NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381056 |
1itl   |
cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1itl
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 1554
_Distance_constraint_stats_list.Viol_count 88
_Distance_constraint_stats_list.Viol_total 14.324
_Distance_constraint_stats_list.Viol_max 0.813
_Distance_constraint_stats_list.Viol_rms 0.0522
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.1628
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 HIS 0.502 0.502 1 1 [+]
1 3 LYS 0.502 0.502 1 1 [+]
1 4 CYS 0.399 0.399 1 0 "[ ]"
1 5 ASP 0.903 0.399 1 0 "[ ]"
1 6 ILE 0.370 0.179 1 0 "[ ]"
1 7 THR 0.424 0.204 1 0 "[ ]"
1 8 LEU 1.051 0.813 1 1 [+]
1 9 GLN 1.378 0.813 1 1 [+]
1 10 GLU 0.136 0.136 1 0 "[ ]"
1 11 ILE 0.000 0.000 . 0 "[ ]"
1 12 ILE 0.389 0.207 1 0 "[ ]"
1 13 LYS 0.207 0.207 1 0 "[ ]"
1 14 THR 0.000 0.000 . 0 "[ ]"
1 15 LEU 0.244 0.188 1 0 "[ ]"
1 16 ASN 0.242 0.188 1 0 "[ ]"
1 17 SER 0.532 0.366 1 0 "[ ]"
1 18 LEU 0.618 0.366 1 0 "[ ]"
1 19 THR 0.212 0.158 1 0 "[ ]"
1 20 GLU 0.222 0.158 1 0 "[ ]"
1 21 GLN 0.035 0.035 1 0 "[ ]"
1 22 LYS 0.000 0.000 . 0 "[ ]"
1 23 THR 0.000 0.000 . 0 "[ ]"
1 24 LEU 0.000 0.000 . 0 "[ ]"
1 25 CYS 0.000 0.000 . 0 "[ ]"
1 26 THR 0.418 0.302 1 0 "[ ]"
1 27 GLU 0.038 0.038 1 0 "[ ]"
1 28 LEU 1.133 0.670 1 1 [+]
1 29 THR 0.805 0.266 1 0 "[ ]"
1 30 VAL 0.937 0.670 1 1 [+]
1 31 THR 0.076 0.076 1 0 "[ ]"
1 32 ASP 0.312 0.284 1 0 "[ ]"
1 33 ILE 0.555 0.358 1 0 "[ ]"
1 34 PHE 0.016 0.016 1 0 "[ ]"
1 35 ALA 0.301 0.284 1 0 "[ ]"
1 36 ALA 0.017 0.017 1 0 "[ ]"
1 37 SER 0.031 0.031 1 0 "[ ]"
1 38 LYS 0.753 0.365 1 0 "[ ]"
1 39 ASN 0.527 0.365 1 0 "[ ]"
1 40 THR 0.479 0.171 1 0 "[ ]"
1 41 THR 0.571 0.185 1 0 "[ ]"
1 42 GLU 0.315 0.246 1 0 "[ ]"
1 43 LYS 0.153 0.081 1 0 "[ ]"
1 44 GLU 0.266 0.185 1 0 "[ ]"
1 45 THR 0.633 0.467 1 0 "[ ]"
1 46 PHE 0.831 0.467 1 0 "[ ]"
1 47 CYS 0.000 0.000 . 0 "[ ]"
1 48 ARG 0.000 0.000 . 0 "[ ]"
1 49 ALA 0.079 0.079 1 0 "[ ]"
1 50 ALA 0.133 0.079 1 0 "[ ]"
1 51 THR 0.119 0.064 1 0 "[ ]"
1 52 VAL 0.130 0.066 1 0 "[ ]"
1 53 LEU 0.066 0.066 1 0 "[ ]"
1 55 GLN 0.001 0.001 1 0 "[ ]"
1 56 PHE 0.303 0.277 1 0 "[ ]"
1 57 TYR 0.502 0.277 1 0 "[ ]"
1 58 SER 0.000 0.000 . 0 "[ ]"
1 59 HIS 0.000 0.000 . 0 "[ ]"
1 60 HIS 0.407 0.407 1 0 "[ ]"
1 61 GLU 0.381 0.381 1 0 "[ ]"
1 62 LYS 0.381 0.381 1 0 "[ ]"
1 63 ASP 0.208 0.208 1 0 "[ ]"
1 64 THR 0.208 0.208 1 0 "[ ]"
1 65 ARG 0.000 0.000 . 0 "[ ]"
1 66 CYS 0.000 0.000 . 0 "[ ]"
1 67 LEU 0.000 0.000 . 0 "[ ]"
1 68 GLY 0.521 0.370 1 0 "[ ]"
1 69 ALA 0.524 0.370 1 0 "[ ]"
1 70 THR 0.128 0.128 1 0 "[ ]"
1 71 ALA 0.000 0.000 . 0 "[ ]"
1 72 GLN 0.000 0.000 . 0 "[ ]"
1 73 GLN 0.425 0.294 1 0 "[ ]"
1 74 PHE 0.000 0.000 . 0 "[ ]"
1 75 HIS 0.092 0.092 1 0 "[ ]"
1 76 ARG 0.000 0.000 . 0 "[ ]"
1 77 HIS 0.000 0.000 . 0 "[ ]"
1 78 LYS 0.000 0.000 . 0 "[ ]"
1 79 GLN 0.011 0.011 1 0 "[ ]"
1 80 LEU 0.383 0.322 1 0 "[ ]"
1 81 ILE 0.363 0.262 1 0 "[ ]"
1 82 ARG 0.082 0.050 1 0 "[ ]"
1 83 PHE 0.467 0.435 1 0 "[ ]"
1 84 LEU 0.225 0.225 1 0 "[ ]"
1 85 LYS 0.000 0.000 . 0 "[ ]"
1 86 ARG 0.000 0.000 1 0 "[ ]"
1 87 LEU 0.065 0.065 1 0 "[ ]"
1 88 ASP 0.000 0.000 1 0 "[ ]"
1 89 ARG 0.007 0.007 1 0 "[ ]"
1 90 ASN 0.007 0.007 1 0 "[ ]"
1 91 LEU 0.000 0.000 . 0 "[ ]"
1 92 TRP 0.000 0.000 . 0 "[ ]"
1 93 GLY 0.000 0.000 . 0 "[ ]"
1 94 LEU 0.000 0.000 . 0 "[ ]"
1 95 ALA 0.000 0.000 . 0 "[ ]"
1 96 GLY 0.000 0.000 . 0 "[ ]"
1 97 LEU 0.000 0.000 . 0 "[ ]"
1 98 ASN 0.000 0.000 . 0 "[ ]"
1 99 SER 0.000 0.000 . 0 "[ ]"
1 100 CYS 0.000 0.000 . 0 "[ ]"
1 101 PRO 0.000 0.000 . 0 "[ ]"
1 102 VAL 0.000 0.000 . 0 "[ ]"
1 103 LYS 0.000 0.000 . 0 "[ ]"
1 104 GLU 0.000 0.000 . 0 "[ ]"
1 105 ALA 0.000 0.000 . 0 "[ ]"
1 106 ASN 0.180 0.180 1 0 "[ ]"
1 107 GLN 0.000 0.000 . 0 "[ ]"
1 108 SER 0.114 0.114 1 0 "[ ]"
1 109 THR 0.061 0.038 1 0 "[ ]"
1 110 LEU 0.705 0.302 1 0 "[ ]"
1 111 GLU 0.123 0.123 1 0 "[ ]"
1 112 ASN 0.000 0.000 . 0 "[ ]"
1 113 PHE 0.000 0.000 . 0 "[ ]"
1 114 LEU 0.123 0.123 1 0 "[ ]"
1 115 GLU 0.085 0.085 1 0 "[ ]"
1 116 ARG 0.085 0.085 1 0 "[ ]"
1 117 LEU 0.000 0.000 . 0 "[ ]"
1 118 LYS 0.000 0.000 1 0 "[ ]"
1 119 THR 0.058 0.042 1 0 "[ ]"
1 120 ILE 0.016 0.016 1 0 "[ ]"
1 121 MET 0.000 0.000 . 0 "[ ]"
1 122 ARG 0.000 0.000 . 0 "[ ]"
1 123 GLU 0.000 0.000 . 0 "[ ]"
1 124 LYS 0.000 0.000 . 0 "[ ]"
1 125 TYR 0.000 0.000 . 0 "[ ]"
1 126 SER 0.000 0.000 . 0 "[ ]"
1 127 LYS 0.000 0.000 . 0 "[ ]"
1 128 CYS 0.000 0.000 . 0 "[ ]"
1 129 SER 0.000 0.000 . 0 "[ ]"
1 130 SER 0.000 0.000 . 0 "[ ]"
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 4 CYS H 1 4 CYS HB3 0.000 . 4.000 3.625 3.625 3.625 . 0 0 "[ ]" 1
2 1 4 CYS H 1 4 CYS HB2 0.000 . 4.000 2.485 2.485 2.485 . 0 0 "[ ]" 1
3 1 5 ASP H 1 5 ASP HA 0.000 . 3.000 2.960 2.960 2.960 . 0 0 "[ ]" 1
4 1 5 ASP H 1 5 ASP HB3 0.000 . 3.000 2.746 2.746 2.746 . 0 0 "[ ]" 1
5 1 5 ASP H 1 5 ASP HB2 0.000 . 3.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
6 1 6 ILE H 1 6 ILE HA 0.000 . 3.000 2.653 2.653 2.653 . 0 0 "[ ]" 1
7 1 6 ILE H 1 6 ILE HB 0.000 . 2.500 2.574 2.574 2.574 0.074 1 0 "[ ]" 1
8 1 6 ILE H 1 6 ILE HG13 0.000 . 4.000 3.446 3.446 3.446 . 0 0 "[ ]" 1
9 1 6 ILE H 1 6 ILE HG12 0.000 . 4.000 1.908 1.908 1.908 . 0 0 "[ ]" 1
10 1 6 ILE H 1 6 ILE MG 0.000 . 4.500 3.803 3.803 3.803 . 0 0 "[ ]" 1
11 1 7 THR H 1 7 THR HA 0.000 . 3.000 2.783 2.783 2.783 . 0 0 "[ ]" 1
12 1 7 THR H 1 7 THR HB 0.000 . 3.000 2.801 2.801 2.801 . 0 0 "[ ]" 1
13 1 7 THR H 1 7 THR MG 0.000 . 4.500 3.722 3.722 3.722 . 0 0 "[ ]" 1
14 1 9 GLN H 1 9 GLN HA 0.000 . 3.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
15 1 9 GLN H 1 9 GLN HG3 0.000 . 4.000 4.143 4.143 4.143 0.143 1 0 "[ ]" 1
16 1 9 GLN H 1 9 GLN QB 0.000 . 3.500 2.325 2.325 2.325 . 0 0 "[ ]" 1
17 1 10 GLU H 1 10 GLU HA 0.000 . 3.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
18 1 10 GLU H 1 10 GLU QG 0.000 . 4.000 3.930 3.930 3.930 . 0 0 "[ ]" 1
19 1 11 ILE H 1 11 ILE HA 0.000 . 3.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
20 1 11 ILE H 1 11 ILE MG 0.000 . 4.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
21 1 11 ILE H 1 11 ILE MD 0.000 . 5.500 3.599 3.599 3.599 . 0 0 "[ ]" 1
22 1 12 ILE H 1 12 ILE HA 0.000 . 3.000 2.699 2.699 2.699 . 0 0 "[ ]" 1
23 1 12 ILE H 1 12 ILE HB 0.000 . 2.500 2.326 2.326 2.326 . 0 0 "[ ]" 1
24 1 12 ILE H 1 12 ILE HG13 0.000 . 3.000 1.858 1.858 1.858 . 0 0 "[ ]" 1
25 1 12 ILE H 1 12 ILE HG12 0.000 . 3.000 3.152 3.152 3.152 0.152 1 0 "[ ]" 1
26 1 12 ILE H 1 12 ILE MG 0.000 . 4.500 3.692 3.692 3.692 . 0 0 "[ ]" 1
27 1 12 ILE H 1 12 ILE MD 0.000 . 5.500 3.300 3.300 3.300 . 0 0 "[ ]" 1
28 1 13 LYS H 1 13 LYS HA 0.000 . 3.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
29 1 14 THR H 1 14 THR HA 0.000 . 3.000 2.821 2.821 2.821 . 0 0 "[ ]" 1
30 1 14 THR H 1 14 THR HB 0.000 . 3.000 2.670 2.670 2.670 . 0 0 "[ ]" 1
31 1 15 LEU H 1 15 LEU HA 0.000 . 3.000 2.854 2.854 2.854 . 0 0 "[ ]" 1
32 1 16 ASN H 1 16 ASN HD21 0.000 . 5.000 2.025 2.025 2.025 . 0 0 "[ ]" 1
33 1 16 ASN H 1 16 ASN HD22 0.000 . 5.000 3.291 3.291 3.291 . 0 0 "[ ]" 1
34 1 16 ASN H 1 16 ASN QB 0.000 . 3.000 2.066 2.066 2.066 . 0 0 "[ ]" 1
35 1 16 ASN H 1 16 ASN HA 0.000 . 3.000 2.639 2.639 2.639 . 0 0 "[ ]" 1
36 1 17 SER H 1 17 SER HA 0.000 . 3.000 2.796 2.796 2.796 . 0 0 "[ ]" 1
37 1 17 SER H 1 17 SER HB3 0.000 . 3.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
38 1 17 SER H 1 17 SER HB2 0.000 . 3.000 2.272 2.272 2.272 . 0 0 "[ ]" 1
39 1 18 LEU H 1 18 LEU HA 0.000 . 3.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
40 1 18 LEU H 1 18 LEU QB 0.000 . 3.000 2.690 2.690 2.690 . 0 0 "[ ]" 1
41 1 18 LEU H 1 18 LEU HG 0.000 . 3.000 2.165 2.165 2.165 . 0 0 "[ ]" 1
42 1 19 THR H 1 19 THR HA 0.000 . 3.000 2.922 2.922 2.922 . 0 0 "[ ]" 1
43 1 19 THR H 1 19 THR MG 0.000 . 4.500 2.352 2.352 2.352 . 0 0 "[ ]" 1
44 1 20 GLU H 1 20 GLU HA 0.000 . 3.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
45 1 20 GLU H 1 20 GLU QB 0.000 . 3.500 2.135 2.135 2.135 . 0 0 "[ ]" 1
46 1 20 GLU H 1 20 GLU QG 0.000 . 5.000 4.004 4.004 4.004 . 0 0 "[ ]" 1
47 1 21 GLN H 1 21 GLN HA 0.000 . 3.000 3.000 3.000 3.000 . 0 0 "[ ]" 1
48 1 21 GLN H 1 21 GLN QG 0.000 . 5.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
49 1 22 LYS H 1 22 LYS HA 0.000 . 3.000 2.961 2.961 2.961 . 0 0 "[ ]" 1
50 1 23 THR H 1 23 THR MG 0.000 . 4.500 2.668 2.668 2.668 . 0 0 "[ ]" 1
51 1 24 LEU H 1 24 LEU HA 0.000 . 3.000 2.926 2.926 2.926 . 0 0 "[ ]" 1
52 1 24 LEU H 1 24 LEU HG 0.000 . 3.000 2.702 2.702 2.702 . 0 0 "[ ]" 1
53 1 24 LEU H 1 24 LEU QB 0.000 . 3.000 2.599 2.599 2.599 . 0 0 "[ ]" 1
54 1 24 LEU H 1 24 LEU MD1 0.000 . 5.000 1.788 1.788 1.788 . 0 0 "[ ]" 1
55 1 24 LEU H 1 24 LEU MD2 0.000 . 5.000 3.945 3.945 3.945 . 0 0 "[ ]" 1
56 1 25 CYS H 1 25 CYS HA 0.000 . 3.000 2.950 2.950 2.950 . 0 0 "[ ]" 1
57 1 25 CYS H 1 25 CYS HB3 0.000 . 4.000 3.630 3.630 3.630 . 0 0 "[ ]" 1
58 1 25 CYS H 1 25 CYS HB2 0.000 . 4.000 2.629 2.629 2.629 . 0 0 "[ ]" 1
59 1 26 THR H 1 26 THR HB 0.000 . 4.000 3.421 3.421 3.421 . 0 0 "[ ]" 1
60 1 26 THR H 1 26 THR MG 0.000 . 4.500 3.460 3.460 3.460 . 0 0 "[ ]" 1
61 1 28 LEU H 1 28 LEU HA 0.000 . 3.000 2.984 2.984 2.984 . 0 0 "[ ]" 1
62 1 28 LEU H 1 28 LEU HB3 0.000 . 4.000 3.671 3.671 3.671 . 0 0 "[ ]" 1
63 1 28 LEU H 1 28 LEU HB2 0.000 . 4.000 2.505 2.505 2.505 . 0 0 "[ ]" 1
64 1 28 LEU H 1 28 LEU HG 0.000 . 3.000 2.495 2.495 2.495 . 0 0 "[ ]" 1
65 1 28 LEU H 1 28 LEU MD1 0.000 . 5.500 3.772 3.772 3.772 . 0 0 "[ ]" 1
66 1 28 LEU H 1 28 LEU MD2 0.000 . 5.500 3.526 3.526 3.526 . 0 0 "[ ]" 1
67 1 29 THR H 1 29 THR HA 0.000 . 3.000 2.589 2.589 2.589 . 0 0 "[ ]" 1
68 1 29 THR H 1 29 THR MG 0.000 . 4.500 1.848 1.848 1.848 . 0 0 "[ ]" 1
69 1 31 THR H 1 31 THR HA 0.000 . 3.000 2.894 2.894 2.894 . 0 0 "[ ]" 1
70 1 31 THR H 1 31 THR HB 0.000 . 2.500 2.374 2.374 2.374 . 0 0 "[ ]" 1
71 1 32 ASP H 1 32 ASP HB3 0.000 . 3.000 2.509 2.509 2.509 . 0 0 "[ ]" 1
72 1 32 ASP H 1 32 ASP HB2 0.000 . 3.000 2.624 2.624 2.624 . 0 0 "[ ]" 1
73 1 33 ILE H 1 33 ILE HA 0.000 . 3.000 2.776 2.776 2.776 . 0 0 "[ ]" 1
74 1 33 ILE H 1 33 ILE HB 0.000 . 4.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
75 1 33 ILE H 1 33 ILE HG13 0.000 . 3.000 2.093 2.093 2.093 . 0 0 "[ ]" 1
76 1 33 ILE H 1 33 ILE HG12 0.000 . 3.000 3.153 3.153 3.153 0.153 1 0 "[ ]" 1
77 1 33 ILE H 1 33 ILE MG 0.000 . 4.500 1.964 1.964 1.964 . 0 0 "[ ]" 1
78 1 33 ILE H 1 33 ILE MD 0.000 . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
79 1 34 PHE H 1 34 PHE HA 0.000 . 3.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
80 1 34 PHE H 1 34 PHE HB3 0.000 . 4.000 3.640 3.640 3.640 . 0 0 "[ ]" 1
81 1 34 PHE H 1 34 PHE HB2 0.000 . 4.000 2.598 2.598 2.598 . 0 0 "[ ]" 1
82 1 34 PHE H 1 34 PHE QD 0.000 . 5.000 2.933 2.933 2.933 . 0 0 "[ ]" 1
83 1 34 PHE H 1 34 PHE QE 0.000 . 7.000 4.303 4.303 4.303 . 0 0 "[ ]" 1
84 1 35 ALA H 1 35 ALA HA 0.000 . 3.000 2.935 2.935 2.935 . 0 0 "[ ]" 1
85 1 36 ALA H 1 36 ALA HA 0.000 . 3.000 2.958 2.958 2.958 . 0 0 "[ ]" 1
86 1 37 SER H 1 37 SER HB3 0.000 . 4.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
87 1 37 SER H 1 37 SER HB2 0.000 . 4.000 2.498 2.498 2.498 . 0 0 "[ ]" 1
88 1 40 THR H 1 40 THR HA 0.000 . 3.000 2.964 2.964 2.964 . 0 0 "[ ]" 1
89 1 40 THR H 1 40 THR HB 0.000 . 4.000 3.908 3.908 3.908 . 0 0 "[ ]" 1
90 1 40 THR H 1 40 THR MG 0.000 . 4.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
91 1 41 THR H 1 41 THR MG 0.000 . 4.000 2.580 2.580 2.580 . 0 0 "[ ]" 1
92 1 42 GLU H 1 42 GLU HA 0.000 . 2.500 2.746 2.746 2.746 0.246 1 0 "[ ]" 1
93 1 43 LYS H 1 43 LYS HA 0.000 . 3.000 2.669 2.669 2.669 . 0 0 "[ ]" 1
94 1 44 GLU H 1 44 GLU HA 0.000 . 3.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
95 1 44 GLU H 1 44 GLU QG 0.000 . 3.500 1.924 1.924 1.924 . 0 0 "[ ]" 1
96 1 45 THR H 1 45 THR HA 0.000 . 3.000 2.839 2.839 2.839 . 0 0 "[ ]" 1
97 1 45 THR H 1 45 THR HB 0.000 . 2.500 2.666 2.666 2.666 0.166 1 0 "[ ]" 1
98 1 46 PHE H 1 46 PHE HA 0.000 . 3.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
99 1 46 PHE H 1 46 PHE HB3 0.000 . 3.000 3.292 3.292 3.292 0.292 1 0 "[ ]" 1
100 1 46 PHE H 1 46 PHE HB2 0.000 . 3.000 1.969 1.969 1.969 . 0 0 "[ ]" 1
101 1 47 CYS H 1 47 CYS HA 0.000 . 3.000 2.874 2.874 2.874 . 0 0 "[ ]" 1
102 1 47 CYS H 1 47 CYS HB3 0.000 . 4.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
103 1 47 CYS H 1 47 CYS HB2 0.000 . 4.000 2.281 2.281 2.281 . 0 0 "[ ]" 1
104 1 50 ALA H 1 50 ALA HA 0.000 . 3.000 2.759 2.759 2.759 . 0 0 "[ ]" 1
105 1 51 THR H 1 51 THR HA 0.000 . 3.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
106 1 51 THR H 1 51 THR HB 0.000 . 3.000 2.576 2.576 2.576 . 0 0 "[ ]" 1
107 1 52 VAL H 1 52 VAL HA 0.000 . 3.000 2.761 2.761 2.761 . 0 0 "[ ]" 1
108 1 52 VAL H 1 52 VAL HB 0.000 . 3.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
109 1 52 VAL H 1 52 VAL MG1 0.000 . 4.500 3.794 3.794 3.794 . 0 0 "[ ]" 1
110 1 52 VAL H 1 52 VAL MG2 0.000 . 4.500 2.171 2.171 2.171 . 0 0 "[ ]" 1
111 1 53 LEU H 1 53 LEU HA 0.000 . 3.000 2.807 2.807 2.807 . 0 0 "[ ]" 1
112 1 55 GLN H 1 55 GLN HA 0.000 . 3.000 2.803 2.803 2.803 . 0 0 "[ ]" 1
113 1 55 GLN H 1 55 GLN QG 0.000 . 4.000 1.967 1.967 1.967 . 0 0 "[ ]" 1
114 1 56 PHE H 1 56 PHE HA 0.000 . 3.000 2.725 2.725 2.725 . 0 0 "[ ]" 1
115 1 56 PHE H 1 56 PHE HB3 0.000 . 3.000 3.026 3.026 3.026 0.026 1 0 "[ ]" 1
116 1 56 PHE H 1 56 PHE HB2 0.000 . 3.000 2.353 2.353 2.353 . 0 0 "[ ]" 1
117 1 57 TYR H 1 57 TYR HB3 0.000 . 4.000 2.586 2.586 2.586 . 0 0 "[ ]" 1
118 1 57 TYR H 1 57 TYR HB2 0.000 . 4.000 3.734 3.734 3.734 . 0 0 "[ ]" 1
119 1 58 SER H 1 58 SER HA 0.000 . 3.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
120 1 58 SER H 1 58 SER HB3 0.000 . 3.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
121 1 58 SER H 1 58 SER HB2 0.000 . 3.000 2.419 2.419 2.419 . 0 0 "[ ]" 1
122 1 59 HIS H 1 59 HIS HA 0.000 . 3.000 2.913 2.913 2.913 . 0 0 "[ ]" 1
123 1 59 HIS H 1 59 HIS HB3 0.000 . 3.000 2.557 2.557 2.557 . 0 0 "[ ]" 1
124 1 59 HIS H 1 59 HIS HB2 0.000 . 3.000 2.503 2.503 2.503 . 0 0 "[ ]" 1
125 1 60 HIS H 1 60 HIS HD2 0.000 . 6.000 3.826 3.826 3.826 . 0 0 "[ ]" 1
126 1 60 HIS HB3 1 60 HIS HD2 0.000 . 3.000 3.407 3.407 3.407 0.407 1 0 "[ ]" 1
127 1 60 HIS HB2 1 60 HIS HD2 0.000 . 3.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
128 1 61 GLU H 1 61 GLU HA 0.000 . 3.000 2.784 2.784 2.784 . 0 0 "[ ]" 1
129 1 61 GLU H 1 61 GLU QG 0.000 . 4.000 2.003 2.003 2.003 . 0 0 "[ ]" 1
130 1 63 ASP H 1 63 ASP HB3 0.000 . 3.000 2.220 2.220 2.220 . 0 0 "[ ]" 1
131 1 63 ASP H 1 63 ASP HB2 0.000 . 3.000 3.000 3.000 3.000 . 0 0 "[ ]" 1
132 1 64 THR H 1 64 THR HB 0.000 . 4.000 3.684 3.684 3.684 . 0 0 "[ ]" 1
133 1 64 THR H 1 64 THR MG 0.000 . 4.500 1.934 1.934 1.934 . 0 0 "[ ]" 1
134 1 65 ARG H 1 65 ARG HA 0.000 . 3.000 2.985 2.985 2.985 . 0 0 "[ ]" 1
135 1 67 LEU H 1 67 LEU QB 0.000 . 3.000 2.618 2.618 2.618 . 0 0 "[ ]" 1
136 1 67 LEU H 1 67 LEU HG 0.000 . 3.000 1.868 1.868 1.868 . 0 0 "[ ]" 1
137 1 72 GLN H 1 72 GLN HA 0.000 . 3.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
138 1 72 GLN H 1 72 GLN QG 0.000 . 5.000 3.948 3.948 3.948 . 0 0 "[ ]" 1
139 1 72 GLN H 1 72 GLN QE 0.000 . 6.000 5.298 5.298 5.298 . 0 0 "[ ]" 1
140 1 73 GLN H 1 73 GLN HA 0.000 . 3.000 2.791 2.791 2.791 . 0 0 "[ ]" 1
141 1 73 GLN H 1 73 GLN HG3 0.000 . 3.000 3.294 3.294 3.294 0.294 1 0 "[ ]" 1
142 1 73 GLN H 1 73 GLN HG2 0.000 . 3.000 1.779 1.779 1.779 . 0 0 "[ ]" 1
143 1 73 GLN H 1 73 GLN QE 0.000 . 6.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
144 1 74 PHE H 1 74 PHE HA 0.000 . 3.000 2.774 2.774 2.774 . 0 0 "[ ]" 1
145 1 74 PHE H 1 74 PHE HB3 0.000 . 3.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
146 1 74 PHE H 1 74 PHE HB2 0.000 . 3.000 2.555 2.555 2.555 . 0 0 "[ ]" 1
147 1 75 HIS H 1 75 HIS HA 0.000 . 3.000 2.798 2.798 2.798 . 0 0 "[ ]" 1
148 1 75 HIS H 1 75 HIS HB3 0.000 . 3.000 3.092 3.092 3.092 0.092 1 0 "[ ]" 1
149 1 75 HIS H 1 75 HIS HB2 0.000 . 3.000 2.062 2.062 2.062 . 0 0 "[ ]" 1
150 1 76 ARG H 1 76 ARG HA 0.000 . 3.000 2.865 2.865 2.865 . 0 0 "[ ]" 1
151 1 77 HIS H 1 77 HIS HB3 0.000 . 3.000 2.491 2.491 2.491 . 0 0 "[ ]" 1
152 1 77 HIS H 1 77 HIS HB2 0.000 . 3.000 2.665 2.665 2.665 . 0 0 "[ ]" 1
153 1 77 HIS H 1 77 HIS HD1 0.000 . 6.000 4.820 4.820 4.820 . 0 0 "[ ]" 1
154 1 78 LYS H 1 78 LYS HA 0.000 . 3.000 2.802 2.802 2.802 . 0 0 "[ ]" 1
155 1 79 GLN H 1 79 GLN HA 0.000 . 3.000 2.820 2.820 2.820 . 0 0 "[ ]" 1
156 1 80 LEU H 1 80 LEU HA 0.000 . 3.000 2.735 2.735 2.735 . 0 0 "[ ]" 1
157 1 80 LEU H 1 80 LEU HB3 0.000 . 3.000 3.322 3.322 3.322 0.322 1 0 "[ ]" 1
158 1 80 LEU H 1 80 LEU HB2 0.000 . 3.000 2.004 2.004 2.004 . 0 0 "[ ]" 1
159 1 80 LEU H 1 80 LEU MD1 0.000 . 4.000 2.403 2.403 2.403 . 0 0 "[ ]" 1
160 1 80 LEU H 1 80 LEU MD2 0.000 . 4.000 3.668 3.668 3.668 . 0 0 "[ ]" 1
161 1 81 ILE H 1 81 ILE HB 0.000 . 3.000 2.585 2.585 2.585 . 0 0 "[ ]" 1
162 1 81 ILE H 1 81 ILE HG13 0.000 . 3.000 3.262 3.262 3.262 0.262 1 0 "[ ]" 1
163 1 81 ILE H 1 81 ILE HG12 0.000 . 3.000 1.869 1.869 1.869 . 0 0 "[ ]" 1
164 1 81 ILE H 1 81 ILE MD 0.000 . 5.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
165 1 82 ARG H 1 82 ARG HA 0.000 . 3.000 2.812 2.812 2.812 . 0 0 "[ ]" 1
166 1 83 PHE H 1 83 PHE HA 0.000 . 3.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
167 1 83 PHE H 1 83 PHE HB3 0.000 . 3.000 3.435 3.435 3.435 0.435 1 0 "[ ]" 1
168 1 83 PHE H 1 83 PHE HB2 0.000 . 3.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
169 1 84 LEU H 1 84 LEU HG 0.000 . 3.000 2.265 2.265 2.265 . 0 0 "[ ]" 1
170 1 84 LEU H 1 84 LEU MD1 0.000 . 5.500 3.704 3.704 3.704 . 0 0 "[ ]" 1
171 1 84 LEU H 1 84 LEU MD2 0.000 . 5.500 3.321 3.321 3.321 . 0 0 "[ ]" 1
172 1 85 LYS H 1 85 LYS HA 0.000 . 3.000 2.846 2.846 2.846 . 0 0 "[ ]" 1
173 1 86 ARG H 1 86 ARG HA 0.000 . 3.000 2.741 2.741 2.741 . 0 0 "[ ]" 1
174 1 87 LEU H 1 87 LEU HA 0.000 . 3.000 2.855 2.855 2.855 . 0 0 "[ ]" 1
175 1 87 LEU H 1 87 LEU HG 0.000 . 3.000 3.065 3.065 3.065 0.065 1 0 "[ ]" 1
176 1 88 ASP H 1 88 ASP HA 0.000 . 3.000 2.728 2.728 2.728 . 0 0 "[ ]" 1
177 1 88 ASP H 1 88 ASP HB3 0.000 . 3.000 2.712 2.712 2.712 . 0 0 "[ ]" 1
178 1 88 ASP H 1 88 ASP HB2 0.000 . 3.000 2.230 2.230 2.230 . 0 0 "[ ]" 1
179 1 89 ARG H 1 89 ARG HA 0.000 . 3.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
180 1 90 ASN H 1 90 ASN HA 0.000 . 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
181 1 90 ASN H 1 90 ASN HD21 0.000 . 5.000 2.302 2.302 2.302 . 0 0 "[ ]" 1
182 1 90 ASN H 1 90 ASN HD22 0.000 . 5.000 3.619 3.619 3.619 . 0 0 "[ ]" 1
183 1 90 ASN H 1 90 ASN HB3 0.000 . 4.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
184 1 90 ASN H 1 90 ASN HB2 0.000 . 4.000 2.271 2.271 2.271 . 0 0 "[ ]" 1
185 1 92 TRP HA 1 92 TRP HE3 0.000 . 4.000 3.993 3.993 3.993 . 0 0 "[ ]" 1
186 1 92 TRP HB3 1 92 TRP HE3 0.000 . 4.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
187 1 92 TRP HB2 1 92 TRP HE3 0.000 . 4.000 3.958 3.958 3.958 . 0 0 "[ ]" 1
188 1 92 TRP HA 1 92 TRP HD1 0.000 . 4.000 3.309 3.309 3.309 . 0 0 "[ ]" 1
189 1 92 TRP HB3 1 92 TRP HD1 0.000 . 4.000 3.823 3.823 3.823 . 0 0 "[ ]" 1
190 1 92 TRP HB2 1 92 TRP HD1 0.000 . 4.000 2.657 2.657 2.657 . 0 0 "[ ]" 1
191 1 92 TRP H 1 92 TRP HE3 0.000 . 6.000 4.977 4.977 4.977 . 0 0 "[ ]" 1
192 1 94 LEU H 1 94 LEU HA 0.000 . 3.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
193 1 95 ALA H 1 95 ALA HA 0.000 . 3.000 2.793 2.793 2.793 . 0 0 "[ ]" 1
194 1 96 GLY H 1 96 GLY HA3 0.000 . 3.000 2.987 2.987 2.987 . 0 0 "[ ]" 1
195 1 96 GLY H 1 96 GLY HA2 0.000 . 3.000 2.425 2.425 2.425 . 0 0 "[ ]" 1
196 1 97 LEU H 1 97 LEU HG 0.000 . 4.000 1.871 1.871 1.871 . 0 0 "[ ]" 1
197 1 102 VAL H 1 102 VAL HA 0.000 . 3.000 2.999 2.999 2.999 . 0 0 "[ ]" 1
198 1 102 VAL H 1 102 VAL HB 0.000 . 4.000 3.041 3.041 3.041 . 0 0 "[ ]" 1
199 1 106 ASN H 1 106 ASN HA 0.000 . 2.500 2.354 2.354 2.354 . 0 0 "[ ]" 1
200 1 106 ASN H 1 106 ASN HB3 0.000 . 4.000 4.180 4.180 4.180 0.180 1 0 "[ ]" 1
201 1 106 ASN H 1 106 ASN HB2 0.000 . 4.000 3.889 3.889 3.889 . 0 0 "[ ]" 1
202 1 106 ASN H 1 106 ASN HD21 0.000 . 5.000 2.433 2.433 2.433 . 0 0 "[ ]" 1
203 1 106 ASN H 1 106 ASN HD22 0.000 . 5.000 4.002 4.002 4.002 . 0 0 "[ ]" 1
204 1 109 THR H 1 109 THR MG 0.000 . 4.000 2.604 2.604 2.604 . 0 0 "[ ]" 1
205 1 110 LEU H 1 110 LEU HB3 0.000 . 4.000 3.242 3.242 3.242 . 0 0 "[ ]" 1
206 1 110 LEU H 1 110 LEU HB2 0.000 . 4.000 2.522 2.522 2.522 . 0 0 "[ ]" 1
207 1 112 ASN H 1 112 ASN HA 0.000 . 3.000 2.825 2.825 2.825 . 0 0 "[ ]" 1
208 1 112 ASN H 1 112 ASN HD21 0.000 . 6.000 4.476 4.476 4.476 . 0 0 "[ ]" 1
209 1 112 ASN H 1 112 ASN HD22 0.000 . 6.000 5.653 5.653 5.653 . 0 0 "[ ]" 1
210 1 112 ASN H 1 112 ASN HB3 0.000 . 3.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
211 1 112 ASN H 1 112 ASN HB2 0.000 . 3.000 2.277 2.277 2.277 . 0 0 "[ ]" 1
212 1 113 PHE H 1 113 PHE HA 0.000 . 3.000 2.749 2.749 2.749 . 0 0 "[ ]" 1
213 1 113 PHE H 1 113 PHE HB3 0.000 . 3.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
214 1 113 PHE H 1 113 PHE HB2 0.000 . 3.000 2.451 2.451 2.451 . 0 0 "[ ]" 1
215 1 115 GLU H 1 115 GLU QG 0.000 . 4.000 2.275 2.275 2.275 . 0 0 "[ ]" 1
216 1 116 ARG H 1 116 ARG HA 0.000 . 3.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
217 1 116 ARG H 1 116 ARG HE 0.000 . 7.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
218 1 118 LYS H 1 118 LYS HA 0.000 . 3.000 2.785 2.785 2.785 . 0 0 "[ ]" 1
219 1 119 THR H 1 119 THR HA 0.000 . 3.000 2.744 2.744 2.744 . 0 0 "[ ]" 1
220 1 119 THR H 1 119 THR HB 0.000 . 2.500 2.542 2.542 2.542 0.042 1 0 "[ ]" 1
221 1 120 ILE H 1 120 ILE HB 0.000 . 4.000 2.315 2.315 2.315 . 0 0 "[ ]" 1
222 1 120 ILE H 1 120 ILE HG13 0.000 . 5.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
223 1 120 ILE H 1 120 ILE HG12 0.000 . 5.000 3.696 3.696 3.696 . 0 0 "[ ]" 1
224 1 121 MET H 1 121 MET HB3 0.000 . 4.000 3.617 3.617 3.617 . 0 0 "[ ]" 1
225 1 121 MET H 1 121 MET HB2 0.000 . 4.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
226 1 121 MET H 1 121 MET HG3 0.000 . 5.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
227 1 121 MET H 1 121 MET HG2 0.000 . 5.000 2.067 2.067 2.067 . 0 0 "[ ]" 1
228 1 123 GLU H 1 123 GLU HA 0.000 . 3.000 2.701 2.701 2.701 . 0 0 "[ ]" 1
229 1 124 LYS H 1 124 LYS HA 0.000 . 3.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
230 1 2 HIS HA 1 3 LYS H 0.000 . 2.500 3.002 3.002 3.002 0.502 1 1 [+] 1
231 1 2 HIS QB 1 3 LYS H 0.000 . 4.000 3.589 3.589 3.589 . 0 0 "[ ]" 1
232 1 3 LYS HA 1 4 CYS H 0.000 . 4.000 2.733 2.733 2.733 . 0 0 "[ ]" 1
233 1 3 LYS H 1 4 CYS H 0.000 . 4.000 2.663 2.663 2.663 . 0 0 "[ ]" 1
234 1 4 CYS HA 1 5 ASP H 0.000 . 3.000 3.399 3.399 3.399 0.399 1 0 "[ ]" 1
235 1 4 CYS H 1 5 ASP H 0.000 . 4.000 3.645 3.645 3.645 . 0 0 "[ ]" 1
236 1 4 CYS HB3 1 5 ASP H 0.000 . 5.000 2.255 2.255 2.255 . 0 0 "[ ]" 1
237 1 4 CYS HB2 1 5 ASP H 0.000 . 5.000 2.065 2.065 2.065 . 0 0 "[ ]" 1
238 1 5 ASP HA 1 6 ILE H 0.000 . 2.500 2.085 2.085 2.085 . 0 0 "[ ]" 1
239 1 5 ASP H 1 6 ILE H 0.000 . 4.000 4.179 4.179 4.179 0.179 1 0 "[ ]" 1
240 1 5 ASP HB3 1 6 ILE H 0.000 . 5.000 4.325 4.325 4.325 . 0 0 "[ ]" 1
241 1 5 ASP HB2 1 6 ILE H 0.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
242 1 6 ILE H 1 7 THR H 0.000 . 3.000 3.118 3.118 3.118 0.118 1 0 "[ ]" 1
243 1 6 ILE HG13 1 7 THR H 0.000 . 5.000 4.867 4.867 4.867 . 0 0 "[ ]" 1
244 1 6 ILE HG12 1 7 THR H 0.000 . 5.000 4.266 4.266 4.266 . 0 0 "[ ]" 1
245 1 6 ILE MG 1 7 THR H 0.000 . 4.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
246 1 6 ILE HB 1 7 THR H 0.000 . 4.000 2.492 2.492 2.492 . 0 0 "[ ]" 1
247 1 6 ILE MD 1 7 THR H 0.000 . 6.500 4.661 4.661 4.661 . 0 0 "[ ]" 1
248 1 7 THR H 1 8 LEU H 0.000 . 3.000 2.804 2.804 2.804 . 0 0 "[ ]" 1
249 1 7 THR HB 1 8 LEU H 0.000 . 4.000 2.391 2.391 2.391 . 0 0 "[ ]" 1
250 1 7 THR H 1 8 LEU QB 0.000 . 6.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
251 1 7 THR H 1 8 LEU HG 0.000 . 5.000 5.204 5.204 5.204 0.204 1 0 "[ ]" 1
252 1 8 LEU HA 1 9 GLN H 0.000 . 4.000 3.459 3.459 3.459 . 0 0 "[ ]" 1
253 1 8 LEU H 1 9 GLN H 0.000 . 3.000 3.034 3.034 3.034 0.034 1 0 "[ ]" 1
254 1 8 LEU QB 1 9 GLN H 0.000 . 4.000 1.768 1.768 1.768 . 0 0 "[ ]" 1
255 1 8 LEU HG 1 9 GLN H 0.000 . 3.000 3.813 3.813 3.813 0.813 1 1 [+] 1
256 1 8 LEU MD1 1 9 GLN H 0.000 . 6.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
257 1 8 LEU MD2 1 9 GLN H 0.000 . 6.000 3.911 3.911 3.911 . 0 0 "[ ]" 1
258 1 9 GLN H 1 10 GLU H 0.000 . 3.000 3.136 3.136 3.136 0.136 1 0 "[ ]" 1
259 1 9 GLN HA 1 10 GLU H 0.000 . 4.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
260 1 10 GLU HA 1 11 ILE H 0.000 . 4.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
261 1 10 GLU H 1 11 ILE H 0.000 . 3.000 2.738 2.738 2.738 . 0 0 "[ ]" 1
262 1 10 GLU QB 1 11 ILE H 0.000 . 6.000 2.298 2.298 2.298 . 0 0 "[ ]" 1
263 1 10 GLU QG 1 11 ILE H 0.000 . 6.000 3.080 3.080 3.080 . 0 0 "[ ]" 1
264 1 11 ILE HA 1 12 ILE H 0.000 . 5.000 3.498 3.498 3.498 . 0 0 "[ ]" 1
265 1 11 ILE H 1 12 ILE H 0.000 . 3.000 2.981 2.981 2.981 . 0 0 "[ ]" 1
266 1 11 ILE H 1 12 ILE MD 0.000 . 7.500 5.080 5.080 5.080 . 0 0 "[ ]" 1
267 1 11 ILE H 1 12 ILE QG 0.000 . 6.000 4.330 4.330 4.330 . 0 0 "[ ]" 1
268 1 11 ILE H 1 12 ILE HB 0.000 . 5.000 4.607 4.607 4.607 . 0 0 "[ ]" 1
269 1 11 ILE MG 1 12 ILE H 0.000 . 5.500 2.304 2.304 2.304 . 0 0 "[ ]" 1
270 1 11 ILE QG 1 12 ILE H 0.000 . 6.000 4.084 4.084 4.084 . 0 0 "[ ]" 1
271 1 11 ILE HB 1 12 ILE H 0.000 . 3.000 2.465 2.465 2.465 . 0 0 "[ ]" 1
272 1 12 ILE HA 1 13 LYS H 0.000 . 4.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
273 1 12 ILE H 1 13 LYS H 0.000 . 3.000 3.207 3.207 3.207 0.207 1 0 "[ ]" 1
274 1 12 ILE MD 1 13 LYS H 0.000 . 6.500 4.331 4.331 4.331 . 0 0 "[ ]" 1
275 1 12 ILE MG 1 13 LYS H 0.000 . 5.500 2.684 2.684 2.684 . 0 0 "[ ]" 1
276 1 12 ILE HG13 1 13 LYS H 0.000 . 6.000 4.317 4.317 4.317 . 0 0 "[ ]" 1
277 1 12 ILE HG12 1 13 LYS H 0.000 . 6.000 4.735 4.735 4.735 . 0 0 "[ ]" 1
278 1 12 ILE HB 1 13 LYS H 0.000 . 3.000 2.248 2.248 2.248 . 0 0 "[ ]" 1
279 1 13 LYS HA 1 14 THR H 0.000 . 4.000 3.565 3.565 3.565 . 0 0 "[ ]" 1
280 1 13 LYS H 1 14 THR H 0.000 . 3.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
281 1 14 THR HA 1 15 LEU H 0.000 . 4.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
282 1 14 THR H 1 15 LEU H 0.000 . 3.000 2.930 2.930 2.930 . 0 0 "[ ]" 1
283 1 14 THR HB 1 15 LEU H 0.000 . 3.000 2.563 2.563 2.563 . 0 0 "[ ]" 1
284 1 14 THR MG 1 15 LEU H 0.000 . 5.500 3.650 3.650 3.650 . 0 0 "[ ]" 1
285 1 15 LEU HA 1 16 ASN H 0.000 . 4.000 3.445 3.445 3.445 . 0 0 "[ ]" 1
286 1 15 LEU H 1 16 ASN H 0.000 . 3.000 2.612 2.612 2.612 . 0 0 "[ ]" 1
287 1 15 LEU H 1 16 ASN QB 0.000 . 5.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
288 1 15 LEU HA 1 16 ASN HD21 0.000 . 6.000 4.759 4.759 4.759 . 0 0 "[ ]" 1
289 1 15 LEU HA 1 16 ASN HD22 0.000 . 6.000 6.188 6.188 6.188 0.188 1 0 "[ ]" 1
290 1 16 ASN HA 1 17 SER H 0.000 . 5.000 3.512 3.512 3.512 . 0 0 "[ ]" 1
291 1 16 ASN H 1 17 SER H 0.000 . 3.000 3.054 3.054 3.054 0.054 1 0 "[ ]" 1
292 1 16 ASN QD 1 17 SER H 0.000 . 7.000 4.322 4.322 4.322 . 0 0 "[ ]" 1
293 1 16 ASN QB 1 17 SER H 0.000 . 3.000 2.311 2.311 2.311 . 0 0 "[ ]" 1
294 1 17 SER HA 1 18 LEU H 0.000 . 4.000 3.530 3.530 3.530 . 0 0 "[ ]" 1
295 1 17 SER H 1 18 LEU H 0.000 . 3.000 3.112 3.112 3.112 0.112 1 0 "[ ]" 1
296 1 17 SER HB3 1 18 LEU H 0.000 . 3.000 1.966 1.966 1.966 . 0 0 "[ ]" 1
297 1 17 SER HB2 1 18 LEU H 0.000 . 3.000 3.366 3.366 3.366 0.366 1 0 "[ ]" 1
298 1 17 SER H 1 18 LEU HA 0.000 . 6.000 5.648 5.648 5.648 . 0 0 "[ ]" 1
299 1 18 LEU HA 1 19 THR H 0.000 . 4.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
300 1 18 LEU H 1 19 THR H 0.000 . 3.000 3.054 3.054 3.054 0.054 1 0 "[ ]" 1
301 1 18 LEU QB 1 19 THR H 0.000 . 5.000 2.413 2.413 2.413 . 0 0 "[ ]" 1
302 1 18 LEU HG 1 19 THR H 0.000 . 6.000 4.492 4.492 4.492 . 0 0 "[ ]" 1
303 1 18 LEU MD1 1 19 THR H 0.000 . 6.500 3.632 3.632 3.632 . 0 0 "[ ]" 1
304 1 18 LEU MD2 1 19 THR H 0.000 . 6.500 4.866 4.866 4.866 . 0 0 "[ ]" 1
305 1 19 THR HA 1 20 GLU H 0.000 . 4.000 3.557 3.557 3.557 . 0 0 "[ ]" 1
306 1 19 THR H 1 20 GLU HA 0.000 . 5.000 5.158 5.158 5.158 0.158 1 0 "[ ]" 1
307 1 19 THR H 1 20 GLU H 0.000 . 3.000 2.572 2.572 2.572 . 0 0 "[ ]" 1
308 1 19 THR H 1 20 GLU QB 0.000 . 6.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
309 1 19 THR HB 1 20 GLU H 0.000 . 5.000 3.326 3.326 3.326 . 0 0 "[ ]" 1
310 1 19 THR MG 1 20 GLU H 0.000 . 6.500 3.804 3.804 3.804 . 0 0 "[ ]" 1
311 1 20 GLU QB 1 21 GLN H 0.000 . 4.000 2.192 2.192 2.192 . 0 0 "[ ]" 1
312 1 20 GLU HA 1 21 GLN H 0.000 . 4.000 3.457 3.457 3.457 . 0 0 "[ ]" 1
313 1 20 GLU H 1 21 GLN H 0.000 . 3.000 3.035 3.035 3.035 0.035 1 0 "[ ]" 1
314 1 20 GLU QB 1 21 GLN QE 0.000 . 8.000 3.821 3.821 3.821 . 0 0 "[ ]" 1
315 1 21 GLN HA 1 22 LYS H 0.000 . 4.000 2.182 2.182 2.182 . 0 0 "[ ]" 1
316 1 21 GLN H 1 22 LYS H 0.000 . 5.000 3.940 3.940 3.940 . 0 0 "[ ]" 1
317 1 21 GLN QB 1 22 LYS H 0.000 . 6.000 3.707 3.707 3.707 . 0 0 "[ ]" 1
318 1 21 GLN QG 1 22 LYS H 0.000 . 7.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
319 1 22 LYS HA 1 23 THR H 0.000 . 2.500 2.379 2.379 2.379 . 0 0 "[ ]" 1
320 1 22 LYS H 1 23 THR H 0.000 . 5.000 4.603 4.603 4.603 . 0 0 "[ ]" 1
321 1 23 THR HA 1 24 LEU H 0.000 . 3.000 2.863 2.863 2.863 . 0 0 "[ ]" 1
322 1 23 THR H 1 24 LEU H 0.000 . 5.000 4.218 4.218 4.218 . 0 0 "[ ]" 1
323 1 23 THR MG 1 24 LEU H 0.000 . 5.500 3.619 3.619 3.619 . 0 0 "[ ]" 1
324 1 23 THR HB 1 24 LEU H 0.000 . 3.000 1.906 1.906 1.906 . 0 0 "[ ]" 1
325 1 24 LEU HA 1 25 CYS H 0.000 . 4.000 3.233 3.233 3.233 . 0 0 "[ ]" 1
326 1 24 LEU H 1 25 CYS H 0.000 . 6.000 2.167 2.167 2.167 . 0 0 "[ ]" 1
327 1 24 LEU HG 1 25 CYS H 0.000 . 5.000 4.509 4.509 4.509 . 0 0 "[ ]" 1
328 1 24 LEU QB 1 25 CYS H 0.000 . 4.000 3.347 3.347 3.347 . 0 0 "[ ]" 1
329 1 24 LEU MD1 1 25 CYS H 0.000 . 6.500 3.641 3.641 3.641 . 0 0 "[ ]" 1
330 1 24 LEU MD2 1 25 CYS H 0.000 . 6.500 5.274 5.274 5.274 . 0 0 "[ ]" 1
331 1 25 CYS HB3 1 26 THR H 0.000 . 5.000 4.097 4.097 4.097 . 0 0 "[ ]" 1
332 1 25 CYS HB2 1 26 THR H 0.000 . 5.000 2.956 2.956 2.956 . 0 0 "[ ]" 1
333 1 25 CYS HA 1 26 THR H 0.000 . 4.000 3.517 3.517 3.517 . 0 0 "[ ]" 1
334 1 25 CYS H 1 26 THR H 0.000 . 3.000 2.149 2.149 2.149 . 0 0 "[ ]" 1
335 1 28 LEU HA 1 29 THR H 0.000 . 2.500 2.145 2.145 2.145 . 0 0 "[ ]" 1
336 1 28 LEU HB3 1 29 THR H 0.000 . 4.000 4.149 4.149 4.149 0.149 1 0 "[ ]" 1
337 1 28 LEU HB2 1 29 THR H 0.000 . 4.000 4.198 4.198 4.198 0.198 1 0 "[ ]" 1
338 1 28 LEU HG 1 29 THR H 0.000 . 6.000 4.853 4.853 4.853 . 0 0 "[ ]" 1
339 1 28 LEU MD1 1 29 THR H 0.000 . 6.500 5.489 5.489 5.489 . 0 0 "[ ]" 1
340 1 28 LEU MD2 1 29 THR H 0.000 . 6.500 4.038 4.038 4.038 . 0 0 "[ ]" 1
341 1 28 LEU H 1 29 THR H 0.000 . 6.000 3.357 3.357 3.357 . 0 0 "[ ]" 1
342 1 29 THR HA 1 30 VAL H 0.000 . 3.000 1.855 1.855 1.855 . 0 0 "[ ]" 1
343 1 29 THR HB 1 30 VAL H 0.000 . 3.000 3.191 3.191 3.191 0.191 1 0 "[ ]" 1
344 1 29 THR MG 1 30 VAL H 0.000 . 6.500 3.989 3.989 3.989 . 0 0 "[ ]" 1
345 1 29 THR H 1 30 VAL H 0.000 . 5.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
346 1 30 VAL HB 1 31 THR H 0.000 . 3.000 2.137 2.137 2.137 . 0 0 "[ ]" 1
347 1 30 VAL HA 1 31 THR H 0.000 . 2.500 2.576 2.576 2.576 0.076 1 0 "[ ]" 1
348 1 30 VAL H 1 31 THR H 0.000 . 6.000 4.503 4.503 4.503 . 0 0 "[ ]" 1
349 1 30 VAL MG1 1 31 THR H 0.000 . 5.500 3.664 3.664 3.664 . 0 0 "[ ]" 1
350 1 30 VAL MG2 1 31 THR H 0.000 . 5.500 2.969 2.969 2.969 . 0 0 "[ ]" 1
351 1 31 THR HA 1 32 ASP H 0.000 . 2.500 2.066 2.066 2.066 . 0 0 "[ ]" 1
352 1 31 THR HB 1 32 ASP H 0.000 . 5.000 4.264 4.264 4.264 . 0 0 "[ ]" 1
353 1 31 THR MG 1 32 ASP H 0.000 . 4.500 2.685 2.685 2.685 . 0 0 "[ ]" 1
354 1 31 THR H 1 32 ASP H 0.000 . 5.000 4.530 4.530 4.530 . 0 0 "[ ]" 1
355 1 32 ASP HB3 1 33 ILE H 0.000 . 6.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
356 1 32 ASP HB2 1 33 ILE H 0.000 . 6.000 4.647 4.647 4.647 . 0 0 "[ ]" 1
357 1 32 ASP HA 1 33 ILE H 0.000 . 2.500 2.529 2.529 2.529 0.029 1 0 "[ ]" 1
358 1 32 ASP H 1 33 ILE H 0.000 . 5.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
359 1 32 ASP H 1 33 ILE QG 0.000 . 7.500 5.212 5.212 5.212 . 0 0 "[ ]" 1
360 1 32 ASP H 1 33 ILE MD 0.000 . 7.500 6.391 6.391 6.391 . 0 0 "[ ]" 1
361 1 33 ILE HA 1 34 PHE H 0.000 . 4.000 3.464 3.464 3.464 . 0 0 "[ ]" 1
362 1 33 ILE H 1 34 PHE H 0.000 . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 1
363 1 33 ILE H 1 34 PHE QE 0.000 . 7.000 5.572 5.572 5.572 . 0 0 "[ ]" 1
364 1 33 ILE H 1 34 PHE HA 0.000 . 6.000 5.558 5.558 5.558 . 0 0 "[ ]" 1
365 1 33 ILE HB 1 34 PHE H 0.000 . 5.000 3.867 3.867 3.867 . 0 0 "[ ]" 1
366 1 33 ILE HG13 1 34 PHE H 0.000 . 5.000 2.462 2.462 2.462 . 0 0 "[ ]" 1
367 1 33 ILE HG12 1 34 PHE H 0.000 . 5.000 4.032 4.032 4.032 . 0 0 "[ ]" 1
368 1 33 ILE MG 1 34 PHE H 0.000 . 6.500 4.090 4.090 4.090 . 0 0 "[ ]" 1
369 1 33 ILE MD 1 34 PHE H 0.000 . 6.500 2.365 2.365 2.365 . 0 0 "[ ]" 1
370 1 33 ILE MD 1 34 PHE QD 0.000 . 9.500 2.764 2.764 2.764 . 0 0 "[ ]" 1
371 1 33 ILE MD 1 34 PHE QE 0.000 . 8.500 2.901 2.901 2.901 . 0 0 "[ ]" 1
372 1 33 ILE MD 1 34 PHE HZ 0.000 . 7.500 3.524 3.524 3.524 . 0 0 "[ ]" 1
373 1 34 PHE H 1 35 ALA HA 0.000 . 6.000 5.420 5.420 5.420 . 0 0 "[ ]" 1
374 1 34 PHE H 1 35 ALA MB 0.000 . 6.000 4.479 4.479 4.479 . 0 0 "[ ]" 1
375 1 34 PHE HB3 1 35 ALA H 0.000 . 4.000 3.835 3.835 3.835 . 0 0 "[ ]" 1
376 1 34 PHE HB2 1 35 ALA H 0.000 . 4.000 2.831 2.831 2.831 . 0 0 "[ ]" 1
377 1 34 PHE HA 1 35 ALA H 0.000 . 4.000 3.510 3.510 3.510 . 0 0 "[ ]" 1
378 1 34 PHE H 1 35 ALA H 0.000 . 3.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
379 1 34 PHE QD 1 35 ALA H 0.000 . 7.000 4.372 4.372 4.372 . 0 0 "[ ]" 1
380 1 34 PHE QE 1 35 ALA H 0.000 . 8.000 6.299 6.299 6.299 . 0 0 "[ ]" 1
381 1 35 ALA HA 1 36 ALA H 0.000 . 3.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
382 1 35 ALA MB 1 36 ALA H 0.000 . 4.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
383 1 35 ALA H 1 36 ALA H 0.000 . 3.000 3.017 3.017 3.017 0.017 1 0 "[ ]" 1
384 1 36 ALA HA 1 37 SER H 0.000 . 4.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
385 1 36 ALA MB 1 37 SER H 0.000 . 5.500 2.378 2.378 2.378 . 0 0 "[ ]" 1
386 1 36 ALA H 1 37 SER H 0.000 . 5.000 1.967 1.967 1.967 . 0 0 "[ ]" 1
387 1 36 ALA H 1 37 SER QB 0.000 . 7.000 3.827 3.827 3.827 . 0 0 "[ ]" 1
388 1 37 SER HB3 1 38 LYS H 0.000 . 5.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
389 1 37 SER HB2 1 38 LYS H 0.000 . 5.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
390 1 37 SER HA 1 38 LYS H 0.000 . 3.000 3.031 3.031 3.031 0.031 1 0 "[ ]" 1
391 1 37 SER H 1 38 LYS H 0.000 . 3.000 2.606 2.606 2.606 . 0 0 "[ ]" 1
392 1 38 LYS HA 1 39 ASN H 0.000 . 3.000 3.365 3.365 3.365 0.365 1 0 "[ ]" 1
393 1 38 LYS H 1 39 ASN H 0.000 . 3.000 2.643 2.643 2.643 . 0 0 "[ ]" 1
394 1 38 LYS H 1 39 ASN HA 0.000 . 6.000 5.397 5.397 5.397 . 0 0 "[ ]" 1
395 1 38 LYS QB 1 39 ASN H 0.000 . 4.000 2.640 2.640 2.640 . 0 0 "[ ]" 1
396 1 39 ASN H 1 40 THR HA 0.000 . 5.000 5.138 5.138 5.138 0.138 1 0 "[ ]" 1
397 1 39 ASN HB3 1 40 THR H 0.000 . 5.000 4.502 4.502 4.502 . 0 0 "[ ]" 1
398 1 39 ASN HB2 1 40 THR H 0.000 . 5.000 4.010 4.010 4.010 . 0 0 "[ ]" 1
399 1 39 ASN HA 1 40 THR H 0.000 . 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1
400 1 39 ASN H 1 40 THR H 0.000 . 3.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
401 1 39 ASN H 1 40 THR HB 0.000 . 6.000 5.669 5.669 5.669 . 0 0 "[ ]" 1
402 1 40 THR HB 1 41 THR H 0.000 . 3.000 2.347 2.347 2.347 . 0 0 "[ ]" 1
403 1 40 THR MG 1 41 THR H 0.000 . 4.500 3.635 3.635 3.635 . 0 0 "[ ]" 1
404 1 40 THR HA 1 41 THR H 0.000 . 2.500 2.671 2.671 2.671 0.171 1 0 "[ ]" 1
405 1 40 THR H 1 41 THR H 0.000 . 4.000 4.146 4.146 4.146 0.146 1 0 "[ ]" 1
406 1 41 THR HA 1 42 GLU H 0.000 . 3.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
407 1 41 THR HB 1 42 GLU H 0.000 . 2.500 2.569 2.569 2.569 0.069 1 0 "[ ]" 1
408 1 41 THR H 1 42 GLU H 0.000 . 5.000 4.590 4.590 4.590 . 0 0 "[ ]" 1
409 1 41 THR MG 1 42 GLU H 0.000 . 6.500 3.770 3.770 3.770 . 0 0 "[ ]" 1
410 1 42 GLU QB 1 43 LYS H 0.000 . 3.500 2.376 2.376 2.376 . 0 0 "[ ]" 1
411 1 42 GLU HA 1 43 LYS H 0.000 . 4.000 3.494 3.494 3.494 . 0 0 "[ ]" 1
412 1 42 GLU H 1 43 LYS HA 0.000 . 6.000 5.494 5.494 5.494 . 0 0 "[ ]" 1
413 1 42 GLU H 1 43 LYS H 0.000 . 5.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
414 1 43 LYS H 1 44 GLU H 0.000 . 3.000 3.081 3.081 3.081 0.081 1 0 "[ ]" 1
415 1 43 LYS H 1 44 GLU QG 0.000 . 7.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
416 1 44 GLU H 1 45 THR HB 0.000 . 5.000 4.652 4.652 4.652 . 0 0 "[ ]" 1
417 1 44 GLU QB 1 45 THR H 0.000 . 4.000 2.406 2.406 2.406 . 0 0 "[ ]" 1
418 1 44 GLU QG 1 45 THR H 0.000 . 4.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
419 1 44 GLU HA 1 45 THR H 0.000 . 4.000 3.420 3.420 3.420 . 0 0 "[ ]" 1
420 1 44 GLU H 1 45 THR H 0.000 . 3.000 2.469 2.469 2.469 . 0 0 "[ ]" 1
421 1 44 GLU H 1 45 THR HA 0.000 . 6.000 5.218 5.218 5.218 . 0 0 "[ ]" 1
422 1 45 THR MG 1 46 PHE H 0.000 . 5.500 3.542 3.542 3.542 . 0 0 "[ ]" 1
423 1 45 THR HB 1 46 PHE H 0.000 . 3.000 2.214 2.214 2.214 . 0 0 "[ ]" 1
424 1 45 THR HA 1 46 PHE H 0.000 . 4.000 3.382 3.382 3.382 . 0 0 "[ ]" 1
425 1 45 THR H 1 46 PHE H 0.000 . 3.000 2.423 2.423 2.423 . 0 0 "[ ]" 1
426 1 45 THR H 1 46 PHE QD 0.000 . 8.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
427 1 45 THR H 1 46 PHE QE 0.000 . 8.000 6.016 6.016 6.016 . 0 0 "[ ]" 1
428 1 45 THR H 1 46 PHE HA 0.000 . 6.000 5.117 5.117 5.117 . 0 0 "[ ]" 1
429 1 45 THR H 1 46 PHE HB3 0.000 . 5.000 5.467 5.467 5.467 0.467 1 0 "[ ]" 1
430 1 45 THR H 1 46 PHE HB2 0.000 . 5.000 3.892 3.892 3.892 . 0 0 "[ ]" 1
431 1 46 PHE H 1 47 CYS H 0.000 . 3.000 2.684 2.684 2.684 . 0 0 "[ ]" 1
432 1 46 PHE HA 1 47 CYS H 0.000 . 5.000 3.534 3.534 3.534 . 0 0 "[ ]" 1
433 1 46 PHE QD 1 47 CYS H 0.000 . 8.000 4.633 4.633 4.633 . 0 0 "[ ]" 1
434 1 46 PHE HB3 1 47 CYS H 0.000 . 4.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
435 1 46 PHE HB2 1 47 CYS H 0.000 . 4.000 2.959 2.959 2.959 . 0 0 "[ ]" 1
436 1 46 PHE H 1 47 CYS HA 0.000 . 6.000 5.314 5.314 5.314 . 0 0 "[ ]" 1
437 1 47 CYS HB3 1 48 ARG H 0.000 . 4.000 2.317 2.317 2.317 . 0 0 "[ ]" 1
438 1 47 CYS HB2 1 48 ARG H 0.000 . 4.000 3.451 3.451 3.451 . 0 0 "[ ]" 1
439 1 47 CYS HA 1 48 ARG H 0.000 . 5.000 3.488 3.488 3.488 . 0 0 "[ ]" 1
440 1 47 CYS H 1 48 ARG H 0.000 . 3.000 2.630 2.630 2.630 . 0 0 "[ ]" 1
441 1 48 ARG HA 1 49 ALA H 0.000 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
442 1 48 ARG H 1 49 ALA H 0.000 . 3.000 2.431 2.431 2.431 . 0 0 "[ ]" 1
443 1 49 ALA HA 1 50 ALA H 0.000 . 5.000 3.495 3.495 3.495 . 0 0 "[ ]" 1
444 1 49 ALA H 1 50 ALA H 0.000 . 3.000 3.079 3.079 3.079 0.079 1 0 "[ ]" 1
445 1 50 ALA HA 1 51 THR H 0.000 . 5.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
446 1 50 ALA H 1 51 THR H 0.000 . 3.000 3.054 3.054 3.054 0.054 1 0 "[ ]" 1
447 1 51 THR HB 1 52 VAL H 0.000 . 3.000 2.220 2.220 2.220 . 0 0 "[ ]" 1
448 1 51 THR H 1 52 VAL H 0.000 . 3.000 3.064 3.064 3.064 0.064 1 0 "[ ]" 1
449 1 51 THR MG 1 52 VAL H 0.000 . 5.500 3.146 3.146 3.146 . 0 0 "[ ]" 1
450 1 52 VAL HA 1 53 LEU H 0.000 . 4.000 3.482 3.482 3.482 . 0 0 "[ ]" 1
451 1 52 VAL HB 1 53 LEU H 0.000 . 3.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
452 1 52 VAL MG1 1 53 LEU H 0.000 . 5.500 2.777 2.777 2.777 . 0 0 "[ ]" 1
453 1 52 VAL MG2 1 53 LEU H 0.000 . 5.500 3.789 3.789 3.789 . 0 0 "[ ]" 1
454 1 52 VAL H 1 53 LEU H 0.000 . 3.000 3.066 3.066 3.066 0.066 1 0 "[ ]" 1
455 1 55 GLN HA 1 56 PHE H 0.000 . 4.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
456 1 55 GLN H 1 56 PHE H 0.000 . 3.000 2.923 2.923 2.923 . 0 0 "[ ]" 1
457 1 55 GLN QG 1 56 PHE H 0.000 . 4.000 3.754 3.754 3.754 . 0 0 "[ ]" 1
458 1 55 GLN QB 1 56 PHE H 0.000 . 4.000 2.145 2.145 2.145 . 0 0 "[ ]" 1
459 1 56 PHE HB3 1 57 TYR H 0.000 . 4.000 1.963 1.963 1.963 . 0 0 "[ ]" 1
460 1 56 PHE HB2 1 57 TYR H 0.000 . 4.000 3.354 3.354 3.354 . 0 0 "[ ]" 1
461 1 56 PHE H 1 57 TYR QD 0.000 . 8.000 5.232 5.232 5.232 . 0 0 "[ ]" 1
462 1 56 PHE QD 1 57 TYR H 0.000 . 6.000 3.538 3.538 3.538 . 0 0 "[ ]" 1
463 1 56 PHE HA 1 57 TYR H 0.000 . 5.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
464 1 56 PHE H 1 57 TYR H 0.000 . 3.000 3.277 3.277 3.277 0.277 1 0 "[ ]" 1
465 1 57 TYR QD 1 58 SER H 0.000 . 6.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
466 1 57 TYR QE 1 58 SER H 0.000 . 7.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
467 1 57 TYR HB3 1 58 SER H 0.000 . 5.000 3.737 3.737 3.737 . 0 0 "[ ]" 1
468 1 57 TYR HB2 1 58 SER H 0.000 . 5.000 3.752 3.752 3.752 . 0 0 "[ ]" 1
469 1 57 TYR HA 1 58 SER H 0.000 . 5.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
470 1 57 TYR H 1 58 SER H 0.000 . 3.000 2.862 2.862 2.862 . 0 0 "[ ]" 1
471 1 58 SER HB3 1 59 HIS H 0.000 . 4.000 2.698 2.698 2.698 . 0 0 "[ ]" 1
472 1 58 SER HB2 1 59 HIS H 0.000 . 4.000 3.927 3.927 3.927 . 0 0 "[ ]" 1
473 1 58 SER HA 1 59 HIS H 0.000 . 5.000 3.500 3.500 3.500 . 0 0 "[ ]" 1
474 1 58 SER H 1 59 HIS H 0.000 . 3.000 2.901 2.901 2.901 . 0 0 "[ ]" 1
475 1 59 HIS HB3 1 60 HIS H 0.000 . 5.000 2.705 2.705 2.705 . 0 0 "[ ]" 1
476 1 59 HIS HB2 1 60 HIS H 0.000 . 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
477 1 59 HIS HA 1 60 HIS H 0.000 . 5.000 3.578 3.578 3.578 . 0 0 "[ ]" 1
478 1 59 HIS H 1 60 HIS H 0.000 . 3.000 2.543 2.543 2.543 . 0 0 "[ ]" 1
479 1 60 HIS QB 1 61 GLU H 0.000 . 6.000 3.422 3.422 3.422 . 0 0 "[ ]" 1
480 1 60 HIS HA 1 61 GLU H 0.000 . 5.000 3.355 3.355 3.355 . 0 0 "[ ]" 1
481 1 60 HIS H 1 61 GLU H 0.000 . 3.000 2.745 2.745 2.745 . 0 0 "[ ]" 1
482 1 61 GLU H 1 62 LYS H 0.000 . 5.000 2.852 2.852 2.852 . 0 0 "[ ]" 1
483 1 61 GLU HA 1 62 LYS H 0.000 . 3.000 3.381 3.381 3.381 0.381 1 0 "[ ]" 1
484 1 62 LYS HA 1 63 ASP H 0.000 . 4.000 2.493 2.493 2.493 . 0 0 "[ ]" 1
485 1 62 LYS H 1 63 ASP H 0.000 . 6.000 3.078 3.078 3.078 . 0 0 "[ ]" 1
486 1 63 ASP HB3 1 64 THR H 0.000 . 5.000 3.058 3.058 3.058 . 0 0 "[ ]" 1
487 1 63 ASP HB2 1 64 THR H 0.000 . 5.000 4.083 4.083 4.083 . 0 0 "[ ]" 1
488 1 63 ASP HA 1 64 THR H 0.000 . 3.000 3.208 3.208 3.208 0.208 1 0 "[ ]" 1
489 1 63 ASP H 1 64 THR H 0.000 . 6.000 1.939 1.939 1.939 . 0 0 "[ ]" 1
490 1 64 THR HB 1 65 ARG H 0.000 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
491 1 64 THR MG 1 65 ARG H 0.000 . 6.500 4.285 4.285 4.285 . 0 0 "[ ]" 1
492 1 64 THR HA 1 65 ARG H 0.000 . 5.000 2.579 2.579 2.579 . 0 0 "[ ]" 1
493 1 64 THR H 1 65 ARG H 0.000 . 4.000 3.319 3.319 3.319 . 0 0 "[ ]" 1
494 1 65 ARG HA 1 66 CYS H 0.000 . 5.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
495 1 65 ARG H 1 66 CYS H 0.000 . 3.000 1.950 1.950 1.950 . 0 0 "[ ]" 1
496 1 66 CYS H 1 67 LEU H 0.000 . 3.000 2.366 2.366 2.366 . 0 0 "[ ]" 1
497 1 66 CYS HB3 1 67 LEU H 0.000 . 5.000 2.868 2.868 2.868 . 0 0 "[ ]" 1
498 1 66 CYS HB2 1 67 LEU H 0.000 . 5.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
499 1 66 CYS HA 1 67 LEU H 0.000 . 4.000 3.514 3.514 3.514 . 0 0 "[ ]" 1
500 1 67 LEU H 1 68 GLY H 0.000 . 3.000 2.657 2.657 2.657 . 0 0 "[ ]" 1
501 1 67 LEU QD 1 68 GLY H 0.000 . 7.900 3.910 3.910 3.910 . 0 0 "[ ]" 1
502 1 67 LEU QB 1 68 GLY H 0.000 . 7.900 3.950 3.950 3.950 . 0 0 "[ ]" 1
503 1 68 GLY HA3 1 69 ALA H 0.000 . 3.000 3.370 3.370 3.370 0.370 1 0 "[ ]" 1
504 1 68 GLY HA2 1 69 ALA H 0.000 . 3.000 2.257 2.257 2.257 . 0 0 "[ ]" 1
505 1 68 GLY H 1 69 ALA H 0.000 . 3.000 3.023 3.023 3.023 0.023 1 0 "[ ]" 1
506 1 69 ALA HA 1 70 THR H 0.000 . 5.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
507 1 69 ALA H 1 70 THR H 0.000 . 3.000 2.174 2.174 2.174 . 0 0 "[ ]" 1
508 1 69 ALA H 1 70 THR MG 0.000 . 6.500 4.142 4.142 4.142 . 0 0 "[ ]" 1
509 1 69 ALA MB 1 70 THR H 0.000 . 5.500 2.144 2.144 2.144 . 0 0 "[ ]" 1
510 1 70 THR HA 1 71 ALA H 0.000 . 4.000 3.515 3.515 3.515 . 0 0 "[ ]" 1
511 1 70 THR MG 1 71 ALA H 0.000 . 6.500 1.670 1.670 1.670 . 0 0 "[ ]" 1
512 1 71 ALA MB 1 72 GLN H 0.000 . 4.500 2.223 2.223 2.223 . 0 0 "[ ]" 1
513 1 71 ALA HA 1 72 GLN H 0.000 . 5.000 3.537 3.537 3.537 . 0 0 "[ ]" 1
514 1 71 ALA H 1 72 GLN H 0.000 . 6.000 2.199 2.199 2.199 . 0 0 "[ ]" 1
515 1 72 GLN QB 1 73 GLN H 0.000 . 5.000 2.216 2.216 2.216 . 0 0 "[ ]" 1
516 1 72 GLN HA 1 73 GLN H 0.000 . 5.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
517 1 72 GLN H 1 73 GLN H 0.000 . 3.000 2.929 2.929 2.929 . 0 0 "[ ]" 1
518 1 72 GLN H 1 73 GLN QG 0.000 . 7.000 4.198 4.198 4.198 . 0 0 "[ ]" 1
519 1 73 GLN QG 1 74 PHE H 0.000 . 4.000 3.739 3.739 3.739 . 0 0 "[ ]" 1
520 1 73 GLN H 1 74 PHE HA 0.000 . 6.000 5.490 5.490 5.490 . 0 0 "[ ]" 1
521 1 73 GLN H 1 74 PHE QB 0.000 . 6.000 4.536 4.536 4.536 . 0 0 "[ ]" 1
522 1 73 GLN H 1 74 PHE H 0.000 . 3.000 2.864 2.864 2.864 . 0 0 "[ ]" 1
523 1 74 PHE HB3 1 75 HIS H 0.000 . 5.000 2.071 2.071 2.071 . 0 0 "[ ]" 1
524 1 74 PHE HB2 1 75 HIS H 0.000 . 5.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
525 1 74 PHE QD 1 75 HIS H 0.000 . 7.000 2.625 2.625 2.625 . 0 0 "[ ]" 1
526 1 74 PHE HA 1 75 HIS H 0.000 . 4.000 3.491 3.491 3.491 . 0 0 "[ ]" 1
527 1 74 PHE H 1 75 HIS H 0.000 . 4.000 3.056 3.056 3.056 . 0 0 "[ ]" 1
528 1 75 HIS HB3 1 76 ARG H 0.000 . 5.000 2.747 2.747 2.747 . 0 0 "[ ]" 1
529 1 75 HIS HB2 1 76 ARG H 0.000 . 5.000 3.428 3.428 3.428 . 0 0 "[ ]" 1
530 1 75 HIS HA 1 76 ARG H 0.000 . 4.000 3.579 3.579 3.579 . 0 0 "[ ]" 1
531 1 75 HIS H 1 76 ARG H 0.000 . 4.000 2.858 2.858 2.858 . 0 0 "[ ]" 1
532 1 76 ARG HA 1 77 HIS H 0.000 . 4.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
533 1 76 ARG H 1 77 HIS H 0.000 . 3.000 2.828 2.828 2.828 . 0 0 "[ ]" 1
534 1 77 HIS QB 1 78 LYS H 0.000 . 4.000 2.460 2.460 2.460 . 0 0 "[ ]" 1
535 1 77 HIS HD1 1 78 LYS H 0.000 . 5.000 3.348 3.348 3.348 . 0 0 "[ ]" 1
536 1 77 HIS HA 1 78 LYS H 0.000 . 5.000 3.545 3.545 3.545 . 0 0 "[ ]" 1
537 1 77 HIS H 1 78 LYS H 0.000 . 3.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
538 1 78 LYS HA 1 79 GLN H 0.000 . 5.000 3.586 3.586 3.586 . 0 0 "[ ]" 1
539 1 78 LYS H 1 79 GLN H 0.000 . 3.000 2.957 2.957 2.957 . 0 0 "[ ]" 1
540 1 79 GLN HA 1 80 LEU H 0.000 . 4.000 3.653 3.653 3.653 . 0 0 "[ ]" 1
541 1 79 GLN H 1 80 LEU QB 0.000 . 6.000 4.469 4.469 4.469 . 0 0 "[ ]" 1
542 1 79 GLN H 1 80 LEU H 0.000 . 3.000 3.011 3.011 3.011 0.011 1 0 "[ ]" 1
543 1 80 LEU HB3 1 81 ILE H 0.000 . 4.000 2.655 2.655 2.655 . 0 0 "[ ]" 1
544 1 80 LEU HB2 1 81 ILE H 0.000 . 4.000 2.727 2.727 2.727 . 0 0 "[ ]" 1
545 1 80 LEU QD 1 81 ILE H 0.000 . 7.900 3.877 3.877 3.877 . 0 0 "[ ]" 1
546 1 80 LEU HA 1 81 ILE H 0.000 . 5.000 3.602 3.602 3.602 . 0 0 "[ ]" 1
547 1 80 LEU H 1 81 ILE H 0.000 . 3.000 3.051 3.051 3.051 0.051 1 0 "[ ]" 1
548 1 80 LEU H 1 81 ILE MG 0.000 . 7.500 6.163 6.163 6.163 . 0 0 "[ ]" 1
549 1 80 LEU H 1 81 ILE MD 0.000 . 7.500 5.747 5.747 5.747 . 0 0 "[ ]" 1
550 1 81 ILE HB 1 82 ARG H 0.000 . 4.000 2.297 2.297 2.297 . 0 0 "[ ]" 1
551 1 81 ILE QG 1 82 ARG H 0.000 . 5.000 3.878 3.878 3.878 . 0 0 "[ ]" 1
552 1 81 ILE MG 1 82 ARG H 0.000 . 5.500 3.151 3.151 3.151 . 0 0 "[ ]" 1
553 1 81 ILE HA 1 82 ARG H 0.000 . 5.000 3.561 3.561 3.561 . 0 0 "[ ]" 1
554 1 81 ILE H 1 82 ARG H 0.000 . 3.000 3.050 3.050 3.050 0.050 1 0 "[ ]" 1
555 1 82 ARG H 1 83 PHE QD 0.000 . 8.000 4.806 4.806 4.806 . 0 0 "[ ]" 1
556 1 82 ARG H 1 83 PHE QB 0.000 . 6.000 4.744 4.744 4.744 . 0 0 "[ ]" 1
557 1 82 ARG HA 1 83 PHE H 0.000 . 4.000 3.569 3.569 3.569 . 0 0 "[ ]" 1
558 1 82 ARG H 1 83 PHE H 0.000 . 3.000 3.032 3.032 3.032 0.032 1 0 "[ ]" 1
559 1 83 PHE QD 1 84 LEU H 0.000 . 8.000 4.426 4.426 4.426 . 0 0 "[ ]" 1
560 1 83 PHE HB3 1 84 LEU H 0.000 . 4.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
561 1 83 PHE HB2 1 84 LEU H 0.000 . 4.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
562 1 83 PHE HA 1 84 LEU H 0.000 . 5.000 3.548 3.548 3.548 . 0 0 "[ ]" 1
563 1 83 PHE H 1 84 LEU H 0.000 . 3.000 2.893 2.893 2.893 . 0 0 "[ ]" 1
564 1 84 LEU QB 1 85 LYS H 0.000 . 5.000 2.220 2.220 2.220 . 0 0 "[ ]" 1
565 1 84 LEU MD1 1 85 LYS H 0.000 . 6.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
566 1 84 LEU MD2 1 85 LYS H 0.000 . 6.500 4.595 4.595 4.595 . 0 0 "[ ]" 1
567 1 84 LEU HA 1 85 LYS H 0.000 . 5.000 3.570 3.570 3.570 . 0 0 "[ ]" 1
568 1 84 LEU H 1 85 LYS H 0.000 . 3.000 2.954 2.954 2.954 . 0 0 "[ ]" 1
569 1 85 LYS H 1 86 ARG HA 0.000 . 6.000 5.452 5.452 5.452 . 0 0 "[ ]" 1
570 1 85 LYS HA 1 86 ARG H 0.000 . 4.000 3.529 3.529 3.529 . 0 0 "[ ]" 1
571 1 85 LYS H 1 86 ARG H 0.000 . 3.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
572 1 86 ARG HA 1 87 LEU H 0.000 . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
573 1 86 ARG H 1 87 LEU H 0.000 . 3.000 2.979 2.979 2.979 . 0 0 "[ ]" 1
574 1 87 LEU QB 1 88 ASP H 0.000 . 5.000 3.208 3.208 3.208 . 0 0 "[ ]" 1
575 1 87 LEU HG 1 88 ASP H 0.000 . 4.000 1.855 1.855 1.855 . 0 0 "[ ]" 1
576 1 87 LEU MD1 1 88 ASP H 0.000 . 6.500 2.844 2.844 2.844 . 0 0 "[ ]" 1
577 1 87 LEU MD2 1 88 ASP H 0.000 . 6.500 3.643 3.643 3.643 . 0 0 "[ ]" 1
578 1 87 LEU HA 1 88 ASP H 0.000 . 4.000 3.606 3.606 3.606 . 0 0 "[ ]" 1
579 1 87 LEU H 1 88 ASP H 0.000 . 4.000 2.753 2.753 2.753 . 0 0 "[ ]" 1
580 1 88 ASP HB3 1 89 ARG H 0.000 . 4.000 2.232 2.232 2.232 . 0 0 "[ ]" 1
581 1 88 ASP HB2 1 89 ARG H 0.000 . 4.000 3.568 3.568 3.568 . 0 0 "[ ]" 1
582 1 88 ASP HA 1 89 ARG H 0.000 . 5.000 3.519 3.519 3.519 . 0 0 "[ ]" 1
583 1 88 ASP H 1 89 ARG H 0.000 . 4.000 3.078 3.078 3.078 . 0 0 "[ ]" 1
584 1 89 ARG HA 1 90 ASN H 0.000 . 4.000 3.523 3.523 3.523 . 0 0 "[ ]" 1
585 1 89 ARG HA 1 90 ASN QD 0.000 . 6.000 5.242 5.242 5.242 . 0 0 "[ ]" 1
586 1 89 ARG H 1 90 ASN H 0.000 . 3.000 3.007 3.007 3.007 0.007 1 0 "[ ]" 1
587 1 90 ASN HD21 1 91 LEU H 0.000 . 6.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
588 1 90 ASN HD22 1 91 LEU H 0.000 . 6.000 5.790 5.790 5.790 . 0 0 "[ ]" 1
589 1 90 ASN HB3 1 91 LEU H 0.000 . 5.000 3.226 3.226 3.226 . 0 0 "[ ]" 1
590 1 90 ASN HB2 1 91 LEU H 0.000 . 5.000 2.553 2.553 2.553 . 0 0 "[ ]" 1
591 1 90 ASN HA 1 91 LEU H 0.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
592 1 90 ASN H 1 91 LEU H 0.000 . 3.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
593 1 91 LEU HA 1 92 TRP H 0.000 . 6.000 3.481 3.481 3.481 . 0 0 "[ ]" 1
594 1 91 LEU H 1 92 TRP H 0.000 . 4.000 3.075 3.075 3.075 . 0 0 "[ ]" 1
595 1 91 LEU QD 1 92 TRP HE3 0.000 . 8.900 6.334 6.334 6.334 . 0 0 "[ ]" 1
596 1 92 TRP HE3 1 93 GLY H 0.000 . 6.000 2.940 2.940 2.940 . 0 0 "[ ]" 1
597 1 92 TRP QB 1 93 GLY H 0.000 . 5.000 2.274 2.274 2.274 . 0 0 "[ ]" 1
598 1 92 TRP HA 1 93 GLY H 0.000 . 5.000 3.507 3.507 3.507 . 0 0 "[ ]" 1
599 1 92 TRP H 1 93 GLY H 0.000 . 5.000 3.060 3.060 3.060 . 0 0 "[ ]" 1
600 1 93 GLY HA3 1 94 LEU H 0.000 . 4.000 2.468 2.468 2.468 . 0 0 "[ ]" 1
601 1 93 GLY HA2 1 94 LEU H 0.000 . 4.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
602 1 93 GLY H 1 94 LEU H 0.000 . 4.000 2.988 2.988 2.988 . 0 0 "[ ]" 1
603 1 93 GLY H 1 94 LEU QD 0.000 . 8.900 3.358 3.358 3.358 . 0 0 "[ ]" 1
604 1 94 LEU HA 1 95 ALA H 0.000 . 4.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
605 1 94 LEU H 1 95 ALA H 0.000 . 4.000 2.813 2.813 2.813 . 0 0 "[ ]" 1
606 1 95 ALA MB 1 96 GLY H 0.000 . 5.500 2.208 2.208 2.208 . 0 0 "[ ]" 1
607 1 95 ALA HA 1 96 GLY H 0.000 . 5.000 3.583 3.583 3.583 . 0 0 "[ ]" 1
608 1 95 ALA H 1 96 GLY H 0.000 . 4.000 3.170 3.170 3.170 . 0 0 "[ ]" 1
609 1 96 GLY HA3 1 97 LEU H 0.000 . 5.000 2.938 2.938 2.938 . 0 0 "[ ]" 1
610 1 96 GLY HA2 1 97 LEU H 0.000 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
611 1 96 GLY H 1 97 LEU H 0.000 . 4.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
612 1 96 GLY H 1 97 LEU QB 0.000 . 7.000 5.460 5.460 5.460 . 0 0 "[ ]" 1
613 1 96 GLY H 1 97 LEU QD 0.000 . 8.900 3.625 3.625 3.625 . 0 0 "[ ]" 1
614 1 97 LEU QB 1 98 ASN H 0.000 . 6.000 1.747 1.747 1.747 . 0 0 "[ ]" 1
615 1 97 LEU QD 1 98 ASN H 0.000 . 7.900 2.478 2.478 2.478 . 0 0 "[ ]" 1
616 1 97 LEU HA 1 98 ASN H 0.000 . 4.000 3.293 3.293 3.293 . 0 0 "[ ]" 1
617 1 97 LEU H 1 98 ASN H 0.000 . 6.000 4.030 4.030 4.030 . 0 0 "[ ]" 1
618 1 98 ASN QB 1 99 SER H 0.000 . 6.000 3.134 3.134 3.134 . 0 0 "[ ]" 1
619 1 98 ASN HA 1 99 SER H 0.000 . 5.000 3.566 3.566 3.566 . 0 0 "[ ]" 1
620 1 98 ASN H 1 99 SER H 0.000 . 5.000 2.291 2.291 2.291 . 0 0 "[ ]" 1
621 1 99 SER QB 1 100 CYS H 0.000 . 6.000 3.377 3.377 3.377 . 0 0 "[ ]" 1
622 1 99 SER HA 1 100 CYS H 0.000 . 3.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
623 1 99 SER H 1 100 CYS H 0.000 . 6.000 4.323 4.323 4.323 . 0 0 "[ ]" 1
624 1 100 CYS HA 1 101 PRO QD 0.000 . 5.000 2.081 2.081 2.081 . 0 0 "[ ]" 1
625 1 100 CYS H 1 101 PRO HD3 0.000 . 5.000 4.795 4.795 4.795 . 0 0 "[ ]" 1
626 1 100 CYS H 1 101 PRO HD2 0.000 . 5.000 4.903 4.903 4.903 . 0 0 "[ ]" 1
627 1 101 PRO HA 1 102 VAL H 0.000 . 2.500 2.435 2.435 2.435 . 0 0 "[ ]" 1
628 1 102 VAL HB 1 103 LYS H 0.000 . 5.000 4.231 4.231 4.231 . 0 0 "[ ]" 1
629 1 102 VAL MG1 1 103 LYS H 0.000 . 6.500 4.068 4.068 4.068 . 0 0 "[ ]" 1
630 1 102 VAL MG2 1 103 LYS H 0.000 . 6.500 2.791 2.791 2.791 . 0 0 "[ ]" 1
631 1 102 VAL HA 1 103 LYS H 0.000 . 3.000 2.069 2.069 2.069 . 0 0 "[ ]" 1
632 1 102 VAL H 1 103 LYS H 0.000 . 5.000 4.328 4.328 4.328 . 0 0 "[ ]" 1
633 1 103 LYS QB 1 104 GLU H 0.000 . 6.000 3.733 3.733 3.733 . 0 0 "[ ]" 1
634 1 103 LYS H 1 104 GLU QG 0.000 . 7.000 5.869 5.869 5.869 . 0 0 "[ ]" 1
635 1 103 LYS HA 1 104 GLU H 0.000 . 2.500 2.181 2.181 2.181 . 0 0 "[ ]" 1
636 1 103 LYS H 1 104 GLU H 0.000 . 5.000 3.790 3.790 3.790 . 0 0 "[ ]" 1
637 1 104 GLU QB 1 105 ALA H 0.000 . 6.000 3.043 3.043 3.043 . 0 0 "[ ]" 1
638 1 104 GLU QG 1 105 ALA H 0.000 . 7.000 4.414 4.414 4.414 . 0 0 "[ ]" 1
639 1 104 GLU HA 1 105 ALA H 0.000 . 2.500 2.142 2.142 2.142 . 0 0 "[ ]" 1
640 1 104 GLU H 1 105 ALA H 0.000 . 6.000 4.569 4.569 4.569 . 0 0 "[ ]" 1
641 1 105 ALA MB 1 106 ASN H 0.000 . 4.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
642 1 105 ALA MB 1 106 ASN HD21 0.000 . 6.500 4.156 4.156 4.156 . 0 0 "[ ]" 1
643 1 105 ALA MB 1 106 ASN HD22 0.000 . 6.500 4.373 4.373 4.373 . 0 0 "[ ]" 1
644 1 105 ALA HA 1 106 ASN H 0.000 . 4.000 2.424 2.424 2.424 . 0 0 "[ ]" 1
645 1 105 ALA H 1 106 ASN H 0.000 . 4.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
646 1 106 ASN H 1 107 GLN QG 0.000 . 7.000 5.568 5.568 5.568 . 0 0 "[ ]" 1
647 1 106 ASN H 1 107 GLN QE 0.000 . 7.000 3.146 3.146 3.146 . 0 0 "[ ]" 1
648 1 106 ASN QB 1 107 GLN H 0.000 . 7.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
649 1 106 ASN HA 1 107 GLN H 0.000 . 4.000 2.535 2.535 2.535 . 0 0 "[ ]" 1
650 1 106 ASN H 1 107 GLN H 0.000 . 6.000 4.451 4.451 4.451 . 0 0 "[ ]" 1
651 1 107 GLN QB 1 108 SER H 0.000 . 6.500 2.649 2.649 2.649 . 0 0 "[ ]" 1
652 1 107 GLN QG 1 108 SER H 0.000 . 7.000 2.997 2.997 2.997 . 0 0 "[ ]" 1
653 1 107 GLN HA 1 108 SER H 0.000 . 4.000 2.009 2.009 2.009 . 0 0 "[ ]" 1
654 1 107 GLN H 1 108 SER H 0.000 . 6.000 4.429 4.429 4.429 . 0 0 "[ ]" 1
655 1 108 SER HB3 1 109 THR H 0.000 . 5.000 4.149 4.149 4.149 . 0 0 "[ ]" 1
656 1 108 SER HB2 1 109 THR H 0.000 . 5.000 4.162 4.162 4.162 . 0 0 "[ ]" 1
657 1 108 SER HA 1 109 THR H 0.000 . 2.500 2.110 2.110 2.110 . 0 0 "[ ]" 1
658 1 108 SER H 1 109 THR H 0.000 . 6.000 4.313 4.313 4.313 . 0 0 "[ ]" 1
659 1 109 THR MG 1 110 LEU H 0.000 . 6.500 4.249 4.249 4.249 . 0 0 "[ ]" 1
660 1 109 THR HA 1 110 LEU H 0.000 . 2.500 2.190 2.190 2.190 . 0 0 "[ ]" 1
661 1 109 THR HB 1 110 LEU H 0.000 . 4.000 4.023 4.023 4.023 0.023 1 0 "[ ]" 1
662 1 110 LEU HB3 1 111 GLU H 0.000 . 5.000 2.287 2.287 2.287 . 0 0 "[ ]" 1
663 1 110 LEU HB2 1 111 GLU H 0.000 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
664 1 110 LEU HG 1 111 GLU H 0.000 . 5.000 3.611 3.611 3.611 . 0 0 "[ ]" 1
665 1 110 LEU MD1 1 111 GLU H 0.000 . 7.500 4.492 4.492 4.492 . 0 0 "[ ]" 1
666 1 110 LEU MD2 1 111 GLU H 0.000 . 7.500 4.167 4.167 4.167 . 0 0 "[ ]" 1
667 1 110 LEU H 1 111 GLU H 0.000 . 4.000 3.762 3.762 3.762 . 0 0 "[ ]" 1
668 1 111 GLU HB3 1 112 ASN H 0.000 . 5.000 2.201 2.201 2.201 . 0 0 "[ ]" 1
669 1 111 GLU HB2 1 112 ASN H 0.000 . 5.000 3.616 3.616 3.616 . 0 0 "[ ]" 1
670 1 111 GLU QG 1 112 ASN H 0.000 . 6.000 3.448 3.448 3.448 . 0 0 "[ ]" 1
671 1 111 GLU H 1 112 ASN HB3 0.000 . 6.000 5.235 5.235 5.235 . 0 0 "[ ]" 1
672 1 111 GLU H 1 112 ASN HB2 0.000 . 6.000 5.114 5.114 5.114 . 0 0 "[ ]" 1
673 1 111 GLU HA 1 112 ASN H 0.000 . 5.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
674 1 111 GLU H 1 112 ASN H 0.000 . 4.000 3.009 3.009 3.009 . 0 0 "[ ]" 1
675 1 112 ASN HB3 1 113 PHE H 0.000 . 5.000 2.143 2.143 2.143 . 0 0 "[ ]" 1
676 1 112 ASN HB2 1 113 PHE H 0.000 . 5.000 3.490 3.490 3.490 . 0 0 "[ ]" 1
677 1 112 ASN H 1 113 PHE QD 0.000 . 8.000 6.438 6.438 6.438 . 0 0 "[ ]" 1
678 1 112 ASN H 1 113 PHE HB3 0.000 . 6.000 4.925 4.925 4.925 . 0 0 "[ ]" 1
679 1 112 ASN H 1 113 PHE HB2 0.000 . 6.000 5.092 5.092 5.092 . 0 0 "[ ]" 1
680 1 112 ASN H 1 113 PHE H 0.000 . 3.000 2.866 2.866 2.866 . 0 0 "[ ]" 1
681 1 113 PHE HB3 1 114 LEU H 0.000 . 5.000 2.185 2.185 2.185 . 0 0 "[ ]" 1
682 1 113 PHE HB2 1 114 LEU H 0.000 . 5.000 3.573 3.573 3.573 . 0 0 "[ ]" 1
683 1 113 PHE QD 1 114 LEU H 0.000 . 7.000 3.342 3.342 3.342 . 0 0 "[ ]" 1
684 1 113 PHE HA 1 114 LEU H 0.000 . 5.000 3.508 3.508 3.508 . 0 0 "[ ]" 1
685 1 113 PHE H 1 114 LEU H 0.000 . 4.000 2.986 2.986 2.986 . 0 0 "[ ]" 1
686 1 114 LEU HA 1 115 GLU H 0.000 . 5.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
687 1 114 LEU H 1 115 GLU H 0.000 . 4.000 2.966 2.966 2.966 . 0 0 "[ ]" 1
688 1 114 LEU H 1 115 GLU QG 0.000 . 7.000 4.755 4.755 4.755 . 0 0 "[ ]" 1
689 1 115 GLU QG 1 116 ARG H 0.000 . 6.000 4.087 4.087 4.087 . 0 0 "[ ]" 1
690 1 115 GLU HA 1 116 ARG H 0.000 . 5.000 3.503 3.503 3.503 . 0 0 "[ ]" 1
691 1 115 GLU H 1 116 ARG H 0.000 . 3.000 3.085 3.085 3.085 0.085 1 0 "[ ]" 1
692 1 115 GLU H 1 116 ARG HE 0.000 . 7.000 6.623 6.623 6.623 . 0 0 "[ ]" 1
693 1 116 ARG HA 1 117 LEU H 0.000 . 5.000 3.532 3.532 3.532 . 0 0 "[ ]" 1
694 1 116 ARG H 1 117 LEU H 0.000 . 3.000 2.837 2.837 2.837 . 0 0 "[ ]" 1
695 1 116 ARG HE 1 117 LEU H 0.000 . 7.000 6.144 6.144 6.144 . 0 0 "[ ]" 1
696 1 117 LEU H 1 118 LYS HA 0.000 . 6.000 5.580 5.580 5.580 . 0 0 "[ ]" 1
697 1 117 LEU HA 1 118 LYS H 0.000 . 5.000 3.492 3.492 3.492 . 0 0 "[ ]" 1
698 1 117 LEU H 1 118 LYS H 0.000 . 3.000 2.961 2.961 2.961 . 0 0 "[ ]" 1
699 1 118 LYS HA 1 119 THR H 0.000 . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
700 1 118 LYS H 1 119 THR H 0.000 . 3.000 3.000 3.000 3.000 0.000 1 0 "[ ]" 1
701 1 119 THR HB 1 120 ILE H 0.000 . 5.000 2.313 2.313 2.313 . 0 0 "[ ]" 1
702 1 119 THR MG 1 120 ILE H 0.000 . 7.500 3.272 3.272 3.272 . 0 0 "[ ]" 1
703 1 119 THR H 1 120 ILE H 0.000 . 3.000 3.016 3.016 3.016 0.016 1 0 "[ ]" 1
704 1 120 ILE HB 1 121 MET H 0.000 . 4.000 2.206 2.206 2.206 . 0 0 "[ ]" 1
705 1 120 ILE HG13 1 121 MET H 0.000 . 6.000 4.367 4.367 4.367 . 0 0 "[ ]" 1
706 1 120 ILE HG12 1 121 MET H 0.000 . 6.000 4.745 4.745 4.745 . 0 0 "[ ]" 1
707 1 120 ILE MG 1 121 MET H 0.000 . 5.500 2.448 2.448 2.448 . 0 0 "[ ]" 1
708 1 120 ILE MD 1 121 MET H 0.000 . 6.500 4.075 4.075 4.075 . 0 0 "[ ]" 1
709 1 120 ILE H 1 121 MET HA 0.000 . 6.000 5.625 5.625 5.625 . 0 0 "[ ]" 1
710 1 120 ILE H 1 121 MET QG 0.000 . 7.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
711 1 120 ILE HA 1 121 MET H 0.000 . 5.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
712 1 120 ILE H 1 121 MET H 0.000 . 4.000 3.065 3.065 3.065 . 0 0 "[ ]" 1
713 1 121 MET HB3 1 122 ARG H 0.000 . 6.000 3.165 3.165 3.165 . 0 0 "[ ]" 1
714 1 121 MET HB2 1 122 ARG H 0.000 . 6.000 2.155 2.155 2.155 . 0 0 "[ ]" 1
715 1 121 MET HG3 1 122 ARG H 0.000 . 6.000 4.517 4.517 4.517 . 0 0 "[ ]" 1
716 1 121 MET HG2 1 122 ARG H 0.000 . 6.000 4.117 4.117 4.117 . 0 0 "[ ]" 1
717 1 121 MET H 1 122 ARG HA 0.000 . 6.000 5.598 5.598 5.598 . 0 0 "[ ]" 1
718 1 121 MET HA 1 122 ARG H 0.000 . 5.000 3.484 3.484 3.484 . 0 0 "[ ]" 1
719 1 121 MET H 1 122 ARG H 0.000 . 4.000 2.989 2.989 2.989 . 0 0 "[ ]" 1
720 1 122 ARG HA 1 123 GLU H 0.000 . 5.000 3.513 3.513 3.513 . 0 0 "[ ]" 1
721 1 122 ARG H 1 123 GLU H 0.000 . 3.000 2.947 2.947 2.947 . 0 0 "[ ]" 1
722 1 123 GLU H 1 124 LYS H 0.000 . 3.000 2.972 2.972 2.972 . 0 0 "[ ]" 1
723 1 124 LYS H 1 125 TYR HA 0.000 . 6.000 5.209 5.209 5.209 . 0 0 "[ ]" 1
724 1 124 LYS H 1 125 TYR HB3 0.000 . 6.000 4.655 4.655 4.655 . 0 0 "[ ]" 1
725 1 124 LYS H 1 125 TYR HB2 0.000 . 6.000 4.629 4.629 4.629 . 0 0 "[ ]" 1
726 1 124 LYS HA 1 125 TYR H 0.000 . 5.000 3.543 3.543 3.543 . 0 0 "[ ]" 1
727 1 124 LYS H 1 125 TYR H 0.000 . 4.000 2.601 2.601 2.601 . 0 0 "[ ]" 1
728 1 125 TYR QD 1 126 SER H 0.000 . 8.000 3.256 3.256 3.256 . 0 0 "[ ]" 1
729 1 125 TYR QB 1 126 SER H 0.000 . 6.000 2.116 2.116 2.116 . 0 0 "[ ]" 1
730 1 125 TYR HA 1 126 SER H 0.000 . 5.000 3.502 3.502 3.502 . 0 0 "[ ]" 1
731 1 125 TYR H 1 126 SER H 0.000 . 4.000 3.198 3.198 3.198 . 0 0 "[ ]" 1
732 1 126 SER QB 1 127 LYS H 0.000 . 6.000 3.851 3.851 3.851 . 0 0 "[ ]" 1
733 1 126 SER HA 1 127 LYS H 0.000 . 5.000 2.975 2.975 2.975 . 0 0 "[ ]" 1
734 1 126 SER H 1 127 LYS H 0.000 . 4.000 3.038 3.038 3.038 . 0 0 "[ ]" 1
735 1 127 LYS HA 1 128 CYS H 0.000 . 5.000 3.504 3.504 3.504 . 0 0 "[ ]" 1
736 1 127 LYS H 1 128 CYS H 0.000 . 4.000 2.052 2.052 2.052 . 0 0 "[ ]" 1
737 1 128 CYS QB 1 129 SER H 0.000 . 6.000 2.795 2.795 2.795 . 0 0 "[ ]" 1
738 1 128 CYS HA 1 129 SER H 0.000 . 4.000 3.410 3.410 3.410 . 0 0 "[ ]" 1
739 1 128 CYS H 1 129 SER H 0.000 . 4.000 2.389 2.389 2.389 . 0 0 "[ ]" 1
740 1 129 SER HA 1 130 SER H 0.000 . 4.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
741 1 129 SER H 1 130 SER H 0.000 . 5.000 3.115 3.115 3.115 . 0 0 "[ ]" 1
742 1 5 ASP HA 1 6 ILE MG 0.000 . 6.500 5.407 5.407 5.407 . 0 0 "[ ]" 1
743 1 6 ILE MG 1 7 THR HA 0.000 . 6.500 3.333 3.333 3.333 . 0 0 "[ ]" 1
744 1 11 ILE MG 1 12 ILE HA 0.000 . 4.500 2.850 2.850 2.850 . 0 0 "[ ]" 1
745 1 12 ILE MG 1 13 LYS HA 0.000 . 4.500 3.307 3.307 3.307 . 0 0 "[ ]" 1
746 1 28 LEU HA 1 29 THR MG 0.000 . 6.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
747 1 29 THR MG 1 30 VAL QG 0.000 . 9.400 4.465 4.465 4.465 . 0 0 "[ ]" 1
748 1 29 THR HB 1 30 VAL QG 0.000 . 7.900 4.350 4.350 4.350 . 0 0 "[ ]" 1
749 1 33 ILE MD 1 34 PHE HA 0.000 . 4.500 2.463 2.463 2.463 . 0 0 "[ ]" 1
750 1 33 ILE MD 1 34 PHE QB 0.000 . 5.500 3.643 3.643 3.643 . 0 0 "[ ]" 1
751 1 35 ALA MB 1 36 ALA HA 0.000 . 6.500 4.383 4.383 4.383 . 0 0 "[ ]" 1
752 1 35 ALA HA 1 36 ALA MB 0.000 . 6.500 4.608 4.608 4.608 . 0 0 "[ ]" 1
753 1 40 THR HA 1 41 THR MG 0.000 . 4.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
754 1 40 THR MG 1 41 THR HA 0.000 . 6.500 5.444 5.444 5.444 . 0 0 "[ ]" 1
755 1 57 TYR QD 1 58 SER HA 0.000 . 7.000 2.571 2.571 2.571 . 0 0 "[ ]" 1
756 1 45 THR MG 1 46 PHE QD 0.000 . 8.500 4.284 4.284 4.284 . 0 0 "[ ]" 1
757 1 63 ASP HA 1 64 THR MG 0.000 . 6.500 3.869 3.869 3.869 . 0 0 "[ ]" 1
758 1 68 GLY HA3 1 69 ALA MB 0.000 . 6.500 4.818 4.818 4.818 . 0 0 "[ ]" 1
759 1 68 GLY HA2 1 69 ALA MB 0.000 . 6.500 4.179 4.179 4.179 . 0 0 "[ ]" 1
760 1 69 ALA MB 1 70 THR MG 0.000 . 6.000 2.370 2.370 2.370 . 0 0 "[ ]" 1
761 1 94 LEU QD 1 95 ALA MB 0.000 . 9.400 4.224 4.224 4.224 . 0 0 "[ ]" 1
762 1 100 CYS HA 1 101 PRO HD3 0.000 . 5.000 2.244 2.244 2.244 . 0 0 "[ ]" 1
763 1 100 CYS HA 1 101 PRO HD2 0.000 . 5.000 2.463 2.463 2.463 . 0 0 "[ ]" 1
764 1 101 PRO HA 1 102 VAL MG1 0.000 . 6.500 3.775 3.775 3.775 . 0 0 "[ ]" 1
765 1 101 PRO HA 1 102 VAL MG2 0.000 . 6.500 5.470 5.470 5.470 . 0 0 "[ ]" 1
766 1 102 VAL QG 1 103 LYS HA 0.000 . 6.500 3.540 3.540 3.540 . 0 0 "[ ]" 1
767 1 104 GLU HA 1 105 ALA MB 0.000 . 6.500 3.852 3.852 3.852 . 0 0 "[ ]" 1
768 1 106 ASN HA 1 107 GLN QG 0.000 . 6.000 4.983 4.983 4.983 . 0 0 "[ ]" 1
769 1 107 GLN QG 1 108 SER HA 0.000 . 6.000 5.394 5.394 5.394 . 0 0 "[ ]" 1
770 1 107 GLN QB 1 108 SER HA 0.000 . 6.000 4.027 4.027 4.027 . 0 0 "[ ]" 1
771 1 108 SER HA 1 109 THR MG 0.000 . 6.500 3.873 3.873 3.873 . 0 0 "[ ]" 1
772 1 120 ILE MG 1 121 MET HA 0.000 . 4.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
773 1 120 ILE MG 1 121 MET QB 0.000 . 5.500 4.098 4.098 4.098 . 0 0 "[ ]" 1
774 1 120 ILE MG 1 121 MET ME 0.000 . 6.000 2.344 2.344 2.344 . 0 0 "[ ]" 1
775 1 5 ASP H 1 7 THR H 0.000 . 6.000 5.524 5.524 5.524 . 0 0 "[ ]" 1
776 1 5 ASP HA 1 8 LEU H 0.000 . 6.000 4.851 4.851 4.851 . 0 0 "[ ]" 1
777 1 5 ASP HA 1 9 GLN H 0.000 . 6.000 6.222 6.222 6.222 0.222 1 0 "[ ]" 1
778 1 5 ASP HA 1 7 THR H 0.000 . 5.000 3.936 3.936 3.936 . 0 0 "[ ]" 1
779 1 5 ASP H 1 8 LEU QD 0.000 . 7.900 3.570 3.570 3.570 . 0 0 "[ ]" 1
780 1 5 ASP HB3 1 7 THR H 0.000 . 5.000 4.059 4.059 4.059 . 0 0 "[ ]" 1
781 1 5 ASP HB2 1 7 THR H 0.000 . 5.000 5.102 5.102 5.102 0.102 1 0 "[ ]" 1
782 1 5 ASP HB3 1 8 LEU H 0.000 . 5.000 3.264 3.264 3.264 . 0 0 "[ ]" 1
783 1 5 ASP HB2 1 8 LEU H 0.000 . 5.000 4.927 4.927 4.927 . 0 0 "[ ]" 1
784 1 6 ILE HA 1 9 GLN H 0.000 . 4.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
785 1 6 ILE H 1 8 LEU H 0.000 . 6.000 4.651 4.651 4.651 . 0 0 "[ ]" 1
786 1 6 ILE H 1 9 GLN QB 0.000 . 6.000 5.524 5.524 5.524 . 0 0 "[ ]" 1
787 1 7 THR H 1 9 GLN H 0.000 . 5.000 4.810 4.810 4.810 . 0 0 "[ ]" 1
788 1 7 THR H 1 10 GLU H 0.000 . 6.000 5.309 5.309 5.309 . 0 0 "[ ]" 1
789 1 7 THR HA 1 11 ILE H 0.000 . 5.000 4.057 4.057 4.057 . 0 0 "[ ]" 1
790 1 7 THR MG 1 11 ILE H 0.000 . 6.500 3.961 3.961 3.961 . 0 0 "[ ]" 1
791 1 8 LEU HA 1 11 ILE H 0.000 . 4.000 3.710 3.710 3.710 . 0 0 "[ ]" 1
792 1 8 LEU HA 1 12 ILE H 0.000 . 5.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
793 1 8 LEU H 1 12 ILE MD 0.000 . 7.500 5.296 5.296 5.296 . 0 0 "[ ]" 1
794 1 8 LEU H 1 10 GLU H 0.000 . 5.000 4.456 4.456 4.456 . 0 0 "[ ]" 1
795 1 9 GLN HA 1 12 ILE H 0.000 . 4.000 4.030 4.030 4.030 0.030 1 0 "[ ]" 1
796 1 9 GLN HA 1 13 LYS H 0.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
797 1 9 GLN H 1 11 ILE H 0.000 . 5.000 4.557 4.557 4.557 . 0 0 "[ ]" 1
798 1 9 GLN H 1 12 ILE MD 0.000 . 6.500 3.560 3.560 3.560 . 0 0 "[ ]" 1
799 1 9 GLN HA 1 11 ILE H 0.000 . 5.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
800 1 10 GLU HA 1 12 ILE H 0.000 . 5.000 4.798 4.798 4.798 . 0 0 "[ ]" 1
801 1 10 GLU HA 1 13 LYS H 0.000 . 4.000 3.967 3.967 3.967 . 0 0 "[ ]" 1
802 1 10 GLU QB 1 12 ILE H 0.000 . 6.000 4.886 4.886 4.886 . 0 0 "[ ]" 1
803 1 11 ILE HA 1 13 LYS H 0.000 . 5.000 4.957 4.957 4.957 . 0 0 "[ ]" 1
804 1 11 ILE HA 1 14 THR H 0.000 . 4.000 3.658 3.658 3.658 . 0 0 "[ ]" 1
805 1 11 ILE HA 1 15 LEU H 0.000 . 5.000 3.937 3.937 3.937 . 0 0 "[ ]" 1
806 1 12 ILE HA 1 14 THR H 0.000 . 5.000 4.676 4.676 4.676 . 0 0 "[ ]" 1
807 1 12 ILE HA 1 15 LEU H 0.000 . 4.000 3.742 3.742 3.742 . 0 0 "[ ]" 1
808 1 12 ILE HA 1 16 ASN H 0.000 . 5.000 3.786 3.786 3.786 . 0 0 "[ ]" 1
809 1 12 ILE MD 1 15 LEU H 0.000 . 7.500 6.639 6.639 6.639 . 0 0 "[ ]" 1
810 1 13 LYS HA 1 16 ASN H 0.000 . 4.000 3.860 3.860 3.860 . 0 0 "[ ]" 1
811 1 13 LYS HA 1 17 SER H 0.000 . 5.000 4.232 4.232 4.232 . 0 0 "[ ]" 1
812 1 13 LYS H 1 15 LEU H 0.000 . 5.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
813 1 13 LYS H 1 16 ASN QB 0.000 . 6.000 4.336 4.336 4.336 . 0 0 "[ ]" 1
814 1 14 THR HA 1 16 ASN H 0.000 . 5.000 4.803 4.803 4.803 . 0 0 "[ ]" 1
815 1 14 THR H 1 16 ASN H 0.000 . 5.000 4.398 4.398 4.398 . 0 0 "[ ]" 1
816 1 14 THR H 1 16 ASN QB 0.000 . 6.000 4.307 4.307 4.307 . 0 0 "[ ]" 1
817 1 14 THR HB 1 16 ASN H 0.000 . 6.000 5.078 5.078 5.078 . 0 0 "[ ]" 1
818 1 15 LEU HA 1 17 SER H 0.000 . 5.000 4.560 4.560 4.560 . 0 0 "[ ]" 1
819 1 15 LEU HA 1 18 LEU H 0.000 . 4.000 4.056 4.056 4.056 0.056 1 0 "[ ]" 1
820 1 15 LEU H 1 17 SER H 0.000 . 5.000 4.438 4.438 4.438 . 0 0 "[ ]" 1
821 1 16 ASN HA 1 19 THR H 0.000 . 6.000 4.389 4.389 4.389 . 0 0 "[ ]" 1
822 1 16 ASN HA 1 18 LEU H 0.000 . 6.000 5.300 5.300 5.300 . 0 0 "[ ]" 1
823 1 16 ASN H 1 18 LEU H 0.000 . 5.000 4.990 4.990 4.990 . 0 0 "[ ]" 1
824 1 17 SER HA 1 19 THR H 0.000 . 5.000 4.439 4.439 4.439 . 0 0 "[ ]" 1
825 1 17 SER H 1 19 THR H 0.000 . 6.000 4.504 4.504 4.504 . 0 0 "[ ]" 1
826 1 17 SER H 1 20 GLU H 0.000 . 6.000 4.871 4.871 4.871 . 0 0 "[ ]" 1
827 1 18 LEU HA 1 20 GLU H 0.000 . 5.000 5.029 5.029 5.029 0.029 1 0 "[ ]" 1
828 1 18 LEU H 1 20 GLU H 0.000 . 5.000 4.604 4.604 4.604 . 0 0 "[ ]" 1
829 1 18 LEU HA 1 21 GLN H 0.000 . 6.000 4.373 4.373 4.373 . 0 0 "[ ]" 1
830 1 19 THR HA 1 21 GLN H 0.000 . 5.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
831 1 19 THR H 1 21 GLN H 0.000 . 6.000 4.285 4.285 4.285 . 0 0 "[ ]" 1
832 1 19 THR MG 1 21 GLN H 0.000 . 7.500 5.553 5.553 5.553 . 0 0 "[ ]" 1
833 1 20 GLU QB 1 22 LYS H 0.000 . 6.000 5.375 5.375 5.375 . 0 0 "[ ]" 1
834 1 25 CYS H 1 28 LEU MD1 0.000 . 6.500 5.084 5.084 5.084 . 0 0 "[ ]" 1
835 1 25 CYS H 1 28 LEU MD2 0.000 . 6.500 5.432 5.432 5.432 . 0 0 "[ ]" 1
836 1 25 CYS HA 1 28 LEU MD1 0.000 . 7.500 2.689 2.689 2.689 . 0 0 "[ ]" 1
837 1 25 CYS HA 1 28 LEU MD2 0.000 . 7.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
838 1 25 CYS HB3 1 28 LEU MD1 0.000 . 7.500 2.770 2.770 2.770 . 0 0 "[ ]" 1
839 1 25 CYS HB3 1 28 LEU MD2 0.000 . 7.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
840 1 25 CYS HB2 1 28 LEU MD1 0.000 . 7.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
841 1 25 CYS HB2 1 28 LEU MD2 0.000 . 7.500 5.517 5.517 5.517 . 0 0 "[ ]" 1
842 1 26 THR HA 1 28 LEU H 0.000 . 5.000 3.413 3.413 3.413 . 0 0 "[ ]" 1
843 1 26 THR HB 1 28 LEU H 0.000 . 5.000 5.116 5.116 5.116 0.116 1 0 "[ ]" 1
844 1 26 THR MG 1 28 LEU H 0.000 . 7.500 5.081 5.081 5.081 . 0 0 "[ ]" 1
845 1 28 LEU HA 1 30 VAL H 0.000 . 5.000 5.670 5.670 5.670 0.670 1 1 [+] 1
846 1 28 LEU QB 1 30 VAL H 0.000 . 6.000 5.287 5.287 5.287 . 0 0 "[ ]" 1
847 1 31 THR MG 1 33 ILE H 0.000 . 5.500 2.399 2.399 2.399 . 0 0 "[ ]" 1
848 1 31 THR MG 1 34 PHE H 0.000 . 6.500 4.812 4.812 4.812 . 0 0 "[ ]" 1
849 1 32 ASP HA 1 35 ALA H 0.000 . 5.000 4.679 4.679 4.679 . 0 0 "[ ]" 1
850 1 32 ASP HB3 1 35 ALA H 0.000 . 5.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
851 1 32 ASP HB2 1 35 ALA H 0.000 . 5.000 5.284 5.284 5.284 0.284 1 0 "[ ]" 1
852 1 32 ASP HA 1 34 PHE H 0.000 . 4.000 3.393 3.393 3.393 . 0 0 "[ ]" 1
853 1 33 ILE HB 1 35 ALA H 0.000 . 6.000 5.335 5.335 5.335 . 0 0 "[ ]" 1
854 1 33 ILE MD 1 35 ALA H 0.000 . 7.500 4.377 4.377 4.377 . 0 0 "[ ]" 1
855 1 33 ILE QG 1 35 ALA H 0.000 . 7.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
856 1 33 ILE HA 1 35 ALA H 0.000 . 5.000 3.812 3.812 3.812 . 0 0 "[ ]" 1
857 1 33 ILE HA 1 36 ALA H 0.000 . 5.000 4.044 4.044 4.044 . 0 0 "[ ]" 1
858 1 33 ILE HA 1 37 SER H 0.000 . 6.000 3.904 3.904 3.904 . 0 0 "[ ]" 1
859 1 33 ILE HA 1 38 LYS H 0.000 . 6.000 6.358 6.358 6.358 0.358 1 0 "[ ]" 1
860 1 33 ILE H 1 35 ALA H 0.000 . 5.000 4.628 4.628 4.628 . 0 0 "[ ]" 1
861 1 33 ILE MG 1 35 ALA H 0.000 . 7.500 5.320 5.320 5.320 . 0 0 "[ ]" 1
862 1 34 PHE H 1 36 ALA H 0.000 . 5.000 4.576 4.576 4.576 . 0 0 "[ ]" 1
863 1 34 PHE QD 1 36 ALA H 0.000 . 8.000 5.631 5.631 5.631 . 0 0 "[ ]" 1
864 1 34 PHE QD 1 37 SER H 0.000 . 8.000 5.808 5.808 5.808 . 0 0 "[ ]" 1
865 1 34 PHE QB 1 36 ALA H 0.000 . 7.000 4.553 4.553 4.553 . 0 0 "[ ]" 1
866 1 35 ALA MB 1 38 LYS H 0.000 . 6.500 5.560 5.560 5.560 . 0 0 "[ ]" 1
867 1 35 ALA H 1 37 SER H 0.000 . 6.000 4.496 4.496 4.496 . 0 0 "[ ]" 1
868 1 35 ALA HA 1 37 SER H 0.000 . 6.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
869 1 36 ALA HA 1 38 LYS H 0.000 . 5.000 3.420 3.420 3.420 . 0 0 "[ ]" 1
870 1 36 ALA HA 1 39 ASN H 0.000 . 5.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
871 1 36 ALA H 1 38 LYS H 0.000 . 6.000 2.842 2.842 2.842 . 0 0 "[ ]" 1
872 1 37 SER HA 1 39 ASN H 0.000 . 5.000 3.444 3.444 3.444 . 0 0 "[ ]" 1
873 1 37 SER HA 1 40 THR H 0.000 . 6.000 4.066 4.066 4.066 . 0 0 "[ ]" 1
874 1 37 SER QB 1 39 ASN H 0.000 . 7.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
875 1 37 SER H 1 39 ASN H 0.000 . 6.000 4.864 4.864 4.864 . 0 0 "[ ]" 1
876 1 38 LYS HA 1 40 THR H 0.000 . 6.000 3.683 3.683 3.683 . 0 0 "[ ]" 1
877 1 38 LYS H 1 40 THR H 0.000 . 6.000 4.383 4.383 4.383 . 0 0 "[ ]" 1
878 1 38 LYS QB 1 40 THR H 0.000 . 6.000 4.447 4.447 4.447 . 0 0 "[ ]" 1
879 1 40 THR MG 1 45 THR H 0.000 . 6.500 4.745 4.745 4.745 . 0 0 "[ ]" 1
880 1 41 THR HB 1 43 LYS H 0.000 . 4.000 3.055 3.055 3.055 . 0 0 "[ ]" 1
881 1 41 THR HB 1 44 GLU H 0.000 . 4.000 4.185 4.185 4.185 0.185 1 0 "[ ]" 1
882 1 41 THR H 1 44 GLU H 0.000 . 5.000 3.901 3.901 3.901 . 0 0 "[ ]" 1
883 1 41 THR H 1 43 LYS H 0.000 . 6.000 5.320 5.320 5.320 . 0 0 "[ ]" 1
884 1 41 THR HA 1 43 LYS H 0.000 . 5.000 4.583 4.583 4.583 . 0 0 "[ ]" 1
885 1 41 THR HA 1 44 GLU H 0.000 . 5.000 4.974 4.974 4.974 . 0 0 "[ ]" 1
886 1 41 THR MG 1 43 LYS H 0.000 . 6.500 4.674 4.674 4.674 . 0 0 "[ ]" 1
887 1 41 THR MG 1 44 GLU H 0.000 . 6.500 4.866 4.866 4.866 . 0 0 "[ ]" 1
888 1 41 THR MG 1 45 THR H 0.000 . 7.500 6.115 6.115 6.115 . 0 0 "[ ]" 1
889 1 41 THR H 1 44 GLU QB 0.000 . 5.000 3.248 3.248 3.248 . 0 0 "[ ]" 1
890 1 41 THR H 1 44 GLU QG 0.000 . 4.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
891 1 43 LYS HA 1 47 CYS H 0.000 . 5.000 4.539 4.539 4.539 . 0 0 "[ ]" 1
892 1 43 LYS HA 1 45 THR H 0.000 . 6.000 4.702 4.702 4.702 . 0 0 "[ ]" 1
893 1 43 LYS HA 1 46 PHE H 0.000 . 4.000 4.072 4.072 4.072 0.072 1 0 "[ ]" 1
894 1 43 LYS H 1 45 THR H 0.000 . 5.000 4.416 4.416 4.416 . 0 0 "[ ]" 1
895 1 43 LYS H 1 46 PHE H 0.000 . 5.000 4.862 4.862 4.862 . 0 0 "[ ]" 1
896 1 43 LYS H 1 46 PHE QD 0.000 . 8.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
897 1 43 LYS H 1 46 PHE QE 0.000 . 8.000 5.082 5.082 5.082 . 0 0 "[ ]" 1
898 1 44 GLU HA 1 46 PHE H 0.000 . 5.000 4.056 4.056 4.056 . 0 0 "[ ]" 1
899 1 44 GLU QB 1 46 PHE H 0.000 . 6.000 4.350 4.350 4.350 . 0 0 "[ ]" 1
900 1 44 GLU QG 1 46 PHE H 0.000 . 6.000 5.106 5.106 5.106 . 0 0 "[ ]" 1
901 1 44 GLU HA 1 47 CYS H 0.000 . 4.000 2.511 2.511 2.511 . 0 0 "[ ]" 1
902 1 44 GLU H 1 46 PHE H 0.000 . 5.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
903 1 45 THR HA 1 47 CYS H 0.000 . 6.000 4.427 4.427 4.427 . 0 0 "[ ]" 1
904 1 45 THR HB 1 47 CYS H 0.000 . 6.000 4.790 4.790 4.790 . 0 0 "[ ]" 1
905 1 45 THR HA 1 48 ARG H 0.000 . 5.000 4.206 4.206 4.206 . 0 0 "[ ]" 1
906 1 45 THR H 1 48 ARG H 0.000 . 6.000 4.993 4.993 4.993 . 0 0 "[ ]" 1
907 1 46 PHE H 1 48 ARG H 0.000 . 6.000 4.405 4.405 4.405 . 0 0 "[ ]" 1
908 1 46 PHE H 1 49 ALA H 0.000 . 5.000 4.465 4.465 4.465 . 0 0 "[ ]" 1
909 1 46 PHE HA 1 49 ALA H 0.000 . 5.000 3.314 3.314 3.314 . 0 0 "[ ]" 1
910 1 46 PHE QE 1 50 ALA H 0.000 . 7.000 6.228 6.228 6.228 . 0 0 "[ ]" 1
911 1 47 CYS HB3 1 49 ALA H 0.000 . 6.000 4.675 4.675 4.675 . 0 0 "[ ]" 1
912 1 47 CYS HB2 1 49 ALA H 0.000 . 6.000 5.447 5.447 5.447 . 0 0 "[ ]" 1
913 1 47 CYS H 1 49 ALA H 0.000 . 5.000 3.839 3.839 3.839 . 0 0 "[ ]" 1
914 1 48 ARG H 1 50 ALA H 0.000 . 6.000 4.441 4.441 4.441 . 0 0 "[ ]" 1
915 1 49 ALA H 1 51 THR H 0.000 . 5.000 4.579 4.579 4.579 . 0 0 "[ ]" 1
916 1 49 ALA HA 1 52 VAL H 0.000 . 5.000 3.974 3.974 3.974 . 0 0 "[ ]" 1
917 1 49 ALA HA 1 53 LEU H 0.000 . 5.000 3.989 3.989 3.989 . 0 0 "[ ]" 1
918 1 50 ALA HA 1 52 VAL H 0.000 . 5.000 4.879 4.879 4.879 . 0 0 "[ ]" 1
919 1 51 THR MG 1 53 LEU H 0.000 . 7.500 5.371 5.371 5.371 . 0 0 "[ ]" 1
920 1 53 LEU HA 1 56 PHE H 0.000 . 4.000 3.521 3.521 3.521 . 0 0 "[ ]" 1
921 1 53 LEU HA 1 57 TYR H 0.000 . 5.000 4.035 4.035 4.035 . 0 0 "[ ]" 1
922 1 55 GLN HA 1 57 TYR H 0.000 . 5.000 5.001 5.001 5.001 0.001 1 0 "[ ]" 1
923 1 56 PHE QD 1 60 HIS HD2 0.000 . 6.000 2.273 2.273 2.273 . 0 0 "[ ]" 1
924 1 56 PHE QE 1 60 HIS HD2 0.000 . 7.000 2.623 2.623 2.623 . 0 0 "[ ]" 1
925 1 56 PHE HZ 1 60 HIS HD2 0.000 . 6.000 4.311 4.311 4.311 . 0 0 "[ ]" 1
926 1 56 PHE HA 1 60 HIS HD2 0.000 . 4.000 3.068 3.068 3.068 . 0 0 "[ ]" 1
927 1 56 PHE HB3 1 60 HIS HD2 0.000 . 5.000 4.965 4.965 4.965 . 0 0 "[ ]" 1
928 1 56 PHE HB2 1 60 HIS HD2 0.000 . 5.000 4.933 4.933 4.933 . 0 0 "[ ]" 1
929 1 57 TYR HA 1 59 HIS H 0.000 . 6.000 4.544 4.544 4.544 . 0 0 "[ ]" 1
930 1 57 TYR HA 1 60 HIS H 0.000 . 5.000 3.862 3.862 3.862 . 0 0 "[ ]" 1
931 1 57 TYR HA 1 61 GLU H 0.000 . 5.000 4.529 4.529 4.529 . 0 0 "[ ]" 1
932 1 57 TYR H 1 59 HIS H 0.000 . 6.000 4.450 4.450 4.450 . 0 0 "[ ]" 1
933 1 58 SER HA 1 61 GLU H 0.000 . 5.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
934 1 59 HIS H 1 61 GLU H 0.000 . 5.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
935 1 60 HIS HA 1 64 THR H 0.000 . 6.000 5.389 5.389 5.389 . 0 0 "[ ]" 1
936 1 60 HIS HA 1 63 ASP H 0.000 . 5.000 3.726 3.726 3.726 . 0 0 "[ ]" 1
937 1 61 GLU H 1 63 ASP H 0.000 . 6.000 4.696 4.696 4.696 . 0 0 "[ ]" 1
938 1 63 ASP HA 1 65 ARG H 0.000 . 5.000 4.645 4.645 4.645 . 0 0 "[ ]" 1
939 1 63 ASP H 1 67 LEU QD 0.000 . 7.900 2.349 2.349 2.349 . 0 0 "[ ]" 1
940 1 64 THR HA 1 67 LEU H 0.000 . 4.000 3.306 3.306 3.306 . 0 0 "[ ]" 1
941 1 64 THR H 1 67 LEU QD 0.000 . 8.900 1.768 1.768 1.768 . 0 0 "[ ]" 1
942 1 65 ARG H 1 67 LEU H 0.000 . 5.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
943 1 65 ARG H 1 67 LEU QD 0.000 . 8.900 2.858 2.858 2.858 . 0 0 "[ ]" 1
944 1 68 GLY HA3 1 70 THR H 0.000 . 5.000 5.128 5.128 5.128 0.128 1 0 "[ ]" 1
945 1 68 GLY HA2 1 70 THR H 0.000 . 5.000 3.768 3.768 3.768 . 0 0 "[ ]" 1
946 1 69 ALA H 1 73 GLN HG3 0.000 . 5.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
947 1 69 ALA H 1 73 GLN HG2 0.000 . 5.000 5.131 5.131 5.131 0.131 1 0 "[ ]" 1
948 1 69 ALA MB 1 76 ARG H 0.000 . 7.500 6.455 6.455 6.455 . 0 0 "[ ]" 1
949 1 70 THR H 1 73 GLN H 0.000 . 5.000 3.990 3.990 3.990 . 0 0 "[ ]" 1
950 1 70 THR H 1 74 PHE H 0.000 . 6.000 3.429 3.429 3.429 . 0 0 "[ ]" 1
951 1 70 THR H 1 73 GLN HG3 0.000 . 5.000 4.258 4.258 4.258 . 0 0 "[ ]" 1
952 1 70 THR H 1 73 GLN HG2 0.000 . 5.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
953 1 70 THR MG 1 72 GLN H 0.000 . 6.500 2.034 2.034 2.034 . 0 0 "[ ]" 1
954 1 70 THR MG 1 73 GLN H 0.000 . 6.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
955 1 70 THR MG 1 73 GLN HE21 0.000 . 7.500 5.287 5.287 5.287 . 0 0 "[ ]" 1
956 1 70 THR MG 1 73 GLN HE22 0.000 . 7.500 5.839 5.839 5.839 . 0 0 "[ ]" 1
957 1 71 ALA MB 1 73 GLN H 0.000 . 6.500 4.659 4.659 4.659 . 0 0 "[ ]" 1
958 1 71 ALA MB 1 74 PHE H 0.000 . 6.500 4.838 4.838 4.838 . 0 0 "[ ]" 1
959 1 71 ALA MB 1 75 HIS H 0.000 . 7.500 4.885 4.885 4.885 . 0 0 "[ ]" 1
960 1 72 GLN HA 1 76 ARG H 0.000 . 6.000 4.255 4.255 4.255 . 0 0 "[ ]" 1
961 1 72 GLN QG 1 76 ARG H 0.000 . 7.000 4.159 4.159 4.159 . 0 0 "[ ]" 1
962 1 73 GLN HA 1 75 HIS H 0.000 . 5.000 4.703 4.703 4.703 . 0 0 "[ ]" 1
963 1 73 GLN HA 1 76 ARG H 0.000 . 4.000 3.277 3.277 3.277 . 0 0 "[ ]" 1
964 1 73 GLN HA 1 77 HIS H 0.000 . 5.000 3.727 3.727 3.727 . 0 0 "[ ]" 1
965 1 73 GLN H 1 75 HIS H 0.000 . 6.000 4.665 4.665 4.665 . 0 0 "[ ]" 1
966 1 73 GLN H 1 76 ARG H 0.000 . 6.000 4.709 4.709 4.709 . 0 0 "[ ]" 1
967 1 74 PHE QB 1 76 ARG H 0.000 . 7.000 4.547 4.547 4.547 . 0 0 "[ ]" 1
968 1 74 PHE HA 1 76 ARG H 0.000 . 6.000 4.634 4.634 4.634 . 0 0 "[ ]" 1
969 1 74 PHE H 1 76 ARG H 0.000 . 5.000 4.217 4.217 4.217 . 0 0 "[ ]" 1
970 1 75 HIS QB 1 79 GLN H 0.000 . 7.000 5.429 5.429 5.429 . 0 0 "[ ]" 1
971 1 75 HIS HA 1 77 HIS H 0.000 . 6.000 4.734 4.734 4.734 . 0 0 "[ ]" 1
972 1 75 HIS HA 1 78 LYS H 0.000 . 4.000 3.812 3.812 3.812 . 0 0 "[ ]" 1
973 1 75 HIS HA 1 79 GLN H 0.000 . 5.000 4.587 4.587 4.587 . 0 0 "[ ]" 1
974 1 76 ARG HA 1 78 LYS H 0.000 . 5.000 4.488 4.488 4.488 . 0 0 "[ ]" 1
975 1 76 ARG HA 1 79 GLN H 0.000 . 4.000 3.527 3.527 3.527 . 0 0 "[ ]" 1
976 1 76 ARG H 1 78 LYS H 0.000 . 6.000 4.338 4.338 4.338 . 0 0 "[ ]" 1
977 1 76 ARG H 1 79 GLN H 0.000 . 6.000 5.084 5.084 5.084 . 0 0 "[ ]" 1
978 1 77 HIS QB 1 79 GLN H 0.000 . 7.000 4.930 4.930 4.930 . 0 0 "[ ]" 1
979 1 77 HIS H 1 79 GLN H 0.000 . 5.000 4.420 4.420 4.420 . 0 0 "[ ]" 1
980 1 78 LYS HA 1 81 ILE H 0.000 . 4.000 3.691 3.691 3.691 . 0 0 "[ ]" 1
981 1 78 LYS HA 1 80 LEU H 0.000 . 6.000 4.674 4.674 4.674 . 0 0 "[ ]" 1
982 1 78 LYS HA 1 82 ARG H 0.000 . 5.000 4.355 4.355 4.355 . 0 0 "[ ]" 1
983 1 78 LYS H 1 80 LEU H 0.000 . 6.000 4.442 4.442 4.442 . 0 0 "[ ]" 1
984 1 79 GLN HA 1 81 ILE H 0.000 . 6.000 4.819 4.819 4.819 . 0 0 "[ ]" 1
985 1 79 GLN H 1 81 ILE H 0.000 . 5.000 4.648 4.648 4.648 . 0 0 "[ ]" 1
986 1 80 LEU HA 1 83 PHE H 0.000 . 4.000 3.688 3.688 3.688 . 0 0 "[ ]" 1
987 1 80 LEU HA 1 84 LEU H 0.000 . 5.000 3.910 3.910 3.910 . 0 0 "[ ]" 1
988 1 80 LEU H 1 83 PHE QD 0.000 . 8.000 5.326 5.326 5.326 . 0 0 "[ ]" 1
989 1 80 LEU H 1 83 PHE QB 0.000 . 6.000 4.920 4.920 4.920 . 0 0 "[ ]" 1
990 1 81 ILE HA 1 83 PHE H 0.000 . 5.000 4.837 4.837 4.837 . 0 0 "[ ]" 1
991 1 81 ILE HA 1 84 LEU H 0.000 . 4.000 3.593 3.593 3.593 . 0 0 "[ ]" 1
992 1 81 ILE HA 1 85 LYS H 0.000 . 6.000 4.000 4.000 4.000 . 0 0 "[ ]" 1
993 1 81 ILE H 1 83 PHE H 0.000 . 5.000 4.664 4.664 4.664 . 0 0 "[ ]" 1
994 1 82 ARG HA 1 84 LEU H 0.000 . 5.000 4.700 4.700 4.700 . 0 0 "[ ]" 1
995 1 82 ARG HA 1 85 LYS H 0.000 . 4.000 3.951 3.951 3.951 . 0 0 "[ ]" 1
996 1 82 ARG H 1 84 LEU H 0.000 . 5.000 4.342 4.342 4.342 . 0 0 "[ ]" 1
997 1 83 PHE QD 1 86 ARG H 0.000 . 7.000 4.842 4.842 4.842 . 0 0 "[ ]" 1
998 1 83 PHE HA 1 85 LYS H 0.000 . 6.000 4.739 4.739 4.739 . 0 0 "[ ]" 1
999 1 83 PHE HA 1 86 ARG H 0.000 . 5.000 3.605 3.605 3.605 . 0 0 "[ ]" 1
1000 1 83 PHE HA 1 87 LEU H 0.000 . 5.000 3.697 3.697 3.697 . 0 0 "[ ]" 1
1001 1 83 PHE H 1 85 LYS H 0.000 . 5.000 4.605 4.605 4.605 . 0 0 "[ ]" 1
1002 1 84 LEU H 1 86 ARG H 0.000 . 5.000 4.345 4.345 4.345 . 0 0 "[ ]" 1
1003 1 84 LEU HA 1 86 ARG H 0.000 . 5.000 4.836 4.836 4.836 . 0 0 "[ ]" 1
1004 1 85 LYS HA 1 87 LEU H 0.000 . 6.000 4.535 4.535 4.535 . 0 0 "[ ]" 1
1005 1 85 LYS HA 1 88 ASP H 0.000 . 4.000 3.612 3.612 3.612 . 0 0 "[ ]" 1
1006 1 85 LYS HA 1 89 ARG H 0.000 . 5.000 3.887 3.887 3.887 . 0 0 "[ ]" 1
1007 1 85 LYS H 1 87 LEU H 0.000 . 5.000 4.387 4.387 4.387 . 0 0 "[ ]" 1
1008 1 86 ARG HA 1 88 ASP H 0.000 . 5.000 5.000 5.000 5.000 . 1 0 "[ ]" 1
1009 1 86 ARG H 1 88 ASP H 0.000 . 5.000 4.498 4.498 4.498 . 0 0 "[ ]" 1
1010 1 87 LEU H 1 89 ARG H 0.000 . 6.000 4.402 4.402 4.402 . 0 0 "[ ]" 1
1011 1 88 ASP HA 1 91 LEU H 0.000 . 6.000 3.730 3.730 3.730 . 0 0 "[ ]" 1
1012 1 88 ASP H 1 90 ASN H 0.000 . 6.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
1013 1 89 ARG H 1 91 LEU H 0.000 . 6.000 4.296 4.296 4.296 . 0 0 "[ ]" 1
1014 1 90 ASN HA 1 93 GLY H 0.000 . 5.000 3.766 3.766 3.766 . 0 0 "[ ]" 1
1015 1 92 TRP HE3 1 94 LEU H 0.000 . 6.000 5.081 5.081 5.081 . 0 0 "[ ]" 1
1016 1 93 GLY QA 1 96 GLY H 0.000 . 7.000 3.932 3.932 3.932 . 0 0 "[ ]" 1
1017 1 93 GLY QA 1 95 ALA H 0.000 . 6.000 4.237 4.237 4.237 . 0 0 "[ ]" 1
1018 1 93 GLY H 1 95 ALA H 0.000 . 6.000 4.333 4.333 4.333 . 0 0 "[ ]" 1
1019 1 95 ALA HA 1 97 LEU H 0.000 . 6.000 4.037 4.037 4.037 . 0 0 "[ ]" 1
1020 1 95 ALA H 1 97 LEU H 0.000 . 6.000 5.239 5.239 5.239 . 0 0 "[ ]" 1
1021 1 97 LEU QB 1 99 SER H 0.000 . 5.000 3.581 3.581 3.581 . 0 0 "[ ]" 1
1022 1 97 LEU QD 1 99 SER H 0.000 . 7.900 3.615 3.615 3.615 . 0 0 "[ ]" 1
1023 1 97 LEU QD 1 100 CYS H 0.000 . 8.900 4.904 4.904 4.904 . 0 0 "[ ]" 1
1024 1 97 LEU HA 1 99 SER H 0.000 . 6.000 5.435 5.435 5.435 . 0 0 "[ ]" 1
1025 1 102 VAL QG 1 104 GLU H 0.000 . 7.900 3.150 3.150 3.150 . 0 0 "[ ]" 1
1026 1 102 VAL HA 1 104 GLU H 0.000 . 6.000 5.171 5.171 5.171 . 0 0 "[ ]" 1
1027 1 104 GLU QB 1 106 ASN H 0.000 . 6.000 3.597 3.597 3.597 . 0 0 "[ ]" 1
1028 1 104 GLU QG 1 106 ASN H 0.000 . 5.000 4.565 4.565 4.565 . 0 0 "[ ]" 1
1029 1 104 GLU HA 1 106 ASN H 0.000 . 5.000 4.394 4.394 4.394 . 0 0 "[ ]" 1
1030 1 105 ALA MB 1 107 GLN QE 0.000 . 7.500 5.035 5.035 5.035 . 0 0 "[ ]" 1
1031 1 107 GLN QB 1 109 THR H 0.000 . 7.000 4.868 4.868 4.868 . 0 0 "[ ]" 1
1032 1 107 GLN QG 1 109 THR H 0.000 . 7.000 6.307 6.307 6.307 . 0 0 "[ ]" 1
1033 1 108 SER HA 1 110 LEU H 0.000 . 5.000 5.114 5.114 5.114 0.114 1 0 "[ ]" 1
1034 1 109 THR MG 1 112 ASN H 0.000 . 7.500 5.043 5.043 5.043 . 0 0 "[ ]" 1
1035 1 109 THR MG 1 112 ASN QD 0.000 . 8.500 4.880 4.880 4.880 . 0 0 "[ ]" 1
1036 1 109 THR H 1 112 ASN HB3 0.000 . 5.000 3.036 3.036 3.036 . 0 0 "[ ]" 1
1037 1 109 THR H 1 112 ASN HB2 0.000 . 5.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
1038 1 109 THR HB 1 112 ASN H 0.000 . 6.000 4.190 4.190 4.190 . 0 0 "[ ]" 1
1039 1 109 THR HA 1 111 GLU H 0.000 . 6.000 4.542 4.542 4.542 . 0 0 "[ ]" 1
1040 1 109 THR H 1 112 ASN H 0.000 . 6.000 4.253 4.253 4.253 . 0 0 "[ ]" 1
1041 1 109 THR H 1 112 ASN QD 0.000 . 7.000 4.214 4.214 4.214 . 0 0 "[ ]" 1
1042 1 110 LEU MD1 1 114 LEU H 0.000 . 6.500 3.632 3.632 3.632 . 0 0 "[ ]" 1
1043 1 110 LEU MD2 1 114 LEU H 0.000 . 6.500 5.474 5.474 5.474 . 0 0 "[ ]" 1
1044 1 110 LEU HA 1 113 PHE H 0.000 . 5.000 3.522 3.522 3.522 . 0 0 "[ ]" 1
1045 1 111 GLU H 1 113 PHE QB 0.000 . 7.000 4.852 4.852 4.852 . 0 0 "[ ]" 1
1046 1 111 GLU HA 1 113 PHE H 0.000 . 6.000 5.038 5.038 5.038 . 0 0 "[ ]" 1
1047 1 111 GLU HA 1 114 LEU H 0.000 . 4.000 4.123 4.123 4.123 0.123 1 0 "[ ]" 1
1048 1 111 GLU H 1 113 PHE H 0.000 . 6.000 4.594 4.594 4.594 . 0 0 "[ ]" 1
1049 1 112 ASN HB3 1 115 GLU H 0.000 . 6.000 5.670 5.670 5.670 . 0 0 "[ ]" 1
1050 1 112 ASN HB2 1 115 GLU H 0.000 . 6.000 5.856 5.856 5.856 . 0 0 "[ ]" 1
1051 1 112 ASN HA 1 115 GLU H 0.000 . 5.000 3.603 3.603 3.603 . 0 0 "[ ]" 1
1052 1 112 ASN H 1 114 LEU H 0.000 . 5.000 4.347 4.347 4.347 . 0 0 "[ ]" 1
1053 1 113 PHE QB 1 116 ARG H 0.000 . 7.000 5.354 5.354 5.354 . 0 0 "[ ]" 1
1054 1 113 PHE QD 1 115 GLU H 0.000 . 8.000 5.811 5.811 5.811 . 0 0 "[ ]" 1
1055 1 113 PHE QD 1 117 LEU H 0.000 . 8.000 5.140 5.140 5.140 . 0 0 "[ ]" 1
1056 1 113 PHE HA 1 116 ARG H 0.000 . 5.000 4.052 4.052 4.052 . 0 0 "[ ]" 1
1057 1 113 PHE H 1 115 GLU H 0.000 . 6.000 4.585 4.585 4.585 . 0 0 "[ ]" 1
1058 1 114 LEU HA 1 117 LEU H 0.000 . 5.000 3.685 3.685 3.685 . 0 0 "[ ]" 1
1059 1 114 LEU HA 1 118 LYS H 0.000 . 5.000 3.788 3.788 3.788 . 0 0 "[ ]" 1
1060 1 114 LEU H 1 116 ARG H 0.000 . 6.000 4.443 4.443 4.443 . 0 0 "[ ]" 1
1061 1 115 GLU HA 1 118 LYS H 0.000 . 4.000 3.978 3.978 3.978 . 0 0 "[ ]" 1
1062 1 115 GLU H 1 118 LYS H 0.000 . 6.000 4.841 4.841 4.841 . 0 0 "[ ]" 1
1063 1 115 GLU HA 1 119 THR H 0.000 . 5.000 4.071 4.071 4.071 . 0 0 "[ ]" 1
1064 1 116 ARG HA 1 118 LYS H 0.000 . 5.000 4.639 4.639 4.639 . 0 0 "[ ]" 1
1065 1 116 ARG H 1 118 LYS H 0.000 . 6.000 4.304 4.304 4.304 . 0 0 "[ ]" 1
1066 1 117 LEU H 1 119 THR H 0.000 . 6.000 4.689 4.689 4.689 . 0 0 "[ ]" 1
1067 1 118 LYS HA 1 121 MET H 0.000 . 5.000 3.929 3.929 3.929 . 0 0 "[ ]" 1
1068 1 118 LYS HA 1 122 ARG H 0.000 . 6.000 4.147 4.147 4.147 . 0 0 "[ ]" 1
1069 1 118 LYS H 1 120 ILE H 0.000 . 6.000 4.425 4.425 4.425 . 0 0 "[ ]" 1
1070 1 119 THR HA 1 122 ARG H 0.000 . 5.000 3.864 3.864 3.864 . 0 0 "[ ]" 1
1071 1 119 THR H 1 121 MET H 0.000 . 5.000 4.748 4.748 4.748 . 0 0 "[ ]" 1
1072 1 120 ILE MD 1 122 ARG H 0.000 . 7.500 6.330 6.330 6.330 . 0 0 "[ ]" 1
1073 1 120 ILE HA 1 123 GLU H 0.000 . 5.000 3.787 3.787 3.787 . 0 0 "[ ]" 1
1074 1 120 ILE HA 1 124 LYS H 0.000 . 5.000 4.516 4.516 4.516 . 0 0 "[ ]" 1
1075 1 120 ILE H 1 122 ARG H 0.000 . 6.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
1076 1 121 MET HA 1 124 LYS H 0.000 . 5.000 4.150 4.150 4.150 . 0 0 "[ ]" 1
1077 1 121 MET HA 1 123 GLU H 0.000 . 6.000 4.919 4.919 4.919 . 0 0 "[ ]" 1
1078 1 121 MET H 1 123 GLU H 0.000 . 5.000 4.599 4.599 4.599 . 0 0 "[ ]" 1
1079 1 122 ARG HA 1 124 LYS H 0.000 . 6.000 4.395 4.395 4.395 . 0 0 "[ ]" 1
1080 1 122 ARG HA 1 125 TYR H 0.000 . 5.000 3.474 3.474 3.474 . 0 0 "[ ]" 1
1081 1 122 ARG H 1 124 LYS H 0.000 . 6.000 4.468 4.468 4.468 . 0 0 "[ ]" 1
1082 1 123 GLU H 1 125 TYR H 0.000 . 6.000 4.422 4.422 4.422 . 0 0 "[ ]" 1
1083 1 124 LYS H 1 126 SER H 0.000 . 5.000 4.513 4.513 4.513 . 0 0 "[ ]" 1
1084 1 124 LYS H 1 127 LYS H 0.000 . 6.000 5.565 5.565 5.565 . 0 0 "[ ]" 1
1085 1 125 TYR HA 1 128 CYS H 0.000 . 6.000 4.797 4.797 4.797 . 0 0 "[ ]" 1
1086 1 126 SER QB 1 128 CYS H 0.000 . 7.000 5.623 5.623 5.623 . 0 0 "[ ]" 1
1087 1 126 SER HA 1 128 CYS H 0.000 . 6.000 4.895 4.895 4.895 . 0 0 "[ ]" 1
1088 1 126 SER HA 1 129 SER H 0.000 . 6.000 4.152 4.152 4.152 . 0 0 "[ ]" 1
1089 1 126 SER H 1 128 CYS H 0.000 . 5.000 4.777 4.777 4.777 . 0 0 "[ ]" 1
1090 1 127 LYS HA 1 129 SER H 0.000 . 6.000 4.127 4.127 4.127 . 0 0 "[ ]" 1
1091 1 6 ILE MD 1 9 GLN QB 0.000 . 5.500 4.073 4.073 4.073 . 0 0 "[ ]" 1
1092 1 6 ILE MG 1 9 GLN QB 0.000 . 7.500 3.841 3.841 3.841 . 0 0 "[ ]" 1
1093 1 6 ILE HA 1 9 GLN QB 0.000 . 4.000 3.356 3.356 3.356 . 0 0 "[ ]" 1
1094 1 6 ILE HA 1 9 GLN QG 0.000 . 6.000 5.418 5.418 5.418 . 0 0 "[ ]" 1
1095 1 7 THR HB 1 11 ILE MD 0.000 . 4.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
1096 1 7 THR MG 1 11 ILE MD 0.000 . 6.000 1.955 1.955 1.955 . 0 0 "[ ]" 1
1097 1 7 THR HA 1 10 GLU QB 0.000 . 4.000 3.013 3.013 3.013 . 0 0 "[ ]" 1
1098 1 7 THR HA 1 10 GLU QG 0.000 . 6.000 4.269 4.269 4.269 . 0 0 "[ ]" 1
1099 1 8 LEU HA 1 11 ILE MD 0.000 . 4.500 2.776 2.776 2.776 . 0 0 "[ ]" 1
1100 1 8 LEU HA 1 11 ILE MG 0.000 . 6.500 2.978 2.978 2.978 . 0 0 "[ ]" 1
1101 1 8 LEU MD1 1 11 ILE MG 0.000 . 6.000 3.672 3.672 3.672 . 0 0 "[ ]" 1
1102 1 8 LEU MD1 1 11 ILE MD 0.000 . 6.000 3.953 3.953 3.953 . 0 0 "[ ]" 1
1103 1 8 LEU MD2 1 11 ILE MG 0.000 . 6.000 3.800 3.800 3.800 . 0 0 "[ ]" 1
1104 1 8 LEU MD2 1 11 ILE MD 0.000 . 6.000 2.778 2.778 2.778 . 0 0 "[ ]" 1
1105 1 8 LEU HA 1 11 ILE HB 0.000 . 3.000 2.310 2.310 2.310 . 0 0 "[ ]" 1
1106 1 9 GLN HA 1 12 ILE MD 0.000 . 4.500 2.283 2.283 2.283 . 0 0 "[ ]" 1
1107 1 9 GLN HA 1 12 ILE MG 0.000 . 4.500 3.750 3.750 3.750 . 0 0 "[ ]" 1
1108 1 9 GLN HA 1 12 ILE HB 0.000 . 3.000 2.883 2.883 2.883 . 0 0 "[ ]" 1
1109 1 9 GLN HA 1 12 ILE HG13 0.000 . 5.000 3.905 3.905 3.905 . 0 0 "[ ]" 1
1110 1 9 GLN HA 1 12 ILE HG12 0.000 . 5.000 4.936 4.936 4.936 . 0 0 "[ ]" 1
1111 1 10 GLU HA 1 13 LYS QB 0.000 . 4.000 3.211 3.211 3.211 . 0 0 "[ ]" 1
1112 1 11 ILE HA 1 14 THR HB 0.000 . 3.000 2.574 2.574 2.574 . 0 0 "[ ]" 1
1113 1 12 ILE HA 1 15 LEU MD1 0.000 . 4.500 3.261 3.261 3.261 . 0 0 "[ ]" 1
1114 1 12 ILE HA 1 15 LEU MD2 0.000 . 4.500 3.449 3.449 3.449 . 0 0 "[ ]" 1
1115 1 12 ILE HA 1 15 LEU QB 0.000 . 4.000 2.876 2.876 2.876 . 0 0 "[ ]" 1
1116 1 13 LYS HA 1 16 ASN QB 0.000 . 3.000 2.312 2.312 2.312 . 0 0 "[ ]" 1
1117 1 14 THR MG 1 18 LEU MD1 0.000 . 6.000 2.327 2.327 2.327 . 0 0 "[ ]" 1
1118 1 14 THR MG 1 18 LEU MD2 0.000 . 6.000 3.738 3.738 3.738 . 0 0 "[ ]" 1
1119 1 15 LEU HA 1 18 LEU QB 0.000 . 6.000 3.373 3.373 3.373 . 0 0 "[ ]" 1
1120 1 17 SER HA 1 20 GLU QB 0.000 . 6.000 2.401 2.401 2.401 . 0 0 "[ ]" 1
1121 1 17 SER HA 1 20 GLU QG 0.000 . 6.000 3.828 3.828 3.828 . 0 0 "[ ]" 1
1122 1 22 LYS HA 1 26 THR MG 0.000 . 4.500 3.414 3.414 3.414 . 0 0 "[ ]" 1
1123 1 31 THR MG 1 33 ILE MG 0.000 . 6.000 1.961 1.961 1.961 . 0 0 "[ ]" 1
1124 1 31 THR HB 1 33 ILE MG 0.000 . 4.500 3.069 3.069 3.069 . 0 0 "[ ]" 1
1125 1 31 THR MG 1 33 ILE HA 0.000 . 4.500 2.887 2.887 2.887 . 0 0 "[ ]" 1
1126 1 32 ASP QB 1 35 ALA MB 0.000 . 5.500 3.347 3.347 3.347 . 0 0 "[ ]" 1
1127 1 33 ILE HA 1 36 ALA MB 0.000 . 6.500 2.731 2.731 2.731 . 0 0 "[ ]" 1
1128 1 37 SER HA 1 40 THR MG 0.000 . 4.500 2.027 2.027 2.027 . 0 0 "[ ]" 1
1129 1 37 SER QB 1 40 THR MG 0.000 . 7.500 3.400 3.400 3.400 . 0 0 "[ ]" 1
1130 1 40 THR MG 1 44 GLU QG 0.000 . 5.500 4.246 4.246 4.246 . 0 0 "[ ]" 1
1131 1 42 GLU HA 1 45 THR HB 0.000 . 3.000 2.628 2.628 2.628 . 0 0 "[ ]" 1
1132 1 42 GLU HA 1 45 THR MG 0.000 . 4.500 3.658 3.658 3.658 . 0 0 "[ ]" 1
1133 1 43 LYS HA 1 46 PHE QB 0.000 . 6.000 2.666 2.666 2.666 . 0 0 "[ ]" 1
1134 1 43 LYS QG 1 46 PHE QB 0.000 . 7.000 5.115 5.115 5.115 . 0 0 "[ ]" 1
1135 1 44 GLU HA 1 47 CYS HB3 0.000 . 5.000 2.565 2.565 2.565 . 0 0 "[ ]" 1
1136 1 44 GLU HA 1 47 CYS HB2 0.000 . 5.000 2.072 2.072 2.072 . 0 0 "[ ]" 1
1137 1 45 THR MG 1 49 ALA MB 0.000 . 6.000 3.411 3.411 3.411 . 0 0 "[ ]" 1
1138 1 45 THR HA 1 48 ARG QD 0.000 . 6.000 4.951 4.951 4.951 . 0 0 "[ ]" 1
1139 1 45 THR HA 1 48 ARG QB 0.000 . 6.000 3.613 3.613 3.613 . 0 0 "[ ]" 1
1140 1 46 PHE HA 1 49 ALA MB 0.000 . 4.500 1.826 1.826 1.826 . 0 0 "[ ]" 1
1141 1 46 PHE QB 1 49 ALA MB 0.000 . 7.500 3.565 3.565 3.565 . 0 0 "[ ]" 1
1142 1 46 PHE QD 1 49 ALA MB 0.000 . 8.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
1143 1 48 ARG HA 1 51 THR MG 0.000 . 4.500 3.725 3.725 3.725 . 0 0 "[ ]" 1
1144 1 48 ARG HA 1 51 THR HB 0.000 . 3.000 2.561 2.561 2.561 . 0 0 "[ ]" 1
1145 1 49 ALA MB 1 52 VAL HB 0.000 . 4.500 4.166 4.166 4.166 . 0 0 "[ ]" 1
1146 1 49 ALA MB 1 52 VAL QG 0.000 . 9.400 4.179 4.179 4.179 . 0 0 "[ ]" 1
1147 1 49 ALA HA 1 52 VAL QG 0.000 . 5.900 3.234 3.234 3.234 . 0 0 "[ ]" 1
1148 1 49 ALA HA 1 52 VAL HB 0.000 . 3.000 2.700 2.700 2.700 . 0 0 "[ ]" 1
1149 1 51 THR MG 1 55 GLN QG 0.000 . 5.500 3.193 3.193 3.193 . 0 0 "[ ]" 1
1150 1 51 THR MG 1 55 GLN QB 0.000 . 7.500 4.732 4.732 4.732 . 0 0 "[ ]" 1
1151 1 52 VAL HA 1 55 GLN QB 0.000 . 6.000 3.468 3.468 3.468 . 0 0 "[ ]" 1
1152 1 52 VAL HA 1 55 GLN QG 0.000 . 6.000 3.437 3.437 3.437 . 0 0 "[ ]" 1
1153 1 53 LEU QD 1 57 TYR HA 0.000 . 5.900 4.447 4.447 4.447 . 0 0 "[ ]" 1
1154 1 53 LEU HA 1 56 PHE HB3 0.000 . 5.000 2.824 2.824 2.824 . 0 0 "[ ]" 1
1155 1 53 LEU HA 1 56 PHE HB2 0.000 . 5.000 2.645 2.645 2.645 . 0 0 "[ ]" 1
1156 1 55 GLN HA 1 58 SER QB 0.000 . 4.000 2.668 2.668 2.668 . 0 0 "[ ]" 1
1157 1 56 PHE HA 1 59 HIS QB 0.000 . 6.000 3.714 3.714 3.714 . 0 0 "[ ]" 1
1158 1 57 TYR QD 1 61 GLU QG 0.000 . 8.000 3.229 3.229 3.229 . 0 0 "[ ]" 1
1159 1 58 SER HA 1 61 GLU QG 0.000 . 6.000 2.681 2.681 2.681 . 0 0 "[ ]" 1
1160 1 60 HIS HA 1 63 ASP QB 0.000 . 4.000 1.978 1.978 1.978 . 0 0 "[ ]" 1
1161 1 61 GLU HA 1 64 THR MG 0.000 . 6.500 5.553 5.553 5.553 . 0 0 "[ ]" 1
1162 1 64 THR MG 1 67 LEU MD1 0.000 . 8.000 1.835 1.835 1.835 . 0 0 "[ ]" 1
1163 1 64 THR MG 1 67 LEU MD2 0.000 . 8.000 2.649 2.649 2.649 . 0 0 "[ ]" 1
1164 1 64 THR HA 1 67 LEU MD1 0.000 . 4.500 2.032 2.032 2.032 . 0 0 "[ ]" 1
1165 1 64 THR HA 1 67 LEU MD2 0.000 . 4.500 2.257 2.257 2.257 . 0 0 "[ ]" 1
1166 1 64 THR HB 1 67 LEU QD 0.000 . 5.900 2.806 2.806 2.806 . 0 0 "[ ]" 1
1167 1 64 THR HA 1 67 LEU QB 0.000 . 4.000 3.877 3.877 3.877 . 0 0 "[ ]" 1
1168 1 64 THR HB 1 67 LEU QB 0.000 . 6.000 5.536 5.536 5.536 . 0 0 "[ ]" 1
1169 1 64 THR HA 1 67 LEU HG 0.000 . 3.000 1.827 1.827 1.827 . 0 0 "[ ]" 1
1170 1 71 ALA MB 1 74 PHE HB3 0.000 . 6.500 4.219 4.219 4.219 . 0 0 "[ ]" 1
1171 1 71 ALA MB 1 74 PHE HB2 0.000 . 6.500 4.808 4.808 4.808 . 0 0 "[ ]" 1
1172 1 71 ALA HA 1 74 PHE HB3 0.000 . 5.000 2.844 2.844 2.844 . 0 0 "[ ]" 1
1173 1 71 ALA HA 1 74 PHE HB2 0.000 . 5.000 3.221 3.221 3.221 . 0 0 "[ ]" 1
1174 1 72 GLN HA 1 75 HIS QB 0.000 . 4.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
1175 1 75 HIS HA 1 78 LYS QB 0.000 . 6.000 2.943 2.943 2.943 . 0 0 "[ ]" 1
1176 1 80 LEU QD 1 83 PHE HB3 0.000 . 7.900 5.155 5.155 5.155 . 0 0 "[ ]" 1
1177 1 80 LEU QD 1 83 PHE HB2 0.000 . 7.900 4.168 4.168 4.168 . 0 0 "[ ]" 1
1178 1 81 ILE MD 1 84 LEU QD 0.000 . 7.400 2.284 2.284 2.284 . 0 0 "[ ]" 1
1179 1 81 ILE HA 1 84 LEU QD 0.000 . 5.900 2.193 2.193 2.193 . 0 0 "[ ]" 1
1180 1 81 ILE HA 1 84 LEU HG 0.000 . 5.000 3.115 3.115 3.115 . 0 0 "[ ]" 1
1181 1 83 PHE HA 1 86 ARG QD 0.000 . 6.000 3.144 3.144 3.144 . 0 0 "[ ]" 1
1182 1 83 PHE HA 1 86 ARG QB 0.000 . 4.000 2.108 2.108 2.108 . 0 0 "[ ]" 1
1183 1 83 PHE HA 1 86 ARG HA 0.000 . 5.000 4.998 4.998 4.998 . 0 0 "[ ]" 1
1184 1 84 LEU HA 1 87 LEU QB 0.000 . 4.000 3.478 3.478 3.478 . 0 0 "[ ]" 1
1185 1 84 LEU HA 1 87 LEU QD 0.000 . 5.900 2.119 2.119 2.119 . 0 0 "[ ]" 1
1186 1 85 LYS HA 1 88 ASP QB 0.000 . 4.000 2.384 2.384 2.384 . 0 0 "[ ]" 1
1187 1 86 ARG HA 1 89 ARG QD 0.000 . 6.000 4.483 4.483 4.483 . 0 0 "[ ]" 1
1188 1 87 LEU QD 1 90 ASN QB 0.000 . 8.900 4.284 4.284 4.284 . 0 0 "[ ]" 1
1189 1 87 LEU QD 1 91 LEU QD 0.000 . 8.900 2.284 2.284 2.284 . 0 0 "[ ]" 1
1190 1 87 LEU HA 1 90 ASN QB 0.000 . 6.000 2.817 2.817 2.817 . 0 0 "[ ]" 1
1191 1 88 ASP HA 1 91 LEU MD1 0.000 . 4.500 3.213 3.213 3.213 . 0 0 "[ ]" 1
1192 1 88 ASP HA 1 91 LEU MD2 0.000 . 4.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
1193 1 88 ASP HA 1 91 LEU QB 0.000 . 6.000 2.396 2.396 2.396 . 0 0 "[ ]" 1
1194 1 91 LEU QD 1 94 LEU MD1 0.000 . 7.400 3.558 3.558 3.558 . 0 0 "[ ]" 1
1195 1 91 LEU QD 1 94 LEU MD2 0.000 . 7.400 4.264 4.264 4.264 . 0 0 "[ ]" 1
1196 1 91 LEU QD 1 95 ALA MB 0.000 . 9.400 2.796 2.796 2.796 . 0 0 "[ ]" 1
1197 1 91 LEU HA 1 94 LEU MD1 0.000 . 6.500 1.906 1.906 1.906 . 0 0 "[ ]" 1
1198 1 91 LEU HA 1 94 LEU MD2 0.000 . 6.500 3.798 3.798 3.798 . 0 0 "[ ]" 1
1199 1 92 TRP HA 1 95 ALA MB 0.000 . 4.500 2.411 2.411 2.411 . 0 0 "[ ]" 1
1200 1 92 TRP QB 1 95 ALA MB 0.000 . 5.500 4.139 4.139 4.139 . 0 0 "[ ]" 1
1201 1 95 ALA MB 1 97 LEU QD 0.000 . 7.400 1.802 1.802 1.802 . 0 0 "[ ]" 1
1202 1 110 LEU MD1 1 114 LEU HG 0.000 . 6.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
1203 1 110 LEU MD1 1 114 LEU MD1 0.000 . 8.000 2.925 2.925 2.925 . 0 0 "[ ]" 1
1204 1 110 LEU MD1 1 114 LEU MD2 0.000 . 8.000 2.457 2.457 2.457 . 0 0 "[ ]" 1
1205 1 110 LEU MD2 1 114 LEU HG 0.000 . 6.500 4.041 4.041 4.041 . 0 0 "[ ]" 1
1206 1 110 LEU MD2 1 114 LEU MD1 0.000 . 8.000 2.724 2.724 2.724 . 0 0 "[ ]" 1
1207 1 110 LEU MD2 1 114 LEU MD2 0.000 . 8.000 3.520 3.520 3.520 . 0 0 "[ ]" 1
1208 1 110 LEU QD 1 113 PHE HB3 0.000 . 7.900 2.558 2.558 2.558 . 0 0 "[ ]" 1
1209 1 110 LEU QD 1 113 PHE HB2 0.000 . 7.900 3.634 3.634 3.634 . 0 0 "[ ]" 1
1210 1 110 LEU HA 1 113 PHE HB3 0.000 . 5.000 2.437 2.437 2.437 . 0 0 "[ ]" 1
1211 1 110 LEU HA 1 113 PHE HB2 0.000 . 5.000 3.042 3.042 3.042 . 0 0 "[ ]" 1
1212 1 111 GLU HA 1 114 LEU QD 0.000 . 5.900 2.434 2.434 2.434 . 0 0 "[ ]" 1
1213 1 112 ASN HA 1 115 GLU QB 0.000 . 4.000 2.374 2.374 2.374 . 0 0 "[ ]" 1
1214 1 112 ASN HA 1 115 GLU QG 0.000 . 4.000 2.830 2.830 2.830 . 0 0 "[ ]" 1
1215 1 113 PHE HA 1 116 ARG QB 0.000 . 6.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
1216 1 113 PHE HA 1 116 ARG QG 0.000 . 6.000 3.610 3.610 3.610 . 0 0 "[ ]" 1
1217 1 114 LEU HA 1 117 LEU QB 0.000 . 6.000 2.542 2.542 2.542 . 0 0 "[ ]" 1
1218 1 114 LEU HA 1 117 LEU QD 0.000 . 5.900 3.228 3.228 3.228 . 0 0 "[ ]" 1
1219 1 115 GLU HA 1 118 LYS QB 0.000 . 4.000 2.886 2.886 2.886 . 0 0 "[ ]" 1
1220 1 116 ARG HA 1 119 THR HB 0.000 . 3.000 2.806 2.806 2.806 . 0 0 "[ ]" 1
1221 1 117 LEU QD 1 120 ILE MD 0.000 . 7.400 2.977 2.977 2.977 . 0 0 "[ ]" 1
1222 1 117 LEU HA 1 120 ILE MD 0.000 . 6.500 2.223 2.223 2.223 . 0 0 "[ ]" 1
1223 1 117 LEU QD 1 120 ILE MG 0.000 . 7.400 3.877 3.877 3.877 . 0 0 "[ ]" 1
1224 1 117 LEU HA 1 120 ILE MG 0.000 . 6.500 3.817 3.817 3.817 . 0 0 "[ ]" 1
1225 1 117 LEU QD 1 121 MET HG3 0.000 . 7.900 4.233 4.233 4.233 . 0 0 "[ ]" 1
1226 1 117 LEU QD 1 121 MET HG2 0.000 . 7.900 4.065 4.065 4.065 . 0 0 "[ ]" 1
1227 1 117 LEU HA 1 120 ILE HB 0.000 . 3.000 2.847 2.847 2.847 . 0 0 "[ ]" 1
1228 1 117 LEU QD 1 120 ILE HB 0.000 . 7.900 4.047 4.047 4.047 . 0 0 "[ ]" 1
1229 1 117 LEU QD 1 121 MET ME 0.000 . 7.400 3.102 3.102 3.102 . 0 0 "[ ]" 1
1230 1 119 THR HA 1 122 ARG QB 0.000 . 4.000 2.631 2.631 2.631 . 0 0 "[ ]" 1
1231 1 119 THR HA 1 122 ARG QG 0.000 . 6.000 4.555 4.555 4.555 . 0 0 "[ ]" 1
1232 1 119 THR HA 1 122 ARG QD 0.000 . 6.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
1233 1 120 ILE HA 1 123 GLU QB 0.000 . 4.000 2.707 2.707 2.707 . 0 0 "[ ]" 1
1234 1 120 ILE HA 1 123 GLU QG 0.000 . 6.000 4.091 4.091 4.091 . 0 0 "[ ]" 1
1235 1 122 ARG HA 1 125 TYR HB3 0.000 . 3.000 2.178 2.178 2.178 . 0 0 "[ ]" 1
1236 1 122 ARG HA 1 125 TYR HB2 0.000 . 3.000 2.593 2.593 2.593 . 0 0 "[ ]" 1
1237 1 124 LYS HA 1 127 LYS QB 0.000 . 4.000 2.512 2.512 2.512 . 0 0 "[ ]" 1
1238 1 30 VAL H 1 108 SER H 0.000 . 5.000 3.104 3.104 3.104 . 0 0 "[ ]" 1
1239 1 32 ASP H 1 108 SER H 0.000 . 5.000 3.712 3.712 3.712 . 0 0 "[ ]" 1
1240 1 32 ASP H 1 107 GLN HA 0.000 . 3.000 2.775 2.775 2.775 . 0 0 "[ ]" 1
1241 1 32 ASP H 1 107 GLN QB 0.000 . 6.000 4.914 4.914 4.914 . 0 0 "[ ]" 1
1242 1 32 ASP H 1 107 GLN QE 0.000 . 7.000 3.541 3.541 3.541 . 0 0 "[ ]" 1
1243 1 32 ASP H 1 106 ASN QB 0.000 . 7.000 4.094 4.094 4.094 . 0 0 "[ ]" 1
1244 1 32 ASP H 1 105 ALA MB 0.000 . 6.500 4.121 4.121 4.121 . 0 0 "[ ]" 1
1245 1 30 VAL QG 1 108 SER H 0.000 . 8.900 3.337 3.337 3.337 . 0 0 "[ ]" 1
1246 1 29 THR MG 1 108 SER H 0.000 . 7.500 4.728 4.728 4.728 . 0 0 "[ ]" 1
1247 1 30 VAL H 1 109 THR HA 0.000 . 5.000 3.564 3.564 3.564 . 0 0 "[ ]" 1
1248 1 29 THR MG 1 109 THR H 0.000 . 7.500 4.152 4.152 4.152 . 0 0 "[ ]" 1
1249 1 30 VAL H 1 110 LEU H 0.000 . 5.000 3.268 3.268 3.268 . 0 0 "[ ]" 1
1250 1 29 THR HA 1 110 LEU H 0.000 . 5.000 3.107 3.107 3.107 . 0 0 "[ ]" 1
1251 1 29 THR HB 1 110 LEU H 0.000 . 5.000 5.266 5.266 5.266 0.266 1 0 "[ ]" 1
1252 1 29 THR MG 1 110 LEU H 0.000 . 6.500 4.490 4.490 4.490 . 0 0 "[ ]" 1
1253 1 31 THR MG 1 105 ALA H 0.000 . 6.500 1.763 1.763 1.763 . 0 0 "[ ]" 1
1254 1 31 THR MG 1 104 GLU H 0.000 . 7.500 3.729 3.729 3.729 . 0 0 "[ ]" 1
1255 1 31 THR MG 1 106 ASN H 0.000 . 6.500 4.244 4.244 4.244 . 0 0 "[ ]" 1
1256 1 30 VAL QG 1 110 LEU H 0.000 . 7.900 2.790 2.790 2.790 . 0 0 "[ ]" 1
1257 1 12 ILE MD 1 121 MET H 0.000 . 7.500 5.849 5.849 5.849 . 0 0 "[ ]" 1
1258 1 12 ILE QG 1 121 MET H 0.000 . 7.000 5.296 5.296 5.296 . 0 0 "[ ]" 1
1259 1 11 ILE MG 1 121 MET H 0.000 . 7.500 4.803 4.803 4.803 . 0 0 "[ ]" 1
1260 1 12 ILE MD 1 122 ARG H 0.000 . 7.500 4.054 4.054 4.054 . 0 0 "[ ]" 1
1261 1 12 ILE MD 1 125 TYR H 0.000 . 7.500 4.041 4.041 4.041 . 0 0 "[ ]" 1
1262 1 56 PHE QD 1 110 LEU MD1 0.000 . 9.500 2.472 2.472 2.472 . 0 0 "[ ]" 1
1263 1 56 PHE QE 1 110 LEU MD1 0.000 . 9.500 2.270 2.270 2.270 . 0 0 "[ ]" 1
1264 1 56 PHE QD 1 110 LEU MD2 0.000 . 9.500 3.491 3.491 3.491 . 0 0 "[ ]" 1
1265 1 56 PHE QE 1 110 LEU MD2 0.000 . 9.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
1266 1 56 PHE HZ 1 110 LEU MD1 0.000 . 7.500 3.764 3.764 3.764 . 0 0 "[ ]" 1
1267 1 56 PHE HZ 1 110 LEU MD2 0.000 . 7.500 2.487 2.487 2.487 . 0 0 "[ ]" 1
1268 1 57 TYR QE 1 110 LEU QD 0.000 . 10.900 7.220 7.220 7.220 . 0 0 "[ ]" 1
1269 1 110 LEU QD 1 113 PHE QD 0.000 . 10.900 2.623 2.623 2.623 . 0 0 "[ ]" 1
1270 1 46 PHE QD 1 94 LEU MD1 0.000 . 9.500 4.989 4.989 4.989 . 0 0 "[ ]" 1
1271 1 46 PHE QD 1 94 LEU MD2 0.000 . 9.500 4.914 4.914 4.914 . 0 0 "[ ]" 1
1272 1 46 PHE QE 1 94 LEU MD1 0.000 . 9.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
1273 1 46 PHE QE 1 94 LEU MD2 0.000 . 9.500 4.049 4.049 4.049 . 0 0 "[ ]" 1
1274 1 12 ILE MD 1 125 TYR QD 0.000 . 8.500 2.603 2.603 2.603 . 0 0 "[ ]" 1
1275 1 12 ILE MD 1 125 TYR QE 0.000 . 9.500 3.156 3.156 3.156 . 0 0 "[ ]" 1
1276 1 28 LEU MD1 1 56 PHE QE 0.000 . 8.500 2.472 2.472 2.472 . 0 0 "[ ]" 1
1277 1 28 LEU MD2 1 56 PHE QE 0.000 . 8.500 4.972 4.972 4.972 . 0 0 "[ ]" 1
1278 1 28 LEU MD1 1 56 PHE HZ 0.000 . 6.500 3.079 3.079 3.079 . 0 0 "[ ]" 1
1279 1 28 LEU MD2 1 56 PHE HZ 0.000 . 6.500 4.875 4.875 4.875 . 0 0 "[ ]" 1
1280 1 34 PHE QD 1 120 ILE MD 0.000 . 8.500 3.783 3.783 3.783 . 0 0 "[ ]" 1
1281 1 34 PHE QE 1 120 ILE MD 0.000 . 8.500 2.827 2.827 2.827 . 0 0 "[ ]" 1
1282 1 34 PHE HZ 1 120 ILE MD 0.000 . 7.500 3.540 3.540 3.540 . 0 0 "[ ]" 1
1283 1 30 VAL MG1 1 108 SER HA 0.000 . 7.500 6.401 6.401 6.401 . 0 0 "[ ]" 1
1284 1 30 VAL MG2 1 108 SER HA 0.000 . 7.500 4.674 4.674 4.674 . 0 0 "[ ]" 1
1285 1 9 GLN H 1 125 TYR QE 0.000 . 8.000 3.088 3.088 3.088 . 0 0 "[ ]" 1
1286 1 9 GLN H 1 125 TYR QD 0.000 . 8.000 3.518 3.518 3.518 . 0 0 "[ ]" 1
1287 1 28 LEU H 1 110 LEU QD 0.000 . 8.900 4.341 4.341 4.341 . 0 0 "[ ]" 1
1288 1 28 LEU H 1 110 LEU QB 0.000 . 6.000 3.452 3.452 3.452 . 0 0 "[ ]" 1
1289 1 30 VAL H 1 108 SER QB 0.000 . 7.000 3.784 3.784 3.784 . 0 0 "[ ]" 1
1290 1 33 ILE H 1 113 PHE QD 0.000 . 6.000 4.418 4.418 4.418 . 0 0 "[ ]" 1
1291 1 35 ALA H 1 106 ASN QB 0.000 . 7.000 4.940 4.940 4.940 . 0 0 "[ ]" 1
1292 1 43 LYS H 1 97 LEU QD 0.000 . 8.900 4.760 4.760 4.760 . 0 0 "[ ]" 1
1293 1 43 LYS H 1 95 ALA HA 0.000 . 6.000 4.681 4.681 4.681 . 0 0 "[ ]" 1
1294 1 44 GLU H 1 97 LEU QD 0.000 . 7.900 3.239 3.239 3.239 . 0 0 "[ ]" 1
1295 1 45 THR H 1 97 LEU QD 0.000 . 8.900 4.355 4.355 4.355 . 0 0 "[ ]" 1
1296 1 46 PHE H 1 95 ALA HA 0.000 . 5.000 4.661 4.661 4.661 . 0 0 "[ ]" 1
1297 1 46 PHE H 1 97 LEU QD 0.000 . 8.900 4.142 4.142 4.142 . 0 0 "[ ]" 1
1298 1 47 CYS H 1 95 ALA HA 0.000 . 6.000 4.850 4.850 4.850 . 0 0 "[ ]" 1
1299 1 47 CYS H 1 97 LEU QD 0.000 . 7.900 2.630 2.630 2.630 . 0 0 "[ ]" 1
1300 1 47 CYS H 1 97 LEU QB 0.000 . 7.000 5.587 5.587 5.587 . 0 0 "[ ]" 1
1301 1 30 VAL MG1 1 56 PHE H 0.000 . 7.500 4.859 4.859 4.859 . 0 0 "[ ]" 1
1302 1 30 VAL MG2 1 56 PHE H 0.000 . 7.500 6.130 6.130 6.130 . 0 0 "[ ]" 1
1303 1 30 VAL QG 1 57 TYR H 0.000 . 7.900 5.710 5.710 5.710 . 0 0 "[ ]" 1
1304 1 60 HIS HD2 1 110 LEU MD1 0.000 . 7.500 6.072 6.072 6.072 . 0 0 "[ ]" 1
1305 1 60 HIS HD2 1 110 LEU MD2 0.000 . 7.500 5.254 5.254 5.254 . 0 0 "[ ]" 1
1306 1 28 LEU MD1 1 60 HIS HD2 0.000 . 6.500 3.197 3.197 3.197 . 0 0 "[ ]" 1
1307 1 28 LEU MD2 1 60 HIS HD2 0.000 . 6.500 5.400 5.400 5.400 . 0 0 "[ ]" 1
1308 1 24 LEU QD 1 68 GLY H 0.000 . 7.900 5.269 5.269 5.269 . 0 0 "[ ]" 1
1309 1 24 LEU QD 1 69 ALA H 0.000 . 7.900 5.177 5.177 5.177 . 0 0 "[ ]" 1
1310 1 24 LEU QD 1 73 GLN HE21 0.000 . 7.900 2.619 2.619 2.619 . 0 0 "[ ]" 1
1311 1 24 LEU QD 1 73 GLN HE22 0.000 . 7.900 2.729 2.729 2.729 . 0 0 "[ ]" 1
1312 1 70 THR MG 1 76 ARG H 0.000 . 7.500 6.316 6.316 6.316 . 0 0 "[ ]" 1
1313 1 57 TYR QD 1 84 LEU H 0.000 . 8.000 5.696 5.696 5.696 . 0 0 "[ ]" 1
1314 1 57 TYR QD 1 85 LYS H 0.000 . 7.000 3.796 3.796 3.796 . 0 0 "[ ]" 1
1315 1 57 TYR QE 1 85 LYS H 0.000 . 8.000 4.753 4.753 4.753 . 0 0 "[ ]" 1
1316 1 57 TYR QE 1 88 ASP H 0.000 . 7.000 5.042 5.042 5.042 . 0 0 "[ ]" 1
1317 1 57 TYR QB 1 88 ASP H 0.000 . 7.000 6.146 6.146 6.146 . 0 0 "[ ]" 1
1318 1 57 TYR QE 1 89 ARG H 0.000 . 8.000 4.916 4.916 4.916 . 0 0 "[ ]" 1
1319 1 46 PHE QD 1 95 ALA H 0.000 . 8.000 4.596 4.596 4.596 . 0 0 "[ ]" 1
1320 1 31 THR HA 1 106 ASN H 0.000 . 6.000 5.048 5.048 5.048 . 0 0 "[ ]" 1
1321 1 31 THR HA 1 107 GLN QE 0.000 . 6.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
1322 1 31 THR MG 1 107 GLN QE 0.000 . 7.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
1323 1 31 THR HA 1 108 SER H 0.000 . 6.000 3.841 3.841 3.841 . 0 0 "[ ]" 1
1324 1 29 THR HB 1 108 SER H 0.000 . 6.000 3.577 3.577 3.577 . 0 0 "[ ]" 1
1325 1 30 VAL QG 1 109 THR H 0.000 . 8.900 4.760 4.760 4.760 . 0 0 "[ ]" 1
1326 1 34 PHE QD 1 116 ARG H 0.000 . 8.000 6.138 6.138 6.138 . 0 0 "[ ]" 1
1327 1 34 PHE QE 1 116 ARG H 0.000 . 8.000 4.780 4.780 4.780 . 0 0 "[ ]" 1
1328 1 34 PHE QE 1 117 LEU H 0.000 . 7.000 3.810 3.810 3.810 . 0 0 "[ ]" 1
1329 1 34 PHE HZ 1 117 LEU H 0.000 . 6.000 3.331 3.331 3.331 . 0 0 "[ ]" 1
1330 1 34 PHE HZ 1 118 LYS H 0.000 . 6.000 5.848 5.848 5.848 . 0 0 "[ ]" 1
1331 1 12 ILE MD 1 126 SER H 0.000 . 7.500 4.742 4.742 4.742 . 0 0 "[ ]" 1
1332 1 11 ILE MD 1 90 ASN H 0.000 . 7.500 4.819 4.819 4.819 . 0 0 "[ ]" 1
1333 1 7 THR H 1 94 LEU QD 0.000 . 8.900 4.965 4.965 4.965 . 0 0 "[ ]" 1
1334 1 92 TRP HZ2 1 98 ASN HA 0.000 . 4.000 2.771 2.771 2.771 . 0 0 "[ ]" 1
1335 1 92 TRP HH2 1 98 ASN HA 0.000 . 6.000 4.856 4.856 4.856 . 0 0 "[ ]" 1
1336 1 92 TRP HZ2 1 98 ASN QB 0.000 . 6.000 2.616 2.616 2.616 . 0 0 "[ ]" 1
1337 1 4 CYS H 1 129 SER H 0.000 . 6.000 4.575 4.575 4.575 . 0 0 "[ ]" 1
1338 1 33 ILE H 1 104 GLU HA 0.000 . 6.000 5.850 5.850 5.850 . 0 0 "[ ]" 1
1339 1 23 THR MG 1 76 ARG H 0.000 . 7.500 5.165 5.165 5.165 . 0 0 "[ ]" 1
1340 1 7 THR MG 1 90 ASN QB 0.000 . 5.500 1.961 1.961 1.961 . 0 0 "[ ]" 1
1341 1 7 THR MG 1 94 LEU MD1 0.000 . 8.000 1.957 1.957 1.957 . 0 0 "[ ]" 1
1342 1 7 THR MG 1 94 LEU MD2 0.000 . 8.000 3.498 3.498 3.498 . 0 0 "[ ]" 1
1343 1 7 THR HB 1 94 LEU MD1 0.000 . 4.500 2.956 2.956 2.956 . 0 0 "[ ]" 1
1344 1 7 THR HB 1 94 LEU MD2 0.000 . 4.500 3.626 3.626 3.626 . 0 0 "[ ]" 1
1345 1 7 THR MG 1 94 LEU HA 0.000 . 6.500 4.800 4.800 4.800 . 0 0 "[ ]" 1
1346 1 7 THR MG 1 90 ASN HA 0.000 . 4.500 2.771 2.771 2.771 . 0 0 "[ ]" 1
1347 1 8 LEU MD1 1 125 TYR HA 0.000 . 6.500 2.937 2.937 2.937 . 0 0 "[ ]" 1
1348 1 8 LEU MD1 1 94 LEU MD1 0.000 . 8.000 4.424 4.424 4.424 . 0 0 "[ ]" 1
1349 1 8 LEU MD1 1 94 LEU MD2 0.000 . 8.000 2.694 2.694 2.694 . 0 0 "[ ]" 1
1350 1 8 LEU MD2 1 125 TYR HA 0.000 . 6.500 5.283 5.283 5.283 . 0 0 "[ ]" 1
1351 1 8 LEU MD2 1 94 LEU MD1 0.000 . 8.000 2.966 2.966 2.966 . 0 0 "[ ]" 1
1352 1 8 LEU MD2 1 94 LEU MD2 0.000 . 8.000 1.874 1.874 1.874 . 0 0 "[ ]" 1
1353 1 8 LEU HA 1 94 LEU MD1 0.000 . 6.500 4.130 4.130 4.130 . 0 0 "[ ]" 1
1354 1 8 LEU HA 1 94 LEU MD2 0.000 . 6.500 3.294 3.294 3.294 . 0 0 "[ ]" 1
1355 1 11 ILE MD 1 90 ASN HA 0.000 . 6.500 4.208 4.208 4.208 . 0 0 "[ ]" 1
1356 1 11 ILE MD 1 90 ASN QB 0.000 . 5.500 2.286 2.286 2.286 . 0 0 "[ ]" 1
1357 1 11 ILE MD 1 94 LEU QD 0.000 . 7.400 1.667 1.667 1.667 . 0 0 "[ ]" 1
1358 1 11 ILE MD 1 87 LEU QD 0.000 . 9.400 3.984 3.984 3.984 . 0 0 "[ ]" 1
1359 1 11 ILE HA 1 87 LEU QD 0.000 . 7.900 4.604 4.604 4.604 . 0 0 "[ ]" 1
1360 1 11 ILE MG 1 94 LEU QD 0.000 . 7.400 2.994 2.994 2.994 . 0 0 "[ ]" 1
1361 1 11 ILE MD 1 121 MET ME 0.000 . 8.000 3.394 3.394 3.394 . 0 0 "[ ]" 1
1362 1 11 ILE MG 1 121 MET ME 0.000 . 6.000 3.435 3.435 3.435 . 0 0 "[ ]" 1
1363 1 12 ILE MD 1 125 TYR HA 0.000 . 4.500 3.903 3.903 3.903 . 0 0 "[ ]" 1
1364 1 12 ILE MD 1 125 TYR HB3 0.000 . 6.500 2.971 2.971 2.971 . 0 0 "[ ]" 1
1365 1 12 ILE MD 1 125 TYR HB2 0.000 . 6.500 2.067 2.067 2.067 . 0 0 "[ ]" 1
1366 1 12 ILE MD 1 122 ARG HA 0.000 . 4.500 2.786 2.786 2.786 . 0 0 "[ ]" 1
1367 1 12 ILE MD 1 122 ARG QD 0.000 . 6.500 4.305 4.305 4.305 . 0 0 "[ ]" 1
1368 1 14 THR MG 1 83 PHE HA 0.000 . 4.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
1369 1 14 THR MG 1 83 PHE HB3 0.000 . 4.500 2.618 2.618 2.618 . 0 0 "[ ]" 1
1370 1 14 THR MG 1 83 PHE HB2 0.000 . 4.500 3.947 3.947 3.947 . 0 0 "[ ]" 1
1371 1 14 THR MG 1 86 ARG QD 0.000 . 5.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
1372 1 14 THR MG 1 86 ARG HA 0.000 . 4.500 4.083 4.083 4.083 . 0 0 "[ ]" 1
1373 1 14 THR MG 1 87 LEU MD1 0.000 . 6.000 4.207 4.207 4.207 . 0 0 "[ ]" 1
1374 1 14 THR MG 1 87 LEU MD2 0.000 . 6.000 3.114 3.114 3.114 . 0 0 "[ ]" 1
1375 1 14 THR HB 1 87 LEU MD1 0.000 . 6.500 4.866 4.866 4.866 . 0 0 "[ ]" 1
1376 1 14 THR HB 1 87 LEU MD2 0.000 . 6.500 4.424 4.424 4.424 . 0 0 "[ ]" 1
1377 1 14 THR HA 1 87 LEU QD 0.000 . 7.900 5.406 5.406 5.406 . 0 0 "[ ]" 1
1378 1 14 THR MG 1 87 LEU HA 0.000 . 6.500 2.765 2.765 2.765 . 0 0 "[ ]" 1
1379 1 15 LEU MD1 1 118 LYS HA 0.000 . 4.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
1380 1 15 LEU QD 1 121 MET HG3 0.000 . 5.900 2.189 2.189 2.189 . 0 0 "[ ]" 1
1381 1 15 LEU QD 1 121 MET HG2 0.000 . 5.900 2.979 2.979 2.979 . 0 0 "[ ]" 1
1382 1 15 LEU QD 1 117 LEU QD 0.000 . 8.800 2.114 2.114 2.114 . 0 0 "[ ]" 1
1383 1 15 LEU MD1 1 87 LEU QD 0.000 . 7.400 2.226 2.226 2.226 . 0 0 "[ ]" 1
1384 1 15 LEU QD 1 94 LEU MD1 0.000 . 7.400 4.752 4.752 4.752 . 0 0 "[ ]" 1
1385 1 15 LEU QD 1 94 LEU MD2 0.000 . 7.400 4.681 4.681 4.681 . 0 0 "[ ]" 1
1386 1 15 LEU MD2 1 118 LYS HA 0.000 . 4.500 1.907 1.907 1.907 . 0 0 "[ ]" 1
1387 1 15 LEU MD2 1 87 LEU QD 0.000 . 7.400 3.023 3.023 3.023 . 0 0 "[ ]" 1
1388 1 15 LEU HG 1 87 LEU QD 0.000 . 7.900 2.405 2.405 2.405 . 0 0 "[ ]" 1
1389 1 15 LEU MD1 1 114 LEU QD 0.000 . 7.400 4.215 4.215 4.215 . 0 0 "[ ]" 1
1390 1 15 LEU MD2 1 114 LEU QD 0.000 . 7.400 4.022 4.022 4.022 . 0 0 "[ ]" 1
1391 1 18 LEU MD1 1 83 PHE HA 0.000 . 4.500 3.706 3.706 3.706 . 0 0 "[ ]" 1
1392 1 18 LEU MD1 1 83 PHE QB 0.000 . 5.500 1.951 1.951 1.951 . 0 0 "[ ]" 1
1393 1 18 LEU MD2 1 83 PHE HA 0.000 . 4.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
1394 1 18 LEU MD2 1 83 PHE QB 0.000 . 5.500 1.811 1.811 1.811 . 0 0 "[ ]" 1
1395 1 19 THR MG 1 111 GLU HA 0.000 . 4.500 3.055 3.055 3.055 . 0 0 "[ ]" 1
1396 1 19 THR MG 1 114 LEU MD1 0.000 . 6.000 2.380 2.380 2.380 . 0 0 "[ ]" 1
1397 1 19 THR MG 1 114 LEU MD2 0.000 . 6.000 3.496 3.496 3.496 . 0 0 "[ ]" 1
1398 1 19 THR MG 1 114 LEU HG 0.000 . 4.500 3.852 3.852 3.852 . 0 0 "[ ]" 1
1399 1 19 THR HB 1 111 GLU HA 0.000 . 5.000 4.969 4.969 4.969 . 0 0 "[ ]" 1
1400 1 19 THR MG 1 115 GLU HA 0.000 . 4.500 2.562 2.562 2.562 . 0 0 "[ ]" 1
1401 1 19 THR MG 1 115 GLU QG 0.000 . 5.500 2.382 2.382 2.382 . 0 0 "[ ]" 1
1402 1 23 THR MG 1 80 LEU MD1 0.000 . 6.000 2.614 2.614 2.614 . 0 0 "[ ]" 1
1403 1 23 THR MG 1 80 LEU MD2 0.000 . 6.000 2.229 2.229 2.229 . 0 0 "[ ]" 1
1404 1 23 THR MG 1 76 ARG QD 0.000 . 5.500 2.339 2.339 2.339 . 0 0 "[ ]" 1
1405 1 26 THR MG 1 110 LEU MD1 0.000 . 6.000 3.460 3.460 3.460 . 0 0 "[ ]" 1
1406 1 26 THR MG 1 110 LEU MD2 0.000 . 6.000 1.894 1.894 1.894 . 0 0 "[ ]" 1
1407 1 26 THR HA 1 110 LEU MD1 0.000 . 6.500 4.282 4.282 4.282 . 0 0 "[ ]" 1
1408 1 26 THR HA 1 110 LEU MD2 0.000 . 6.500 2.144 2.144 2.144 . 0 0 "[ ]" 1
1409 1 26 THR HB 1 110 LEU QD 0.000 . 7.900 3.832 3.832 3.832 . 0 0 "[ ]" 1
1410 1 26 THR MG 1 80 LEU MD1 0.000 . 6.000 4.064 4.064 4.064 . 0 0 "[ ]" 1
1411 1 26 THR MG 1 80 LEU MD2 0.000 . 6.000 2.481 2.481 2.481 . 0 0 "[ ]" 1
1412 1 26 THR MG 1 114 LEU MD1 0.000 . 6.000 2.295 2.295 2.295 . 0 0 "[ ]" 1
1413 1 26 THR MG 1 114 LEU MD2 0.000 . 6.000 4.171 4.171 4.171 . 0 0 "[ ]" 1
1414 1 26 THR MG 1 110 LEU HA 0.000 . 4.500 3.882 3.882 3.882 . 0 0 "[ ]" 1
1415 1 26 THR MG 1 110 LEU QB 0.000 . 5.500 1.985 1.985 1.985 . 0 0 "[ ]" 1
1416 1 26 THR HA 1 110 LEU HA 0.000 . 5.000 4.848 4.848 4.848 . 0 0 "[ ]" 1
1417 1 26 THR HA 1 110 LEU HB3 0.000 . 3.000 1.973 1.973 1.973 . 0 0 "[ ]" 1
1418 1 26 THR HA 1 110 LEU HB2 0.000 . 3.000 2.878 2.878 2.878 . 0 0 "[ ]" 1
1419 1 26 THR HB 1 110 LEU HA 0.000 . 5.000 5.302 5.302 5.302 0.302 1 0 "[ ]" 1
1420 1 26 THR HB 1 110 LEU QB 0.000 . 6.000 2.819 2.819 2.819 . 0 0 "[ ]" 1
1421 1 26 THR HB 1 111 GLU QB 0.000 . 6.000 2.206 2.206 2.206 . 0 0 "[ ]" 1
1422 1 26 THR HB 1 111 GLU QG 0.000 . 6.000 4.085 4.085 4.085 . 0 0 "[ ]" 1
1423 1 27 GLU HA 1 109 THR MG 0.000 . 4.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
1424 1 27 GLU QB 1 109 THR MG 0.000 . 5.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
1425 1 27 GLU QG 1 109 THR MG 0.000 . 5.500 2.976 2.976 2.976 . 0 0 "[ ]" 1
1426 1 27 GLU HA 1 109 THR HA 0.000 . 3.000 3.038 3.038 3.038 0.038 1 0 "[ ]" 1
1427 1 29 THR MG 1 108 SER HA 0.000 . 6.500 4.894 4.894 4.894 . 0 0 "[ ]" 1
1428 1 29 THR MG 1 109 THR HB 0.000 . 6.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
1429 1 29 THR MG 1 109 THR HA 0.000 . 4.500 2.765 2.765 2.765 . 0 0 "[ ]" 1
1430 1 29 THR MG 1 107 GLN QG 0.000 . 5.500 3.941 3.941 3.941 . 0 0 "[ ]" 1
1431 1 29 THR MG 1 107 GLN QB 0.000 . 5.500 3.260 3.260 3.260 . 0 0 "[ ]" 1
1432 1 29 THR MG 1 109 THR MG 0.000 . 6.000 1.848 1.848 1.848 . 0 0 "[ ]" 1
1433 1 29 THR HA 1 109 THR MG 0.000 . 4.500 3.502 3.502 3.502 . 0 0 "[ ]" 1
1434 1 29 THR HB 1 109 THR MG 0.000 . 4.500 3.714 3.714 3.714 . 0 0 "[ ]" 1
1435 1 29 THR HA 1 109 THR HB 0.000 . 5.000 4.843 4.843 4.843 . 0 0 "[ ]" 1
1436 1 29 THR HA 1 109 THR HA 0.000 . 3.000 2.334 2.334 2.334 . 0 0 "[ ]" 1
1437 1 29 THR HB 1 107 GLN QB 0.000 . 4.000 2.024 2.024 2.024 . 0 0 "[ ]" 1
1438 1 29 THR HB 1 107 GLN QG 0.000 . 6.000 2.815 2.815 2.815 . 0 0 "[ ]" 1
1439 1 29 THR HB 1 109 THR HA 0.000 . 5.000 3.991 3.991 3.991 . 0 0 "[ ]" 1
1440 1 30 VAL QG 1 113 PHE HA 0.000 . 7.900 5.034 5.034 5.034 . 0 0 "[ ]" 1
1441 1 30 VAL QG 1 113 PHE HB3 0.000 . 5.900 3.743 3.743 3.743 . 0 0 "[ ]" 1
1442 1 30 VAL QG 1 113 PHE HB2 0.000 . 5.900 3.160 3.160 3.160 . 0 0 "[ ]" 1
1443 1 30 VAL QG 1 108 SER HB3 0.000 . 7.900 2.552 2.552 2.552 . 0 0 "[ ]" 1
1444 1 30 VAL QG 1 108 SER HB2 0.000 . 7.900 3.965 3.965 3.965 . 0 0 "[ ]" 1
1445 1 30 VAL QG 1 52 VAL HB 0.000 . 7.900 4.818 4.818 4.818 . 0 0 "[ ]" 1
1446 1 30 VAL QG 1 52 VAL MG1 0.000 . 9.400 2.603 2.603 2.603 . 0 0 "[ ]" 1
1447 1 30 VAL QG 1 52 VAL MG2 0.000 . 9.400 4.217 4.217 4.217 . 0 0 "[ ]" 1
1448 1 30 VAL QG 1 53 LEU QD 0.000 . 10.800 3.881 3.881 3.881 . 0 0 "[ ]" 1
1449 1 30 VAL QG 1 110 LEU QD 0.000 . 8.800 2.728 2.728 2.728 . 0 0 "[ ]" 1
1450 1 30 VAL HA 1 52 VAL QG 0.000 . 7.900 4.194 4.194 4.194 . 0 0 "[ ]" 1
1451 1 30 VAL HB 1 52 VAL QG 0.000 . 7.900 2.484 2.484 2.484 . 0 0 "[ ]" 1
1452 1 31 THR MG 1 107 GLN HA 0.000 . 6.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
1453 1 31 THR MG 1 105 ALA HA 0.000 . 6.500 4.347 4.347 4.347 . 0 0 "[ ]" 1
1454 1 31 THR MG 1 105 ALA MB 0.000 . 6.000 2.962 2.962 2.962 . 0 0 "[ ]" 1
1455 1 31 THR MG 1 104 GLU HA 0.000 . 4.500 1.894 1.894 1.894 . 0 0 "[ ]" 1
1456 1 31 THR MG 1 104 GLU QB 0.000 . 5.500 3.291 3.291 3.291 . 0 0 "[ ]" 1
1457 1 31 THR MG 1 102 VAL QG 0.000 . 9.400 2.608 2.608 2.608 . 0 0 "[ ]" 1
1458 1 31 THR HB 1 102 VAL QG 0.000 . 5.900 3.017 3.017 3.017 . 0 0 "[ ]" 1
1459 1 31 THR HA 1 107 GLN HA 0.000 . 3.000 2.919 2.919 2.919 . 0 0 "[ ]" 1
1460 1 31 THR HA 1 107 GLN QB 0.000 . 6.000 4.756 4.756 4.756 . 0 0 "[ ]" 1
1461 1 31 THR HA 1 107 GLN QG 0.000 . 4.000 3.275 3.275 3.275 . 0 0 "[ ]" 1
1462 1 32 ASP QB 1 108 SER HA 0.000 . 4.000 3.454 3.454 3.454 . 0 0 "[ ]" 1
1463 1 32 ASP QB 1 108 SER HB3 0.000 . 6.000 3.193 3.193 3.193 . 0 0 "[ ]" 1
1464 1 32 ASP QB 1 108 SER HB2 0.000 . 6.000 2.147 2.147 2.147 . 0 0 "[ ]" 1
1465 1 33 ILE MD 1 49 ALA HA 0.000 . 4.500 3.658 3.658 3.658 . 0 0 "[ ]" 1
1466 1 33 ILE MD 1 49 ALA MB 0.000 . 6.000 2.808 2.808 2.808 . 0 0 "[ ]" 1
1467 1 33 ILE MD 1 45 THR HA 0.000 . 4.500 2.804 2.804 2.804 . 0 0 "[ ]" 1
1468 1 33 ILE MD 1 45 THR MG 0.000 . 6.000 1.931 1.931 1.931 . 0 0 "[ ]" 1
1469 1 33 ILE QG 1 45 THR MG 0.000 . 5.500 3.734 3.734 3.734 . 0 0 "[ ]" 1
1470 1 33 ILE MD 1 52 VAL QG 0.000 . 9.400 4.439 4.439 4.439 . 0 0 "[ ]" 1
1471 1 33 ILE HG13 1 52 VAL QG 0.000 . 7.900 4.023 4.023 4.023 . 0 0 "[ ]" 1
1472 1 33 ILE HG12 1 52 VAL QG 0.000 . 7.900 3.452 3.452 3.452 . 0 0 "[ ]" 1
1473 1 33 ILE MG 1 52 VAL HB 0.000 . 4.500 3.606 3.606 3.606 . 0 0 "[ ]" 1
1474 1 33 ILE MG 1 49 ALA HA 0.000 . 4.500 3.188 3.188 3.188 . 0 0 "[ ]" 1
1475 1 33 ILE MG 1 105 ALA MB 0.000 . 8.000 3.947 3.947 3.947 . 0 0 "[ ]" 1
1476 1 33 ILE MD 1 105 ALA MB 0.000 . 8.000 5.431 5.431 5.431 . 0 0 "[ ]" 1
1477 1 33 ILE QG 1 49 ALA HA 0.000 . 6.000 2.618 2.618 2.618 . 0 0 "[ ]" 1
1478 1 34 PHE HA 1 45 THR MG 0.000 . 6.500 2.848 2.848 2.848 . 0 0 "[ ]" 1
1479 1 34 PHE QB 1 45 THR MG 0.000 . 7.500 4.222 4.222 4.222 . 0 0 "[ ]" 1
1480 1 35 ALA MB 1 106 ASN QB 0.000 . 5.500 3.057 3.057 3.057 . 0 0 "[ ]" 1
1481 1 43 LYS HA 1 95 ALA MB 0.000 . 4.500 3.579 3.579 3.579 . 0 0 "[ ]" 1
1482 1 43 LYS HB3 1 95 ALA MB 0.000 . 5.500 4.265 4.265 4.265 . 0 0 "[ ]" 1
1483 1 43 LYS HA 1 95 ALA HA 0.000 . 3.000 2.220 2.220 2.220 . 0 0 "[ ]" 1
1484 1 43 LYS QB 1 95 ALA HA 0.000 . 4.000 3.716 3.716 3.716 . 0 0 "[ ]" 1
1485 1 44 GLU HA 1 97 LEU MD1 0.000 . 4.500 3.464 3.464 3.464 . 0 0 "[ ]" 1
1486 1 44 GLU HA 1 97 LEU MD2 0.000 . 4.500 2.033 2.033 2.033 . 0 0 "[ ]" 1
1487 1 44 GLU QG 1 97 LEU MD1 0.000 . 5.500 4.354 4.354 4.354 . 0 0 "[ ]" 1
1488 1 44 GLU QG 1 97 LEU MD2 0.000 . 5.500 2.377 2.377 2.377 . 0 0 "[ ]" 1
1489 1 46 PHE HA 1 91 LEU QD 0.000 . 5.900 2.767 2.767 2.767 . 0 0 "[ ]" 1
1490 1 46 PHE QB 1 91 LEU QD 0.000 . 6.900 3.028 3.028 3.028 . 0 0 "[ ]" 1
1491 1 46 PHE HB3 1 95 ALA MB 0.000 . 6.500 2.037 2.037 2.037 . 0 0 "[ ]" 1
1492 1 46 PHE HB2 1 95 ALA MB 0.000 . 6.500 3.138 3.138 3.138 . 0 0 "[ ]" 1
1493 1 46 PHE QB 1 95 ALA HA 0.000 . 6.000 2.329 2.329 2.329 . 0 0 "[ ]" 1
1494 1 47 CYS HB3 1 97 LEU MD1 0.000 . 4.500 3.364 3.364 3.364 . 0 0 "[ ]" 1
1495 1 47 CYS HB2 1 97 LEU MD1 0.000 . 4.500 2.113 2.113 2.113 . 0 0 "[ ]" 1
1496 1 47 CYS HB3 1 97 LEU MD2 0.000 . 4.500 2.988 2.988 2.988 . 0 0 "[ ]" 1
1497 1 47 CYS HB2 1 97 LEU MD2 0.000 . 4.500 1.815 1.815 1.815 . 0 0 "[ ]" 1
1498 1 48 ARG HA 1 102 VAL QG 0.000 . 7.900 4.354 4.354 4.354 . 0 0 "[ ]" 1
1499 1 49 ALA MB 1 91 LEU MD1 0.000 . 6.000 2.874 2.874 2.874 . 0 0 "[ ]" 1
1500 1 49 ALA MB 1 91 LEU MD2 0.000 . 6.000 2.303 2.303 2.303 . 0 0 "[ ]" 1
1501 1 49 ALA MB 1 97 LEU QD 0.000 . 7.400 4.857 4.857 4.857 . 0 0 "[ ]" 1
1502 1 51 THR MG 1 102 VAL HA 0.000 . 6.500 4.113 4.113 4.113 . 0 0 "[ ]" 1
1503 1 51 THR MG 1 102 VAL HB 0.000 . 4.500 2.543 2.543 2.543 . 0 0 "[ ]" 1
1504 1 51 THR MG 1 102 VAL MG1 0.000 . 7.000 3.126 3.126 3.126 . 0 0 "[ ]" 1
1505 1 51 THR MG 1 102 VAL MG2 0.000 . 7.000 3.631 3.631 3.631 . 0 0 "[ ]" 1
1506 1 51 THR HB 1 102 VAL MG1 0.000 . 6.500 4.907 4.907 4.907 . 0 0 "[ ]" 1
1507 1 51 THR HB 1 102 VAL MG2 0.000 . 6.500 4.258 4.258 4.258 . 0 0 "[ ]" 1
1508 1 51 THR MG 1 101 PRO HA 0.000 . 4.500 3.430 3.430 3.430 . 0 0 "[ ]" 1
1509 1 53 LEU QD 1 84 LEU MD1 0.000 . 7.400 2.873 2.873 2.873 . 0 0 "[ ]" 1
1510 1 53 LEU QD 1 84 LEU MD2 0.000 . 7.400 1.902 1.902 1.902 . 0 0 "[ ]" 1
1511 1 53 LEU QD 1 110 LEU QD 0.000 . 8.800 2.494 2.494 2.494 . 0 0 "[ ]" 1
1512 1 57 TYR HA 1 81 ILE MD 0.000 . 4.500 2.255 2.255 2.255 . 0 0 "[ ]" 1
1513 1 57 TYR HB3 1 81 ILE MD 0.000 . 4.500 3.625 3.625 3.625 . 0 0 "[ ]" 1
1514 1 57 TYR HB2 1 81 ILE MD 0.000 . 4.500 2.883 2.883 2.883 . 0 0 "[ ]" 1
1515 1 57 TYR HA 1 81 ILE MG 0.000 . 4.500 3.138 3.138 3.138 . 0 0 "[ ]" 1
1516 1 57 TYR HB3 1 81 ILE MG 0.000 . 4.500 3.647 3.647 3.647 . 0 0 "[ ]" 1
1517 1 57 TYR HB2 1 81 ILE MG 0.000 . 4.500 2.144 2.144 2.144 . 0 0 "[ ]" 1
1518 1 57 TYR HA 1 84 LEU QD 0.000 . 5.900 2.671 2.671 2.671 . 0 0 "[ ]" 1
1519 1 57 TYR HB3 1 84 LEU QD 0.000 . 5.900 2.478 2.478 2.478 . 0 0 "[ ]" 1
1520 1 57 TYR HB2 1 84 LEU QD 0.000 . 5.900 2.997 2.997 2.997 . 0 0 "[ ]" 1
1521 1 57 TYR HA 1 84 LEU HG 0.000 . 5.000 5.225 5.225 5.225 0.225 1 0 "[ ]" 1
1522 1 57 TYR HA 1 81 ILE QG 0.000 . 6.000 4.459 4.459 4.459 . 0 0 "[ ]" 1
1523 1 57 TYR QB 1 81 ILE QG 0.000 . 7.000 4.359 4.359 4.359 . 0 0 "[ ]" 1
1524 1 61 GLU HA 1 81 ILE MD 0.000 . 4.500 2.667 2.667 2.667 . 0 0 "[ ]" 1
1525 1 61 GLU QG 1 81 ILE MD 0.000 . 5.500 2.598 2.598 2.598 . 0 0 "[ ]" 1
1526 1 61 GLU HA 1 81 ILE MG 0.000 . 4.500 3.010 3.010 3.010 . 0 0 "[ ]" 1
1527 1 61 GLU QG 1 81 ILE MG 0.000 . 5.500 2.020 2.020 2.020 . 0 0 "[ ]" 1
1528 1 61 GLU HA 1 81 ILE QG 0.000 . 6.000 2.885 2.885 2.885 . 0 0 "[ ]" 1
1529 1 67 LEU QD 1 74 PHE HA 0.000 . 5.900 3.420 3.420 3.420 . 0 0 "[ ]" 1
1530 1 67 LEU QD 1 74 PHE HB3 0.000 . 7.900 5.045 5.045 5.045 . 0 0 "[ ]" 1
1531 1 67 LEU QD 1 74 PHE HB2 0.000 . 7.900 4.196 4.196 4.196 . 0 0 "[ ]" 1
1532 1 84 LEU MD1 1 110 LEU MD1 0.000 . 6.000 3.334 3.334 3.334 . 0 0 "[ ]" 1
1533 1 84 LEU MD1 1 110 LEU MD2 0.000 . 6.000 2.316 2.316 2.316 . 0 0 "[ ]" 1
1534 1 84 LEU MD2 1 110 LEU MD1 0.000 . 6.000 2.339 2.339 2.339 . 0 0 "[ ]" 1
1535 1 84 LEU MD2 1 110 LEU MD2 0.000 . 6.000 1.952 1.952 1.952 . 0 0 "[ ]" 1
1536 1 84 LEU HG 1 110 LEU QD 0.000 . 7.900 3.616 3.616 3.616 . 0 0 "[ ]" 1
1537 1 87 LEU QD 1 118 LYS HA 0.000 . 7.900 5.576 5.576 5.576 . 0 0 "[ ]" 1
1538 1 91 LEU QD 1 121 MET ME 0.000 . 8.000 3.284 3.284 3.284 . 0 0 "[ ]" 1
1539 1 94 LEU MD1 1 121 MET ME 0.000 . 6.000 3.289 3.289 3.289 . 0 0 "[ ]" 1
1540 1 94 LEU MD2 1 121 MET ME 0.000 . 6.000 2.157 2.157 2.157 . 0 0 "[ ]" 1
1541 1 46 PHE QD 1 95 ALA MB 0.000 . 8.500 3.731 3.731 3.731 . 0 0 "[ ]" 1
1542 1 46 PHE QD 1 91 LEU QD 0.000 . 9.900 2.012 2.012 2.012 . 0 0 "[ ]" 1
1543 1 8 LEU MD1 1 125 TYR QD 0.000 . 8.500 3.096 3.096 3.096 . 0 0 "[ ]" 1
1544 1 8 LEU MD2 1 125 TYR QD 0.000 . 8.500 4.711 4.711 4.711 . 0 0 "[ ]" 1
1545 1 57 TYR QD 1 81 ILE MG 0.000 . 8.500 2.910 2.910 2.910 . 0 0 "[ ]" 1
1546 1 57 TYR QD 1 81 ILE QG 0.000 . 8.000 5.671 5.671 5.671 . 0 0 "[ ]" 1
1547 1 34 PHE QD 1 45 THR MG 0.000 . 8.500 2.458 2.458 2.458 . 0 0 "[ ]" 1
1548 1 34 PHE QE 1 45 THR MG 0.000 . 8.500 2.619 2.619 2.619 . 0 0 "[ ]" 1
1549 1 14 THR MG 1 83 PHE QD 0.000 . 8.500 3.518 3.518 3.518 . 0 0 "[ ]" 1
1550 1 14 THR MG 1 83 PHE QE 0.000 . 8.500 4.748 4.748 4.748 . 0 0 "[ ]" 1
1551 1 34 PHE QD 1 117 LEU QD 0.000 . 9.900 4.639 4.639 4.639 . 0 0 "[ ]" 1
1552 1 34 PHE QE 1 117 LEU QD 0.000 . 9.900 2.896 2.896 2.896 . 0 0 "[ ]" 1
1553 1 67 LEU QD 1 74 PHE QD 0.000 . 9.900 2.531 2.531 2.531 . 0 0 "[ ]" 1
1554 1 67 LEU QD 1 74 PHE QE 0.000 . 9.900 2.731 2.731 2.731 . 0 0 "[ ]" 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 54
_Distance_constraint_stats_list.Viol_count 22
_Distance_constraint_stats_list.Viol_total 1.106
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0336
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0205
_Distance_constraint_stats_list.Viol_average_violations_only 0.0503
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 THR 0.000 0.000 . 0 "[ ]"
1 8 LEU 0.000 0.000 . 0 "[ ]"
1 10 GLU 0.071 0.049 1 0 "[ ]"
1 11 ILE 0.000 0.000 . 0 "[ ]"
1 12 ILE 0.000 0.000 . 0 "[ ]"
1 14 THR 0.071 0.049 1 0 "[ ]"
1 15 LEU 0.000 0.000 . 0 "[ ]"
1 16 ASN 0.000 0.000 . 0 "[ ]"
1 42 GLU 0.000 0.000 . 0 "[ ]"
1 43 LYS 0.150 0.150 1 0 "[ ]"
1 44 GLU 0.010 0.010 1 0 "[ ]"
1 45 THR 0.000 0.000 . 0 "[ ]"
1 46 PHE 0.000 0.000 . 0 "[ ]"
1 47 CYS 0.150 0.150 1 0 "[ ]"
1 48 ARG 0.010 0.010 1 0 "[ ]"
1 49 ALA 0.000 0.000 . 0 "[ ]"
1 50 ALA 0.000 0.000 . 0 "[ ]"
1 52 VAL 0.136 0.078 1 0 "[ ]"
1 53 LEU 0.139 0.097 1 0 "[ ]"
1 54 ARG 0.082 0.070 1 0 "[ ]"
1 56 PHE 0.136 0.078 1 0 "[ ]"
1 57 TYR 0.139 0.097 1 0 "[ ]"
1 58 SER 0.082 0.070 1 0 "[ ]"
1 80 LEU 0.000 0.000 . 0 "[ ]"
1 81 ILE 0.033 0.029 1 0 "[ ]"
1 82 ARG 0.000 0.000 . 0 "[ ]"
1 83 PHE 0.000 0.000 . 0 "[ ]"
1 84 LEU 0.000 0.000 . 0 "[ ]"
1 85 LYS 0.033 0.029 1 0 "[ ]"
1 86 ARG 0.000 0.000 . 0 "[ ]"
1 87 LEU 0.000 0.000 . 0 "[ ]"
1 111 GLU 0.000 0.000 . 0 "[ ]"
1 112 ASN 0.048 0.037 1 0 "[ ]"
1 113 PHE 0.132 0.079 1 0 "[ ]"
1 114 LEU 0.000 0.000 . 0 "[ ]"
1 115 GLU 0.140 0.082 1 0 "[ ]"
1 116 ARG 0.086 0.037 1 0 "[ ]"
1 117 LEU 0.259 0.079 1 0 "[ ]"
1 118 LYS 0.000 0.000 . 0 "[ ]"
1 119 THR 0.140 0.082 1 0 "[ ]"
1 120 ILE 0.039 0.031 1 0 "[ ]"
1 121 MET 0.126 0.076 1 0 "[ ]"
1 122 ARG 0.000 0.000 . 0 "[ ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 THR O 1 11 ILE H 1.800 . 2.000 1.851 1.851 1.851 . 0 0 "[ ]" 2
2 1 7 THR O 1 11 ILE N 2.800 2.700 3.000 2.817 2.817 2.817 . 0 0 "[ ]" 2
3 1 8 LEU O 1 12 ILE H 1.800 . 2.000 1.846 1.846 1.846 . 0 0 "[ ]" 2
4 1 8 LEU O 1 12 ILE N 2.800 2.700 3.000 2.798 2.798 2.798 . 0 0 "[ ]" 2
5 1 10 GLU O 1 14 THR H 1.800 . 2.000 2.049 2.049 2.049 0.049 1 0 "[ ]" 2
6 1 10 GLU O 1 14 THR N 2.800 2.700 3.000 3.022 3.022 3.022 0.022 1 0 "[ ]" 2
7 1 11 ILE O 1 15 LEU H 1.800 . 2.000 1.836 1.836 1.836 . 0 0 "[ ]" 2
8 1 11 ILE O 1 15 LEU N 2.800 2.700 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 2
9 1 12 ILE O 1 16 ASN H 1.800 . 2.000 1.877 1.877 1.877 . 0 0 "[ ]" 2
10 1 12 ILE O 1 16 ASN N 2.800 2.700 3.000 2.839 2.839 2.839 . 0 0 "[ ]" 2
11 1 42 GLU O 1 46 PHE H 1.800 . 2.000 1.911 1.911 1.911 . 0 0 "[ ]" 2
12 1 42 GLU O 1 46 PHE N 2.800 2.700 3.000 2.882 2.882 2.882 . 0 0 "[ ]" 2
13 1 43 LYS O 1 47 CYS H 1.800 . 2.000 2.150 2.150 2.150 0.150 1 0 "[ ]" 2
14 1 43 LYS O 1 47 CYS N 2.800 2.700 3.000 2.775 2.775 2.775 . 0 0 "[ ]" 2
15 1 44 GLU O 1 48 ARG H 1.800 . 2.000 2.010 2.010 2.010 0.010 1 0 "[ ]" 2
16 1 44 GLU O 1 48 ARG N 2.800 2.700 3.000 2.983 2.983 2.983 . 0 0 "[ ]" 2
17 1 45 THR O 1 49 ALA H 1.800 . 2.000 1.960 1.960 1.960 . 0 0 "[ ]" 2
18 1 45 THR O 1 49 ALA N 2.800 2.700 3.000 2.833 2.833 2.833 . 0 0 "[ ]" 2
19 1 46 PHE O 1 50 ALA H 1.800 . 2.000 1.917 1.917 1.917 . 0 0 "[ ]" 2
20 1 46 PHE O 1 50 ALA N 2.800 2.700 3.000 2.887 2.887 2.887 . 0 0 "[ ]" 2
21 1 48 ARG O 1 52 VAL H 1.800 . 2.000 1.905 1.905 1.905 . 0 0 "[ ]" 2
22 1 48 ARG O 1 52 VAL N 2.800 2.700 3.000 2.877 2.877 2.877 . 0 0 "[ ]" 2
23 1 49 ALA O 1 53 LEU H 1.800 . 2.000 1.961 1.961 1.961 . 0 0 "[ ]" 2
24 1 49 ALA O 1 53 LEU N 2.800 2.700 3.000 2.929 2.929 2.929 . 0 0 "[ ]" 2
25 1 52 VAL O 1 56 PHE H 1.800 . 2.000 2.078 2.078 2.078 0.078 1 0 "[ ]" 2
26 1 52 VAL O 1 56 PHE N 2.800 2.700 3.000 3.058 3.058 3.058 0.058 1 0 "[ ]" 2
27 1 53 LEU O 1 57 TYR H 1.800 . 2.000 2.097 2.097 2.097 0.097 1 0 "[ ]" 2
28 1 53 LEU O 1 57 TYR N 2.800 2.700 3.000 3.042 3.042 3.042 0.042 1 0 "[ ]" 2
29 1 54 ARG O 1 58 SER H 1.800 . 2.000 2.070 2.070 2.070 0.070 1 0 "[ ]" 2
30 1 54 ARG O 1 58 SER N 2.800 2.700 3.000 3.012 3.012 3.012 0.012 1 0 "[ ]" 2
31 1 80 LEU O 1 84 LEU H 1.800 . 2.000 1.823 1.823 1.823 . 0 0 "[ ]" 2
32 1 80 LEU O 1 84 LEU N 2.800 2.700 3.000 2.790 2.790 2.790 . 0 0 "[ ]" 2
33 1 81 ILE O 1 85 LYS H 1.800 . 2.000 2.029 2.029 2.029 0.029 1 0 "[ ]" 2
34 1 81 ILE O 1 85 LYS N 2.800 2.700 3.000 3.004 3.004 3.004 0.004 1 0 "[ ]" 2
35 1 82 ARG O 1 86 ARG H 1.800 . 2.000 1.862 1.862 1.862 . 0 0 "[ ]" 2
36 1 82 ARG O 1 86 ARG N 2.800 2.700 3.000 2.826 2.826 2.826 . 0 0 "[ ]" 2
37 1 83 PHE O 1 87 LEU H 1.800 . 2.000 1.860 1.860 1.860 . 0 0 "[ ]" 2
38 1 83 PHE O 1 87 LEU N 2.800 2.700 3.000 2.818 2.818 2.818 . 0 0 "[ ]" 2
39 1 111 GLU O 1 115 GLU H 1.800 . 2.000 1.949 1.949 1.949 . 0 0 "[ ]" 2
40 1 111 GLU O 1 115 GLU N 2.800 2.700 3.000 2.922 2.922 2.922 . 0 0 "[ ]" 2
41 1 112 ASN O 1 116 ARG H 1.800 . 2.000 2.037 2.037 2.037 0.037 1 0 "[ ]" 2
42 1 112 ASN O 1 116 ARG N 2.800 2.700 3.000 3.011 3.011 3.011 0.011 1 0 "[ ]" 2
43 1 113 PHE O 1 117 LEU H 1.800 . 2.000 2.079 2.079 2.079 0.079 1 0 "[ ]" 2
44 1 113 PHE O 1 117 LEU N 2.800 2.700 3.000 3.054 3.054 3.054 0.054 1 0 "[ ]" 2
45 1 114 LEU O 1 118 LYS H 1.800 . 2.000 1.852 1.852 1.852 . 0 0 "[ ]" 2
46 1 114 LEU O 1 118 LYS N 2.800 2.700 3.000 2.824 2.824 2.824 . 0 0 "[ ]" 2
47 1 115 GLU O 1 119 THR H 1.800 . 2.000 2.082 2.082 2.082 0.082 1 0 "[ ]" 2
48 1 115 GLU O 1 119 THR N 2.800 2.700 3.000 3.058 3.058 3.058 0.058 1 0 "[ ]" 2
49 1 116 ARG O 1 120 ILE H 1.800 . 2.000 2.031 2.031 2.031 0.031 1 0 "[ ]" 2
50 1 116 ARG O 1 120 ILE N 2.800 2.700 3.000 3.008 3.008 3.008 0.008 1 0 "[ ]" 2
51 1 117 LEU O 1 121 MET H 1.800 . 2.000 2.076 2.076 2.076 0.076 1 0 "[ ]" 2
52 1 117 LEU O 1 121 MET N 2.800 2.700 3.000 3.050 3.050 3.050 0.050 1 0 "[ ]" 2
53 1 118 LYS O 1 122 ARG H 1.800 . 2.000 1.995 1.995 1.995 . 0 0 "[ ]" 2
54 1 118 LYS O 1 122 ARG N 2.800 2.700 3.000 2.976 2.976 2.976 . 0 0 "[ ]" 2
stop_
save_
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