NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
424408 |
2fvt   |
6964 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fvt
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 1028
_Distance_constraint_stats_list.Viol_count 432
_Distance_constraint_stats_list.Viol_total 216.241
_Distance_constraint_stats_list.Viol_max 0.264
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0250
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 HIS 0.079 0.028 1 0 "[ . 1 . 2]"
1 10 PHE 0.061 0.029 11 0 "[ . 1 . 2]"
1 11 PRO 0.060 0.032 2 0 "[ . 1 . 2]"
1 12 ARG 0.254 0.040 7 0 "[ . 1 . 2]"
1 13 THR 0.229 0.040 7 0 "[ . 1 . 2]"
1 14 ALA 0.055 0.013 16 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.164 0.034 18 0 "[ . 1 . 2]"
1 17 ASP 0.157 0.051 15 0 "[ . 1 . 2]"
1 18 ALA 0.188 0.051 15 0 "[ . 1 . 2]"
1 19 TYR 0.085 0.021 10 0 "[ . 1 . 2]"
1 20 GLY 0.164 0.042 20 0 "[ . 1 . 2]"
1 21 LYS 1.111 0.218 13 0 "[ . 1 . 2]"
1 22 GLY 0.509 0.081 12 0 "[ . 1 . 2]"
1 23 GLY 0.067 0.034 5 0 "[ . 1 . 2]"
1 24 PHE 0.033 0.021 10 0 "[ . 1 . 2]"
1 25 TYR 0.456 0.066 15 0 "[ . 1 . 2]"
1 26 PHE 0.077 0.031 10 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 MET 0.005 0.005 3 0 "[ . 1 . 2]"
1 30 SER 0.126 0.029 7 0 "[ . 1 . 2]"
1 31 HIS 0.294 0.066 15 0 "[ . 1 . 2]"
1 32 GLN 0.228 0.058 5 0 "[ . 1 . 2]"
1 33 GLY 0.141 0.055 3 0 "[ . 1 . 2]"
1 34 SER 0.145 0.030 19 0 "[ . 1 . 2]"
1 35 LEU 0.020 0.015 3 0 "[ . 1 . 2]"
1 36 LEU 0.138 0.024 7 0 "[ . 1 . 2]"
1 37 PHE 0.111 0.020 3 0 "[ . 1 . 2]"
1 38 LEU 0.141 0.027 18 0 "[ . 1 . 2]"
1 39 PRO 0.023 0.012 1 0 "[ . 1 . 2]"
1 40 ASP 0.006 0.006 3 0 "[ . 1 . 2]"
1 41 ALA 0.117 0.032 2 0 "[ . 1 . 2]"
1 42 VAL 0.254 0.033 12 0 "[ . 1 . 2]"
1 43 TRP 0.012 0.008 4 0 "[ . 1 . 2]"
1 44 GLY 0.082 0.021 8 0 "[ . 1 . 2]"
1 45 TRP 0.053 0.016 20 0 "[ . 1 . 2]"
1 46 ASP 0.438 0.136 17 0 "[ . 1 . 2]"
1 47 VAL 0.793 0.152 10 0 "[ . 1 . 2]"
1 48 THR 0.048 0.048 14 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PRO 0.049 0.028 14 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLN 0.162 0.051 14 0 "[ . 1 . 2]"
1 53 ILE 0.146 0.028 14 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ARG 0.459 0.081 17 0 "[ . 1 . 2]"
1 56 TYR 0.265 0.081 17 0 "[ . 1 . 2]"
1 57 SER 0.031 0.024 5 0 "[ . 1 . 2]"
1 58 LEU 0.045 0.013 2 0 "[ . 1 . 2]"
1 59 GLN 0.039 0.016 16 0 "[ . 1 . 2]"
1 60 ARG 0.542 0.103 4 0 "[ . 1 . 2]"
1 61 VAL 0.021 0.014 14 0 "[ . 1 . 2]"
1 62 PHE 0.136 0.029 5 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.034 0.016 8 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.210 0.046 7 0 "[ . 1 . 2]"
1 68 ILE 0.498 0.264 4 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 THR 0.037 0.025 2 0 "[ . 1 . 2]"
1 71 LEU 0.046 0.023 8 0 "[ . 1 . 2]"
1 72 ILE 0.108 0.027 2 0 "[ . 1 . 2]"
1 73 VAL 0.159 0.039 14 0 "[ . 1 . 2]"
1 74 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 THR 0.292 0.044 16 0 "[ . 1 . 2]"
1 76 GLY 0.076 0.022 9 0 "[ . 1 . 2]"
1 77 ALA 0.426 0.103 9 0 "[ . 1 . 2]"
1 78 ASP 0.279 0.103 9 0 "[ . 1 . 2]"
1 79 VAL 0.103 0.056 5 0 "[ . 1 . 2]"
1 80 TRP 0.335 0.044 16 0 "[ . 1 . 2]"
1 81 ILE 0.015 0.015 20 0 "[ . 1 . 2]"
1 82 ALA 0.096 0.040 19 0 "[ . 1 . 2]"
1 83 PRO 0.074 0.020 9 0 "[ . 1 . 2]"
1 84 ARG 0.216 0.056 20 0 "[ . 1 . 2]"
1 85 GLN 0.039 0.022 17 0 "[ . 1 . 2]"
1 86 LEU 0.027 0.013 12 0 "[ . 1 . 2]"
1 87 ARG 0.216 0.056 20 0 "[ . 1 . 2]"
1 88 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 ALA 0.069 0.029 15 0 "[ . 1 . 2]"
1 90 LEU 0.065 0.016 8 0 "[ . 1 . 2]"
1 91 ARG 0.216 0.043 11 0 "[ . 1 . 2]"
1 92 GLY 0.047 0.022 16 0 "[ . 1 . 2]"
1 93 VAL 0.240 0.044 17 0 "[ . 1 . 2]"
1 94 ASN 0.361 0.044 17 0 "[ . 1 . 2]"
1 95 VAL 0.373 0.044 10 0 "[ . 1 . 2]"
1 96 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 LEU 0.007 0.007 17 0 "[ . 1 . 2]"
1 98 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 THR 0.227 0.040 19 0 "[ . 1 . 2]"
1 100 MET 0.130 0.032 6 0 "[ . 1 . 2]"
1 101 GLN 0.101 0.056 5 0 "[ . 1 . 2]"
1 102 THR 0.150 0.034 20 0 "[ . 1 . 2]"
1 103 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.078 0.034 20 0 "[ . 1 . 2]"
1 106 ILE 0.046 0.018 17 0 "[ . 1 . 2]"
1 107 ARG 0.032 0.020 19 0 "[ . 1 . 2]"
1 108 THR 0.073 0.042 19 0 "[ . 1 . 2]"
1 109 TYR 0.016 0.013 5 0 "[ . 1 . 2]"
1 110 ASN 0.078 0.034 18 0 "[ . 1 . 2]"
1 111 ILE 0.038 0.027 18 0 "[ . 1 . 2]"
1 112 MET 0.183 0.042 19 0 "[ . 1 . 2]"
1 113 ILE 0.108 0.024 18 0 "[ . 1 . 2]"
1 114 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLU 0.039 0.027 18 0 "[ . 1 . 2]"
1 116 ARG 0.352 0.103 19 0 "[ . 1 . 2]"
1 117 ARG 0.381 0.103 19 0 "[ . 1 . 2]"
1 118 ARG 0.477 0.095 6 0 "[ . 1 . 2]"
1 119 VAL 0.580 0.095 6 0 "[ . 1 . 2]"
1 120 ALA 0.005 0.003 10 0 "[ . 1 . 2]"
1 121 ALA 0.113 0.033 2 0 "[ . 1 . 2]"
1 122 ALA 0.046 0.039 14 0 "[ . 1 . 2]"
1 123 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 ILE 0.068 0.048 14 0 "[ . 1 . 2]"
1 125 ALA 0.157 0.030 19 0 "[ . 1 . 2]"
1 126 VAL 1.602 0.158 17 0 "[ . 1 . 2]"
1 127 PRO 0.117 0.064 8 0 "[ . 1 . 2]"
1 128 LEU 0.126 0.026 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 12 ARG H 1 13 THR H 1.800 . 3.500 3.185 2.639 3.540 0.040 7 0 "[ . 1 . 2]" 1
2 1 14 ALA H 1 15 ALA H 1.800 . 5.000 2.457 1.801 3.847 . 0 0 "[ . 1 . 2]" 1
3 1 17 ASP H 1 18 ALA H 1.800 . 5.000 2.957 2.232 4.358 . 0 0 "[ . 1 . 2]" 1
4 1 22 GLY H 1 23 GLY H 1.800 . 5.000 2.644 1.800 3.768 . 0 0 "[ . 1 . 2]" 1
5 1 27 ALA H 1 28 GLY H 1.800 . 5.000 3.884 2.602 4.525 . 0 0 "[ . 1 . 2]" 1
6 1 28 GLY H 1 29 MET H 1.800 . 5.000 3.147 2.378 4.033 . 0 0 "[ . 1 . 2]" 1
7 1 40 ASP H 1 41 ALA H 1.800 . 2.900 2.249 1.794 2.894 0.006 3 0 "[ . 1 . 2]" 1
8 1 44 GLY H 1 45 TRP H 1.800 . 5.000 4.529 4.419 4.600 . 0 0 "[ . 1 . 2]" 1
9 1 46 ASP H 1 47 VAL H 1.800 . 5.000 3.117 2.050 4.238 . 0 0 "[ . 1 . 2]" 1
10 1 48 THR H 1 49 LYS H 1.800 . 3.200 2.325 1.814 2.839 . 0 0 "[ . 1 . 2]" 1
11 1 51 GLU H 1 52 GLN H 1.800 . 5.000 2.743 2.032 4.025 . 0 0 "[ . 1 . 2]" 1
12 1 52 GLN H 1 53 ILE H 1.800 . 3.200 2.608 1.783 3.219 0.019 14 0 "[ . 1 . 2]" 1
13 1 55 ARG H 1 56 TYR H 1.800 . 5.000 2.668 2.474 2.876 . 0 0 "[ . 1 . 2]" 1
14 1 56 TYR H 1 57 SER H 1.800 . 3.200 2.550 2.342 2.719 . 0 0 "[ . 1 . 2]" 1
15 1 57 SER H 1 58 LEU H 1.800 . 3.200 2.459 2.177 2.644 . 0 0 "[ . 1 . 2]" 1
16 1 59 GLN H 1 60 ARG H 1.800 . 5.000 2.770 2.648 3.045 . 0 0 "[ . 1 . 2]" 1
17 1 60 ARG H 1 61 VAL H 1.800 . 3.200 2.542 2.481 2.665 . 0 0 "[ . 1 . 2]" 1
18 1 61 VAL H 1 62 PHE H 1.800 . 3.200 2.499 2.284 2.677 . 0 0 "[ . 1 . 2]" 1
19 1 62 PHE H 1 63 ASP H 1.800 . 3.200 2.610 2.462 2.745 . 0 0 "[ . 1 . 2]" 1
20 1 63 ASP H 1 64 ASN H 1.800 . 3.200 2.639 2.414 2.912 . 0 0 "[ . 1 . 2]" 1
21 1 65 ALA H 1 66 ASN H 1.800 . 3.200 2.703 2.584 3.155 . 0 0 "[ . 1 . 2]" 1
22 1 66 ASN H 1 67 ALA H 1.800 . 3.200 2.550 2.379 2.728 . 0 0 "[ . 1 . 2]" 1
23 1 67 ALA H 1 68 ILE H 1.800 . 3.000 2.191 1.930 2.393 . 0 0 "[ . 1 . 2]" 1
24 1 69 ASP H 1 70 THR H 1.800 . 3.000 2.303 1.926 2.776 . 0 0 "[ . 1 . 2]" 1
25 1 75 THR H 1 76 GLY H 1.800 . 5.000 3.043 2.287 4.524 . 0 0 "[ . 1 . 2]" 1
26 1 77 ALA H 1 78 ASP H 1.800 . 3.200 2.546 1.828 3.303 0.103 9 0 "[ . 1 . 2]" 1
27 1 84 ARG H 1 85 GLN H 1.800 . 3.200 2.765 2.558 2.977 . 0 0 "[ . 1 . 2]" 1
28 1 85 GLN H 1 86 LEU H 1.800 . 3.200 2.737 2.467 2.980 . 0 0 "[ . 1 . 2]" 1
29 1 86 LEU H 1 87 ARG H 1.800 . 3.200 2.551 2.429 2.693 . 0 0 "[ . 1 . 2]" 1
30 1 87 ARG H 1 88 GLU H 1.800 . 3.200 2.675 2.547 2.816 . 0 0 "[ . 1 . 2]" 1
31 1 88 GLU H 1 89 ALA H 1.800 . 3.200 2.588 2.466 2.760 . 0 0 "[ . 1 . 2]" 1
32 1 89 ALA H 1 90 LEU H 1.800 . 3.200 2.708 2.595 2.853 . 0 0 "[ . 1 . 2]" 1
33 1 90 LEU H 1 91 ARG H 1.800 . 3.200 2.639 2.480 2.842 . 0 0 "[ . 1 . 2]" 1
34 1 91 ARG H 1 92 GLY H 1.800 . 3.200 2.576 2.450 2.687 . 0 0 "[ . 1 . 2]" 1
35 1 92 GLY H 1 93 VAL H 1.800 . 3.200 2.623 2.518 2.789 . 0 0 "[ . 1 . 2]" 1
36 1 93 VAL H 1 94 ASN H 1.800 . 3.200 2.541 2.199 3.031 . 0 0 "[ . 1 . 2]" 1
37 1 94 ASN H 1 95 VAL H 1.800 . 3.200 2.362 1.756 2.859 0.044 10 0 "[ . 1 . 2]" 1
38 1 95 VAL H 1 96 VAL H 1.800 . 5.000 4.344 4.108 4.493 . 0 0 "[ . 1 . 2]" 1
39 1 96 VAL H 1 97 LEU H 1.800 . 5.000 4.269 4.078 4.502 . 0 0 "[ . 1 . 2]" 1
40 1 98 ASP H 1 99 THR H 1.800 . 5.000 4.236 4.042 4.476 . 0 0 "[ . 1 . 2]" 1
41 1 99 THR H 1 100 MET H 1.800 . 5.000 4.424 4.257 4.512 . 0 0 "[ . 1 . 2]" 1
42 1 105 ALA H 1 106 ILE H 1.800 . 3.200 2.710 2.623 2.765 . 0 0 "[ . 1 . 2]" 1
43 1 106 ILE H 1 107 ARG H 1.800 . 3.200 2.714 2.599 2.800 . 0 0 "[ . 1 . 2]" 1
44 1 107 ARG H 1 108 THR H 1.800 . 3.200 2.794 2.671 2.874 . 0 0 "[ . 1 . 2]" 1
45 1 108 THR H 1 109 TYR H 1.800 . 3.200 2.699 2.638 2.786 . 0 0 "[ . 1 . 2]" 1
46 1 109 TYR H 1 110 ASN H 1.800 . 3.200 2.728 2.637 2.900 . 0 0 "[ . 1 . 2]" 1
47 1 110 ASN H 1 111 ILE H 1.800 . 3.200 2.732 2.635 2.871 . 0 0 "[ . 1 . 2]" 1
48 1 111 ILE H 1 112 MET H 1.800 . 3.200 2.591 2.475 2.744 . 0 0 "[ . 1 . 2]" 1
49 1 112 MET H 1 113 ILE H 1.800 . 3.200 2.660 2.520 2.797 . 0 0 "[ . 1 . 2]" 1
50 1 113 ILE H 1 114 GLY H 1.800 . 3.200 2.595 2.432 2.765 . 0 0 "[ . 1 . 2]" 1
51 1 114 GLY H 1 115 GLU H 1.800 . 3.200 2.514 2.206 2.852 . 0 0 "[ . 1 . 2]" 1
52 1 115 GLU H 1 116 ARG H 1.800 . 3.200 2.529 1.788 3.006 0.012 6 0 "[ . 1 . 2]" 1
53 1 116 ARG H 1 117 ARG H 1.800 . 3.200 2.608 1.787 3.303 0.103 19 0 "[ . 1 . 2]" 1
54 1 120 ALA H 1 121 ALA H 1.800 . 5.000 4.426 4.293 4.508 . 0 0 "[ . 1 . 2]" 1
55 1 123 LEU H 1 124 ILE H 1.800 . 5.000 4.345 4.239 4.447 . 0 0 "[ . 1 . 2]" 1
56 1 93 VAL H 1 95 VAL H 1.800 . 5.000 3.452 3.145 3.871 . 0 0 "[ . 1 . 2]" 1
57 1 111 ILE H 1 113 ILE H 1.800 . 5.000 4.093 3.850 4.316 . 0 0 "[ . 1 . 2]" 1
58 1 112 MET H 1 114 GLY H 1.800 . 5.000 4.136 3.884 4.953 . 0 0 "[ . 1 . 2]" 1
59 1 2 ALA HA 1 3 GLN H 1.800 . 5.000 2.714 2.144 3.596 . 0 0 "[ . 1 . 2]" 1
60 1 11 PRO HA 1 12 ARG H 1.800 . 3.500 2.609 2.145 3.532 0.032 2 0 "[ . 1 . 2]" 1
61 1 12 ARG HA 1 13 THR H 1.800 . 3.500 2.415 2.144 2.988 . 0 0 "[ . 1 . 2]" 1
62 1 13 THR HA 1 14 ALA H 1.800 . 3.500 2.166 2.103 2.269 . 0 0 "[ . 1 . 2]" 1
63 1 14 ALA HA 1 15 ALA H 1.800 . 5.000 3.083 2.218 3.574 . 0 0 "[ . 1 . 2]" 1
64 1 15 ALA HA 1 16 ILE H 1.800 . 5.000 2.161 2.123 2.301 . 0 0 "[ . 1 . 2]" 1
65 1 16 ILE HA 1 17 ASP H 1.800 . 3.000 2.183 2.143 2.269 . 0 0 "[ . 1 . 2]" 1
66 1 18 ALA HA 1 19 TYR H 1.800 . 3.000 2.307 2.128 2.879 . 0 0 "[ . 1 . 2]" 1
67 1 19 TYR HA 1 20 GLY H 1.800 . 3.000 2.224 2.133 2.422 . 0 0 "[ . 1 . 2]" 1
68 1 20 GLY HA3 1 21 LYS H 1.800 . 5.000 2.537 2.128 3.494 . 0 0 "[ . 1 . 2]" 1
69 1 20 GLY HA2 1 21 LYS H 1.800 . 3.500 3.066 2.124 3.542 0.042 20 0 "[ . 1 . 2]" 1
70 1 21 LYS HA 1 22 GLY H 1.800 . 5.000 2.520 2.092 3.568 . 0 0 "[ . 1 . 2]" 1
71 1 22 GLY QA 1 23 GLY H 1.800 . 5.000 2.781 2.384 2.914 . 0 0 "[ . 1 . 2]" 1
72 1 23 GLY HA3 1 24 PHE H 1.800 . 5.000 2.330 2.126 2.849 . 0 0 "[ . 1 . 2]" 1
73 1 23 GLY HA2 1 24 PHE H 1.800 . 5.000 2.984 2.322 3.509 . 0 0 "[ . 1 . 2]" 1
74 1 24 PHE HA 1 25 TYR H 1.800 . 5.000 2.201 2.134 2.344 . 0 0 "[ . 1 . 2]" 1
75 1 25 TYR HA 1 26 PHE H 1.800 . 3.000 2.157 2.096 2.212 . 0 0 "[ . 1 . 2]" 1
76 1 26 PHE HA 1 27 ALA H 1.800 . 3.500 2.429 2.089 2.598 . 0 0 "[ . 1 . 2]" 1
77 1 28 GLY QA 1 29 MET H 1.800 . 5.000 2.489 2.141 2.927 . 0 0 "[ . 1 . 2]" 1
78 1 29 MET HA 1 30 SER H 1.800 . 2.900 2.315 2.139 2.499 . 0 0 "[ . 1 . 2]" 1
79 1 30 SER HA 1 31 HIS H 1.800 . 3.000 2.295 2.133 2.742 . 0 0 "[ . 1 . 2]" 1
80 1 31 HIS HA 1 32 GLN H 1.800 . 2.900 2.357 2.119 2.958 0.058 5 0 "[ . 1 . 2]" 1
81 1 32 GLN HA 1 33 GLY H 1.800 . 3.500 2.360 2.125 3.555 0.055 3 0 "[ . 1 . 2]" 1
82 1 33 GLY HA3 1 34 SER H 1.800 . 5.000 2.512 2.136 3.372 . 0 0 "[ . 1 . 2]" 1
83 1 33 GLY HA2 1 34 SER H 1.800 . 5.000 3.258 2.629 3.565 . 0 0 "[ . 1 . 2]" 1
84 1 34 SER HA 1 35 LEU H 1.800 . 3.000 2.225 2.138 2.331 . 0 0 "[ . 1 . 2]" 1
85 1 35 LEU HA 1 36 LEU H 1.800 . 3.000 2.209 2.138 2.312 . 0 0 "[ . 1 . 2]" 1
86 1 36 LEU HA 1 37 PHE H 1.800 . 3.000 2.174 2.131 2.215 . 0 0 "[ . 1 . 2]" 1
87 1 37 PHE HA 1 38 LEU H 1.800 . 3.000 2.177 2.119 2.220 . 0 0 "[ . 1 . 2]" 1
88 1 40 ASP HA 1 41 ALA H 1.800 . 5.000 3.522 3.050 3.578 . 0 0 "[ . 1 . 2]" 1
89 1 41 ALA HA 1 42 VAL H 1.800 . 3.000 2.389 2.175 2.650 . 0 0 "[ . 1 . 2]" 1
90 1 42 VAL HA 1 43 TRP H 1.800 . 3.500 2.158 2.119 2.209 . 0 0 "[ . 1 . 2]" 1
91 1 43 TRP HA 1 44 GLY H 1.800 . 3.000 2.411 2.204 2.614 . 0 0 "[ . 1 . 2]" 1
92 1 44 GLY HA3 1 45 TRP H 1.800 . 3.500 3.045 2.824 3.272 . 0 0 "[ . 1 . 2]" 1
93 1 44 GLY HA2 1 45 TRP H 1.800 . 3.500 2.213 2.139 2.371 . 0 0 "[ . 1 . 2]" 1
94 1 45 TRP HA 1 46 ASP H 1.800 . 3.000 2.317 2.153 2.712 . 0 0 "[ . 1 . 2]" 1
95 1 46 ASP HA 1 47 VAL H 1.800 . 3.000 2.743 2.170 3.136 0.136 17 0 "[ . 1 . 2]" 1
96 1 47 VAL HA 1 48 THR H 1.800 . 3.000 2.190 2.129 2.259 . 0 0 "[ . 1 . 2]" 1
97 1 48 THR HA 1 49 LYS H 1.800 . 5.000 3.433 3.132 3.573 . 0 0 "[ . 1 . 2]" 1
98 1 52 GLN HA 1 53 ILE H 1.800 . 5.000 3.125 2.646 3.478 . 0 0 "[ . 1 . 2]" 1
99 1 53 ILE HA 1 54 ASP H 1.800 . 3.000 2.156 2.095 2.307 . 0 0 "[ . 1 . 2]" 1
100 1 54 ASP HA 1 55 ARG H 1.800 . 3.500 2.613 2.431 2.819 . 0 0 "[ . 1 . 2]" 1
101 1 55 ARG HA 1 56 TYR H 1.800 . 5.000 3.508 3.361 3.554 . 0 0 "[ . 1 . 2]" 1
102 1 59 GLN HA 1 60 ARG H 1.800 . 5.000 3.528 3.488 3.570 . 0 0 "[ . 1 . 2]" 1
103 1 60 ARG HA 1 61 VAL H 1.800 . 5.000 3.448 3.358 3.503 . 0 0 "[ . 1 . 2]" 1
104 1 61 VAL HA 1 62 PHE H 1.800 . 5.000 3.554 3.531 3.581 . 0 0 "[ . 1 . 2]" 1
105 1 62 PHE HA 1 63 ASP H 1.800 . 5.000 3.490 3.421 3.516 . 0 0 "[ . 1 . 2]" 1
106 1 63 ASP HA 1 64 ASN H 1.800 . 5.000 3.527 3.444 3.559 . 0 0 "[ . 1 . 2]" 1
107 1 65 ALA HA 1 66 ASN H 1.800 . 5.000 3.428 3.205 3.606 . 0 0 "[ . 1 . 2]" 1
108 1 67 ALA HA 1 68 ILE H 1.800 . 5.000 3.273 3.102 3.483 . 0 0 "[ . 1 . 2]" 1
109 1 68 ILE HA 1 69 ASP H 1.800 . 3.000 2.169 2.091 2.282 . 0 0 "[ . 1 . 2]" 1
110 1 69 ASP HA 1 70 THR H 1.800 . 5.000 3.533 3.449 3.559 . 0 0 "[ . 1 . 2]" 1
111 1 70 THR HA 1 71 LEU H 1.800 . 2.900 2.169 2.138 2.218 . 0 0 "[ . 1 . 2]" 1
112 1 71 LEU HA 1 72 ILE H 1.800 . 3.000 2.139 2.121 2.174 . 0 0 "[ . 1 . 2]" 1
113 1 72 ILE HA 1 73 VAL H 1.800 . 3.000 2.146 2.112 2.168 . 0 0 "[ . 1 . 2]" 1
114 1 73 VAL HA 1 74 GLY H 1.800 . 3.000 2.128 2.110 2.153 . 0 0 "[ . 1 . 2]" 1
115 1 74 GLY HA3 1 75 THR H 1.800 . 5.000 3.383 3.277 3.455 . 0 0 "[ . 1 . 2]" 1
116 1 74 GLY HA2 1 75 THR H 1.800 . 5.000 2.173 2.134 2.221 . 0 0 "[ . 1 . 2]" 1
117 1 76 GLY HA3 1 77 ALA H 1.800 . 5.000 2.457 2.114 3.545 . 0 0 "[ . 1 . 2]" 1
118 1 76 GLY HA2 1 77 ALA H 1.800 . 5.000 3.061 2.098 3.562 . 0 0 "[ . 1 . 2]" 1
119 1 77 ALA HA 1 78 ASP H 1.800 . 5.000 3.365 2.333 3.574 . 0 0 "[ . 1 . 2]" 1
120 1 78 ASP HA 1 79 VAL H 1.800 . 3.000 2.410 2.166 2.877 . 0 0 "[ . 1 . 2]" 1
121 1 79 VAL HA 1 80 TRP H 1.800 . 3.000 2.158 2.109 2.213 . 0 0 "[ . 1 . 2]" 1
122 1 80 TRP HA 1 81 ILE H 1.800 . 2.900 2.153 2.119 2.228 . 0 0 "[ . 1 . 2]" 1
123 1 81 ILE HA 1 82 ALA H 1.800 . 3.000 2.129 2.098 2.169 . 0 0 "[ . 1 . 2]" 1
124 1 83 PRO HA 1 84 ARG H 1.800 . 3.000 2.249 2.115 2.427 . 0 0 "[ . 1 . 2]" 1
125 1 84 ARG HA 1 85 GLN H 1.800 . 5.000 3.525 3.373 3.578 . 0 0 "[ . 1 . 2]" 1
126 1 85 GLN HA 1 86 LEU H 1.800 . 5.000 3.535 3.450 3.562 . 0 0 "[ . 1 . 2]" 1
127 1 86 LEU HA 1 87 ARG H 1.800 . 5.000 3.528 3.504 3.557 . 0 0 "[ . 1 . 2]" 1
128 1 87 ARG HA 1 88 GLU H 1.800 . 5.000 3.538 3.505 3.573 . 0 0 "[ . 1 . 2]" 1
129 1 88 GLU HA 1 89 ALA H 1.800 . 5.000 3.511 3.448 3.542 . 0 0 "[ . 1 . 2]" 1
130 1 89 ALA HA 1 90 LEU H 1.800 . 5.000 3.548 3.512 3.569 . 0 0 "[ . 1 . 2]" 1
131 1 90 LEU HA 1 91 ARG H 1.800 . 5.000 3.531 3.452 3.575 . 0 0 "[ . 1 . 2]" 1
132 1 91 ARG HA 1 92 GLY H 1.800 . 3.500 3.470 3.372 3.522 0.022 16 0 "[ . 1 . 2]" 1
133 1 92 GLY QA 1 93 VAL H 1.800 . 5.000 2.801 2.723 2.912 . 0 0 "[ . 1 . 2]" 1
134 1 93 VAL HA 1 94 ASN H 1.800 . 3.500 3.242 2.946 3.544 0.044 17 0 "[ . 1 . 2]" 1
135 1 95 VAL HA 1 96 VAL H 1.800 . 3.000 2.142 2.116 2.162 . 0 0 "[ . 1 . 2]" 1
136 1 96 VAL HA 1 97 LEU H 1.800 . 2.900 2.170 2.132 2.257 . 0 0 "[ . 1 . 2]" 1
137 1 97 LEU HA 1 98 ASP H 1.800 . 2.900 2.145 2.095 2.193 . 0 0 "[ . 1 . 2]" 1
138 1 98 ASP HA 1 99 THR H 1.800 . 2.900 2.169 2.128 2.263 . 0 0 "[ . 1 . 2]" 1
139 1 99 THR HA 1 100 MET H 1.800 . 3.000 2.165 2.117 2.214 . 0 0 "[ . 1 . 2]" 1
140 1 101 GLN HA 1 102 THR H 1.800 . 3.500 2.357 2.252 2.487 . 0 0 "[ . 1 . 2]" 1
141 1 102 THR HA 1 103 GLY H 1.800 . 5.000 3.555 3.499 3.588 . 0 0 "[ . 1 . 2]" 1
142 1 107 ARG HA 1 108 THR H 1.800 . 5.000 3.560 3.542 3.581 . 0 0 "[ . 1 . 2]" 1
143 1 109 TYR HA 1 110 ASN H 1.800 . 5.000 3.547 3.531 3.569 . 0 0 "[ . 1 . 2]" 1
144 1 111 ILE HA 1 112 MET H 1.800 . 5.000 3.550 3.516 3.572 . 0 0 "[ . 1 . 2]" 1
145 1 114 GLY QA 1 115 GLU H 1.800 . 5.000 2.822 2.649 2.926 . 0 0 "[ . 1 . 2]" 1
146 1 115 GLU HA 1 116 ARG H 1.800 . 5.000 3.471 3.116 3.592 . 0 0 "[ . 1 . 2]" 1
147 1 116 ARG HA 1 117 ARG H 1.800 . 5.000 3.061 2.199 3.599 . 0 0 "[ . 1 . 2]" 1
148 1 117 ARG HA 1 118 ARG H 1.800 . 5.000 2.738 2.215 3.208 . 0 0 "[ . 1 . 2]" 1
149 1 118 ARG HA 1 119 VAL H 1.800 . 2.900 2.791 2.279 2.995 0.095 6 0 "[ . 1 . 2]" 1
150 1 119 VAL HA 1 120 ALA H 1.800 . 3.000 2.178 2.108 2.248 . 0 0 "[ . 1 . 2]" 1
151 1 120 ALA HA 1 121 ALA H 1.800 . 3.000 2.255 2.143 2.368 . 0 0 "[ . 1 . 2]" 1
152 1 121 ALA HA 1 122 ALA H 1.800 . 3.000 2.124 2.112 2.155 . 0 0 "[ . 1 . 2]" 1
153 1 122 ALA HA 1 123 LEU H 1.800 . 3.000 2.186 2.153 2.197 . 0 0 "[ . 1 . 2]" 1
154 1 123 LEU HA 1 124 ILE H 1.800 . 5.000 2.120 2.089 2.148 . 0 0 "[ . 1 . 2]" 1
155 1 124 ILE HA 1 125 ALA H 1.800 . 3.000 2.200 2.154 2.253 . 0 0 "[ . 1 . 2]" 1
156 1 125 ALA HA 1 126 VAL H 1.800 . 5.000 2.312 2.111 2.652 . 0 0 "[ . 1 . 2]" 1
157 1 47 VAL HA 1 49 LYS H 1.800 . 5.000 3.655 3.281 4.225 . 0 0 "[ . 1 . 2]" 1
158 1 59 GLN HA 1 61 VAL H 1.800 . 5.000 3.997 3.651 4.271 . 0 0 "[ . 1 . 2]" 1
159 1 64 ASN HA 1 66 ASN H 1.800 . 5.000 3.345 2.949 4.256 . 0 0 "[ . 1 . 2]" 1
160 1 65 ALA HA 1 67 ALA H 1.800 . 5.000 3.724 3.437 4.179 . 0 0 "[ . 1 . 2]" 1
161 1 68 ILE HA 1 70 THR H 1.800 . 5.000 3.897 3.501 4.408 . 0 0 "[ . 1 . 2]" 1
162 1 76 GLY QA 1 78 ASP H 1.800 . 5.000 3.723 3.101 4.746 . 0 0 "[ . 1 . 2]" 1
163 1 83 PRO HA 1 85 GLN H 1.800 . 5.000 4.232 3.688 4.576 . 0 0 "[ . 1 . 2]" 1
164 1 50 PRO HA 1 53 ILE H 1.800 . 5.000 4.306 3.620 5.028 0.028 14 0 "[ . 1 . 2]" 1
165 1 55 ARG HA 1 58 LEU H 1.800 . 5.000 3.392 2.992 3.791 . 0 0 "[ . 1 . 2]" 1
166 1 56 TYR HA 1 59 GLN H 1.800 . 5.000 3.782 3.270 4.343 . 0 0 "[ . 1 . 2]" 1
167 1 59 GLN HA 1 62 PHE H 1.800 . 5.000 3.442 2.944 3.846 . 0 0 "[ . 1 . 2]" 1
168 1 60 ARG HA 1 63 ASP H 1.800 . 5.000 3.492 3.064 3.949 . 0 0 "[ . 1 . 2]" 1
169 1 61 VAL HA 1 64 ASN H 1.800 . 5.000 3.523 3.244 3.690 . 0 0 "[ . 1 . 2]" 1
170 1 62 PHE HA 1 65 ALA H 1.800 . 5.000 3.710 3.291 4.133 . 0 0 "[ . 1 . 2]" 1
171 1 64 ASN HA 1 67 ALA H 1.800 . 5.000 3.898 3.641 4.074 . 0 0 "[ . 1 . 2]" 1
172 1 65 ALA HA 1 68 ILE H 1.800 . 5.000 3.201 2.735 3.902 . 0 0 "[ . 1 . 2]" 1
173 1 84 ARG HA 1 87 ARG H 1.800 . 5.000 3.391 2.988 3.729 . 0 0 "[ . 1 . 2]" 1
174 1 85 GLN HA 1 88 GLU H 1.800 . 5.000 3.677 3.147 4.135 . 0 0 "[ . 1 . 2]" 1
175 1 86 LEU HA 1 89 ALA H 1.800 . 5.000 3.466 3.220 3.699 . 0 0 "[ . 1 . 2]" 1
176 1 87 ARG HA 1 90 LEU H 1.800 . 5.000 3.599 3.329 3.952 . 0 0 "[ . 1 . 2]" 1
177 1 88 GLU HA 1 91 ARG H 1.800 . 5.000 3.335 2.847 3.825 . 0 0 "[ . 1 . 2]" 1
178 1 89 ALA HA 1 92 GLY H 1.800 . 5.000 3.549 3.302 3.996 . 0 0 "[ . 1 . 2]" 1
179 1 104 PRO HA 1 107 ARG H 1.800 . 5.000 3.491 3.250 3.905 . 0 0 "[ . 1 . 2]" 1
180 1 106 ILE HA 1 109 TYR H 1.800 . 5.000 3.662 3.511 3.798 . 0 0 "[ . 1 . 2]" 1
181 1 107 ARG HA 1 110 ASN H 1.800 . 5.000 3.707 3.236 4.041 . 0 0 "[ . 1 . 2]" 1
182 1 108 THR HA 1 111 ILE H 1.800 . 5.000 3.560 3.203 3.890 . 0 0 "[ . 1 . 2]" 1
183 1 109 TYR HA 1 112 MET H 1.800 . 5.000 3.454 3.183 3.711 . 0 0 "[ . 1 . 2]" 1
184 1 110 ASN HA 1 113 ILE H 1.800 . 5.000 3.847 3.541 4.121 . 0 0 "[ . 1 . 2]" 1
185 1 111 ILE HA 1 114 GLY H 1.800 . 5.000 3.792 3.345 4.197 . 0 0 "[ . 1 . 2]" 1
186 1 112 MET HA 1 115 GLU H 1.800 . 5.000 3.439 2.890 4.305 . 0 0 "[ . 1 . 2]" 1
187 1 113 ILE HA 1 116 ARG H 1.800 . 5.000 4.024 3.306 4.711 . 0 0 "[ . 1 . 2]" 1
188 1 85 GLN HA 1 89 ALA H 1.800 . 5.000 4.181 3.771 4.466 . 0 0 "[ . 1 . 2]" 1
189 1 91 ARG HA 1 95 VAL H 1.800 . 3.500 3.250 2.653 3.543 0.043 11 0 "[ . 1 . 2]" 1
190 1 104 PRO HA 1 108 THR H 1.800 . 5.000 3.970 3.829 4.174 . 0 0 "[ . 1 . 2]" 1
191 1 12 ARG QB 1 13 THR H 1.800 . 5.000 3.896 3.552 4.045 . 0 0 "[ . 1 . 2]" 1
192 1 14 ALA MB 1 15 ALA H 1.800 . 5.000 3.283 2.118 3.698 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA MB 1 16 ILE H 1.800 . 5.000 3.347 2.550 3.480 . 0 0 "[ . 1 . 2]" 1
194 1 17 ASP HB3 1 18 ALA H 1.800 . 5.000 2.739 1.749 4.354 0.051 15 0 "[ . 1 . 2]" 1
195 1 17 ASP HB2 1 18 ALA H 1.800 . 5.000 3.501 2.210 4.232 . 0 0 "[ . 1 . 2]" 1
196 1 18 ALA MB 1 19 TYR H 1.800 . 5.000 2.846 2.116 3.628 . 0 0 "[ . 1 . 2]" 1
197 1 19 TYR HB3 1 20 GLY H 1.800 . 5.000 4.168 3.880 4.456 . 0 0 "[ . 1 . 2]" 1
198 1 19 TYR HB2 1 20 GLY H 1.800 . 5.000 3.602 2.525 4.474 . 0 0 "[ . 1 . 2]" 1
199 1 25 TYR QB 1 26 PHE H 1.800 . 5.000 3.890 3.619 4.004 . 0 0 "[ . 1 . 2]" 1
200 1 26 PHE QB 1 27 ALA H 1.800 . 5.000 2.469 2.077 3.414 . 0 0 "[ . 1 . 2]" 1
201 1 30 SER QB 1 31 HIS H 1.800 . 5.000 3.145 1.871 3.980 . 0 0 "[ . 1 . 2]" 1
202 1 34 SER QB 1 35 LEU H 1.800 . 5.000 3.092 2.567 3.858 . 0 0 "[ . 1 . 2]" 1
203 1 35 LEU QB 1 36 LEU H 1.800 . 5.000 2.858 2.592 3.163 . 0 0 "[ . 1 . 2]" 1
204 1 36 LEU QB 1 37 PHE H 1.800 . 5.000 3.732 3.524 3.944 . 0 0 "[ . 1 . 2]" 1
205 1 37 PHE QB 1 38 LEU H 1.800 . 5.000 3.604 3.104 3.753 . 0 0 "[ . 1 . 2]" 1
206 1 39 PRO QB 1 40 ASP H 1.800 . 5.000 3.354 2.694 3.966 . 0 0 "[ . 1 . 2]" 1
207 1 41 ALA MB 1 42 VAL H 1.800 . 5.000 2.411 1.987 2.955 . 0 0 "[ . 1 . 2]" 1
208 1 43 TRP HB3 1 44 GLY H 1.800 . 5.000 2.455 2.070 2.973 . 0 0 "[ . 1 . 2]" 1
209 1 43 TRP HB2 1 44 GLY H 1.800 . 5.000 3.676 3.209 4.030 . 0 0 "[ . 1 . 2]" 1
210 1 47 VAL HB 1 48 THR H 1.800 . 5.000 4.336 4.037 4.490 . 0 0 "[ . 1 . 2]" 1
211 1 53 ILE HB 1 54 ASP H 1.800 . 5.000 4.359 4.234 4.435 . 0 0 "[ . 1 . 2]" 1
212 1 54 ASP HB3 1 55 ARG H 1.800 . 5.000 3.466 2.819 3.745 . 0 0 "[ . 1 . 2]" 1
213 1 54 ASP HB2 1 55 ARG H 1.800 . 5.000 3.086 1.845 3.899 . 0 0 "[ . 1 . 2]" 1
214 1 55 ARG QB 1 56 TYR H 1.800 . 5.000 2.753 2.496 3.550 . 0 0 "[ . 1 . 2]" 1
215 1 56 TYR HB3 1 57 SER H 1.800 . 5.000 3.163 2.558 4.068 . 0 0 "[ . 1 . 2]" 1
216 1 56 TYR HB2 1 57 SER H 1.800 . 5.000 3.456 2.530 4.072 . 0 0 "[ . 1 . 2]" 1
217 1 58 LEU QB 1 59 GLN H 1.800 . 5.000 3.619 3.460 3.739 . 0 0 "[ . 1 . 2]" 1
218 1 59 GLN HB3 1 60 ARG H 1.800 . 5.000 2.740 2.196 3.707 . 0 0 "[ . 1 . 2]" 1
219 1 59 GLN HB2 1 60 ARG H 1.800 . 5.000 3.690 2.646 3.923 . 0 0 "[ . 1 . 2]" 1
220 1 60 ARG HB3 1 61 VAL H 1.800 . 5.000 3.248 2.844 4.061 . 0 0 "[ . 1 . 2]" 1
221 1 60 ARG HB2 1 61 VAL H 1.800 . 5.000 3.683 2.803 4.181 . 0 0 "[ . 1 . 2]" 1
222 1 61 VAL HB 1 62 PHE H 1.800 . 3.500 2.540 2.344 2.699 . 0 0 "[ . 1 . 2]" 1
223 1 62 PHE QB 1 63 ASP H 1.800 . 4.500 2.774 2.570 3.057 . 0 0 "[ . 1 . 2]" 1
224 1 63 ASP HB3 1 64 ASN H 1.800 . 5.000 2.690 2.226 3.482 . 0 0 "[ . 1 . 2]" 1
225 1 63 ASP HB2 1 64 ASN H 1.800 . 5.000 3.755 2.389 4.091 . 0 0 "[ . 1 . 2]" 1
226 1 64 ASN HB3 1 65 ALA H 1.800 . 5.000 4.260 3.857 4.443 . 0 0 "[ . 1 . 2]" 1
227 1 64 ASN HB2 1 65 ALA H 1.800 . 5.000 4.171 3.854 4.488 . 0 0 "[ . 1 . 2]" 1
228 1 65 ALA MB 1 66 ASN H 1.800 . 5.000 2.937 2.250 3.375 . 0 0 "[ . 1 . 2]" 1
229 1 66 ASN QB 1 67 ALA H 1.800 . 5.000 3.254 2.623 3.803 . 0 0 "[ . 1 . 2]" 1
230 1 67 ALA MB 1 68 ILE H 1.800 . 5.000 3.236 2.784 3.478 . 0 0 "[ . 1 . 2]" 1
231 1 68 ILE HB 1 69 ASP H 1.800 . 5.000 4.286 3.543 4.452 . 0 0 "[ . 1 . 2]" 1
232 1 69 ASP HB3 1 70 THR H 1.800 . 5.000 2.509 2.051 4.152 . 0 0 "[ . 1 . 2]" 1
233 1 69 ASP HB2 1 70 THR H 1.800 . 5.000 3.724 2.797 4.095 . 0 0 "[ . 1 . 2]" 1
234 1 70 THR HB 1 71 LEU H 1.800 . 5.000 4.132 3.951 4.291 . 0 0 "[ . 1 . 2]" 1
235 1 71 LEU QB 1 72 ILE H 1.800 . 5.000 3.892 3.739 3.964 . 0 0 "[ . 1 . 2]" 1
236 1 77 ALA MB 1 78 ASP H 1.800 . 5.000 2.806 1.977 3.653 . 0 0 "[ . 1 . 2]" 1
237 1 78 ASP HB3 1 79 VAL H 1.800 . 5.000 3.644 2.341 4.423 . 0 0 "[ . 1 . 2]" 1
238 1 78 ASP HB2 1 79 VAL H 1.800 . 5.000 3.386 2.233 4.555 . 0 0 "[ . 1 . 2]" 1
239 1 79 VAL HB 1 80 TRP H 1.800 . 5.000 4.363 4.199 4.433 . 0 0 "[ . 1 . 2]" 1
240 1 80 TRP QB 1 81 ILE H 1.800 . 5.000 3.805 3.618 3.896 . 0 0 "[ . 1 . 2]" 1
241 1 83 PRO HB3 1 84 ARG H 1.800 . 5.000 3.281 2.930 3.740 . 0 0 "[ . 1 . 2]" 1
242 1 83 PRO HB2 1 84 ARG H 1.800 . 5.000 3.434 2.530 3.876 . 0 0 "[ . 1 . 2]" 1
243 1 85 GLN QB 1 86 LEU H 1.800 . 5.000 2.511 2.163 3.014 . 0 0 "[ . 1 . 2]" 1
244 1 87 ARG QB 1 88 GLU H 1.800 . 4.000 2.507 2.308 2.696 . 0 0 "[ . 1 . 2]" 1
245 1 88 GLU QB 1 89 ALA H 1.800 . 5.000 2.706 2.417 3.067 . 0 0 "[ . 1 . 2]" 1
246 1 89 ALA MB 1 90 LEU H 1.800 . 5.000 2.422 2.290 2.627 . 0 0 "[ . 1 . 2]" 1
247 1 90 LEU HB3 1 91 ARG H 1.800 . 5.000 3.573 3.269 3.887 . 0 0 "[ . 1 . 2]" 1
248 1 90 LEU HB2 1 91 ARG H 1.800 . 5.000 2.630 2.392 2.963 . 0 0 "[ . 1 . 2]" 1
249 1 96 VAL HB 1 97 LEU H 1.800 . 5.000 4.371 4.223 4.425 . 0 0 "[ . 1 . 2]" 1
250 1 97 LEU QB 1 98 ASP H 1.800 . 5.000 3.801 3.687 3.927 . 0 0 "[ . 1 . 2]" 1
251 1 98 ASP HB3 1 99 THR H 1.800 . 5.000 4.053 3.120 4.367 . 0 0 "[ . 1 . 2]" 1
252 1 98 ASP HB2 1 99 THR H 1.800 . 5.000 4.353 4.172 4.528 . 0 0 "[ . 1 . 2]" 1
253 1 99 THR HB 1 100 MET H 1.800 . 5.000 3.731 2.971 4.185 . 0 0 "[ . 1 . 2]" 1
254 1 100 MET HB3 1 101 GLN H 1.800 . 5.000 3.138 1.917 3.708 . 0 0 "[ . 1 . 2]" 1
255 1 100 MET HB2 1 101 GLN H 1.800 . 5.000 3.023 1.940 4.012 . 0 0 "[ . 1 . 2]" 1
256 1 101 GLN QB 1 102 THR H 1.800 . 5.000 2.587 2.210 3.532 . 0 0 "[ . 1 . 2]" 1
257 1 102 THR HB 1 103 GLY H 1.800 . 5.000 2.772 2.110 3.365 . 0 0 "[ . 1 . 2]" 1
258 1 104 PRO HB3 1 105 ALA H 1.800 . 5.000 4.106 3.945 4.251 . 0 0 "[ . 1 . 2]" 1
259 1 104 PRO HB2 1 105 ALA H 1.800 . 5.000 2.887 2.582 3.311 . 0 0 "[ . 1 . 2]" 1
260 1 105 ALA MB 1 106 ILE H 1.800 . 5.000 2.436 2.347 2.541 . 0 0 "[ . 1 . 2]" 1
261 1 106 ILE HB 1 107 ARG H 1.800 . 5.000 2.537 2.412 2.713 . 0 0 "[ . 1 . 2]" 1
262 1 108 THR HB 1 109 TYR H 1.800 . 3.500 2.723 2.433 3.475 . 0 0 "[ . 1 . 2]" 1
263 1 109 TYR HB3 1 110 ASN H 1.800 . 5.000 2.544 2.295 2.681 . 0 0 "[ . 1 . 2]" 1
264 1 109 TYR HB2 1 110 ASN H 1.800 . 5.000 3.883 3.710 3.985 . 0 0 "[ . 1 . 2]" 1
265 1 110 ASN HB3 1 111 ILE H 1.800 . 5.000 2.949 2.372 3.682 . 0 0 "[ . 1 . 2]" 1
266 1 110 ASN HB2 1 111 ILE H 1.800 . 5.000 3.517 2.684 4.080 . 0 0 "[ . 1 . 2]" 1
267 1 111 ILE HB 1 112 MET H 1.800 . 5.000 2.548 2.383 2.845 . 0 0 "[ . 1 . 2]" 1
268 1 115 GLU QB 1 116 ARG H 1.800 . 5.000 2.521 1.832 3.580 . 0 0 "[ . 1 . 2]" 1
269 1 119 VAL HB 1 120 ALA H 1.800 . 5.000 4.098 4.020 4.197 . 0 0 "[ . 1 . 2]" 1
270 1 120 ALA MB 1 121 ALA H 1.800 . 5.000 2.791 2.531 3.193 . 0 0 "[ . 1 . 2]" 1
271 1 121 ALA MB 1 122 ALA H 1.800 . 5.000 3.262 3.074 3.438 . 0 0 "[ . 1 . 2]" 1
272 1 122 ALA MB 1 123 LEU H 1.800 . 5.000 3.466 3.271 3.514 . 0 0 "[ . 1 . 2]" 1
273 1 123 LEU QB 1 124 ILE H 1.800 . 5.000 3.284 3.037 3.499 . 0 0 "[ . 1 . 2]" 1
274 1 125 ALA MB 1 126 VAL H 1.800 . 5.000 2.605 1.944 3.148 . 0 0 "[ . 1 . 2]" 1
275 1 12 ARG QG 1 13 THR H 1.800 . 5.000 4.020 3.232 4.730 . 0 0 "[ . 1 . 2]" 1
276 1 16 ILE MG 1 17 ASP H 1.800 . 5.000 2.744 2.312 3.281 . 0 0 "[ . 1 . 2]" 1
277 1 19 TYR QD 1 20 GLY H 1.800 . 5.000 3.429 2.733 4.538 . 0 0 "[ . 1 . 2]" 1
278 1 21 LYS QD 1 22 GLY H 1.800 . 5.000 4.205 2.144 5.045 0.045 4 0 "[ . 1 . 2]" 1
279 1 21 LYS QE 1 22 GLY H 1.800 . 5.000 4.593 3.104 5.081 0.081 12 0 "[ . 1 . 2]" 1
280 1 32 GLN QG 1 33 GLY H 1.800 . 5.000 3.816 2.970 4.677 . 0 0 "[ . 1 . 2]" 1
281 1 36 LEU MD2 1 37 PHE H 1.800 . 5.000 3.489 2.436 5.019 0.019 16 0 "[ . 1 . 2]" 1
282 1 39 PRO HD3 1 40 ASP H 1.800 . 5.000 4.134 3.861 4.549 . 0 0 "[ . 1 . 2]" 1
283 1 39 PRO HD2 1 40 ASP H 1.800 . 5.000 3.194 2.728 4.049 . 0 0 "[ . 1 . 2]" 1
284 1 39 PRO QG 1 40 ASP H 1.800 . 5.000 4.044 2.943 4.728 . 0 0 "[ . 1 . 2]" 1
285 1 42 VAL MG1 1 43 TRP H 1.800 . 5.000 2.803 2.368 3.245 . 0 0 "[ . 1 . 2]" 1
286 1 42 VAL MG2 1 43 TRP H 1.800 . 5.000 4.117 3.967 4.287 . 0 0 "[ . 1 . 2]" 1
287 1 45 TRP HD1 1 46 ASP H 1.800 . 5.000 2.889 1.898 4.659 . 0 0 "[ . 1 . 2]" 1
288 1 47 VAL MG1 1 48 THR H 1.800 . 5.000 3.055 2.382 3.530 . 0 0 "[ . 1 . 2]" 1
289 1 47 VAL MG2 1 48 THR H 1.800 . 5.000 4.115 3.816 4.312 . 0 0 "[ . 1 . 2]" 1
290 1 48 THR MG 1 49 LYS H 1.800 . 5.000 3.970 3.532 4.393 . 0 0 "[ . 1 . 2]" 1
291 1 50 PRO QD 1 51 GLU H 1.800 . 5.000 3.609 2.547 4.927 . 0 0 "[ . 1 . 2]" 1
292 1 50 PRO QG 1 51 GLU H 1.800 . 5.000 3.768 2.658 4.768 . 0 0 "[ . 1 . 2]" 1
293 1 51 GLU QG 1 52 GLN H 1.800 . 5.000 4.096 3.417 4.544 . 0 0 "[ . 1 . 2]" 1
294 1 52 GLN QG 1 53 ILE H 1.800 . 5.000 4.407 3.800 4.739 . 0 0 "[ . 1 . 2]" 1
295 1 53 ILE MG 1 54 ASP H 1.800 . 5.000 3.130 2.735 3.662 . 0 0 "[ . 1 . 2]" 1
296 1 55 ARG HG3 1 56 TYR H 1.800 . 5.000 4.494 3.696 5.020 0.020 8 0 "[ . 1 . 2]" 1
297 1 55 ARG HG2 1 56 TYR H 1.800 . 5.000 4.456 2.123 5.081 0.081 17 0 "[ . 1 . 2]" 1
298 1 61 VAL MG1 1 62 PHE H 1.800 . 5.000 3.419 3.261 3.553 . 0 0 "[ . 1 . 2]" 1
299 1 61 VAL MG2 1 62 PHE H 1.800 . 5.000 3.777 3.704 3.857 . 0 0 "[ . 1 . 2]" 1
300 1 68 ILE MG 1 69 ASP H 1.800 . 5.000 3.123 2.386 3.914 . 0 0 "[ . 1 . 2]" 1
301 1 70 THR MG 1 71 LEU H 1.800 . 5.000 2.691 2.427 2.959 . 0 0 "[ . 1 . 2]" 1
302 1 71 LEU MD1 1 72 ILE H 1.800 . 5.000 2.747 2.373 2.997 . 0 0 "[ . 1 . 2]" 1
303 1 71 LEU HG 1 72 ILE H 1.800 . 5.000 3.723 3.093 5.023 0.023 8 0 "[ . 1 . 2]" 1
304 1 72 ILE MG 1 73 VAL H 1.800 . 5.000 2.840 2.624 3.039 . 0 0 "[ . 1 . 2]" 1
305 1 73 VAL MG1 1 74 GLY H 1.800 . 5.000 2.875 2.621 3.123 . 0 0 "[ . 1 . 2]" 1
306 1 73 VAL MG2 1 74 GLY H 1.800 . 5.000 4.084 3.988 4.183 . 0 0 "[ . 1 . 2]" 1
307 1 79 VAL MG1 1 80 TRP H 1.800 . 5.000 3.394 2.813 4.241 . 0 0 "[ . 1 . 2]" 1
308 1 79 VAL MG2 1 80 TRP H 1.800 . 5.000 3.971 2.736 4.297 . 0 0 "[ . 1 . 2]" 1
309 1 80 TRP HD1 1 81 ILE H 1.800 . 5.000 3.862 2.966 4.281 . 0 0 "[ . 1 . 2]" 1
310 1 81 ILE MG 1 82 ALA H 1.800 . 5.000 3.348 2.802 4.162 . 0 0 "[ . 1 . 2]" 1
311 1 85 GLN QG 1 86 LEU H 1.800 . 5.000 4.006 3.382 4.431 . 0 0 "[ . 1 . 2]" 1
312 1 90 LEU MD1 1 91 ARG H 1.800 . 5.000 4.516 4.318 4.806 . 0 0 "[ . 1 . 2]" 1
313 1 93 VAL MG2 1 94 ASN H 1.800 . 5.000 3.583 1.772 4.270 0.028 4 0 "[ . 1 . 2]" 1
314 1 95 VAL MG1 1 96 VAL H 1.800 . 5.000 3.006 2.750 3.190 . 0 0 "[ . 1 . 2]" 1
315 1 95 VAL MG2 1 96 VAL H 1.800 . 5.000 4.140 4.021 4.233 . 0 0 "[ . 1 . 2]" 1
316 1 96 VAL QG 1 97 LEU H 1.800 . 5.000 3.106 2.686 3.355 . 0 0 "[ . 1 . 2]" 1
317 1 96 VAL MG2 1 97 LEU H 1.800 . 5.000 4.218 4.037 4.335 . 0 0 "[ . 1 . 2]" 1
318 1 97 LEU MD1 1 98 ASP H 1.800 . 5.000 2.792 1.974 4.548 . 0 0 "[ . 1 . 2]" 1
319 1 97 LEU HG 1 98 ASP H 1.800 . 5.000 3.228 2.853 3.722 . 0 0 "[ . 1 . 2]" 1
320 1 99 THR MG 1 100 MET H 1.800 . 4.000 3.232 2.387 3.986 . 0 0 "[ . 1 . 2]" 1
321 1 100 MET ME 1 101 GLN H 1.800 . 5.000 4.492 3.351 5.012 0.012 7 0 "[ . 1 . 2]" 1
322 1 102 THR MG 1 103 GLY H 1.800 . 5.000 3.775 3.270 4.275 . 0 0 "[ . 1 . 2]" 1
323 1 104 PRO HD3 1 105 ALA H 1.800 . 5.000 4.046 3.916 4.143 . 0 0 "[ . 1 . 2]" 1
324 1 104 PRO HD2 1 105 ALA H 1.800 . 5.000 2.880 2.683 3.164 . 0 0 "[ . 1 . 2]" 1
325 1 106 ILE MG 1 107 ARG H 1.800 . 5.000 3.318 3.147 3.530 . 0 0 "[ . 1 . 2]" 1
326 1 108 THR MG 1 109 TYR H 1.800 . 5.000 3.686 3.422 4.201 . 0 0 "[ . 1 . 2]" 1
327 1 109 TYR QD 1 110 ASN H 1.800 . 5.000 3.512 3.143 3.964 . 0 0 "[ . 1 . 2]" 1
328 1 111 ILE MG 1 112 MET H 1.800 . 5.000 3.350 2.975 3.514 . 0 0 "[ . 1 . 2]" 1
329 1 113 ILE MG 1 114 GLY H 1.800 . 5.000 2.789 2.187 3.711 . 0 0 "[ . 1 . 2]" 1
330 1 119 VAL MG2 1 120 ALA H 1.800 . 4.000 2.476 2.238 2.830 . 0 0 "[ . 1 . 2]" 1
331 1 123 LEU MD2 1 124 ILE H 1.800 . 5.000 3.597 3.424 3.756 . 0 0 "[ . 1 . 2]" 1
332 1 124 ILE MG 1 125 ALA H 1.800 . 5.000 2.505 2.233 2.979 . 0 0 "[ . 1 . 2]" 1
333 1 47 VAL MG1 1 49 LYS H 1.800 . 5.000 2.651 1.939 3.226 . 0 0 "[ . 1 . 2]" 1
334 1 68 ILE MG 1 70 THR H 1.800 . 5.000 3.458 2.835 4.796 . 0 0 "[ . 1 . 2]" 1
335 1 83 PRO HB3 1 85 GLN H 1.800 . 5.000 3.840 3.378 4.454 . 0 0 "[ . 1 . 2]" 1
336 1 83 PRO HB2 1 85 GLN H 1.800 . 5.000 3.124 2.428 3.692 . 0 0 "[ . 1 . 2]" 1
337 1 93 VAL MG2 1 95 VAL H 1.800 . 5.000 3.702 2.048 4.452 . 0 0 "[ . 1 . 2]" 1
338 1 55 ARG HA 1 58 LEU QB 1.800 . 5.000 2.674 2.119 3.337 . 0 0 "[ . 1 . 2]" 1
339 1 60 ARG HA 1 63 ASP HB3 1.800 . 5.000 2.900 2.303 4.431 . 0 0 "[ . 1 . 2]" 1
340 1 60 ARG HA 1 63 ASP HB2 1.800 . 5.000 3.312 2.505 4.151 . 0 0 "[ . 1 . 2]" 1
341 1 61 VAL HA 1 64 ASN QB 1.800 . 5.000 3.448 2.703 4.269 . 0 0 "[ . 1 . 2]" 1
342 1 62 PHE HA 1 65 ALA MB 1.800 . 5.000 2.272 1.838 2.632 . 0 0 "[ . 1 . 2]" 1
343 1 84 ARG HA 1 87 ARG HB3 1.800 . 3.500 2.551 2.180 2.982 . 0 0 "[ . 1 . 2]" 1
344 1 84 ARG HA 1 87 ARG HB2 1.800 . 3.500 3.302 2.738 3.556 0.056 20 0 "[ . 1 . 2]" 1
345 1 86 LEU HA 1 89 ALA MB 1.800 . 5.000 2.626 2.385 3.009 . 0 0 "[ . 1 . 2]" 1
346 1 107 ARG HA 1 110 ASN QB 1.800 . 5.000 2.904 2.256 3.375 . 0 0 "[ . 1 . 2]" 1
347 1 108 THR HA 1 111 ILE HB 1.800 . 5.000 2.992 2.698 3.453 . 0 0 "[ . 1 . 2]" 1
348 1 112 MET HA 1 115 GLU QB 1.800 . 5.000 2.819 1.887 4.410 . 0 0 "[ . 1 . 2]" 1
349 1 50 PRO HA 1 53 ILE MD 1.800 . 5.000 2.914 2.529 3.739 . 0 0 "[ . 1 . 2]" 1
350 1 50 PRO HA 1 53 ILE QG 1.800 . 5.000 2.851 2.372 3.473 . 0 0 "[ . 1 . 2]" 1
351 1 59 GLN HA 1 62 PHE QD 1.800 . 5.000 2.520 1.784 3.290 0.016 16 0 "[ . 1 . 2]" 1
352 1 65 ALA HA 1 68 ILE MD 1.800 . 5.000 2.770 1.946 3.811 . 0 0 "[ . 1 . 2]" 1
353 1 65 ALA HA 1 68 ILE MG 1.800 . 5.000 3.909 3.583 4.963 . 0 0 "[ . 1 . 2]" 1
354 1 90 LEU HA 1 93 VAL MG2 1.800 . 5.000 2.864 1.943 4.903 . 0 0 "[ . 1 . 2]" 1
355 1 101 GLN HA 1 104 PRO QD 1.800 . 5.000 4.194 3.987 4.875 . 0 0 "[ . 1 . 2]" 1
356 1 103 GLY QA 1 106 ILE MD 1.800 . 5.000 2.866 2.424 3.253 . 0 0 "[ . 1 . 2]" 1
357 1 104 PRO HA 1 107 ARG QG 1.800 . 5.000 3.984 2.654 4.963 . 0 0 "[ . 1 . 2]" 1
358 1 108 THR HA 1 111 ILE MD 1.800 . 5.000 2.883 1.951 4.590 . 0 0 "[ . 1 . 2]" 1
359 1 108 THR HA 1 111 ILE MG 1.800 . 5.000 4.300 4.010 4.758 . 0 0 "[ . 1 . 2]" 1
360 1 10 PHE H 1 42 VAL H 1.800 . 5.000 4.108 2.620 5.029 0.029 11 0 "[ . 1 . 2]" 1
361 1 24 PHE H 1 31 HIS H 1.800 . 5.000 3.583 2.511 5.000 0.000 19 0 "[ . 1 . 2]" 1
362 1 26 PHE H 1 29 MET H 1.800 . 5.000 3.944 3.127 5.005 0.005 3 0 "[ . 1 . 2]" 1
363 1 35 LEU H 1 123 LEU H 1.800 . 5.000 3.228 3.042 3.621 . 0 0 "[ . 1 . 2]" 1
364 1 37 PHE H 1 121 ALA H 1.800 . 5.000 3.331 3.050 3.729 . 0 0 "[ . 1 . 2]" 1
365 1 54 ASP H 1 57 SER H 1.800 . 5.000 3.129 2.680 3.398 . 0 0 "[ . 1 . 2]" 1
366 1 71 LEU H 1 96 VAL H 1.800 . 5.000 3.741 3.475 3.969 . 0 0 "[ . 1 . 2]" 1
367 1 72 ILE H 1 120 ALA H 1.800 . 5.000 3.595 3.397 3.852 . 0 0 "[ . 1 . 2]" 1
368 1 73 VAL H 1 100 MET H 1.800 . 5.000 3.735 3.470 3.998 . 0 0 "[ . 1 . 2]" 1
369 1 73 VAL H 1 98 ASP H 1.800 . 5.000 3.684 3.300 4.046 . 0 0 "[ . 1 . 2]" 1
370 1 75 THR H 1 100 MET H 1.800 . 5.000 3.549 3.172 4.023 . 0 0 "[ . 1 . 2]" 1
371 1 75 THR H 1 102 THR H 1.800 . 5.000 4.277 3.906 4.762 . 0 0 "[ . 1 . 2]" 1
372 1 76 GLY H 1 102 THR H 1.800 . 5.000 3.279 2.361 5.020 0.020 7 0 "[ . 1 . 2]" 1
373 1 23 GLY QA 1 32 GLN H 1.800 . 5.000 3.877 2.645 4.992 . 0 0 "[ . 1 . 2]" 1
374 1 23 GLY QA 1 33 GLY H 1.800 . 5.000 3.958 2.850 5.034 0.034 5 0 "[ . 1 . 2]" 1
375 1 25 TYR HA 1 31 HIS H 1.800 . 5.000 3.646 2.511 4.703 . 0 0 "[ . 1 . 2]" 1
376 1 34 SER HA 1 125 ALA H 1.800 . 5.000 3.191 2.447 3.524 . 0 0 "[ . 1 . 2]" 1
377 1 35 LEU HA 1 45 TRP H 1.800 . 5.000 2.647 2.259 3.319 . 0 0 "[ . 1 . 2]" 1
378 1 36 LEU HA 1 123 LEU H 1.800 . 5.000 3.593 3.317 3.887 . 0 0 "[ . 1 . 2]" 1
379 1 70 THR HA 1 96 VAL H 1.800 . 3.500 2.904 2.540 3.332 . 0 0 "[ . 1 . 2]" 1
380 1 71 LEU HA 1 120 ALA H 1.800 . 5.000 2.798 2.656 3.036 . 0 0 "[ . 1 . 2]" 1
381 1 72 ILE HA 1 98 ASP H 1.800 . 5.000 3.091 2.821 3.568 . 0 0 "[ . 1 . 2]" 1
382 1 73 VAL HA 1 122 ALA H 1.800 . 5.000 2.836 2.663 3.295 . 0 0 "[ . 1 . 2]" 1
383 1 12 ARG H 1 41 ALA HA 1.800 . 5.000 3.323 1.818 5.032 0.032 2 0 "[ . 1 . 2]" 1
384 1 17 ASP H 1 26 PHE HA 1.800 . 5.000 3.114 1.777 4.394 0.023 7 0 "[ . 1 . 2]" 1
385 1 26 PHE H 1 30 SER HA 1.800 . 5.000 3.600 3.099 4.323 . 0 0 "[ . 1 . 2]" 1
386 1 35 LEU H 1 124 ILE HA 1.800 . 5.000 3.718 3.456 4.012 . 0 0 "[ . 1 . 2]" 1
387 1 38 LEU H 1 42 VAL HA 1.800 . 5.000 2.748 2.453 3.084 . 0 0 "[ . 1 . 2]" 1
388 1 70 THR H 1 119 VAL HA 1.800 . 5.000 2.674 2.441 2.950 . 0 0 "[ . 1 . 2]" 1
389 1 71 LEU H 1 97 LEU HA 1.800 . 5.000 3.208 2.900 3.667 . 0 0 "[ . 1 . 2]" 1
390 1 72 ILE H 1 121 ALA HA 1.800 . 5.000 2.899 2.663 3.257 . 0 0 "[ . 1 . 2]" 1
391 1 73 VAL H 1 99 THR HA 1.800 . 5.000 2.776 2.388 3.395 . 0 0 "[ . 1 . 2]" 1
392 1 74 GLY H 1 123 LEU HA 1.800 . 5.000 2.650 2.349 3.109 . 0 0 "[ . 1 . 2]" 1
393 1 113 ILE HA 1 117 ARG H 1.800 . 5.000 3.639 2.606 5.024 0.024 18 0 "[ . 1 . 2]" 1
394 1 19 TYR HA 1 24 PHE HA 1.800 . 3.500 2.799 2.074 3.521 0.021 10 0 "[ . 1 . 2]" 1
395 1 23 GLY QA 1 32 GLN HA 1.800 . 5.000 3.057 1.795 5.014 0.014 5 0 "[ . 1 . 2]" 1
396 1 25 TYR HA 1 30 SER HA 1.800 . 5.000 2.521 1.972 3.426 . 0 0 "[ . 1 . 2]" 1
397 1 24 PHE QE 1 35 LEU H 1.800 . 5.000 3.762 2.922 4.504 . 0 0 "[ . 1 . 2]" 1
398 1 25 TYR QB 1 31 HIS H 1.800 . 5.000 4.562 2.889 5.066 0.066 15 0 "[ . 1 . 2]" 1
399 1 34 SER HG 1 47 VAL H 1.800 . 5.000 3.444 2.360 5.024 0.024 11 0 "[ . 1 . 2]" 1
400 1 34 SER QB 1 125 ALA H 1.800 . 5.000 4.131 3.400 5.030 0.030 19 0 "[ . 1 . 2]" 1
401 1 36 LEU QB 1 43 TRP H 1.800 . 5.000 3.077 2.479 3.785 . 0 0 "[ . 1 . 2]" 1
402 1 36 LEU QB 1 44 GLY H 1.800 . 5.000 4.617 3.721 5.021 0.021 8 0 "[ . 1 . 2]" 1
403 1 37 PHE QB 1 121 ALA H 1.800 . 4.500 2.593 2.194 3.058 . 0 0 "[ . 1 . 2]" 1
404 1 37 PHE QD 1 121 ALA H 1.800 . 5.000 4.376 3.897 4.980 . 0 0 "[ . 1 . 2]" 1
405 1 37 PHE QD 1 123 LEU H 1.800 . 5.000 3.383 3.079 3.752 . 0 0 "[ . 1 . 2]" 1
406 1 38 LEU MD1 1 43 TRP H 1.800 . 5.000 4.405 3.868 4.970 . 0 0 "[ . 1 . 2]" 1
407 1 38 LEU MD2 1 121 ALA H 1.800 . 5.000 3.964 3.489 4.625 . 0 0 "[ . 1 . 2]" 1
408 1 45 TRP HZ2 1 58 LEU H 1.800 . 5.000 4.465 3.688 5.002 0.002 2 0 "[ . 1 . 2]" 1
409 1 47 VAL MG1 1 52 GLN H 1.800 . 5.000 3.551 2.954 4.020 . 0 0 "[ . 1 . 2]" 1
410 1 47 VAL MG1 1 53 ILE H 1.800 . 5.000 3.868 3.069 4.748 . 0 0 "[ . 1 . 2]" 1
411 1 62 PHE HZ 1 90 LEU H 1.800 . 5.000 4.638 4.164 5.009 0.009 10 0 "[ . 1 . 2]" 1
412 1 68 ILE MG 1 120 ALA H 1.800 . 5.000 2.961 2.531 3.563 . 0 0 "[ . 1 . 2]" 1
413 1 71 LEU MD1 1 122 ALA H 1.800 . 5.000 3.195 2.927 3.510 . 0 0 "[ . 1 . 2]" 1
414 1 72 ILE MD 1 109 TYR H 1.800 . 5.000 3.301 2.960 3.815 . 0 0 "[ . 1 . 2]" 1
415 1 72 ILE MG 1 100 MET H 1.800 . 5.000 3.962 3.538 4.501 . 0 0 "[ . 1 . 2]" 1
416 1 75 THR HG1 1 80 TRP H 1.800 . 5.000 2.670 2.157 3.996 . 0 0 "[ . 1 . 2]" 1
417 1 75 THR MG 1 100 MET H 1.800 . 5.000 4.034 3.073 5.016 0.016 3 0 "[ . 1 . 2]" 1
418 1 75 THR MG 1 80 TRP H 1.800 . 5.000 2.545 1.778 4.263 0.022 7 0 "[ . 1 . 2]" 1
419 1 109 TYR QE 1 121 ALA H 1.800 . 5.000 3.629 3.107 4.332 . 0 0 "[ . 1 . 2]" 1
420 1 113 ILE MD 1 119 VAL H 1.800 . 5.000 3.593 2.764 4.735 . 0 0 "[ . 1 . 2]" 1
421 1 13 THR H 1 42 VAL MG2 1.800 . 5.000 2.849 1.987 3.517 . 0 0 "[ . 1 . 2]" 1
422 1 16 ILE H 1 110 ASN QD 1.800 . 5.000 4.184 2.647 5.034 0.034 18 0 "[ . 1 . 2]" 1
423 1 17 ASP H 1 26 PHE HB3 1.800 . 5.000 3.190 2.144 4.678 . 0 0 "[ . 1 . 2]" 1
424 1 17 ASP H 1 26 PHE HB2 1.800 . 5.000 3.826 2.582 5.031 0.031 10 0 "[ . 1 . 2]" 1
425 1 22 GLY H 1 128 LEU MD2 1.800 . 5.000 3.801 1.801 5.016 0.016 16 0 "[ . 1 . 2]" 1
426 1 33 GLY H 1 125 ALA MB 1.800 . 5.000 3.200 1.799 5.011 0.011 15 0 "[ . 1 . 2]" 1
427 1 34 SER H 1 125 ALA MB 1.800 . 5.000 4.756 4.158 5.018 0.018 14 0 "[ . 1 . 2]" 1
428 1 35 LEU H 1 45 TRP HE3 1.800 . 5.000 4.083 3.443 4.816 . 0 0 "[ . 1 . 2]" 1
429 1 36 LEU H 1 45 TRP QB 1.800 . 5.000 3.394 2.600 4.960 . 0 0 "[ . 1 . 2]" 1
430 1 38 LEU H 1 42 VAL MG2 1.800 . 5.000 3.723 3.231 4.319 . 0 0 "[ . 1 . 2]" 1
431 1 54 ASP H 1 58 LEU HG 1.800 . 5.000 3.550 2.961 4.259 . 0 0 "[ . 1 . 2]" 1
432 1 55 ARG H 1 86 LEU MD1 1.800 . 5.000 3.482 2.758 4.617 . 0 0 "[ . 1 . 2]" 1
433 1 59 GLN H 1 62 PHE QD 1.800 . 5.000 4.048 3.661 4.399 . 0 0 "[ . 1 . 2]" 1
434 1 64 ASN H 1 68 ILE MD 1.800 . 5.000 3.924 3.519 4.315 . 0 0 "[ . 1 . 2]" 1
435 1 65 ALA H 1 68 ILE MD 1.800 . 5.000 4.107 3.634 4.970 . 0 0 "[ . 1 . 2]" 1
436 1 71 LEU H 1 95 VAL MG1 1.800 . 5.000 3.304 2.882 3.820 . 0 0 "[ . 1 . 2]" 1
437 1 73 VAL H 1 99 THR MG 1.800 . 5.000 4.092 3.597 5.038 0.038 7 0 "[ . 1 . 2]" 1
438 1 74 GLY H 1 122 ALA MB 1.800 . 5.000 3.626 3.423 3.960 . 0 0 "[ . 1 . 2]" 1
439 1 74 GLY H 1 123 LEU MD2 1.800 . 5.000 2.430 2.131 2.850 . 0 0 "[ . 1 . 2]" 1
440 1 74 GLY H 1 124 ILE H 1.800 . 5.000 3.699 3.259 4.270 . 0 0 "[ . 1 . 2]" 1
441 1 75 THR H 1 101 GLN HA 1.800 . 5.000 3.231 2.783 3.750 . 0 0 "[ . 1 . 2]" 1
442 1 76 GLY H 1 102 THR HG1 1.800 . 5.000 3.454 2.345 4.674 . 0 0 "[ . 1 . 2]" 1
443 1 76 GLY H 1 102 THR MG 1.800 . 5.000 3.806 2.151 5.022 0.022 9 0 "[ . 1 . 2]" 1
444 1 82 ALA H 1 99 THR MG 1.800 . 5.000 3.206 1.950 4.032 . 0 0 "[ . 1 . 2]" 1
445 1 113 ILE H 1 119 VAL MG1 1.800 . 5.000 3.323 2.777 4.248 . 0 0 "[ . 1 . 2]" 1
446 1 12 ARG HA 1 42 VAL MG2 1.800 . 5.000 3.940 1.939 5.028 0.028 12 0 "[ . 1 . 2]" 1
447 1 14 ALA HA 1 113 ILE MG 1.800 . 5.000 4.078 2.311 5.013 0.013 16 0 "[ . 1 . 2]" 1
448 1 21 LYS HA 1 128 LEU MD1 1.800 . 5.000 3.867 2.805 5.018 0.018 14 0 "[ . 1 . 2]" 1
449 1 21 LYS HA 1 128 LEU MD2 1.800 . 5.000 3.392 1.782 5.026 0.026 18 0 "[ . 1 . 2]" 1
450 1 24 PHE QE 1 125 ALA HA 1.800 . 5.000 3.139 1.803 4.396 . 0 0 "[ . 1 . 2]" 1
451 1 24 PHE QE 1 34 SER HA 1.800 . 5.000 3.132 1.812 4.279 . 0 0 "[ . 1 . 2]" 1
452 1 24 PHE HZ 1 125 ALA HA 1.800 . 5.000 3.468 2.615 4.558 . 0 0 "[ . 1 . 2]" 1
453 1 33 GLY QA 1 125 ALA MB 1.800 . 5.000 2.857 1.774 3.508 0.026 5 0 "[ . 1 . 2]" 1
454 1 35 LEU MD2 1 44 GLY HA3 1.800 . 5.000 3.492 3.022 5.015 0.015 3 0 "[ . 1 . 2]" 1
455 1 35 LEU MD2 1 44 GLY HA2 1.800 . 5.000 2.348 1.795 4.066 0.005 11 0 "[ . 1 . 2]" 1
456 1 36 LEU MD2 1 122 ALA HA 1.800 . 5.000 2.949 2.167 4.906 . 0 0 "[ . 1 . 2]" 1
457 1 37 PHE HA 1 42 VAL MG1 1.800 . 5.000 2.813 2.439 3.255 . 0 0 "[ . 1 . 2]" 1
458 1 37 PHE HA 1 42 VAL MG2 1.800 . 5.000 2.808 2.170 3.696 . 0 0 "[ . 1 . 2]" 1
459 1 38 LEU MD2 1 61 VAL HA 1.800 . 5.000 4.022 3.215 4.634 . 0 0 "[ . 1 . 2]" 1
460 1 45 TRP HE1 1 57 SER HA 1.800 . 5.000 3.675 3.014 4.198 . 0 0 "[ . 1 . 2]" 1
461 1 47 VAL MG1 1 52 GLN HA 1.800 . 5.000 4.571 4.057 5.051 0.051 14 0 "[ . 1 . 2]" 1
462 1 47 VAL MG2 1 57 SER HA 1.800 . 5.000 3.879 3.110 4.747 . 0 0 "[ . 1 . 2]" 1
463 1 48 THR HA 1 124 ILE MG 1.800 . 5.000 3.319 2.368 4.374 . 0 0 "[ . 1 . 2]" 1
464 1 49 LYS HA 1 124 ILE MG 1.800 . 5.000 3.612 2.029 4.262 . 0 0 "[ . 1 . 2]" 1
465 1 50 PRO HA 1 124 ILE MD 1.800 . 5.000 2.584 1.943 3.802 . 0 0 "[ . 1 . 2]" 1
466 1 50 PRO QB 1 75 THR HA 1.800 . 5.000 3.666 2.519 4.965 . 0 0 "[ . 1 . 2]" 1
467 1 51 GLU HA 1 80 TRP HE1 1.800 . 4.000 3.234 2.439 3.965 . 0 0 "[ . 1 . 2]" 1
468 1 51 GLU HA 1 80 TRP HZ2 1.800 . 5.000 3.402 2.397 4.996 . 0 0 "[ . 1 . 2]" 1
469 1 47 VAL MG2 1 53 ILE HA 1.800 . 5.000 3.525 2.716 4.422 . 0 0 "[ . 1 . 2]" 1
470 1 54 ASP HA 1 86 LEU MD1 1.800 . 5.000 3.241 2.289 4.695 . 0 0 "[ . 1 . 2]" 1
471 1 54 ASP HA 1 86 LEU MD2 1.800 . 5.000 3.224 1.922 4.996 . 0 0 "[ . 1 . 2]" 1
472 1 55 ARG HA 1 62 PHE QE 1.800 . 5.000 2.275 1.811 3.008 . 0 0 "[ . 1 . 2]" 1
473 1 55 ARG HA 1 86 LEU MD1 1.800 . 5.000 3.329 2.656 4.490 . 0 0 "[ . 1 . 2]" 1
474 1 61 VAL HA 1 68 ILE MD 1.800 . 5.000 2.639 2.033 3.172 . 0 0 "[ . 1 . 2]" 1
475 1 62 PHE HA 1 93 VAL MG2 1.800 . 5.000 4.206 2.751 5.009 0.009 10 0 "[ . 1 . 2]" 1
476 1 62 PHE QE 1 90 LEU HA 1.800 . 5.000 3.206 2.593 3.905 . 0 0 "[ . 1 . 2]" 1
477 1 65 ALA HA 1 95 VAL MG2 1.800 . 5.000 3.277 2.582 4.612 . 0 0 "[ . 1 . 2]" 1
478 1 68 ILE MG 1 119 VAL HA 1.800 . 5.000 3.701 3.173 4.332 . 0 0 "[ . 1 . 2]" 1
479 1 70 THR HA 1 95 VAL MG1 1.800 . 5.000 3.944 3.408 4.593 . 0 0 "[ . 1 . 2]" 1
480 1 71 LEU MD1 1 121 ALA HA 1.800 . 5.000 3.472 3.154 3.954 . 0 0 "[ . 1 . 2]" 1
481 1 72 ILE MD 1 109 TYR HA 1.800 . 5.000 2.733 2.170 3.453 . 0 0 "[ . 1 . 2]" 1
482 1 72 ILE MG 1 105 ALA HA 1.800 . 5.000 2.570 2.023 2.969 . 0 0 "[ . 1 . 2]" 1
483 1 74 GLY QA 1 105 ALA MB 1.800 . 5.000 2.586 2.133 3.109 . 0 0 "[ . 1 . 2]" 1
484 1 74 GLY QA 1 123 LEU MD2 1.800 . 5.000 2.266 1.955 2.837 . 0 0 "[ . 1 . 2]" 1
485 1 75 THR HA 1 124 ILE MD 1.800 . 5.000 2.783 1.797 4.015 0.003 6 0 "[ . 1 . 2]" 1
486 1 76 GLY QA 1 126 VAL QG 1.800 . 5.000 2.425 1.786 3.732 0.014 4 0 "[ . 1 . 2]" 1
487 1 77 ALA HA 1 126 VAL QG 1.800 . 5.000 3.283 2.208 4.601 . 0 0 "[ . 1 . 2]" 1
488 1 78 ASP HA 1 101 GLN QE 1.800 . 5.000 3.508 1.934 4.997 . 0 0 "[ . 1 . 2]" 1
489 1 80 TRP HZ2 1 82 ALA HA 1.800 . 5.000 3.876 2.990 4.382 . 0 0 "[ . 1 . 2]" 1
490 1 87 ARG HA 1 90 LEU MD1 1.800 . 5.000 2.910 2.012 3.932 . 0 0 "[ . 1 . 2]" 1
491 1 87 ARG HA 1 97 LEU MD2 1.800 . 5.000 2.884 2.050 4.613 . 0 0 "[ . 1 . 2]" 1
492 1 109 TYR HA 1 119 VAL MG1 1.800 . 5.000 3.397 2.658 4.322 . 0 0 "[ . 1 . 2]" 1
493 1 109 TYR HA 1 119 VAL MG2 1.800 . 5.000 3.265 2.500 4.167 . 0 0 "[ . 1 . 2]" 1
494 1 113 ILE HA 1 119 VAL MG1 1.800 . 5.000 2.878 2.010 4.088 . 0 0 "[ . 1 . 2]" 1
495 1 70 THR HB 1 119 VAL HA 1.800 . 5.000 2.742 2.013 3.182 . 0 0 "[ . 1 . 2]" 1
496 1 9 HIS HD2 1 41 ALA MB 1.800 . 5.000 4.075 2.573 5.028 0.028 1 0 "[ . 1 . 2]" 1
497 1 10 PHE QD 1 42 VAL MG1 1.800 . 5.000 4.015 2.717 5.015 0.015 13 0 "[ . 1 . 2]" 1
498 1 10 PHE QB 1 42 VAL HB 1.800 . 5.000 2.841 1.797 3.900 0.003 9 0 "[ . 1 . 2]" 1
499 1 10 PHE QD 1 42 VAL HB 1.800 . 5.000 3.183 1.786 4.319 0.014 12 0 "[ . 1 . 2]" 1
500 1 13 THR HB 1 42 VAL MG2 1.800 . 5.000 3.164 1.767 5.031 0.033 12 0 "[ . 1 . 2]" 1
501 1 13 THR MG 1 26 PHE QD 1.800 . 5.000 3.652 2.097 4.759 . 0 0 "[ . 1 . 2]" 1
502 1 13 THR MG 1 37 PHE QD 1.800 . 5.000 4.233 2.793 5.018 0.018 20 0 "[ . 1 . 2]" 1
503 1 13 THR MG 1 37 PHE QE 1.800 . 5.000 3.475 2.228 4.652 . 0 0 "[ . 1 . 2]" 1
504 1 13 THR MG 1 42 VAL MG2 1.800 . 5.000 3.039 1.987 3.887 . 0 0 "[ . 1 . 2]" 1
505 1 14 ALA MB 1 113 ILE MD 1.800 . 5.000 3.914 1.930 5.008 0.008 15 0 "[ . 1 . 2]" 1
506 1 14 ALA MB 1 113 ILE MG 1.800 . 5.000 2.288 1.792 3.259 0.008 12 0 "[ . 1 . 2]" 1
507 1 16 ILE MG 1 24 PHE QD 1.800 . 5.000 2.834 2.187 4.508 . 0 0 "[ . 1 . 2]" 1
508 1 16 ILE MD 1 121 ALA MB 1.800 . 5.000 4.370 3.534 5.033 0.033 2 0 "[ . 1 . 2]" 1
509 1 16 ILE HB 1 106 ILE MG 1.800 . 5.000 2.575 1.793 3.714 0.007 13 0 "[ . 1 . 2]" 1
510 1 16 ILE MD 1 106 ILE MG 1.800 . 5.000 2.239 1.795 3.688 0.005 7 0 "[ . 1 . 2]" 1
511 1 16 ILE MD 1 109 TYR QD 1.800 . 5.000 3.684 2.425 5.013 0.013 5 0 "[ . 1 . 2]" 1
512 1 16 ILE MD 1 123 LEU MD1 1.800 . 5.000 2.385 1.901 3.352 . 0 0 "[ . 1 . 2]" 1
513 1 17 ASP QB 1 25 TYR QD 1.800 . 5.000 3.408 1.781 5.007 0.019 4 0 "[ . 1 . 2]" 1
514 1 18 ALA MB 1 25 TYR HB3 1.800 . 5.000 2.222 1.774 3.736 0.026 5 0 "[ . 1 . 2]" 1
515 1 18 ALA MB 1 25 TYR HB2 1.800 . 5.000 3.522 2.356 5.019 0.019 15 0 "[ . 1 . 2]" 1
516 1 18 ALA MB 1 25 TYR QD 1.800 . 5.000 2.594 1.771 4.008 0.029 14 0 "[ . 1 . 2]" 1
517 1 19 TYR QD 1 102 THR MG 1.800 . 5.000 3.660 2.733 4.672 . 0 0 "[ . 1 . 2]" 1
518 1 19 TYR QE 1 102 THR MG 1.800 . 5.000 3.303 2.317 5.009 0.009 9 0 "[ . 1 . 2]" 1
519 1 19 TYR HB3 1 106 ILE MD 1.800 . 5.000 3.538 2.078 5.018 0.018 17 0 "[ . 1 . 2]" 1
520 1 19 TYR HB2 1 106 ILE MD 1.800 . 5.000 3.538 2.304 4.732 . 0 0 "[ . 1 . 2]" 1
521 1 19 TYR QD 1 106 ILE MD 1.800 . 5.000 3.141 2.466 4.597 . 0 0 "[ . 1 . 2]" 1
522 1 19 TYR QD 1 126 VAL QG 1.800 . 5.000 3.813 2.177 4.792 . 0 0 "[ . 1 . 2]" 1
523 1 19 TYR QE 1 126 VAL MG1 1.800 . 5.000 3.963 2.930 5.017 0.017 13 0 "[ . 1 . 2]" 1
524 1 19 TYR QE 1 126 VAL MG2 1.800 . 5.000 3.467 2.245 5.002 0.002 8 0 "[ . 1 . 2]" 1
525 1 24 PHE QB 1 35 LEU MD1 1.800 . 5.000 2.528 1.916 4.706 . 0 0 "[ . 1 . 2]" 1
526 1 24 PHE QD 1 35 LEU MD1 1.800 . 5.000 3.042 2.697 4.706 . 0 0 "[ . 1 . 2]" 1
527 1 24 PHE QE 1 102 THR MG 1.800 . 5.000 2.724 1.984 3.697 . 0 0 "[ . 1 . 2]" 1
528 1 24 PHE HZ 1 102 THR MG 1.800 . 5.000 2.663 1.968 4.965 . 0 0 "[ . 1 . 2]" 1
529 1 24 PHE QE 1 106 ILE MD 1.800 . 5.000 2.842 1.801 5.011 0.011 11 0 "[ . 1 . 2]" 1
530 1 24 PHE HZ 1 123 LEU MD1 1.800 . 5.000 3.655 2.980 4.921 . 0 0 "[ . 1 . 2]" 1
531 1 24 PHE QE 1 123 LEU MD1 1.800 . 5.000 2.944 2.262 4.264 . 0 0 "[ . 1 . 2]" 1
532 1 24 PHE QE 1 123 LEU QB 1.800 . 5.000 2.814 2.480 3.114 . 0 0 "[ . 1 . 2]" 1
533 1 24 PHE QE 1 125 ALA MB 1.800 . 5.000 2.782 2.299 3.134 . 0 0 "[ . 1 . 2]" 1
534 1 24 PHE HZ 1 125 ALA MB 1.800 . 5.000 4.029 3.292 4.436 . 0 0 "[ . 1 . 2]" 1
535 1 25 TYR QD 1 30 SER QB 1.800 . 5.000 2.396 1.771 3.460 0.029 7 0 "[ . 1 . 2]" 1
536 1 26 PHE QE 1 35 LEU MD1 1.800 . 5.000 2.370 1.931 3.369 . 0 0 "[ . 1 . 2]" 1
537 1 26 PHE HZ 1 42 VAL MG1 1.800 . 5.000 3.830 2.264 5.013 0.013 9 0 "[ . 1 . 2]" 1
538 1 35 LEU QB 1 42 VAL MG1 1.800 . 5.000 2.849 2.409 3.547 . 0 0 "[ . 1 . 2]" 1
539 1 35 LEU MD1 1 37 PHE QE 1.800 . 5.000 2.981 2.509 4.447 . 0 0 "[ . 1 . 2]" 1
540 1 35 LEU MD1 1 37 PHE HZ 1.800 . 5.000 2.713 2.243 4.825 . 0 0 "[ . 1 . 2]" 1
541 1 35 LEU MD1 1 42 VAL MG1 1.800 . 5.000 2.968 2.273 3.602 . 0 0 "[ . 1 . 2]" 1
542 1 35 LEU MD2 1 42 VAL MG1 1.800 . 5.000 2.902 2.200 4.445 . 0 0 "[ . 1 . 2]" 1
543 1 36 LEU QB 1 43 TRP HB3 1.800 . 5.000 3.568 3.113 4.009 . 0 0 "[ . 1 . 2]" 1
544 1 36 LEU QB 1 43 TRP HB2 1.800 . 5.000 2.344 1.967 2.834 . 0 0 "[ . 1 . 2]" 1
545 1 36 LEU MD1 1 122 ALA MB 1.800 . 5.000 4.126 2.256 4.960 . 0 0 "[ . 1 . 2]" 1
546 1 36 LEU MD1 1 38 LEU MD1 1.800 . 5.000 3.589 2.829 4.591 . 0 0 "[ . 1 . 2]" 1
547 1 36 LEU MD1 1 38 LEU MD2 1.800 . 5.000 3.392 2.435 3.986 . 0 0 "[ . 1 . 2]" 1
548 1 36 LEU MD1 1 45 TRP HD1 1.800 . 5.000 2.890 2.500 4.537 . 0 0 "[ . 1 . 2]" 1
549 1 36 LEU MD1 1 45 TRP HE1 1.800 . 5.000 3.612 2.712 4.446 . 0 0 "[ . 1 . 2]" 1
550 1 36 LEU MD1 1 60 ARG QB 1.800 . 5.000 2.793 2.099 4.476 . 0 0 "[ . 1 . 2]" 1
551 1 36 LEU MD1 1 60 ARG QD 1.800 . 5.000 2.623 1.878 4.388 . 0 0 "[ . 1 . 2]" 1
552 1 36 LEU MD1 1 60 ARG QG 1.800 . 5.000 3.412 1.960 4.988 . 0 0 "[ . 1 . 2]" 1
553 1 36 LEU MD1 1 61 VAL MG2 1.800 . 5.000 2.881 2.212 4.132 . 0 0 "[ . 1 . 2]" 1
554 1 36 LEU MD2 1 122 ALA MB 1.800 . 5.000 2.838 2.144 4.143 . 0 0 "[ . 1 . 2]" 1
555 1 36 LEU MD2 1 38 LEU MD1 1.800 . 5.000 3.990 2.882 5.004 0.004 9 0 "[ . 1 . 2]" 1
556 1 36 LEU MD2 1 38 LEU MD2 1.800 . 5.000 2.929 1.909 4.020 . 0 0 "[ . 1 . 2]" 1
557 1 36 LEU MD2 1 60 ARG QB 1.800 . 5.000 4.228 2.630 5.006 0.006 5 0 "[ . 1 . 2]" 1
558 1 36 LEU MD2 1 60 ARG QD 1.800 . 5.000 4.416 1.819 5.024 0.024 7 0 "[ . 1 . 2]" 1
559 1 36 LEU MD2 1 61 VAL MG2 1.800 . 5.000 2.972 2.378 3.777 . 0 0 "[ . 1 . 2]" 1
560 1 36 LEU MD2 1 71 LEU MD1 1.800 . 5.000 3.746 2.832 4.494 . 0 0 "[ . 1 . 2]" 1
561 1 37 PHE QB 1 121 ALA MB 1.800 . 5.000 1.890 1.780 2.220 0.020 3 0 "[ . 1 . 2]" 1
562 1 37 PHE QD 1 42 VAL MG2 1.800 . 5.000 2.252 1.862 2.694 . 0 0 "[ . 1 . 2]" 1
563 1 37 PHE QD 1 121 ALA MB 1.800 . 5.000 2.851 2.271 3.430 . 0 0 "[ . 1 . 2]" 1
564 1 37 PHE QD 1 123 LEU MD1 1.800 . 5.000 2.947 2.465 3.347 . 0 0 "[ . 1 . 2]" 1
565 1 37 PHE QE 1 123 LEU MD1 1.800 . 5.000 2.202 1.880 2.494 . 0 0 "[ . 1 . 2]" 1
566 1 38 LEU QB 1 43 TRP HE1 1.800 . 5.000 3.977 2.825 4.889 . 0 0 "[ . 1 . 2]" 1
567 1 38 LEU MD1 1 41 ALA MB 1.800 . 5.000 3.835 2.215 4.880 . 0 0 "[ . 1 . 2]" 1
568 1 38 LEU MD1 1 43 TRP HD1 1.800 . 5.000 2.184 1.792 2.592 0.008 4 0 "[ . 1 . 2]" 1
569 1 38 LEU MD1 1 43 TRP HE1 1.800 . 5.000 2.871 2.094 3.808 . 0 0 "[ . 1 . 2]" 1
570 1 38 LEU MD1 1 60 ARG QB 1.800 . 5.000 4.387 2.875 5.027 0.027 18 0 "[ . 1 . 2]" 1
571 1 38 LEU MD1 1 60 ARG QD 1.800 . 5.000 3.773 2.524 4.945 . 0 0 "[ . 1 . 2]" 1
572 1 38 LEU MD1 1 60 ARG QG 1.800 . 5.000 3.843 2.763 5.017 0.017 2 0 "[ . 1 . 2]" 1
573 1 38 LEU MD1 1 64 ASN QD 1.800 . 5.000 3.360 1.966 4.515 . 0 0 "[ . 1 . 2]" 1
574 1 38 LEU MD2 1 120 ALA MB 1.800 . 5.000 2.081 1.797 2.647 0.003 10 0 "[ . 1 . 2]" 1
575 1 38 LEU MD2 1 64 ASN HB3 1.800 . 5.000 3.822 3.243 4.739 . 0 0 "[ . 1 . 2]" 1
576 1 38 LEU MD2 1 64 ASN HB2 1.800 . 5.000 3.929 3.201 4.979 . 0 0 "[ . 1 . 2]" 1
577 1 38 LEU MD2 1 68 ILE MD 1.800 . 5.000 2.283 1.798 3.442 0.002 10 0 "[ . 1 . 2]" 1
578 1 38 LEU HG 1 43 TRP HD1 1.800 . 5.000 3.003 2.552 3.559 . 0 0 "[ . 1 . 2]" 1
579 1 39 PRO QB 1 67 ALA MB 1.800 . 5.000 3.786 2.545 4.880 . 0 0 "[ . 1 . 2]" 1
580 1 39 PRO QG 1 67 ALA MB 1.800 . 5.000 3.020 2.169 3.916 . 0 0 "[ . 1 . 2]" 1
581 1 39 PRO QG 1 68 ILE MG 1.800 . 5.000 4.428 3.234 5.012 0.012 1 0 "[ . 1 . 2]" 1
582 1 41 ALA MB 1 43 TRP HD1 1.800 . 5.000 3.414 2.798 4.353 . 0 0 "[ . 1 . 2]" 1
583 1 41 ALA MB 1 43 TRP HE1 1.800 . 5.000 2.484 2.172 3.201 . 0 0 "[ . 1 . 2]" 1
584 1 41 ALA MB 1 43 TRP HZ2 1.800 . 5.000 3.838 3.119 4.835 . 0 0 "[ . 1 . 2]" 1
585 1 45 TRP HE1 1 47 VAL MG2 1.800 . 5.000 3.325 2.909 4.571 . 0 0 "[ . 1 . 2]" 1
586 1 45 TRP HE1 1 57 SER QB 1.800 . 5.000 3.330 2.834 4.692 . 0 0 "[ . 1 . 2]" 1
587 1 45 TRP HE1 1 58 LEU MD2 1.800 . 5.000 3.609 2.751 4.317 . 0 0 "[ . 1 . 2]" 1
588 1 45 TRP HH2 1 122 ALA MB 1.800 . 5.000 3.644 2.843 4.191 . 0 0 "[ . 1 . 2]" 1
589 1 45 TRP HH2 1 124 ILE QG 1.800 . 5.000 4.568 4.081 5.006 0.006 20 0 "[ . 1 . 2]" 1
590 1 45 TRP HH2 1 124 ILE MD 1.800 . 5.000 3.580 3.092 4.359 . 0 0 "[ . 1 . 2]" 1
591 1 45 TRP HH2 1 53 ILE MD 1.800 . 5.000 2.661 2.014 4.131 . 0 0 "[ . 1 . 2]" 1
592 1 45 TRP HH2 1 73 VAL MG1 1.800 . 5.000 3.901 2.950 4.534 . 0 0 "[ . 1 . 2]" 1
593 1 45 TRP HH2 1 73 VAL MG2 1.800 . 5.000 4.456 3.614 5.014 0.014 19 0 "[ . 1 . 2]" 1
594 1 45 TRP HZ2 1 47 VAL MG2 1.800 . 5.000 3.086 2.752 5.016 0.016 20 0 "[ . 1 . 2]" 1
595 1 45 TRP HZ2 1 58 LEU MD2 1.800 . 5.000 2.163 1.805 2.643 . 0 0 "[ . 1 . 2]" 1
596 1 47 VAL MG1 1 124 ILE MD 1.800 . 5.000 2.653 2.169 3.200 . 0 0 "[ . 1 . 2]" 1
597 1 47 VAL MG1 1 124 ILE MG 1.800 . 5.000 3.618 2.593 4.602 . 0 0 "[ . 1 . 2]" 1
598 1 47 VAL MG1 1 52 GLN HB3 1.800 . 5.000 2.853 1.783 4.652 0.017 4 0 "[ . 1 . 2]" 1
599 1 47 VAL MG1 1 52 GLN HB2 1.800 . 5.000 2.891 1.785 4.228 0.015 13 0 "[ . 1 . 2]" 1
600 1 47 VAL MG1 1 52 GLN QG 1.800 . 5.000 3.568 2.511 4.836 . 0 0 "[ . 1 . 2]" 1
601 1 47 VAL MG1 1 53 ILE MD 1.800 . 5.000 3.549 2.849 4.272 . 0 0 "[ . 1 . 2]" 1
602 1 47 VAL MG1 1 53 ILE MG 1.800 . 5.000 4.235 3.588 5.015 0.015 15 0 "[ . 1 . 2]" 1
603 1 47 VAL MG2 1 124 ILE MD 1.800 . 5.000 4.257 3.631 5.002 0.002 19 0 "[ . 1 . 2]" 1
604 1 47 VAL MG2 1 52 GLN QB 1.800 . 5.000 3.554 2.617 4.843 . 0 0 "[ . 1 . 2]" 1
605 1 47 VAL MG2 1 53 ILE MG 1.800 . 5.000 4.204 3.013 4.918 . 0 0 "[ . 1 . 2]" 1
606 1 47 VAL MG2 1 57 SER QB 1.800 . 5.000 2.315 1.776 3.318 0.024 5 0 "[ . 1 . 2]" 1
607 1 48 THR MG 1 124 ILE MG 1.800 . 5.000 4.129 2.442 5.048 0.048 14 0 "[ . 1 . 2]" 1
608 1 50 PRO QB 1 124 ILE MD 1.800 . 5.000 2.972 1.950 4.120 . 0 0 "[ . 1 . 2]" 1
609 1 50 PRO QD 1 124 ILE MD 1.800 . 5.000 3.341 2.768 4.565 . 0 0 "[ . 1 . 2]" 1
610 1 50 PRO QG 1 124 ILE MD 1.800 . 5.000 3.414 2.192 4.794 . 0 0 "[ . 1 . 2]" 1
611 1 50 PRO QG 1 75 THR MG 1.800 . 5.000 3.795 2.348 5.008 0.008 7 0 "[ . 1 . 2]" 1
612 1 51 GLU QB 1 80 TRP HE1 1.800 . 5.000 4.043 3.184 4.981 . 0 0 "[ . 1 . 2]" 1
613 1 51 GLU QG 1 80 TRP HE1 1.800 . 5.000 3.018 2.281 4.145 . 0 0 "[ . 1 . 2]" 1
614 1 53 ILE HB 1 80 TRP HZ2 1.800 . 5.000 4.276 2.692 5.016 0.016 5 0 "[ . 1 . 2]" 1
615 1 53 ILE MD 1 73 VAL MG1 1.800 . 5.000 2.428 1.907 3.106 . 0 0 "[ . 1 . 2]" 1
616 1 53 ILE MD 1 73 VAL MG2 1.800 . 5.000 3.499 2.925 4.379 . 0 0 "[ . 1 . 2]" 1
617 1 53 ILE MD 1 75 THR MG 1.800 . 5.000 3.110 2.001 4.955 . 0 0 "[ . 1 . 2]" 1
618 1 53 ILE MG 1 80 TRP HH2 1.800 . 5.000 3.562 2.631 4.252 . 0 0 "[ . 1 . 2]" 1
619 1 53 ILE MG 1 58 LEU MD1 1.800 . 5.000 2.304 1.975 2.765 . 0 0 "[ . 1 . 2]" 1
620 1 53 ILE MG 1 58 LEU MD2 1.800 . 5.000 2.277 2.005 2.667 . 0 0 "[ . 1 . 2]" 1
621 1 53 ILE MG 1 86 LEU MD1 1.800 . 5.000 3.656 2.609 4.423 . 0 0 "[ . 1 . 2]" 1
622 1 53 ILE MG 1 86 LEU MD2 1.800 . 5.000 2.385 1.800 3.359 0.000 4 0 "[ . 1 . 2]" 1
623 1 55 ARG QD 1 62 PHE HZ 1.800 . 5.000 4.209 2.517 5.029 0.029 5 0 "[ . 1 . 2]" 1
624 1 55 ARG QD 1 89 ALA MB 1.800 . 5.000 3.917 3.186 5.029 0.029 15 0 "[ . 1 . 2]" 1
625 1 58 LEU MD1 1 61 VAL MG1 1.800 . 5.000 3.675 3.156 4.284 . 0 0 "[ . 1 . 2]" 1
626 1 58 LEU MD1 1 62 PHE QE 1.800 . 5.000 3.154 2.510 4.086 . 0 0 "[ . 1 . 2]" 1
627 1 58 LEU MD1 1 86 LEU MD1 1.800 . 5.000 2.183 1.787 2.818 0.013 12 0 "[ . 1 . 2]" 1
628 1 58 LEU MD1 1 86 LEU MD2 1.800 . 5.000 2.499 1.965 3.189 . 0 0 "[ . 1 . 2]" 1
629 1 58 LEU MD1 1 90 LEU MD2 1.800 . 5.000 2.417 1.787 3.027 0.013 2 0 "[ . 1 . 2]" 1
630 1 58 LEU MD2 1 73 VAL MG2 1.800 . 5.000 3.850 3.199 4.349 . 0 0 "[ . 1 . 2]" 1
631 1 61 VAL MG1 1 120 ALA MB 1.800 . 5.000 4.002 3.379 4.797 . 0 0 "[ . 1 . 2]" 1
632 1 61 VAL MG1 1 65 ALA MB 1.800 . 5.000 3.570 2.955 4.322 . 0 0 "[ . 1 . 2]" 1
633 1 61 VAL MG1 1 68 ILE MD 1.800 . 5.000 2.170 1.879 2.593 . 0 0 "[ . 1 . 2]" 1
634 1 61 VAL MG1 1 71 LEU MD1 1.800 . 5.000 2.906 2.461 3.657 . 0 0 "[ . 1 . 2]" 1
635 1 61 VAL MG1 1 71 LEU MD2 1.800 . 5.000 2.137 1.786 2.984 0.014 14 0 "[ . 1 . 2]" 1
636 1 61 VAL MG1 1 90 LEU MD2 1.800 . 5.000 3.001 2.240 3.710 . 0 0 "[ . 1 . 2]" 1
637 1 62 PHE QD 1 90 LEU MD2 1.800 . 5.000 3.680 3.181 4.074 . 0 0 "[ . 1 . 2]" 1
638 1 62 PHE QD 1 93 VAL MG1 1.800 . 5.000 3.332 1.964 4.195 . 0 0 "[ . 1 . 2]" 1
639 1 62 PHE QD 1 93 VAL MG2 1.800 . 5.000 2.781 2.054 3.437 . 0 0 "[ . 1 . 2]" 1
640 1 62 PHE QE 1 86 LEU MD1 1.800 . 5.000 3.695 2.831 4.363 . 0 0 "[ . 1 . 2]" 1
641 1 62 PHE QE 1 89 ALA MB 1.800 . 5.000 3.421 2.753 4.589 . 0 0 "[ . 1 . 2]" 1
642 1 62 PHE QE 1 90 LEU MD2 1.800 . 5.000 2.592 2.224 2.865 . 0 0 "[ . 1 . 2]" 1
643 1 62 PHE QE 1 93 VAL MG1 1.800 . 5.000 4.113 2.714 5.014 0.014 15 0 "[ . 1 . 2]" 1
644 1 62 PHE QE 1 93 VAL MG2 1.800 . 5.000 2.821 1.949 4.242 . 0 0 "[ . 1 . 2]" 1
645 1 62 PHE HZ 1 86 LEU MD1 1.800 . 5.000 3.321 2.371 4.269 . 0 0 "[ . 1 . 2]" 1
646 1 62 PHE HZ 1 89 ALA MB 1.800 . 5.000 3.153 2.277 3.935 . 0 0 "[ . 1 . 2]" 1
647 1 62 PHE HZ 1 90 LEU MD2 1.800 . 5.000 2.676 2.338 3.176 . 0 0 "[ . 1 . 2]" 1
648 1 62 PHE HZ 1 90 LEU HG 1.800 . 5.000 3.608 3.029 3.931 . 0 0 "[ . 1 . 2]" 1
649 1 64 ASN QB 1 68 ILE MD 1.800 . 5.000 2.714 2.259 3.462 . 0 0 "[ . 1 . 2]" 1
650 1 64 ASN QB 1 67 ALA MB 1.800 . 5.000 3.280 1.830 4.299 . 0 0 "[ . 1 . 2]" 1
651 1 65 ALA MB 1 68 ILE MD 1.800 . 5.000 3.796 3.031 4.950 . 0 0 "[ . 1 . 2]" 1
652 1 65 ALA MB 1 90 LEU MD2 1.800 . 5.000 4.553 3.820 5.016 0.016 8 0 "[ . 1 . 2]" 1
653 1 65 ALA MB 1 93 VAL HB 1.800 . 5.000 3.566 2.067 4.878 . 0 0 "[ . 1 . 2]" 1
654 1 65 ALA MB 1 93 VAL MG1 1.800 . 5.000 2.717 1.883 4.118 . 0 0 "[ . 1 . 2]" 1
655 1 65 ALA MB 1 93 VAL MG2 1.800 . 5.000 3.439 2.442 4.309 . 0 0 "[ . 1 . 2]" 1
656 1 65 ALA MB 1 95 VAL MG1 1.800 . 5.000 4.312 3.763 5.008 0.008 9 0 "[ . 1 . 2]" 1
657 1 65 ALA MB 1 95 VAL MG2 1.800 . 5.000 2.515 1.957 3.263 . 0 0 "[ . 1 . 2]" 1
658 1 68 ILE MD 1 120 ALA MB 1.800 . 5.000 2.551 2.218 3.416 . 0 0 "[ . 1 . 2]" 1
659 1 68 ILE MD 1 95 VAL MG1 1.800 . 5.000 3.885 2.726 4.430 . 0 0 "[ . 1 . 2]" 1
660 1 68 ILE QG 1 120 ALA MB 1.800 . 5.000 2.386 2.020 4.418 . 0 0 "[ . 1 . 2]" 1
661 1 68 ILE MG 1 120 ALA MB 1.800 . 5.000 2.203 1.856 2.557 . 0 0 "[ . 1 . 2]" 1
662 1 68 ILE MG 1 95 VAL MG1 1.800 . 5.000 2.420 1.962 4.553 . 0 0 "[ . 1 . 2]" 1
663 1 70 THR HB 1 119 VAL HB 1.800 . 5.000 2.749 2.155 3.165 . 0 0 "[ . 1 . 2]" 1
664 1 70 THR HB 1 119 VAL MG1 1.800 . 5.000 4.257 3.791 4.595 . 0 0 "[ . 1 . 2]" 1
665 1 70 THR HB 1 119 VAL MG2 1.800 . 5.000 2.300 1.858 2.763 . 0 0 "[ . 1 . 2]" 1
666 1 70 THR MG 1 112 MET ME 1.800 . 5.000 3.254 1.931 5.025 0.025 2 0 "[ . 1 . 2]" 1
667 1 70 THR MG 1 119 VAL MG1 1.800 . 5.000 4.653 4.039 5.009 0.009 12 0 "[ . 1 . 2]" 1
668 1 70 THR MG 1 72 ILE QG 1.800 . 5.000 2.441 2.070 2.776 . 0 0 "[ . 1 . 2]" 1
669 1 70 THR MG 1 98 ASP QB 1.800 . 5.000 3.337 2.652 4.491 . 0 0 "[ . 1 . 2]" 1
670 1 71 LEU QB 1 95 VAL MG1 1.800 . 5.000 2.149 1.952 2.464 . 0 0 "[ . 1 . 2]" 1
671 1 71 LEU MD1 1 97 LEU MD1 1.800 . 5.000 3.888 2.411 4.445 . 0 0 "[ . 1 . 2]" 1
672 1 71 LEU MD1 1 120 ALA MB 1.800 . 5.000 2.303 2.023 3.706 . 0 0 "[ . 1 . 2]" 1
673 1 71 LEU MD1 1 122 ALA MB 1.800 . 5.000 2.635 2.309 3.015 . 0 0 "[ . 1 . 2]" 1
674 1 71 LEU MD1 1 73 VAL MG2 1.800 . 5.000 3.122 2.033 3.646 . 0 0 "[ . 1 . 2]" 1
675 1 71 LEU MD2 1 73 VAL MG2 1.800 . 5.000 2.985 2.678 4.243 . 0 0 "[ . 1 . 2]" 1
676 1 71 LEU HG 1 97 LEU MD1 1.800 . 5.000 3.016 1.951 4.007 . 0 0 "[ . 1 . 2]" 1
677 1 72 ILE HB 1 121 ALA MB 1.800 . 5.000 3.018 2.428 3.536 . 0 0 "[ . 1 . 2]" 1
678 1 72 ILE MD 1 100 MET ME 1.800 . 5.000 4.113 2.997 5.027 0.027 2 0 "[ . 1 . 2]" 1
679 1 72 ILE MD 1 108 THR HB 1.800 . 5.000 2.479 2.032 3.187 . 0 0 "[ . 1 . 2]" 1
680 1 72 ILE MD 1 108 THR MG 1.800 . 5.000 2.485 2.089 3.803 . 0 0 "[ . 1 . 2]" 1
681 1 72 ILE MD 1 109 TYR QB 1.800 . 5.000 2.801 2.209 3.675 . 0 0 "[ . 1 . 2]" 1
682 1 72 ILE MD 1 109 TYR QD 1.800 . 5.000 3.112 2.036 4.245 . 0 0 "[ . 1 . 2]" 1
683 1 72 ILE MD 1 112 MET ME 1.800 . 5.000 3.681 1.902 5.008 0.008 2 0 "[ . 1 . 2]" 1
684 1 72 ILE MD 1 119 VAL MG1 1.800 . 5.000 3.779 3.147 4.203 . 0 0 "[ . 1 . 2]" 1
685 1 72 ILE MD 1 119 VAL MG2 1.800 . 5.000 2.301 2.042 2.730 . 0 0 "[ . 1 . 2]" 1
686 1 72 ILE MD 1 121 ALA MB 1.800 . 5.000 3.570 2.812 4.046 . 0 0 "[ . 1 . 2]" 1
687 1 72 ILE QG 1 119 VAL MG1 1.800 . 5.000 4.663 4.009 5.005 0.005 5 0 "[ . 1 . 2]" 1
688 1 72 ILE MG 1 100 MET ME 1.800 . 5.000 3.210 2.058 4.297 . 0 0 "[ . 1 . 2]" 1
689 1 72 ILE MG 1 105 ALA MB 1.800 . 5.000 2.179 1.973 2.719 . 0 0 "[ . 1 . 2]" 1
690 1 72 ILE MG 1 108 THR MG 1.800 . 5.000 3.818 3.419 4.465 . 0 0 "[ . 1 . 2]" 1
691 1 72 ILE MG 1 123 LEU MD2 1.800 . 5.000 3.406 2.791 4.177 . 0 0 "[ . 1 . 2]" 1
692 1 73 VAL HB 1 99 THR MG 1.800 . 5.000 2.466 1.761 3.989 0.039 14 0 "[ . 1 . 2]" 1
693 1 73 VAL MG1 1 122 ALA MB 1.800 . 5.000 2.617 2.361 3.301 . 0 0 "[ . 1 . 2]" 1
694 1 73 VAL MG1 1 75 THR MG 1.800 . 5.000 2.339 1.804 3.646 . 0 0 "[ . 1 . 2]" 1
695 1 73 VAL MG1 1 99 THR MG 1.800 . 5.000 2.958 2.501 4.357 . 0 0 "[ . 1 . 2]" 1
696 1 73 VAL MG2 1 122 ALA MB 1.800 . 5.000 2.192 1.761 2.872 0.039 14 0 "[ . 1 . 2]" 1
697 1 73 VAL MG2 1 99 THR MG 1.800 . 5.000 3.527 2.841 4.397 . 0 0 "[ . 1 . 2]" 1
698 1 75 THR MG 1 80 TRP HB3 1.800 . 5.000 2.041 1.756 3.391 0.044 16 0 "[ . 1 . 2]" 1
699 1 75 THR MG 1 80 TRP HB2 1.800 . 5.000 3.155 2.240 4.028 . 0 0 "[ . 1 . 2]" 1
700 1 75 THR MG 1 80 TRP HE3 1.800 . 5.000 2.781 1.837 4.691 . 0 0 "[ . 1 . 2]" 1
701 1 75 THR MG 1 99 THR HB 1.800 . 5.000 4.160 2.676 5.022 0.022 3 0 "[ . 1 . 2]" 1
702 1 75 THR MG 1 124 ILE MD 1.800 . 5.000 3.119 1.873 5.010 0.010 7 0 "[ . 1 . 2]" 1
703 1 77 ALA MB 1 126 VAL MG1 1.800 . 5.000 2.498 1.779 4.165 0.021 5 0 "[ . 1 . 2]" 1
704 1 77 ALA MB 1 126 VAL MG2 1.800 . 5.000 3.983 2.809 5.008 0.008 7 0 "[ . 1 . 2]" 1
705 1 77 ALA MB 1 127 PRO QD 1.800 . 5.000 3.328 1.762 5.064 0.064 8 0 "[ . 1 . 2]" 1
706 1 79 VAL MG1 1 81 ILE MD 1.800 . 5.000 3.828 2.151 5.015 0.015 20 0 "[ . 1 . 2]" 1
707 1 79 VAL MG2 1 101 GLN HE21 1.800 . 5.000 3.061 1.921 4.723 . 0 0 "[ . 1 . 2]" 1
708 1 79 VAL MG2 1 101 GLN HE22 1.800 . 5.000 3.563 1.873 5.056 0.056 5 0 "[ . 1 . 2]" 1
709 1 79 VAL MG2 1 101 GLN QG 1.800 . 5.000 2.959 1.957 5.004 0.004 17 0 "[ . 1 . 2]" 1
710 1 80 TRP HE1 1 83 PRO QD 1.800 . 5.000 4.542 3.381 5.020 0.020 9 0 "[ . 1 . 2]" 1
711 1 80 TRP HE3 1 99 THR MG 1.800 . 5.000 3.177 2.552 3.914 . 0 0 "[ . 1 . 2]" 1
712 1 80 TRP HZ2 1 83 PRO HD3 1.800 . 5.000 3.028 2.296 3.648 . 0 0 "[ . 1 . 2]" 1
713 1 80 TRP HZ2 1 83 PRO HD2 1.800 . 5.000 3.859 2.775 4.650 . 0 0 "[ . 1 . 2]" 1
714 1 80 TRP HZ3 1 82 ALA MB 1.800 . 5.000 2.734 2.265 3.269 . 0 0 "[ . 1 . 2]" 1
715 1 80 TRP HZ3 1 86 LEU MD2 1.800 . 5.000 3.510 2.379 4.266 . 0 0 "[ . 1 . 2]" 1
716 1 80 TRP HZ3 1 99 THR MG 1.800 . 5.000 4.163 2.741 5.014 0.014 15 0 "[ . 1 . 2]" 1
717 1 80 TRP HH2 1 82 ALA MB 1.800 . 5.000 3.490 2.854 4.143 . 0 0 "[ . 1 . 2]" 1
718 1 80 TRP HH2 1 86 LEU MD2 1.800 . 5.000 2.793 1.825 4.223 . 0 0 "[ . 1 . 2]" 1
719 1 82 ALA MB 1 86 LEU MD2 1.800 . 5.000 2.414 1.914 3.503 . 0 0 "[ . 1 . 2]" 1
720 1 82 ALA MB 1 86 LEU HG 1.800 . 5.000 3.676 3.169 4.987 . 0 0 "[ . 1 . 2]" 1
721 1 82 ALA MB 1 97 LEU MD2 1.800 . 4.000 2.322 1.957 3.057 . 0 0 "[ . 1 . 2]" 1
722 1 82 ALA MB 1 99 THR MG 1.800 . 4.000 3.307 2.191 4.040 0.040 19 0 "[ . 1 . 2]" 1
723 1 83 PRO QD 1 86 LEU MD2 1.800 . 5.000 2.551 1.848 3.820 . 0 0 "[ . 1 . 2]" 1
724 1 85 GLN QB 1 89 ALA MB 1.800 . 5.000 4.524 3.967 5.022 0.022 17 0 "[ . 1 . 2]" 1
725 1 86 LEU QB 1 89 ALA MB 1.800 . 5.000 4.304 4.070 4.679 . 0 0 "[ . 1 . 2]" 1
726 1 86 LEU MD1 1 89 ALA MB 1.800 . 5.000 2.880 2.580 3.310 . 0 0 "[ . 1 . 2]" 1
727 1 86 LEU MD1 1 90 LEU MD1 1.800 . 5.000 3.382 2.915 4.032 . 0 0 "[ . 1 . 2]" 1
728 1 86 LEU MD1 1 90 LEU MD2 1.800 . 5.000 3.538 2.871 4.241 . 0 0 "[ . 1 . 2]" 1
729 1 86 LEU MD2 1 97 LEU MD2 1.800 . 5.000 3.669 2.674 4.553 . 0 0 "[ . 1 . 2]" 1
730 1 86 LEU HG 1 90 LEU MD1 1.800 . 5.000 2.891 2.070 3.648 . 0 0 "[ . 1 . 2]" 1
731 1 87 ARG QB 1 97 LEU MD2 1.800 . 5.000 3.276 2.063 4.996 . 0 0 "[ . 1 . 2]" 1
732 1 90 LEU MD1 1 95 VAL MG1 1.800 . 5.000 3.083 2.457 3.842 . 0 0 "[ . 1 . 2]" 1
733 1 90 LEU MD1 1 97 LEU MD1 1.800 . 5.000 2.249 1.969 3.841 . 0 0 "[ . 1 . 2]" 1
734 1 90 LEU MD2 1 93 VAL MG2 1.800 . 5.000 3.494 2.626 5.005 0.005 19 0 "[ . 1 . 2]" 1
735 1 90 LEU MD2 1 95 VAL HB 1.800 . 5.000 3.025 2.347 3.446 . 0 0 "[ . 1 . 2]" 1
736 1 90 LEU MD2 1 95 VAL MG1 1.800 . 5.000 2.793 2.304 3.420 . 0 0 "[ . 1 . 2]" 1
737 1 90 LEU MD2 1 95 VAL MG2 1.800 . 5.000 3.084 2.668 3.495 . 0 0 "[ . 1 . 2]" 1
738 1 93 VAL MG2 1 95 VAL MG2 1.800 . 5.000 3.030 1.785 3.946 0.015 5 0 "[ . 1 . 2]" 1
739 1 97 LEU MD1 1 99 THR MG 1.800 . 5.000 3.777 2.567 5.007 0.007 17 0 "[ . 1 . 2]" 1
740 1 97 LEU MD2 1 99 THR MG 1.800 . 5.000 3.702 2.201 4.994 . 0 0 "[ . 1 . 2]" 1
741 1 100 MET ME 1 105 ALA MB 1.800 . 5.000 4.045 2.798 5.032 0.032 6 0 "[ . 1 . 2]" 1
742 1 100 MET ME 1 108 THR MG 1.800 . 5.000 3.479 1.956 4.420 . 0 0 "[ . 1 . 2]" 1
743 1 100 MET QG 1 105 ALA MB 1.800 . 5.000 3.002 2.003 4.650 . 0 0 "[ . 1 . 2]" 1
744 1 102 THR HB 1 105 ALA MB 1.800 . 5.000 4.670 4.063 5.034 0.034 20 0 "[ . 1 . 2]" 1
745 1 102 THR MG 1 106 ILE MD 1.800 . 5.000 2.812 2.096 4.351 . 0 0 "[ . 1 . 2]" 1
746 1 102 THR MG 1 123 LEU MD1 1.800 . 5.000 3.156 2.160 4.422 . 0 0 "[ . 1 . 2]" 1
747 1 102 THR MG 1 123 LEU MD2 1.800 . 5.000 2.452 1.909 4.332 . 0 0 "[ . 1 . 2]" 1
748 1 102 THR MG 1 126 VAL QG 1.800 . 5.000 3.594 2.043 5.016 0.016 8 0 "[ . 1 . 2]" 1
749 1 105 ALA MB 1 123 LEU MD2 1.800 . 5.000 2.220 1.956 2.819 . 0 0 "[ . 1 . 2]" 1
750 1 106 ILE MD 1 123 LEU MD1 1.800 . 5.000 2.968 2.225 4.242 . 0 0 "[ . 1 . 2]" 1
751 1 106 ILE QG 1 123 LEU MD1 1.800 . 5.000 2.212 1.837 3.431 . 0 0 "[ . 1 . 2]" 1
752 1 106 ILE MG 1 110 ASN QD 1.800 . 5.000 3.613 1.957 4.972 . 0 0 "[ . 1 . 2]" 1
753 1 106 ILE MG 1 123 LEU MD1 1.800 . 5.000 3.649 3.188 4.528 . 0 0 "[ . 1 . 2]" 1
754 1 107 ARG QD 1 111 ILE MD 1.800 . 5.000 4.078 2.828 5.005 0.005 11 0 "[ . 1 . 2]" 1
755 1 107 ARG QG 1 111 ILE MD 1.800 . 5.000 3.428 2.138 5.004 0.004 15 0 "[ . 1 . 2]" 1
756 1 108 THR MG 1 111 ILE MG 1.800 . 5.000 4.471 4.054 4.986 . 0 0 "[ . 1 . 2]" 1
757 1 108 THR MG 1 112 MET ME 1.800 . 5.000 3.485 1.788 5.042 0.042 19 0 "[ . 1 . 2]" 1
758 1 108 THR MG 1 112 MET QG 1.800 . 5.000 3.194 2.137 4.551 . 0 0 "[ . 1 . 2]" 1
759 1 109 TYR QD 1 113 ILE MD 1.800 . 5.000 4.038 3.403 4.809 . 0 0 "[ . 1 . 2]" 1
760 1 109 TYR QD 1 119 VAL MG1 1.800 . 5.000 2.705 2.075 3.477 . 0 0 "[ . 1 . 2]" 1
761 1 109 TYR QD 1 119 VAL MG2 1.800 . 5.000 2.506 1.797 3.545 0.003 5 0 "[ . 1 . 2]" 1
762 1 109 TYR QD 1 121 ALA MB 1.800 . 5.000 2.624 2.222 2.928 . 0 0 "[ . 1 . 2]" 1
763 1 109 TYR QE 1 113 ILE MD 1.800 . 5.000 2.781 2.204 3.447 . 0 0 "[ . 1 . 2]" 1
764 1 109 TYR QE 1 119 VAL MG1 1.800 . 5.000 2.541 2.094 3.498 . 0 0 "[ . 1 . 2]" 1
765 1 109 TYR QE 1 119 VAL MG2 1.800 . 5.000 3.383 2.287 4.323 . 0 0 "[ . 1 . 2]" 1
766 1 109 TYR QE 1 121 ALA MB 1.800 . 5.000 3.277 2.627 3.825 . 0 0 "[ . 1 . 2]" 1
767 1 111 ILE MG 1 115 GLU QG 1.800 . 5.000 4.074 2.394 5.027 0.027 18 0 "[ . 1 . 2]" 1
768 1 112 MET ME 1 119 VAL MG1 1.800 . 5.000 4.040 2.507 5.028 0.028 13 0 "[ . 1 . 2]" 1
769 1 112 MET ME 1 119 VAL MG2 1.800 . 5.000 3.677 1.792 4.833 0.008 18 0 "[ . 1 . 2]" 1
770 1 113 ILE MD 1 119 VAL MG1 1.800 . 4.000 2.442 2.042 3.122 . 0 0 "[ . 1 . 2]" 1
771 1 113 ILE MD 1 119 VAL MG2 1.800 . 5.000 4.352 3.757 5.012 0.012 11 0 "[ . 1 . 2]" 1
772 1 121 ALA MB 1 123 LEU MD1 1.800 . 5.000 2.945 2.660 3.566 . 0 0 "[ . 1 . 2]" 1
773 1 121 ALA MB 1 123 LEU MD2 1.800 . 5.000 2.656 2.399 3.021 . 0 0 "[ . 1 . 2]" 1
774 1 121 ALA MB 1 123 LEU HG 1.800 . 5.000 2.498 2.206 3.021 . 0 0 "[ . 1 . 2]" 1
775 1 47 VAL MG1 1 48 THR HA 1.800 . 5.000 4.027 3.445 4.498 . 0 0 "[ . 1 . 2]" 1
776 1 38 LEU MD1 1 39 PRO QD 1.800 . 5.000 3.679 3.485 3.851 . 0 0 "[ . 1 . 2]" 1
777 1 38 LEU MD2 1 39 PRO HD3 1.800 . 5.000 2.972 2.532 3.632 . 0 0 "[ . 1 . 2]" 1
778 1 38 LEU MD2 1 39 PRO HD2 1.800 . 5.000 3.100 2.612 3.534 . 0 0 "[ . 1 . 2]" 1
779 1 61 VAL MG1 1 62 PHE HA 1.800 . 5.000 3.513 3.385 3.622 . 0 0 "[ . 1 . 2]" 1
780 1 67 ALA MB 1 68 ILE MG 1.800 . 5.000 4.887 2.842 5.046 0.046 7 0 "[ . 1 . 2]" 1
781 1 82 ALA HA 1 83 PRO HD3 1.800 . 4.000 2.046 1.838 2.527 . 0 0 "[ . 1 . 2]" 1
782 1 82 ALA HA 1 83 PRO HD2 1.800 . 4.000 2.444 1.911 2.727 . 0 0 "[ . 1 . 2]" 1
783 1 89 ALA MB 1 90 LEU MD2 1.800 . 5.000 3.743 3.477 4.100 . 0 0 "[ . 1 . 2]" 1
784 1 111 ILE MG 1 112 MET HA 1.800 . 5.000 3.269 2.887 3.512 . 0 0 "[ . 1 . 2]" 1
785 1 38 LEU HA 1 38 LEU MD2 1.800 . 3.200 2.021 1.922 2.108 . 0 0 "[ . 1 . 2]" 1
786 1 45 TRP HA 1 45 TRP HD1 1.800 . 5.000 2.164 1.958 2.722 . 0 0 "[ . 1 . 2]" 1
787 1 58 LEU HA 1 58 LEU MD2 1.800 . 3.200 2.013 1.947 2.072 . 0 0 "[ . 1 . 2]" 1
788 1 71 LEU HA 1 71 LEU MD1 1.800 . 3.200 2.143 2.034 2.755 . 0 0 "[ . 1 . 2]" 1
789 1 86 LEU HA 1 86 LEU MD1 1.800 . 3.200 2.064 1.982 2.138 . 0 0 "[ . 1 . 2]" 1
790 1 81 ILE H 1 81 ILE HB 1.800 . 3.000 2.636 2.436 2.930 . 0 0 "[ . 1 . 2]" 1
791 1 90 LEU HA 1 90 LEU MD2 1.800 . 3.200 1.992 1.924 2.106 . 0 0 "[ . 1 . 2]" 1
792 1 119 VAL H 1 119 VAL MG1 1.800 . 3.200 2.103 1.895 2.265 . 0 0 "[ . 1 . 2]" 1
793 1 119 VAL HA 1 119 VAL HB 1.800 . 2.800 2.439 2.392 2.494 . 0 0 "[ . 1 . 2]" 1
794 1 119 VAL HA 1 119 VAL MG2 1.800 . 3.200 2.389 2.319 2.438 . 0 0 "[ . 1 . 2]" 1
795 1 93 VAL H 1 93 VAL MG2 1.800 . 4.000 2.168 1.837 3.856 . 0 0 "[ . 1 . 2]" 1
796 1 113 ILE HA 1 113 ILE MD 1.800 . 3.200 1.938 1.868 1.996 . 0 0 "[ . 1 . 2]" 1
797 1 12 ARG HA 1 12 ARG QG 1.800 . 5.000 2.461 2.328 2.915 . 0 0 "[ . 1 . 2]" 1
798 1 12 ARG H 1 12 ARG QG 1.800 . 5.000 3.560 2.577 4.278 . 0 0 "[ . 1 . 2]" 1
799 1 13 THR H 1 13 THR MG 1.800 . 5.000 3.227 1.918 3.946 . 0 0 "[ . 1 . 2]" 1
800 1 14 ALA H 1 14 ALA MB 1.800 . 5.000 2.407 2.296 2.653 . 0 0 "[ . 1 . 2]" 1
801 1 15 ALA H 1 15 ALA MB 1.800 . 5.000 2.420 2.298 2.708 . 0 0 "[ . 1 . 2]" 1
802 1 16 ILE HA 1 16 ILE MG 1.800 . 5.000 2.389 2.344 2.545 . 0 0 "[ . 1 . 2]" 1
803 1 18 ALA H 1 18 ALA MB 1.800 . 5.000 2.658 2.197 2.853 . 0 0 "[ . 1 . 2]" 1
804 1 19 TYR H 1 19 TYR QD 1.800 . 5.000 3.513 2.169 4.412 . 0 0 "[ . 1 . 2]" 1
805 1 21 LYS HA 1 21 LYS QD 1.800 . 5.000 3.760 1.678 4.411 0.122 15 0 "[ . 1 . 2]" 1
806 1 21 LYS HA 1 21 LYS QE 1.800 . 5.000 4.403 3.469 5.218 0.218 13 0 "[ . 1 . 2]" 1
807 1 21 LYS QB 1 21 LYS QE 1.800 . 5.000 2.973 1.770 3.850 0.030 12 0 "[ . 1 . 2]" 1
808 1 24 PHE H 1 24 PHE QD 1.800 . 5.000 2.809 2.320 3.679 . 0 0 "[ . 1 . 2]" 1
809 1 26 PHE H 1 26 PHE QD 1.800 . 5.000 2.704 2.324 3.118 . 0 0 "[ . 1 . 2]" 1
810 1 29 MET H 1 29 MET HG3 1.800 . 5.000 3.739 2.543 4.814 . 0 0 "[ . 1 . 2]" 1
811 1 29 MET H 1 29 MET HG2 1.800 . 5.000 3.576 2.416 4.997 . 0 0 "[ . 1 . 2]" 1
812 1 32 GLN H 1 32 GLN QG 1.800 . 5.000 2.928 1.958 4.080 . 0 0 "[ . 1 . 2]" 1
813 1 35 LEU HA 1 35 LEU MD1 1.800 . 5.000 3.751 1.854 3.871 . 0 0 "[ . 1 . 2]" 1
814 1 35 LEU HA 1 35 LEU MD2 1.800 . 5.000 2.031 1.910 2.883 . 0 0 "[ . 1 . 2]" 1
815 1 35 LEU HB3 1 35 LEU MD1 1.800 . 5.000 2.397 2.362 2.451 . 0 0 "[ . 1 . 2]" 1
816 1 35 LEU HB2 1 35 LEU MD1 1.800 . 5.000 2.354 2.287 3.191 . 0 0 "[ . 1 . 2]" 1
817 1 35 LEU H 1 35 LEU MD1 1.800 . 5.000 4.147 3.876 4.334 . 0 0 "[ . 1 . 2]" 1
818 1 36 LEU HA 1 36 LEU MD1 1.800 . 5.000 3.738 2.044 3.898 . 0 0 "[ . 1 . 2]" 1
819 1 36 LEU HA 1 36 LEU MD2 1.800 . 5.000 2.260 1.912 3.871 . 0 0 "[ . 1 . 2]" 1
820 1 36 LEU HB3 1 36 LEU MD1 1.800 . 5.000 2.429 2.318 3.201 . 0 0 "[ . 1 . 2]" 1
821 1 36 LEU HB3 1 36 LEU MD2 1.800 . 5.000 2.366 2.286 2.460 . 0 0 "[ . 1 . 2]" 1
822 1 36 LEU HB2 1 36 LEU MD1 1.800 . 5.000 2.317 2.244 2.391 . 0 0 "[ . 1 . 2]" 1
823 1 36 LEU HB2 1 36 LEU MD2 1.800 . 5.000 3.158 2.382 3.212 . 0 0 "[ . 1 . 2]" 1
824 1 37 PHE H 1 37 PHE QD 1.800 . 5.000 2.345 2.157 2.639 . 0 0 "[ . 1 . 2]" 1
825 1 38 LEU HA 1 38 LEU MD1 1.800 . 5.000 3.860 3.829 3.886 . 0 0 "[ . 1 . 2]" 1
826 1 38 LEU HB3 1 38 LEU MD1 1.800 . 5.000 2.366 2.322 2.391 . 0 0 "[ . 1 . 2]" 1
827 1 38 LEU HB3 1 38 LEU MD2 1.800 . 5.000 2.390 2.360 2.443 . 0 0 "[ . 1 . 2]" 1
828 1 38 LEU HB2 1 38 LEU MD1 1.800 . 5.000 2.344 2.316 2.386 . 0 0 "[ . 1 . 2]" 1
829 1 38 LEU HB2 1 38 LEU MD2 1.800 . 5.000 3.200 3.197 3.203 . 0 0 "[ . 1 . 2]" 1
830 1 38 LEU H 1 38 LEU QB 1.800 . 5.000 2.448 2.338 2.512 . 0 0 "[ . 1 . 2]" 1
831 1 38 LEU H 1 38 LEU MD2 1.800 . 5.000 3.530 3.180 3.854 . 0 0 "[ . 1 . 2]" 1
832 1 38 LEU H 1 38 LEU HG 1.800 . 5.000 2.660 2.378 3.085 . 0 0 "[ . 1 . 2]" 1
833 1 41 ALA H 1 41 ALA MB 1.800 . 5.000 2.697 2.383 2.900 . 0 0 "[ . 1 . 2]" 1
834 1 42 VAL HA 1 42 VAL MG1 1.800 . 5.000 2.375 2.341 2.397 . 0 0 "[ . 1 . 2]" 1
835 1 42 VAL HA 1 42 VAL MG2 1.800 . 5.000 2.431 2.400 2.476 . 0 0 "[ . 1 . 2]" 1
836 1 42 VAL H 1 42 VAL MG2 1.800 . 5.000 2.387 2.223 2.799 . 0 0 "[ . 1 . 2]" 1
837 1 43 TRP H 1 43 TRP HD1 1.800 . 5.000 3.094 2.691 3.500 . 0 0 "[ . 1 . 2]" 1
838 1 45 TRP HA 1 45 TRP HE1 1.800 . 5.000 4.614 4.471 4.916 . 0 0 "[ . 1 . 2]" 1
839 1 46 ASP H 1 46 ASP HB3 1.800 . 3.500 2.649 2.501 3.082 . 0 0 "[ . 1 . 2]" 1
840 1 46 ASP H 1 46 ASP HB2 1.800 . 3.500 2.699 2.421 2.984 . 0 0 "[ . 1 . 2]" 1
841 1 47 VAL HA 1 47 VAL MG1 1.800 . 5.000 2.423 2.379 2.501 . 0 0 "[ . 1 . 2]" 1
842 1 47 VAL HA 1 47 VAL MG2 1.800 . 5.000 2.375 2.290 2.446 . 0 0 "[ . 1 . 2]" 1
843 1 47 VAL H 1 47 VAL HB 1.800 . 3.500 2.693 2.444 3.652 0.152 10 0 "[ . 1 . 2]" 1
844 1 47 VAL H 1 47 VAL MG1 1.800 . 5.000 3.857 3.764 4.048 . 0 0 "[ . 1 . 2]" 1
845 1 47 VAL H 1 47 VAL MG2 1.800 . 5.000 2.740 2.399 3.023 . 0 0 "[ . 1 . 2]" 1
846 1 48 THR HA 1 48 THR MG 1.800 . 5.000 2.292 2.206 2.363 . 0 0 "[ . 1 . 2]" 1
847 1 48 THR H 1 48 THR MG 1.800 . 5.000 3.614 2.639 3.949 . 0 0 "[ . 1 . 2]" 1
848 1 49 LYS H 1 49 LYS QG 1.800 . 5.000 2.969 2.483 4.175 . 0 0 "[ . 1 . 2]" 1
849 1 51 GLU HA 1 51 GLU QG 1.800 . 5.000 2.509 2.304 2.905 . 0 0 "[ . 1 . 2]" 1
850 1 51 GLU H 1 51 GLU QG 1.800 . 5.000 3.382 1.835 4.522 . 0 0 "[ . 1 . 2]" 1
851 1 52 GLN H 1 52 GLN HG3 1.800 . 5.000 3.729 2.208 4.945 . 0 0 "[ . 1 . 2]" 1
852 1 52 GLN H 1 52 GLN HG2 1.800 . 5.000 3.829 2.469 4.722 . 0 0 "[ . 1 . 2]" 1
853 1 53 ILE HA 1 53 ILE QG 1.800 . 5.000 2.416 2.345 2.493 . 0 0 "[ . 1 . 2]" 1
854 1 53 ILE HA 1 53 ILE MG 1.800 . 5.000 2.395 2.340 2.474 . 0 0 "[ . 1 . 2]" 1
855 1 53 ILE HB 1 53 ILE MD 1.800 . 5.000 2.431 2.410 2.455 . 0 0 "[ . 1 . 2]" 1
856 1 53 ILE H 1 53 ILE MD 1.800 . 5.000 3.668 3.473 3.861 . 0 0 "[ . 1 . 2]" 1
857 1 53 ILE H 1 53 ILE HG13 1.800 . 5.000 2.264 1.871 2.569 . 0 0 "[ . 1 . 2]" 1
858 1 53 ILE H 1 53 ILE HG12 1.800 . 5.000 3.494 3.141 3.750 . 0 0 "[ . 1 . 2]" 1
859 1 53 ILE H 1 53 ILE MG 1.800 . 5.000 3.782 3.743 3.829 . 0 0 "[ . 1 . 2]" 1
860 1 55 ARG HA 1 55 ARG QD 1.800 . 5.000 3.885 2.053 4.444 . 0 0 "[ . 1 . 2]" 1
861 1 55 ARG QB 1 55 ARG HE 1.800 . 5.000 2.749 1.741 4.002 0.059 2 0 "[ . 1 . 2]" 1
862 1 55 ARG HB3 1 55 ARG QD 1.800 . 5.000 2.729 2.251 3.535 . 0 0 "[ . 1 . 2]" 1
863 1 55 ARG HB2 1 55 ARG QD 1.800 . 5.000 2.633 2.270 3.530 . 0 0 "[ . 1 . 2]" 1
864 1 55 ARG H 1 55 ARG QG 1.800 . 5.000 2.933 1.771 4.036 0.029 5 0 "[ . 1 . 2]" 1
865 1 56 TYR HA 1 56 TYR QD 1.800 . 5.000 2.585 2.087 2.954 . 0 0 "[ . 1 . 2]" 1
866 1 56 TYR H 1 56 TYR QD 1.800 . 5.000 3.627 2.600 4.238 . 0 0 "[ . 1 . 2]" 1
867 1 58 LEU QB 1 58 LEU MD2 1.800 . 5.000 2.310 2.278 2.333 . 0 0 "[ . 1 . 2]" 1
868 1 58 LEU HB3 1 58 LEU MD1 1.800 . 5.000 2.378 2.351 2.427 . 0 0 "[ . 1 . 2]" 1
869 1 58 LEU HB2 1 58 LEU MD1 1.800 . 5.000 2.320 2.289 2.343 . 0 0 "[ . 1 . 2]" 1
870 1 58 LEU H 1 58 LEU QB 1.800 . 3.500 2.413 2.356 2.473 . 0 0 "[ . 1 . 2]" 1
871 1 58 LEU H 1 58 LEU MD1 1.800 . 5.000 3.793 3.700 3.903 . 0 0 "[ . 1 . 2]" 1
872 1 58 LEU H 1 58 LEU MD2 1.800 . 5.000 3.591 3.480 3.807 . 0 0 "[ . 1 . 2]" 1
873 1 58 LEU H 1 58 LEU HG 1.800 . 5.000 2.656 2.518 2.934 . 0 0 "[ . 1 . 2]" 1
874 1 59 GLN HA 1 59 GLN QG 1.800 . 5.000 2.571 2.365 3.012 . 0 0 "[ . 1 . 2]" 1
875 1 59 GLN H 1 59 GLN QG 1.800 . 5.000 3.744 2.117 4.062 . 0 0 "[ . 1 . 2]" 1
876 1 60 ARG QB 1 60 ARG QD 1.800 . 5.000 2.266 2.096 2.410 . 0 0 "[ . 1 . 2]" 1
877 1 60 ARG QB 1 60 ARG HE 1.800 . 5.000 2.929 1.824 3.971 . 0 0 "[ . 1 . 2]" 1
878 1 60 ARG H 1 60 ARG HB3 1.800 . 3.500 2.935 2.340 3.603 0.103 4 0 "[ . 1 . 2]" 1
879 1 60 ARG H 1 60 ARG HB2 1.800 . 3.500 2.398 2.091 2.765 . 0 0 "[ . 1 . 2]" 1
880 1 60 ARG H 1 60 ARG QG 1.800 . 5.000 3.502 2.105 4.043 . 0 0 "[ . 1 . 2]" 1
881 1 61 VAL HA 1 61 VAL MG1 1.800 . 5.000 2.402 2.383 2.419 . 0 0 "[ . 1 . 2]" 1
882 1 61 VAL HA 1 61 VAL MG2 1.800 . 5.000 2.391 2.355 2.410 . 0 0 "[ . 1 . 2]" 1
883 1 61 VAL H 1 61 VAL HB 1.800 . 3.500 2.519 2.496 2.542 . 0 0 "[ . 1 . 2]" 1
884 1 61 VAL H 1 61 VAL MG1 1.800 . 5.000 3.779 3.764 3.809 . 0 0 "[ . 1 . 2]" 1
885 1 61 VAL H 1 61 VAL MG2 1.800 . 5.000 2.195 2.075 2.399 . 0 0 "[ . 1 . 2]" 1
886 1 62 PHE HA 1 62 PHE QD 1.800 . 5.000 2.674 2.538 2.914 . 0 0 "[ . 1 . 2]" 1
887 1 62 PHE H 1 62 PHE QD 1.800 . 5.000 2.674 2.462 2.840 . 0 0 "[ . 1 . 2]" 1
888 1 62 PHE H 1 62 PHE QE 1.800 . 5.000 4.547 4.406 4.720 . 0 0 "[ . 1 . 2]" 1
889 1 64 ASN H 1 64 ASN QD 1.800 . 5.000 3.660 2.474 4.650 . 0 0 "[ . 1 . 2]" 1
890 1 65 ALA H 1 65 ALA MB 1.800 . 5.000 2.233 2.210 2.250 . 0 0 "[ . 1 . 2]" 1
891 1 67 ALA H 1 67 ALA MB 1.800 . 5.000 2.377 2.281 2.500 . 0 0 "[ . 1 . 2]" 1
892 1 68 ILE HA 1 68 ILE MD 1.800 . 5.000 3.866 3.828 4.180 . 0 0 "[ . 1 . 2]" 1
893 1 68 ILE HA 1 68 ILE MG 1.800 . 5.000 2.373 2.268 2.403 . 0 0 "[ . 1 . 2]" 1
894 1 68 ILE HB 1 68 ILE MD 1.800 . 5.000 2.422 2.393 2.436 . 0 0 "[ . 1 . 2]" 1
895 1 68 ILE H 1 68 ILE HB 1.800 . 3.500 2.685 2.548 3.764 0.264 4 0 "[ . 1 . 2]" 1
896 1 68 ILE H 1 68 ILE MD 1.800 . 5.000 3.911 3.677 4.170 . 0 0 "[ . 1 . 2]" 1
897 1 68 ILE H 1 68 ILE QG 1.800 . 5.000 2.583 2.099 2.960 . 0 0 "[ . 1 . 2]" 1
898 1 68 ILE H 1 68 ILE MG 1.800 . 5.000 3.800 2.986 3.906 . 0 0 "[ . 1 . 2]" 1
899 1 70 THR HA 1 70 THR MG 1.800 . 5.000 2.354 2.281 2.401 . 0 0 "[ . 1 . 2]" 1
900 1 70 THR H 1 70 THR MG 1.800 . 5.000 3.859 3.810 3.895 . 0 0 "[ . 1 . 2]" 1
901 1 71 LEU HB3 1 71 LEU MD1 1.800 . 5.000 3.116 2.352 3.202 . 0 0 "[ . 1 . 2]" 1
902 1 71 LEU HB2 1 71 LEU MD1 1.800 . 5.000 2.447 2.332 3.213 . 0 0 "[ . 1 . 2]" 1
903 1 71 LEU H 1 71 LEU MD2 1.800 . 5.000 4.425 4.091 4.559 . 0 0 "[ . 1 . 2]" 1
904 1 72 ILE HA 1 72 ILE MD 1.800 . 5.000 3.842 3.811 3.879 . 0 0 "[ . 1 . 2]" 1
905 1 72 ILE HB 1 72 ILE MD 1.800 . 5.000 2.430 2.398 2.453 . 0 0 "[ . 1 . 2]" 1
906 1 72 ILE H 1 72 ILE MD 1.800 . 5.000 3.812 3.672 4.029 . 0 0 "[ . 1 . 2]" 1
907 1 72 ILE H 1 72 ILE HG13 1.800 . 5.000 2.500 2.288 2.852 . 0 0 "[ . 1 . 2]" 1
908 1 72 ILE H 1 72 ILE HG12 1.800 . 5.000 3.690 3.545 3.957 . 0 0 "[ . 1 . 2]" 1
909 1 72 ILE H 1 72 ILE MG 1.800 . 5.000 3.809 3.776 3.837 . 0 0 "[ . 1 . 2]" 1
910 1 73 VAL HA 1 73 VAL MG1 1.800 . 5.000 2.395 2.346 2.434 . 0 0 "[ . 1 . 2]" 1
911 1 73 VAL HA 1 73 VAL MG2 1.800 . 5.000 2.393 2.366 2.453 . 0 0 "[ . 1 . 2]" 1
912 1 73 VAL H 1 73 VAL MG1 1.800 . 5.000 3.836 3.810 3.882 . 0 0 "[ . 1 . 2]" 1
913 1 73 VAL H 1 73 VAL MG2 1.800 . 5.000 2.574 2.377 2.786 . 0 0 "[ . 1 . 2]" 1
914 1 75 THR HA 1 75 THR MG 1.800 . 5.000 2.313 2.173 3.206 . 0 0 "[ . 1 . 2]" 1
915 1 75 THR H 1 75 THR MG 1.800 . 5.000 2.619 1.772 3.736 0.028 7 0 "[ . 1 . 2]" 1
916 1 77 ALA H 1 77 ALA MB 1.800 . 5.000 2.454 2.236 3.015 . 0 0 "[ . 1 . 2]" 1
917 1 79 VAL HA 1 79 VAL MG1 1.800 . 5.000 2.543 2.340 3.226 . 0 0 "[ . 1 . 2]" 1
918 1 79 VAL HA 1 79 VAL MG2 1.800 . 5.000 2.411 2.333 2.449 . 0 0 "[ . 1 . 2]" 1
919 1 79 VAL H 1 79 VAL HB 1.800 . 3.500 2.626 2.447 2.936 . 0 0 "[ . 1 . 2]" 1
920 1 79 VAL H 1 79 VAL MG1 1.800 . 5.000 3.449 1.927 3.854 . 0 0 "[ . 1 . 2]" 1
921 1 79 VAL H 1 79 VAL MG2 1.800 . 5.000 2.622 2.107 3.862 . 0 0 "[ . 1 . 2]" 1
922 1 81 ILE HA 1 81 ILE MD 1.800 . 5.000 3.222 2.006 3.858 . 0 0 "[ . 1 . 2]" 1
923 1 81 ILE HA 1 81 ILE MG 1.800 . 5.000 2.685 2.335 3.219 . 0 0 "[ . 1 . 2]" 1
924 1 81 ILE HB 1 81 ILE MD 1.800 . 5.000 2.454 2.322 3.238 . 0 0 "[ . 1 . 2]" 1
925 1 81 ILE H 1 81 ILE MD 1.800 . 5.000 3.764 2.072 4.512 . 0 0 "[ . 1 . 2]" 1
926 1 81 ILE H 1 81 ILE HG13 1.800 . 5.000 3.306 2.314 4.604 . 0 0 "[ . 1 . 2]" 1
927 1 81 ILE H 1 81 ILE HG12 1.800 . 5.000 3.956 2.417 4.755 . 0 0 "[ . 1 . 2]" 1
928 1 81 ILE H 1 81 ILE MG 1.800 . 5.000 3.136 1.881 3.822 . 0 0 "[ . 1 . 2]" 1
929 1 82 ALA H 1 82 ALA MB 1.800 . 5.000 2.238 2.216 2.287 . 0 0 "[ . 1 . 2]" 1
930 1 85 GLN HA 1 85 GLN QG 1.800 . 5.000 2.612 2.326 2.965 . 0 0 "[ . 1 . 2]" 1
931 1 85 GLN H 1 85 GLN QG 1.800 . 5.000 2.850 1.936 4.082 . 0 0 "[ . 1 . 2]" 1
932 1 86 LEU QB 1 86 LEU MD1 1.800 . 5.000 2.298 2.260 2.317 . 0 0 "[ . 1 . 2]" 1
933 1 86 LEU QB 1 86 LEU MD2 1.800 . 5.000 2.093 2.083 2.100 . 0 0 "[ . 1 . 2]" 1
934 1 86 LEU H 1 86 LEU QB 1.800 . 4.500 2.242 2.222 2.274 . 0 0 "[ . 1 . 2]" 1
935 1 86 LEU H 1 86 LEU MD1 1.800 . 5.000 4.100 4.016 4.140 . 0 0 "[ . 1 . 2]" 1
936 1 86 LEU H 1 86 LEU MD2 1.800 . 5.000 4.254 4.228 4.295 . 0 0 "[ . 1 . 2]" 1
937 1 86 LEU H 1 86 LEU HG 1.800 . 5.000 4.469 4.438 4.504 . 0 0 "[ . 1 . 2]" 1
938 1 87 ARG H 1 87 ARG HB3 1.800 . 3.500 2.603 2.371 2.809 . 0 0 "[ . 1 . 2]" 1
939 1 87 ARG H 1 87 ARG HB2 1.800 . 3.500 2.440 2.215 2.675 . 0 0 "[ . 1 . 2]" 1
940 1 88 GLU H 1 88 GLU HG3 1.800 . 5.000 4.106 2.310 4.534 . 0 0 "[ . 1 . 2]" 1
941 1 88 GLU H 1 88 GLU HG2 1.800 . 5.000 4.040 2.182 4.601 . 0 0 "[ . 1 . 2]" 1
942 1 89 ALA H 1 89 ALA MB 1.800 . 5.000 2.240 2.225 2.263 . 0 0 "[ . 1 . 2]" 1
943 1 90 LEU HB3 1 90 LEU MD1 1.800 . 5.000 2.399 2.347 2.476 . 0 0 "[ . 1 . 2]" 1
944 1 90 LEU HB3 1 90 LEU MD2 1.800 . 5.000 2.348 2.282 2.405 . 0 0 "[ . 1 . 2]" 1
945 1 90 LEU HB2 1 90 LEU MD1 1.800 . 5.000 2.310 2.246 2.366 . 0 0 "[ . 1 . 2]" 1
946 1 90 LEU HB2 1 90 LEU MD2 1.800 . 5.000 3.195 3.184 3.201 . 0 0 "[ . 1 . 2]" 1
947 1 90 LEU H 1 90 LEU MD1 1.800 . 5.000 3.607 3.412 3.739 . 0 0 "[ . 1 . 2]" 1
948 1 90 LEU H 1 90 LEU MD2 1.800 . 5.000 3.459 3.371 3.706 . 0 0 "[ . 1 . 2]" 1
949 1 90 LEU H 1 90 LEU HG 1.800 . 5.000 2.394 2.266 2.654 . 0 0 "[ . 1 . 2]" 1
950 1 93 VAL HA 1 93 VAL MG1 1.800 . 5.000 2.356 2.156 3.222 . 0 0 "[ . 1 . 2]" 1
951 1 93 VAL HA 1 93 VAL MG2 1.800 . 5.000 2.704 2.319 3.220 . 0 0 "[ . 1 . 2]" 1
952 1 93 VAL H 1 93 VAL MG1 1.800 . 5.000 3.421 2.129 3.884 . 0 0 "[ . 1 . 2]" 1
953 1 95 VAL HA 1 95 VAL MG1 1.800 . 5.000 2.392 2.361 2.450 . 0 0 "[ . 1 . 2]" 1
954 1 95 VAL HA 1 95 VAL MG2 1.800 . 5.000 2.400 2.338 2.439 . 0 0 "[ . 1 . 2]" 1
955 1 95 VAL H 1 95 VAL MG1 1.800 . 5.000 3.795 3.758 3.877 . 0 0 "[ . 1 . 2]" 1
956 1 95 VAL H 1 95 VAL MG2 1.800 . 5.000 2.299 1.999 2.640 . 0 0 "[ . 1 . 2]" 1
957 1 96 VAL HA 1 96 VAL MG1 1.800 . 5.000 2.375 2.339 2.429 . 0 0 "[ . 1 . 2]" 1
958 1 96 VAL HA 1 96 VAL MG2 1.800 . 5.000 2.421 2.377 2.464 . 0 0 "[ . 1 . 2]" 1
959 1 96 VAL H 1 96 VAL HB 1.800 . 3.500 2.553 2.485 2.601 . 0 0 "[ . 1 . 2]" 1
960 1 96 VAL H 1 96 VAL QG 1.800 . 5.000 2.168 2.036 2.303 . 0 0 "[ . 1 . 2]" 1
961 1 96 VAL H 1 96 VAL MG1 1.800 . 5.000 3.790 3.773 3.815 . 0 0 "[ . 1 . 2]" 1
962 1 97 LEU HA 1 97 LEU MD1 1.800 . 5.000 2.338 2.063 3.647 . 0 0 "[ . 1 . 2]" 1
963 1 97 LEU QB 1 97 LEU MD1 1.800 . 5.000 2.260 2.084 2.355 . 0 0 "[ . 1 . 2]" 1
964 1 97 LEU QB 1 97 LEU MD2 1.800 . 5.000 2.110 2.089 2.202 . 0 0 "[ . 1 . 2]" 1
965 1 97 LEU H 1 97 LEU MD2 1.800 . 5.000 4.259 4.061 4.405 . 0 0 "[ . 1 . 2]" 1
966 1 99 THR HA 1 99 THR MG 1.800 . 5.000 2.360 2.173 3.216 . 0 0 "[ . 1 . 2]" 1
967 1 99 THR H 1 99 THR MG 1.800 . 5.000 3.285 1.957 3.943 . 0 0 "[ . 1 . 2]" 1
968 1 100 MET QB 1 100 MET ME 1.800 . 5.000 2.070 1.921 3.665 . 0 0 "[ . 1 . 2]" 1
969 1 100 MET ME 1 100 MET HG3 1.800 . 5.000 2.896 2.401 3.405 . 0 0 "[ . 1 . 2]" 1
970 1 100 MET ME 1 100 MET HG2 1.800 . 5.000 2.947 2.464 3.406 . 0 0 "[ . 1 . 2]" 1
971 1 100 MET H 1 100 MET QG 1.800 . 5.000 3.397 2.411 4.283 . 0 0 "[ . 1 . 2]" 1
972 1 101 GLN HA 1 101 GLN QG 1.800 . 5.000 2.424 2.256 2.536 . 0 0 "[ . 1 . 2]" 1
973 1 101 GLN H 1 101 GLN QB 1.800 . 3.500 2.400 2.223 2.581 . 0 0 "[ . 1 . 2]" 1
974 1 101 GLN H 1 101 GLN QG 1.800 . 5.000 2.753 2.018 3.959 . 0 0 "[ . 1 . 2]" 1
975 1 102 THR HA 1 102 THR MG 1.800 . 5.000 2.269 2.147 2.395 . 0 0 "[ . 1 . 2]" 1
976 1 102 THR H 1 102 THR HG1 1.800 . 5.000 2.959 1.963 3.426 . 0 0 "[ . 1 . 2]" 1
977 1 102 THR H 1 102 THR MG 1.800 . 5.000 3.381 2.404 3.752 . 0 0 "[ . 1 . 2]" 1
978 1 105 ALA H 1 105 ALA MB 1.800 . 5.000 2.243 2.233 2.254 . 0 0 "[ . 1 . 2]" 1
979 1 106 ILE HA 1 106 ILE MD 1.800 . 5.000 3.830 3.811 3.861 . 0 0 "[ . 1 . 2]" 1
980 1 106 ILE HA 1 106 ILE MG 1.800 . 5.000 2.440 2.389 2.485 . 0 0 "[ . 1 . 2]" 1
981 1 106 ILE H 1 106 ILE MD 1.800 . 5.000 3.575 3.521 3.622 . 0 0 "[ . 1 . 2]" 1
982 1 106 ILE H 1 106 ILE QG 1.800 . 5.000 2.116 2.023 2.220 . 0 0 "[ . 1 . 2]" 1
983 1 106 ILE H 1 106 ILE MG 1.800 . 5.000 3.770 3.764 3.780 . 0 0 "[ . 1 . 2]" 1
984 1 107 ARG HA 1 107 ARG QD 1.800 . 5.000 3.741 1.780 4.263 0.020 19 0 "[ . 1 . 2]" 1
985 1 107 ARG H 1 107 ARG QD 1.800 . 5.000 4.263 3.468 4.837 . 0 0 "[ . 1 . 2]" 1
986 1 107 ARG H 1 107 ARG HG3 1.800 . 5.000 3.767 2.050 4.542 . 0 0 "[ . 1 . 2]" 1
987 1 107 ARG H 1 107 ARG HG2 1.800 . 5.000 4.036 2.195 4.612 . 0 0 "[ . 1 . 2]" 1
988 1 108 THR HA 1 108 THR MG 1.800 . 5.000 2.323 2.163 2.400 . 0 0 "[ . 1 . 2]" 1
989 1 108 THR H 1 108 THR MG 1.800 . 5.000 3.598 2.541 3.762 . 0 0 "[ . 1 . 2]" 1
990 1 109 TYR HA 1 109 TYR QD 1.800 . 5.000 2.567 2.278 2.718 . 0 0 "[ . 1 . 2]" 1
991 1 109 TYR H 1 109 TYR QD 1.800 . 5.000 4.194 4.125 4.220 . 0 0 "[ . 1 . 2]" 1
992 1 110 ASN HA 1 110 ASN QD 1.800 . 5.000 3.119 1.807 4.083 . 0 0 "[ . 1 . 2]" 1
993 1 111 ILE HA 1 111 ILE MD 1.800 . 5.000 3.685 2.044 3.884 . 0 0 "[ . 1 . 2]" 1
994 1 111 ILE HA 1 111 ILE MG 1.800 . 5.000 2.420 2.351 2.651 . 0 0 "[ . 1 . 2]" 1
995 1 111 ILE HB 1 111 ILE MD 1.800 . 5.000 2.459 2.387 3.241 . 0 0 "[ . 1 . 2]" 1
996 1 111 ILE H 1 111 ILE HB 1.800 . 3.500 2.501 2.272 2.608 . 0 0 "[ . 1 . 2]" 1
997 1 111 ILE H 1 111 ILE MD 1.800 . 5.000 3.509 2.224 3.737 . 0 0 "[ . 1 . 2]" 1
998 1 111 ILE H 1 111 ILE HG13 1.800 . 5.000 2.349 1.972 3.837 . 0 0 "[ . 1 . 2]" 1
999 1 111 ILE H 1 111 ILE HG12 1.800 . 5.000 3.428 2.214 4.024 . 0 0 "[ . 1 . 2]" 1
1000 1 111 ILE H 1 111 ILE MG 1.800 . 5.000 3.766 3.666 3.783 . 0 0 "[ . 1 . 2]" 1
1001 1 112 MET ME 1 112 MET QG 1.800 . 5.000 2.336 2.214 2.472 . 0 0 "[ . 1 . 2]" 1
1002 1 112 MET H 1 112 MET HG3 1.800 . 5.000 3.523 2.278 4.522 . 0 0 "[ . 1 . 2]" 1
1003 1 112 MET H 1 112 MET HG2 1.800 . 5.000 3.483 2.099 4.605 . 0 0 "[ . 1 . 2]" 1
1004 1 113 ILE HA 1 113 ILE MG 1.800 . 5.000 2.958 2.423 3.217 . 0 0 "[ . 1 . 2]" 1
1005 1 113 ILE HB 1 113 ILE MD 1.800 . 5.000 2.692 2.365 3.237 . 0 0 "[ . 1 . 2]" 1
1006 1 113 ILE H 1 113 ILE MD 1.800 . 5.000 3.792 3.105 4.093 . 0 0 "[ . 1 . 2]" 1
1007 1 113 ILE H 1 113 ILE QG 1.800 . 5.000 3.465 2.057 4.119 . 0 0 "[ . 1 . 2]" 1
1008 1 113 ILE H 1 113 ILE MG 1.800 . 5.000 2.746 2.123 3.784 . 0 0 "[ . 1 . 2]" 1
1009 1 115 GLU H 1 115 GLU QB 1.800 . 3.500 2.410 2.192 2.810 . 0 0 "[ . 1 . 2]" 1
1010 1 115 GLU H 1 115 GLU QG 1.800 . 5.000 3.536 2.204 4.279 . 0 0 "[ . 1 . 2]" 1
1011 1 119 VAL HA 1 119 VAL MG1 1.800 . 5.000 3.215 3.209 3.221 . 0 0 "[ . 1 . 2]" 1
1012 1 119 VAL H 1 119 VAL MG2 1.800 . 5.000 3.872 3.792 3.936 . 0 0 "[ . 1 . 2]" 1
1013 1 120 ALA H 1 120 ALA MB 1.800 . 5.000 2.466 2.358 2.575 . 0 0 "[ . 1 . 2]" 1
1014 1 121 ALA H 1 121 ALA MB 1.800 . 5.000 2.472 2.339 2.559 . 0 0 "[ . 1 . 2]" 1
1015 1 122 ALA H 1 122 ALA MB 1.800 . 5.000 2.346 2.302 2.397 . 0 0 "[ . 1 . 2]" 1
1016 1 123 LEU HA 1 123 LEU MD2 1.800 . 5.000 1.990 1.941 2.038 . 0 0 "[ . 1 . 2]" 1
1017 1 123 LEU HB3 1 123 LEU MD1 1.800 . 5.000 2.354 2.309 2.383 . 0 0 "[ . 1 . 2]" 1
1018 1 123 LEU HB2 1 123 LEU MD1 1.800 . 5.000 2.352 2.324 2.387 . 0 0 "[ . 1 . 2]" 1
1019 1 123 LEU H 1 123 LEU MD2 1.800 . 5.000 3.595 3.454 3.701 . 0 0 "[ . 1 . 2]" 1
1020 1 123 LEU H 1 123 LEU HG 1.800 . 5.000 2.791 2.633 2.934 . 0 0 "[ . 1 . 2]" 1
1021 1 124 ILE HA 1 124 ILE MD 1.800 . 5.000 3.856 3.818 3.884 . 0 0 "[ . 1 . 2]" 1
1022 1 124 ILE HA 1 124 ILE QG 1.800 . 5.000 2.455 2.390 2.509 . 0 0 "[ . 1 . 2]" 1
1023 1 124 ILE HB 1 124 ILE MD 1.800 . 5.000 2.431 2.411 2.458 . 0 0 "[ . 1 . 2]" 1
1024 1 124 ILE H 1 124 ILE MD 1.800 . 5.000 3.831 3.708 3.964 . 0 0 "[ . 1 . 2]" 1
1025 1 124 ILE H 1 124 ILE QG 1.800 . 5.000 2.471 2.304 2.649 . 0 0 "[ . 1 . 2]" 1
1026 1 125 ALA H 1 125 ALA MB 1.800 . 5.000 2.253 2.218 2.349 . 0 0 "[ . 1 . 2]" 1
1027 1 126 VAL H 1 126 VAL HB 1.800 . 3.500 3.203 2.506 3.658 0.158 17 0 "[ . 1 . 2]" 1
1028 1 126 VAL H 1 126 VAL MG1 1.800 . 4.500 2.934 2.182 3.852 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 72
_Distance_constraint_stats_list.Viol_count 98
_Distance_constraint_stats_list.Viol_total 31.920
_Distance_constraint_stats_list.Viol_max 0.075
_Distance_constraint_stats_list.Viol_rms 0.0058
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0163
_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 33 GLY 0.089 0.047 6 0 "[ . 1 . 2]"
1 34 SER 0.089 0.030 11 0 "[ . 1 . 2]"
1 35 LEU 0.003 0.003 11 0 "[ . 1 . 2]"
1 36 LEU 0.000 0.000 12 0 "[ . 1 . 2]"
1 37 PHE 0.003 0.003 12 0 "[ . 1 . 2]"
1 38 LEU 0.098 0.034 12 0 "[ . 1 . 2]"
1 41 ALA 0.098 0.034 12 0 "[ . 1 . 2]"
1 43 TRP 0.000 0.000 12 0 "[ . 1 . 2]"
1 45 TRP 0.089 0.030 11 0 "[ . 1 . 2]"
1 54 ASP 0.028 0.021 19 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.046 0.021 19 0 "[ . 1 . 2]"
1 62 PHE 0.018 0.012 16 0 "[ . 1 . 2]"
1 69 ASP 0.038 0.022 6 0 "[ . 1 . 2]"
1 70 THR 0.333 0.075 18 0 "[ . 1 . 2]"
1 71 LEU 0.013 0.009 17 0 "[ . 1 . 2]"
1 72 ILE 0.004 0.004 18 0 "[ . 1 . 2]"
1 73 VAL 0.008 0.008 15 0 "[ . 1 . 2]"
1 74 GLY 0.010 0.006 6 0 "[ . 1 . 2]"
1 75 THR 0.106 0.037 1 0 "[ . 1 . 2]"
1 83 PRO 0.059 0.055 5 0 "[ . 1 . 2]"
1 85 GLN 0.140 0.042 20 0 "[ . 1 . 2]"
1 86 LEU 0.073 0.026 11 0 "[ . 1 . 2]"
1 87 ARG 0.079 0.055 5 0 "[ . 1 . 2]"
1 88 GLU 0.053 0.022 5 0 "[ . 1 . 2]"
1 89 ALA 0.140 0.042 20 0 "[ . 1 . 2]"
1 90 LEU 0.073 0.026 11 0 "[ . 1 . 2]"
1 91 ARG 0.020 0.020 5 0 "[ . 1 . 2]"
1 92 GLY 0.053 0.022 5 0 "[ . 1 . 2]"
1 96 VAL 0.043 0.022 6 0 "[ . 1 . 2]"
1 98 ASP 0.017 0.009 17 0 "[ . 1 . 2]"
1 100 MET 0.106 0.037 1 0 "[ . 1 . 2]"
1 101 GLN 0.004 0.004 9 0 "[ . 1 . 2]"
1 103 GLY 0.270 0.067 1 0 "[ . 1 . 2]"
1 104 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 ALA 0.004 0.004 9 0 "[ . 1 . 2]"
1 106 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 ARG 0.405 0.067 1 0 "[ . 1 . 2]"
1 108 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 109 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 110 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 ILE 0.136 0.045 6 0 "[ . 1 . 2]"
1 112 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 118 ARG 0.333 0.075 18 0 "[ . 1 . 2]"
1 120 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 ALA 0.003 0.003 12 0 "[ . 1 . 2]"
1 122 ALA 0.010 0.006 6 0 "[ . 1 . 2]"
1 123 LEU 0.003 0.003 11 0 "[ . 1 . 2]"
1 124 ILE 0.004 0.004 13 0 "[ . 1 . 2]"
1 125 ALA 0.089 0.047 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 33 GLY O 1 125 ALA N 2.700 2.700 3.300 2.818 2.694 3.210 0.006 15 0 "[ . 1 . 2]" 2
2 1 33 GLY O 1 125 ALA H 1.700 . 2.300 1.913 1.717 2.347 0.047 6 0 "[ . 1 . 2]" 2
3 1 34 SER O 1 45 TRP N 2.700 2.700 3.300 3.075 2.829 3.264 . 0 0 "[ . 1 . 2]" 2
4 1 34 SER O 1 45 TRP H 1.700 . 2.300 2.150 1.869 2.330 0.030 11 0 "[ . 1 . 2]" 2
5 1 35 LEU O 1 123 LEU N 2.700 2.700 3.300 3.000 2.810 3.260 . 0 0 "[ . 1 . 2]" 2
6 1 35 LEU O 1 123 LEU H 1.700 . 2.300 2.062 1.850 2.303 0.003 11 0 "[ . 1 . 2]" 2
7 1 36 LEU O 1 43 TRP N 2.700 2.700 3.300 2.865 2.713 3.014 . 0 0 "[ . 1 . 2]" 2
8 1 36 LEU O 1 43 TRP H 1.700 . 2.300 1.918 1.758 2.056 . 0 0 "[ . 1 . 2]" 2
9 1 37 PHE O 1 121 ALA N 2.700 2.700 3.300 2.860 2.745 3.052 . 0 0 "[ . 1 . 2]" 2
10 1 37 PHE O 1 121 ALA H 1.700 . 2.300 1.906 1.792 2.124 . 0 0 "[ . 1 . 2]" 2
11 1 38 LEU N 1 41 ALA O 2.700 2.700 3.300 3.024 2.666 3.164 0.034 12 0 "[ . 1 . 2]" 2
12 1 38 LEU H 1 41 ALA O 1.700 . 2.300 2.189 1.712 2.316 0.016 20 0 "[ . 1 . 2]" 2
13 1 36 LEU N 1 43 TRP O 2.700 2.700 3.300 2.754 2.700 2.891 0.000 12 0 "[ . 1 . 2]" 2
14 1 36 LEU H 1 43 TRP O 1.700 . 2.300 1.798 1.733 2.047 . 0 0 "[ . 1 . 2]" 2
15 1 54 ASP O 1 58 LEU N 2.700 2.700 3.300 2.899 2.765 3.080 . 0 0 "[ . 1 . 2]" 2
16 1 54 ASP O 1 58 LEU H 1.700 . 2.300 2.079 1.873 2.321 0.021 19 0 "[ . 1 . 2]" 2
17 1 58 LEU O 1 62 PHE N 2.700 2.700 3.300 2.922 2.763 3.210 . 0 0 "[ . 1 . 2]" 2
18 1 58 LEU O 1 62 PHE H 1.700 . 2.300 1.981 1.817 2.312 0.012 16 0 "[ . 1 . 2]" 2
19 1 69 ASP O 1 96 VAL N 2.700 2.700 3.300 2.815 2.678 3.191 0.022 6 0 "[ . 1 . 2]" 2
20 1 69 ASP O 1 96 VAL H 1.700 . 2.300 1.853 1.708 2.283 . 0 0 "[ . 1 . 2]" 2
21 1 70 THR O 1 120 ALA N 2.700 2.700 3.300 2.845 2.720 3.094 . 0 0 "[ . 1 . 2]" 2
22 1 70 THR O 1 120 ALA H 1.700 . 2.300 1.888 1.741 2.155 . 0 0 "[ . 1 . 2]" 2
23 1 71 LEU O 1 98 ASP N 2.700 2.700 3.300 2.863 2.691 3.127 0.009 17 0 "[ . 1 . 2]" 2
24 1 71 LEU O 1 98 ASP H 1.700 . 2.300 1.899 1.716 2.156 . 0 0 "[ . 1 . 2]" 2
25 1 72 ILE O 1 122 ALA N 2.700 2.700 3.300 2.789 2.696 3.078 0.004 18 0 "[ . 1 . 2]" 2
26 1 72 ILE O 1 122 ALA H 1.700 . 2.300 1.881 1.791 2.125 . 0 0 "[ . 1 . 2]" 2
27 1 73 VAL O 1 100 MET N 2.700 2.700 3.300 2.871 2.755 3.042 . 0 0 "[ . 1 . 2]" 2
28 1 73 VAL O 1 100 MET H 1.700 . 2.300 1.895 1.804 2.076 . 0 0 "[ . 1 . 2]" 2
29 1 74 GLY O 1 124 ILE N 2.700 2.700 3.300 2.923 2.696 3.223 0.004 13 0 "[ . 1 . 2]" 2
30 1 74 GLY O 1 124 ILE H 1.700 . 2.300 1.977 1.720 2.285 . 0 0 "[ . 1 . 2]" 2
31 1 83 PRO O 1 87 ARG N 2.700 2.700 3.300 2.907 2.731 3.305 0.005 5 0 "[ . 1 . 2]" 2
32 1 83 PRO O 1 87 ARG H 1.700 . 2.300 1.956 1.764 2.355 0.055 5 0 "[ . 1 . 2]" 2
33 1 85 GLN O 1 89 ALA N 2.700 2.700 3.300 3.046 2.742 3.250 . 0 0 "[ . 1 . 2]" 2
34 1 85 GLN O 1 89 ALA H 1.700 . 2.300 2.189 1.841 2.342 0.042 20 0 "[ . 1 . 2]" 2
35 1 86 LEU O 1 90 LEU N 2.700 2.700 3.300 3.083 2.868 3.281 . 0 0 "[ . 1 . 2]" 2
36 1 86 LEU O 1 90 LEU H 1.700 . 2.300 2.136 1.921 2.326 0.026 11 0 "[ . 1 . 2]" 2
37 1 87 ARG O 1 91 ARG N 2.700 2.700 3.300 2.918 2.680 3.180 0.020 5 0 "[ . 1 . 2]" 2
38 1 87 ARG O 1 91 ARG H 1.700 . 2.300 2.000 1.789 2.216 . 0 0 "[ . 1 . 2]" 2
39 1 88 GLU O 1 92 GLY N 2.700 2.700 3.300 2.894 2.689 3.106 0.011 11 0 "[ . 1 . 2]" 2
40 1 88 GLU O 1 92 GLY H 1.700 . 2.300 2.124 1.917 2.322 0.022 5 0 "[ . 1 . 2]" 2
41 1 71 LEU N 1 96 VAL O 2.700 2.700 3.300 2.742 2.698 2.876 0.002 5 0 "[ . 1 . 2]" 2
42 1 71 LEU H 1 96 VAL O 1.700 . 2.300 1.767 1.713 1.929 . 0 0 "[ . 1 . 2]" 2
43 1 73 VAL N 1 98 ASP O 2.700 2.700 3.300 2.847 2.692 3.242 0.008 15 0 "[ . 1 . 2]" 2
44 1 73 VAL H 1 98 ASP O 1.700 . 2.300 1.877 1.713 2.273 . 0 0 "[ . 1 . 2]" 2
45 1 75 THR N 1 100 MET O 2.700 2.700 3.300 2.997 2.692 3.247 0.008 3 0 "[ . 1 . 2]" 2
46 1 75 THR H 1 100 MET O 1.700 . 2.300 2.087 1.711 2.337 0.037 1 0 "[ . 1 . 2]" 2
47 1 101 GLN O 1 105 ALA N 2.700 2.700 3.300 2.975 2.791 3.185 . 0 0 "[ . 1 . 2]" 2
48 1 101 GLN O 1 105 ALA H 1.700 . 2.300 2.088 1.895 2.304 0.004 9 0 "[ . 1 . 2]" 2
49 1 103 GLY O 1 107 ARG N 2.700 2.700 3.300 3.218 3.072 3.310 0.010 1 0 "[ . 1 . 2]" 2
50 1 103 GLY O 1 107 ARG H 1.700 . 2.300 2.263 2.118 2.367 0.067 1 0 "[ . 1 . 2]" 2
51 1 104 PRO O 1 108 THR N 2.700 2.700 3.300 2.896 2.760 3.075 . 0 0 "[ . 1 . 2]" 2
52 1 104 PRO O 1 108 THR H 1.700 . 2.300 1.937 1.818 2.140 . 0 0 "[ . 1 . 2]" 2
53 1 105 ALA O 1 109 TYR N 2.700 2.700 3.300 2.854 2.732 3.059 . 0 0 "[ . 1 . 2]" 2
54 1 105 ALA O 1 109 TYR H 1.700 . 2.300 1.912 1.761 2.140 . 0 0 "[ . 1 . 2]" 2
55 1 106 ILE O 1 110 ASN N 2.700 2.700 3.300 2.930 2.709 3.108 . 0 0 "[ . 1 . 2]" 2
56 1 106 ILE O 1 110 ASN H 1.700 . 2.300 1.989 1.762 2.171 . 0 0 "[ . 1 . 2]" 2
57 1 107 ARG O 1 111 ILE N 2.700 2.700 3.300 3.147 2.950 3.267 . 0 0 "[ . 1 . 2]" 2
58 1 107 ARG O 1 111 ILE H 1.700 . 2.300 2.241 2.028 2.345 0.045 6 0 "[ . 1 . 2]" 2
59 1 108 THR O 1 112 MET N 2.700 2.700 3.300 2.868 2.733 3.022 . 0 0 "[ . 1 . 2]" 2
60 1 108 THR O 1 112 MET H 1.700 . 2.300 1.925 1.797 2.079 . 0 0 "[ . 1 . 2]" 2
61 1 70 THR N 1 118 ARG O 2.700 2.700 3.300 3.130 2.743 3.346 0.046 18 0 "[ . 1 . 2]" 2
62 1 70 THR H 1 118 ARG O 1.700 . 2.300 2.174 1.783 2.375 0.075 18 0 "[ . 1 . 2]" 2
63 1 72 ILE N 1 120 ALA O 2.700 2.700 3.300 2.835 2.716 3.055 . 0 0 "[ . 1 . 2]" 2
64 1 72 ILE H 1 120 ALA O 1.700 . 2.300 1.888 1.752 2.108 . 0 0 "[ . 1 . 2]" 2
65 1 37 PHE N 1 121 ALA O 2.700 2.700 3.300 2.777 2.697 3.007 0.003 12 0 "[ . 1 . 2]" 2
66 1 37 PHE H 1 121 ALA O 1.700 . 2.300 1.835 1.717 2.078 . 0 0 "[ . 1 . 2]" 2
67 1 74 GLY N 1 122 ALA O 2.700 2.700 3.300 2.804 2.694 3.018 0.006 6 0 "[ . 1 . 2]" 2
68 1 74 GLY H 1 122 ALA O 1.700 . 2.300 1.873 1.764 2.084 . 0 0 "[ . 1 . 2]" 2
69 1 35 LEU N 1 123 LEU O 2.700 2.700 3.300 2.926 2.773 3.133 . 0 0 "[ . 1 . 2]" 2
70 1 35 LEU H 1 123 LEU O 1.700 . 2.300 1.976 1.810 2.242 . 0 0 "[ . 1 . 2]" 2
71 1 45 TRP NE1 1 57 SER O 2.700 2.700 3.300 2.872 2.735 3.120 . 0 0 "[ . 1 . 2]" 2
72 1 45 TRP HE1 1 57 SER O 1.700 . 2.300 1.944 1.763 2.210 . 0 0 "[ . 1 . 2]" 2
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