990 1.796 2.222 0.004 4 0 "[ . 1 . 2]" 3
35 1 111 GLU O 1 115 LYS N 2.800 2.800 3.300 2.925 2.742 3.259 0.058 3 0 "[ . 1 . 2]" 3
36 1 111 GLU O 1 115 LYS H 1.800 . 2.300 2.014 1.797 2.312 0.012 18 0 "[ . 1 . 2]" 3
37 1 112 LEU O 1 116 VAL N 2.800 2.800 3.300 2.967 2.790 3.287 0.010 7 0 "[ . 1 . 2]" 3
38 1 112 LEU O 1 116 VAL H 1.800 . 2.300 2.027 1.848 2.317 0.017 6 0 "[ . 1 . 2]" 3
39 1 113 LEU O 1 117 LYS N 2.800 2.800 3.300 3.063 2.776 3.286 0.024 14 0 "[ . 1 . 2]" 3
40 1 113 LEU O 1 117 LYS H 1.800 . 2.300 2.127 1.846 2.372 0.072 10 0 "[ . 1 . 2]" 3
41 1 114 LYS O 1 118 LEU N 2.800 2.800 3.300 2.928 2.752 3.239 0.048 16 0 "[ . 1 . 2]" 3
42 1 114 LYS O 1 118 LEU H 1.800 . 2.300 1.986 1.805 2.316 0.016 12 0 "[ . 1 . 2]" 3
43 1 12 ARG O 1 67 LYS N 2.800 2.800 3.300 3.073 2.794 3.354 0.054 17 0 "[ . 1 . 2]" 3
44 1 12 ARG O 1 67 LYS H 1.800 . 2.300 2.125 1.817 2.409 0.109 17 0 "[ . 1 . 2]" 3
45 1 30 LEU N 1 93 ILE O 2.800 2.800 3.300 2.903 2.723 3.215 0.077 18 0 "[ . 1 . 2]" 3
46 1 30 LEU H 1 93 ILE O 1.800 . 2.300 1.974 1.793 2.345 0.045 7 0 "[ . 1 . 2]" 3
47 1 30 LEU O 1 93 ILE N 2.800 2.800 3.300 3.022 2.822 3.263 . 0 0 "[ . 1 . 2]" 3
48 1 30 LEU O 1 93 ILE H 1.800 . 2.300 2.058 1.836 2.285 . 0 0 "[ . 1 . 2]" 3
49 1 32 VAL N 1 91 LEU O 2.800 2.800 3.300 2.874 2.787 3.221 0.013 19 0 "[ . 1 . 2]" 3
50 1 32 VAL H 1 91 LEU O 1.800 . 2.300 1.920 1.805 2.326 0.026 20 0 "[ . 1 . 2]" 3
51 1 32 VAL O 1 91 LEU N 2.800 2.800 3.300 2.921 2.786 3.126 0.014 10 0 "[ . 1 . 2]" 3
52 1 32 VAL O 1 91 LEU H 1.800 . 2.300 1.971 1.820 2.165 . 0 0 "[ . 1 . 2]" 3
53 1 36 THR N 1 87 TYR O 2.800 2.800 3.300 3.108 2.952 3.254 . 0 0 "[ . 1 . 2]" 3
54 1 36 THR H 1 87 TYR O 1.800 . 2.300 2.380 2.293 2.439 0.139 8 0 "[ . 1 . 2]" 3
55 1 33 ASP O 1 68 MET N 2.800 2.800 3.300 3.059 2.739 3.322 0.061 14 0 "[ . 1 . 2]" 3
56 1 33 ASP O 1 68 MET H 1.800 . 2.300 2.106 1.793 2.359 0.059 4 0 "[ . 1 . 2]" 3
57 1 33 ASP N 1 66 LEU O 2.800 2.800 3.300 2.797 2.740 2.995 0.060 19 0 "[ . 1 . 2]" 3
58 1 33 ASP H 1 66 LEU O 1.800 . 2.300 1.832 1.764 2.047 0.036 19 0 "[ . 1 . 2]" 3
59 1 31 PHE O 1 66 LEU N 2.800 2.800 3.300 2.879 2.737 3.310 0.063 12 0 "[ . 1 . 2]" 3
60 1 31 PHE O 1 66 LEU H 1.800 . 2.300 1.935 1.766 2.363 0.063 8 0 "[ . 1 . 2]" 3
61 1 31 PHE N 1 64 VAL O 2.800 2.800 3.300 2.898 2.762 3.171 0.038 10 0 "[ . 1 . 2]" 3
62 1 31 PHE H 1 64 VAL O 1.800 . 2.300 1.998 1.799 2.387 0.087 2 0 "[ . 1 . 2]" 3
63 1 29 LEU O 1 64 VAL N 2.800 2.800 3.300 2.986 2.752 3.330 0.048 9 0 "[ . 1 . 2]" 3
64 1 29 LEU O 1 64 VAL H 1.800 . 2.300 2.043 1.791 2.381 0.081 2 0 "[ . 1 . 2]" 3
stop_
save_
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