NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
541570 |
2lcw   |
17635 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lcw
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 1067
_Distance_constraint_stats_list.Viol_count 1783
_Distance_constraint_stats_list.Viol_total 1623.918
_Distance_constraint_stats_list.Viol_max 0.285
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0038
_Distance_constraint_stats_list.Viol_average_violations_only 0.0455
_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 1 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ASP 0.100 0.040 12 0 "[ . 1 . 2]"
1 4 ASN 0.100 0.040 12 0 "[ . 1 . 2]"
1 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.630 0.041 13 0 "[ . 1 . 2]"
1 7 ASN 1.109 0.091 11 0 "[ . 1 . 2]"
1 8 ASN 0.821 0.103 16 0 "[ . 1 . 2]"
1 9 THR 0.891 0.091 11 0 "[ . 1 . 2]"
1 10 ILE 1.178 0.082 18 0 "[ . 1 . 2]"
1 11 PHE 0.426 0.044 7 0 "[ . 1 . 2]"
1 12 VAL 3.141 0.140 4 0 "[ . 1 . 2]"
1 13 GLN 1.149 0.131 3 0 "[ . 1 . 2]"
1 14 GLY 1.501 0.141 5 0 "[ . 1 . 2]"
1 15 LEU 1.177 0.180 5 0 "[ . 1 . 2]"
1 16 GLY 2.746 0.180 5 0 "[ . 1 . 2]"
1 17 GLU 1.291 0.106 12 0 "[ . 1 . 2]"
1 18 ASN 1.797 0.077 5 0 "[ . 1 . 2]"
1 19 VAL 1.423 0.144 19 0 "[ . 1 . 2]"
1 20 THR 1.609 0.086 18 0 "[ . 1 . 2]"
1 21 ILE 2.788 0.188 19 0 "[ . 1 . 2]"
1 22 GLU 1.690 0.086 18 0 "[ . 1 . 2]"
1 23 SER 0.713 0.043 3 0 "[ . 1 . 2]"
1 24 VAL 4.979 0.240 2 0 "[ . 1 . 2]"
1 25 ALA 0.778 0.079 14 0 "[ . 1 . 2]"
1 26 ASP 0.812 0.054 11 0 "[ . 1 . 2]"
1 27 TYR 1.256 0.054 11 0 "[ . 1 . 2]"
1 28 PHE 0.745 0.063 10 0 "[ . 1 . 2]"
1 29 LYS 1.009 0.043 5 0 "[ . 1 . 2]"
1 30 GLN 1.058 0.058 11 0 "[ . 1 . 2]"
1 31 ILE 0.778 0.058 11 0 "[ . 1 . 2]"
1 32 GLY 0.717 0.051 11 0 "[ . 1 . 2]"
1 33 ILE 1.186 0.119 9 0 "[ . 1 . 2]"
1 34 ILE 0.573 0.103 14 0 "[ . 1 . 2]"
1 35 LYS 0.126 0.035 2 0 "[ . 1 . 2]"
1 36 THR 2.299 0.172 6 0 "[ . 1 . 2]"
1 37 ASN 4.818 0.182 6 0 "[ . 1 . 2]"
1 38 LYS 0.616 0.075 9 0 "[ . 1 . 2]"
1 39 LYS 1.702 0.139 20 0 "[ . 1 . 2]"
1 40 THR 4.105 0.285 12 0 "[ . 1 . 2]"
1 41 GLY 0.616 0.075 9 0 "[ . 1 . 2]"
1 42 GLN 6.738 0.285 12 0 "[ . 1 . 2]"
1 43 PRO 0.767 0.103 14 0 "[ . 1 . 2]"
1 44 MET 1.015 0.092 10 0 "[ . 1 . 2]"
1 45 ILE 1.707 0.198 18 0 "[ . 1 . 2]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 1.027 0.138 17 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 THR 0.472 0.115 2 0 "[ . 1 . 2]"
1 50 ASP 0.186 0.050 5 0 "[ . 1 . 2]"
1 51 ARG 0.214 0.066 11 0 "[ . 1 . 2]"
1 52 GLU 1.502 0.200 10 0 "[ . 1 . 2]"
1 53 THR 0.658 0.085 10 0 "[ . 1 . 2]"
1 54 GLY 0.776 0.200 10 0 "[ . 1 . 2]"
1 55 LYS 0.414 0.057 12 0 "[ . 1 . 2]"
1 56 LEU 1.905 0.174 9 0 "[ . 1 . 2]"
1 57 LYS 1.013 0.178 10 0 "[ . 1 . 2]"
1 58 GLY 0.282 0.133 10 0 "[ . 1 . 2]"
1 59 GLU 0.706 0.178 10 0 "[ . 1 . 2]"
1 60 ALA 2.122 0.140 4 0 "[ . 1 . 2]"
1 61 THR 0.619 0.089 1 0 "[ . 1 . 2]"
1 62 VAL 4.514 0.240 2 0 "[ . 1 . 2]"
1 63 SER 1.671 0.198 18 0 "[ . 1 . 2]"
1 64 PHE 0.018 0.018 16 0 "[ . 1 . 2]"
1 65 ASP 0.681 0.119 9 0 "[ . 1 . 2]"
1 66 ASP 0.305 0.060 9 0 "[ . 1 . 2]"
1 67 PRO 1.374 0.131 7 0 "[ . 1 . 2]"
1 68 PRO 0.436 0.049 9 0 "[ . 1 . 2]"
1 69 SER 1.163 0.065 16 0 "[ . 1 . 2]"
1 70 ALA 4.530 0.133 16 0 "[ . 1 . 2]"
1 71 LYS 2.198 0.086 5 0 "[ . 1 . 2]"
1 72 ALA 1.420 0.055 5 0 "[ . 1 . 2]"
1 73 ALA 4.674 0.168 11 0 "[ . 1 . 2]"
1 74 ILE 6.800 0.168 11 0 "[ . 1 . 2]"
1 75 ASP 1.588 0.136 14 0 "[ . 1 . 2]"
1 76 TRP 6.475 0.172 20 0 "[ . 1 . 2]"
1 77 PHE 9.326 0.234 6 0 "[ . 1 . 2]"
1 78 ASP 4.333 0.234 6 0 "[ . 1 . 2]"
1 79 GLY 1.379 0.165 11 0 "[ . 1 . 2]"
1 80 LYS 3.030 0.157 10 0 "[ . 1 . 2]"
1 81 GLU 0.296 0.109 2 0 "[ . 1 . 2]"
1 82 PHE 0.641 0.071 2 0 "[ . 1 . 2]"
1 83 SER 0.932 0.061 11 0 "[ . 1 . 2]"
1 84 GLY 0.932 0.061 11 0 "[ . 1 . 2]"
1 85 ASN 0.599 0.047 10 0 "[ . 1 . 2]"
1 86 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 3.276 0.157 10 0 "[ . 1 . 2]"
1 88 LYS 0.402 0.053 11 0 "[ . 1 . 2]"
1 89 VAL 0.820 0.102 8 0 "[ . 1 . 2]"
1 90 SER 1.024 0.085 18 0 "[ . 1 . 2]"
1 91 PHE 0.668 0.074 14 0 "[ . 1 . 2]"
1 92 ALA 0.177 0.051 8 0 "[ . 1 . 2]"
1 93 THR 1.510 0.171 15 0 "[ . 1 . 2]"
1 94 ARG 0.262 0.040 20 0 "[ . 1 . 2]"
1 95 ARG 0.186 0.047 3 0 "[ . 1 . 2]"
1 96 ALA 0.176 0.047 3 0 "[ . 1 . 2]"
1 97 ASP 0.047 0.042 19 0 "[ . 1 . 2]"
1 98 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 105 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLU HA 1 2 GLN H 2.900 . 2.900 2.577 2.160 2.874 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN HA 1 3 ASP H 2.900 . 2.900 2.477 2.148 2.751 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 2 GLN QB 3.500 . 4.100 3.042 2.637 3.423 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLN QB 1 3 ASP H 3.500 . 4.500 2.614 1.935 3.900 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN HE22 1 2 GLN QG 3.500 . 4.500 3.291 3.219 3.452 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN QG 1 3 ASP H 5.000 . 6.000 4.100 3.702 4.514 . 0 0 "[ . 1 . 2]" 1
7 1 3 ASP HA 1 4 ASN H 3.500 . 3.500 2.814 2.169 3.540 0.040 12 0 "[ . 1 . 2]" 1
8 1 3 ASP H 1 3 ASP QB 2.900 . 3.500 2.487 2.091 2.998 . 0 0 "[ . 1 . 2]" 1
9 1 4 ASN QB 1 4 ASN HD22 3.500 . 4.500 3.313 3.216 3.436 . 0 0 "[ . 1 . 2]" 1
10 1 4 ASN QB 1 6 ASP H 5.000 . 6.000 4.143 2.455 5.093 . 0 0 "[ . 1 . 2]" 1
11 1 5 SER H 1 5 SER QB 2.900 . 3.500 2.460 2.082 2.994 . 0 0 "[ . 1 . 2]" 1
12 1 5 SER QB 1 6 ASP H 3.500 . 4.500 3.337 2.203 4.027 . 0 0 "[ . 1 . 2]" 1
13 1 5 SER H 1 6 ASP H 3.500 . 3.500 2.470 2.047 3.083 . 0 0 "[ . 1 . 2]" 1
14 1 5 SER H 1 7 ASN H 5.000 . 5.000 4.168 3.073 4.923 . 0 0 "[ . 1 . 2]" 1
15 1 6 ASP H 1 6 ASP HA 2.900 . 2.900 2.900 2.800 2.941 0.041 13 0 "[ . 1 . 2]" 1
16 1 6 ASP H 1 6 ASP QB 3.500 . 4.100 2.587 2.146 3.067 . 0 0 "[ . 1 . 2]" 1
17 1 6 ASP H 1 7 ASN HD21 5.000 . 5.000 4.807 3.576 5.037 0.037 10 0 "[ . 1 . 2]" 1
18 1 6 ASP H 1 7 ASN H 3.500 . 3.500 2.408 1.800 2.829 0.000 10 0 "[ . 1 . 2]" 1
19 1 7 ASN HA 1 8 ASN H 2.900 . 2.900 2.192 2.098 2.450 . 0 0 "[ . 1 . 2]" 1
20 1 7 ASN HA 1 9 THR H 3.500 . 3.500 3.471 3.047 3.591 0.091 11 0 "[ . 1 . 2]" 1
21 1 7 ASN H 1 7 ASN QB 3.500 . 4.100 2.685 2.049 3.409 . 0 0 "[ . 1 . 2]" 1
22 1 7 ASN HD21 1 91 PHE HA 5.000 . 5.000 4.598 3.296 5.055 0.055 20 0 "[ . 1 . 2]" 1
23 1 7 ASN HD21 1 91 PHE QB 3.500 . 4.500 3.389 2.581 3.862 . 0 0 "[ . 1 . 2]" 1
24 1 7 ASN HD22 1 91 PHE HA 5.000 . 5.000 4.048 2.889 5.029 0.029 2 0 "[ . 1 . 2]" 1
25 1 7 ASN HD22 1 91 PHE QB 5.000 . 6.000 2.573 1.855 3.818 . 0 0 "[ . 1 . 2]" 1
26 1 7 ASN H 1 8 ASN H 5.000 . 5.000 4.095 2.964 4.610 . 0 0 "[ . 1 . 2]" 1
27 1 8 ASN HA 1 70 ALA H 3.500 . 3.500 3.513 3.147 3.603 0.103 16 0 "[ . 1 . 2]" 1
28 1 8 ASN HA 1 9 THR H 3.500 . 3.500 3.438 3.075 3.510 0.010 16 0 "[ . 1 . 2]" 1
29 1 8 ASN QB 1 64 PHE H 5.000 . 6.000 2.847 2.022 4.118 . 0 0 "[ . 1 . 2]" 1
30 1 8 ASN H 1 8 ASN QB 3.500 . 4.100 2.773 2.066 3.483 . 0 0 "[ . 1 . 2]" 1
31 1 8 ASN QB 1 9 THR H 5.000 . 6.000 3.474 2.825 3.911 . 0 0 "[ . 1 . 2]" 1
32 1 8 ASN H 1 8 ASN HD21 5.000 . 5.000 3.349 1.852 4.286 . 0 0 "[ . 1 . 2]" 1
33 1 8 ASN H 1 70 ALA MB 5.000 . 6.500 4.033 2.120 4.496 . 0 0 "[ . 1 . 2]" 1
34 1 8 ASN H 1 9 THR HB 5.000 . 5.000 4.692 4.082 5.046 0.046 2 0 "[ . 1 . 2]" 1
35 1 9 THR HA 1 10 ILE H 2.900 . 2.900 2.185 2.131 2.344 . 0 0 "[ . 1 . 2]" 1
36 1 9 THR HA 1 62 VAL H 5.000 . 5.000 4.884 4.446 5.039 0.039 8 0 "[ . 1 . 2]" 1
37 1 9 THR HA 1 64 PHE H 3.500 . 3.500 3.004 2.526 3.518 0.018 16 0 "[ . 1 . 2]" 1
38 1 9 THR HB 1 10 ILE H 5.000 . 5.000 4.189 3.632 4.484 . 0 0 "[ . 1 . 2]" 1
39 1 9 THR MG 1 10 ILE H 2.900 . 4.400 2.724 2.012 3.467 . 0 0 "[ . 1 . 2]" 1
40 1 9 THR MG 1 11 PHE H 5.000 . 6.500 5.092 4.712 5.281 . 0 0 "[ . 1 . 2]" 1
41 1 9 THR MG 1 63 SER H 5.000 . 6.500 4.090 3.661 4.929 . 0 0 "[ . 1 . 2]" 1
42 1 9 THR MG 1 64 PHE H 5.000 . 6.500 4.584 4.022 5.192 . 0 0 "[ . 1 . 2]" 1
43 1 9 THR H 1 9 THR MG 3.500 . 5.000 3.750 3.135 3.986 . 0 0 "[ . 1 . 2]" 1
44 1 9 THR H 1 35 LYS QE 5.000 . 6.000 5.030 4.338 5.401 . 0 0 "[ . 1 . 2]" 1
45 1 9 THR H 1 63 SER HA 5.000 . 5.000 4.381 4.058 4.710 . 0 0 "[ . 1 . 2]" 1
46 1 10 ILE HA 1 11 PHE H 2.900 . 2.900 2.476 2.413 2.530 . 0 0 "[ . 1 . 2]" 1
47 1 10 ILE HA 1 62 VAL H 5.000 . 5.000 4.841 4.664 5.021 0.021 19 0 "[ . 1 . 2]" 1
48 1 10 ILE HA 1 90 SER H 5.000 . 5.000 4.280 4.054 4.589 . 0 0 "[ . 1 . 2]" 1
49 1 10 ILE HA 1 91 PHE H 5.000 . 5.000 4.929 4.574 5.074 0.074 14 0 "[ . 1 . 2]" 1
50 1 10 ILE HA 1 92 ALA H 2.900 . 2.900 2.246 1.955 2.669 . 0 0 "[ . 1 . 2]" 1
51 1 10 ILE HB 1 11 PHE H 2.900 . 2.900 2.238 2.122 2.495 . 0 0 "[ . 1 . 2]" 1
52 1 10 ILE HB 1 90 SER H 5.000 . 5.000 3.075 2.763 3.471 . 0 0 "[ . 1 . 2]" 1
53 1 10 ILE HB 1 92 ALA H 5.000 . 5.000 4.029 3.583 4.296 . 0 0 "[ . 1 . 2]" 1
54 1 10 ILE H 1 10 ILE MD 3.500 . 5.000 3.776 3.525 4.117 . 0 0 "[ . 1 . 2]" 1
55 1 10 ILE MD 1 11 PHE H 5.000 . 6.500 3.970 3.432 4.384 . 0 0 "[ . 1 . 2]" 1
56 1 10 ILE H 1 10 ILE HG13 3.500 . 3.500 2.919 2.600 3.525 0.025 18 0 "[ . 1 . 2]" 1
57 1 10 ILE HG13 1 11 PHE H 3.500 . 3.500 3.498 3.157 3.544 0.044 7 0 "[ . 1 . 2]" 1
58 1 10 ILE HG12 1 62 VAL H 3.500 . 3.500 3.308 2.452 3.518 0.018 11 0 "[ . 1 . 2]" 1
59 1 10 ILE H 1 10 ILE MG 3.500 . 5.000 2.731 2.481 3.155 . 0 0 "[ . 1 . 2]" 1
60 1 10 ILE MG 1 11 PHE H 3.500 . 5.000 3.628 3.509 3.815 . 0 0 "[ . 1 . 2]" 1
61 1 10 ILE MG 1 62 VAL H 5.000 . 6.500 4.812 4.526 5.072 . 0 0 "[ . 1 . 2]" 1
62 1 10 ILE MG 1 70 ALA H 5.000 . 6.500 4.374 3.990 4.629 . 0 0 "[ . 1 . 2]" 1
63 1 10 ILE MG 1 90 SER H 5.000 . 6.500 4.288 4.036 4.668 . 0 0 "[ . 1 . 2]" 1
64 1 10 ILE MG 1 92 ALA H 3.500 . 5.000 3.739 3.022 4.028 . 0 0 "[ . 1 . 2]" 1
65 1 10 ILE H 1 11 PHE H 5.000 . 5.000 4.502 4.405 4.568 . 0 0 "[ . 1 . 2]" 1
66 1 10 ILE H 1 62 VAL H 3.500 . 3.500 3.334 2.923 3.561 0.061 4 0 "[ . 1 . 2]" 1
67 1 10 ILE H 1 63 SER HA 3.500 . 3.500 3.378 3.093 3.541 0.041 12 0 "[ . 1 . 2]" 1
68 1 10 ILE H 1 70 ALA MB 5.000 . 6.500 3.958 3.443 4.449 . 0 0 "[ . 1 . 2]" 1
69 1 11 PHE HA 1 12 VAL H 2.900 . 2.900 2.141 2.084 2.176 . 0 0 "[ . 1 . 2]" 1
70 1 11 PHE HA 1 62 VAL H 5.000 . 5.000 3.372 2.788 3.912 . 0 0 "[ . 1 . 2]" 1
71 1 11 PHE H 1 11 PHE QB 3.500 . 4.100 2.546 2.341 2.824 . 0 0 "[ . 1 . 2]" 1
72 1 11 PHE QB 1 12 VAL H 5.000 . 6.000 3.577 3.203 3.890 . 0 0 "[ . 1 . 2]" 1
73 1 11 PHE QB 1 90 SER H 5.000 . 6.000 3.457 3.000 4.548 . 0 0 "[ . 1 . 2]" 1
74 1 11 PHE H 1 11 PHE QD 5.000 . 7.000 3.451 1.949 4.325 . 0 0 "[ . 1 . 2]" 1
75 1 11 PHE QD 1 12 VAL H 3.500 . 5.500 3.754 2.263 4.491 . 0 0 "[ . 1 . 2]" 1
76 1 11 PHE QD 1 13 GLN HE21 5.000 . 7.000 3.844 2.579 5.745 . 0 0 "[ . 1 . 2]" 1
77 1 11 PHE H 1 89 VAL HA 5.000 . 5.000 3.782 3.533 3.981 . 0 0 "[ . 1 . 2]" 1
78 1 11 PHE H 1 89 VAL QG 3.500 . 5.900 3.132 2.802 3.571 . 0 0 "[ . 1 . 2]" 1
79 1 11 PHE H 1 90 SER HA 5.000 . 5.000 4.456 4.244 4.697 . 0 0 "[ . 1 . 2]" 1
80 1 11 PHE H 1 90 SER H 3.500 . 3.500 2.236 2.010 2.684 . 0 0 "[ . 1 . 2]" 1
81 1 11 PHE H 1 92 ALA H 3.500 . 3.500 2.997 2.465 3.524 0.024 14 0 "[ . 1 . 2]" 1
82 1 12 VAL HA 1 13 GLN H 2.900 . 2.900 2.152 2.140 2.173 . 0 0 "[ . 1 . 2]" 1
83 1 12 VAL HA 1 60 ALA H 5.000 . 5.000 4.959 4.605 5.044 0.044 11 0 "[ . 1 . 2]" 1
84 1 12 VAL HA 1 88 LYS H 3.500 . 3.500 3.477 3.275 3.553 0.053 11 0 "[ . 1 . 2]" 1
85 1 12 VAL H 1 12 VAL HB 3.500 . 3.500 2.992 2.793 3.144 . 0 0 "[ . 1 . 2]" 1
86 1 12 VAL HB 1 60 ALA H 3.500 . 3.500 3.564 3.507 3.640 0.140 4 0 "[ . 1 . 2]" 1
87 1 12 VAL H 1 12 VAL QG 3.500 . 4.600 2.025 1.887 2.255 . 0 0 "[ . 1 . 2]" 1
88 1 12 VAL QG 1 13 GLN H 2.900 . 5.300 2.875 2.475 3.050 . 0 0 "[ . 1 . 2]" 1
89 1 12 VAL QG 1 60 ALA H 5.000 . 7.400 3.923 3.663 4.122 . 0 0 "[ . 1 . 2]" 1
90 1 12 VAL QG 1 62 VAL H 5.000 . 7.400 2.978 2.631 3.446 . 0 0 "[ . 1 . 2]" 1
91 1 12 VAL QG 1 88 LYS H 3.500 . 5.900 2.951 2.352 3.289 . 0 0 "[ . 1 . 2]" 1
92 1 12 VAL QG 1 90 SER H 5.000 . 7.400 4.121 3.857 4.355 . 0 0 "[ . 1 . 2]" 1
93 1 12 VAL H 1 13 GLN H 5.000 . 5.000 4.335 4.274 4.450 . 0 0 "[ . 1 . 2]" 1
94 1 12 VAL H 1 60 ALA HA 5.000 . 5.000 4.946 4.623 5.036 0.036 14 0 "[ . 1 . 2]" 1
95 1 12 VAL H 1 61 THR HA 5.000 . 5.000 2.624 2.145 2.988 . 0 0 "[ . 1 . 2]" 1
96 1 12 VAL H 1 61 THR MG 3.500 . 5.000 3.848 3.466 4.049 . 0 0 "[ . 1 . 2]" 1
97 1 12 VAL H 1 62 VAL HB 5.000 . 5.000 5.060 5.029 5.099 0.099 7 0 "[ . 1 . 2]" 1
98 1 12 VAL H 1 62 VAL QG 5.000 . 7.400 4.102 3.489 5.214 . 0 0 "[ . 1 . 2]" 1
99 1 13 GLN HA 1 13 GLN HE22 3.500 . 3.500 3.547 3.326 3.631 0.131 3 0 "[ . 1 . 2]" 1
100 1 13 GLN HA 1 14 GLY H 2.900 . 2.900 2.191 2.164 2.256 . 0 0 "[ . 1 . 2]" 1
101 1 13 GLN H 1 13 GLN QB 3.500 . 4.100 2.564 2.312 3.017 . 0 0 "[ . 1 . 2]" 1
102 1 13 GLN QB 1 14 GLY H 3.500 . 4.500 3.226 3.002 3.503 . 0 0 "[ . 1 . 2]" 1
103 1 13 GLN HE22 1 13 GLN QG 3.500 . 4.500 3.339 3.234 3.483 . 0 0 "[ . 1 . 2]" 1
104 1 13 GLN QG 1 14 GLY H 5.000 . 6.000 4.016 2.904 4.861 . 0 0 "[ . 1 . 2]" 1
105 1 13 GLN H 1 14 GLY QA 5.000 . 6.000 4.707 4.549 4.802 . 0 0 "[ . 1 . 2]" 1
106 1 13 GLN H 1 14 GLY H 5.000 . 5.000 4.410 4.337 4.503 . 0 0 "[ . 1 . 2]" 1
107 1 13 GLN H 1 15 LEU QD 5.000 . 7.400 4.138 3.637 4.747 . 0 0 "[ . 1 . 2]" 1
108 1 13 GLN H 1 87 ILE HA 5.000 . 5.000 4.197 3.887 4.410 . 0 0 "[ . 1 . 2]" 1
109 1 13 GLN H 1 88 LYS H 3.500 . 3.500 2.242 1.973 2.348 . 0 0 "[ . 1 . 2]" 1
110 1 14 GLY QA 1 88 LYS H 5.000 . 6.000 4.026 3.781 4.197 . 0 0 "[ . 1 . 2]" 1
111 1 14 GLY H 1 15 LEU HG 5.000 . 5.000 4.125 2.770 5.126 0.126 4 0 "[ . 1 . 2]" 1
112 1 14 GLY H 1 15 LEU H 2.900 . 2.900 2.291 1.825 2.873 . 0 0 "[ . 1 . 2]" 1
113 1 14 GLY H 1 16 GLY H 5.000 . 5.000 5.057 5.006 5.141 0.141 5 0 "[ . 1 . 2]" 1
114 1 14 GLY H 1 58 GLY QA 5.000 . 6.000 3.818 2.807 4.653 . 0 0 "[ . 1 . 2]" 1
115 1 14 GLY H 1 59 GLU HA 5.000 . 5.000 3.121 2.438 3.768 . 0 0 "[ . 1 . 2]" 1
116 1 15 LEU H 1 15 LEU QB 2.900 . 3.500 2.676 2.227 3.318 . 0 0 "[ . 1 . 2]" 1
117 1 15 LEU QB 1 16 GLY H 3.500 . 4.500 1.875 1.620 2.490 0.180 5 0 "[ . 1 . 2]" 1
118 1 15 LEU H 1 15 LEU QD 3.500 . 5.200 2.327 1.777 3.414 0.023 14 0 "[ . 1 . 2]" 1
119 1 15 LEU QD 1 16 GLY H 5.000 . 7.400 3.227 1.920 3.761 . 0 0 "[ . 1 . 2]" 1
120 1 15 LEU QD 1 60 ALA H 3.500 . 5.900 2.961 2.135 3.961 . 0 0 "[ . 1 . 2]" 1
121 1 15 LEU QD 1 88 LYS H 5.000 . 7.400 4.524 3.952 5.021 . 0 0 "[ . 1 . 2]" 1
122 1 15 LEU H 1 16 GLY H 3.500 . 3.500 3.043 2.586 3.543 0.043 5 0 "[ . 1 . 2]" 1
123 1 15 LEU H 1 58 GLY QA 5.000 . 6.000 3.011 2.062 4.075 . 0 0 "[ . 1 . 2]" 1
124 1 16 GLY QA 1 17 GLU H 2.900 . 3.900 2.304 2.076 2.762 . 0 0 "[ . 1 . 2]" 1
125 1 16 GLY QA 1 18 ASN H 3.500 . 4.500 3.801 3.555 4.036 . 0 0 "[ . 1 . 2]" 1
126 1 16 GLY QA 1 85 ASN HD21 5.000 . 6.000 4.037 2.533 5.242 . 0 0 "[ . 1 . 2]" 1
127 1 16 GLY QA 1 85 ASN HD22 5.000 . 6.000 3.684 2.178 4.853 . 0 0 "[ . 1 . 2]" 1
128 1 16 GLY H 1 17 GLU H 3.500 . 3.500 3.307 2.463 3.606 0.106 12 0 "[ . 1 . 2]" 1
129 1 16 GLY H 1 18 ASN QB 5.000 . 6.000 5.138 4.609 5.510 . 0 0 "[ . 1 . 2]" 1
130 1 16 GLY H 1 18 ASN HD21 5.000 . 5.000 4.358 3.305 5.077 0.077 5 0 "[ . 1 . 2]" 1
131 1 16 GLY H 1 19 VAL QG 3.500 . 5.900 3.508 2.638 4.372 . 0 0 "[ . 1 . 2]" 1
132 1 16 GLY H 1 58 GLY QA 3.500 . 4.500 2.457 1.819 3.873 . 0 0 "[ . 1 . 2]" 1
133 1 17 GLU H 1 17 GLU HA 2.900 . 2.900 2.604 2.271 2.941 0.041 5 0 "[ . 1 . 2]" 1
134 1 17 GLU HA 1 18 ASN H 2.900 . 2.900 2.873 2.720 2.942 0.042 1 0 "[ . 1 . 2]" 1
135 1 17 GLU H 1 17 GLU QB 2.900 . 3.500 2.832 2.262 3.224 . 0 0 "[ . 1 . 2]" 1
136 1 17 GLU QB 1 18 ASN H 3.500 . 4.500 3.854 3.744 4.047 . 0 0 "[ . 1 . 2]" 1
137 1 17 GLU H 1 17 GLU QG 3.500 . 4.500 3.371 2.170 4.170 . 0 0 "[ . 1 . 2]" 1
138 1 17 GLU QG 1 18 ASN H 5.000 . 6.000 4.405 3.594 4.777 . 0 0 "[ . 1 . 2]" 1
139 1 17 GLU H 1 18 ASN H 2.900 . 2.900 2.662 2.156 2.964 0.064 20 0 "[ . 1 . 2]" 1
140 1 17 GLU H 1 19 VAL QG 5.000 . 7.400 4.188 3.512 4.946 . 0 0 "[ . 1 . 2]" 1
141 1 17 GLU H 1 19 VAL H 5.000 . 5.000 4.229 3.709 4.693 . 0 0 "[ . 1 . 2]" 1
142 1 18 ASN H 1 18 ASN HA 2.900 . 2.900 2.913 2.839 2.941 0.041 15 0 "[ . 1 . 2]" 1
143 1 18 ASN HA 1 19 VAL H 3.500 . 3.500 3.209 2.902 3.533 0.033 2 0 "[ . 1 . 2]" 1
144 1 18 ASN QB 1 18 ASN HD22 3.500 . 4.500 3.371 3.289 3.463 . 0 0 "[ . 1 . 2]" 1
145 1 18 ASN H 1 18 ASN QB 2.900 . 3.500 2.898 2.376 3.152 . 0 0 "[ . 1 . 2]" 1
146 1 18 ASN QB 1 19 VAL H 3.500 . 4.500 3.727 2.987 4.034 . 0 0 "[ . 1 . 2]" 1
147 1 18 ASN H 1 18 ASN HD21 5.000 . 5.000 3.103 1.925 3.979 . 0 0 "[ . 1 . 2]" 1
148 1 18 ASN H 1 18 ASN HD22 5.000 . 5.000 4.097 3.641 5.027 0.027 12 0 "[ . 1 . 2]" 1
149 1 18 ASN HD22 1 20 THR H 5.000 . 5.000 4.662 3.291 5.052 0.052 14 0 "[ . 1 . 2]" 1
150 1 18 ASN H 1 19 VAL QG 3.500 . 5.900 3.023 2.373 3.607 . 0 0 "[ . 1 . 2]" 1
151 1 18 ASN H 1 19 VAL H 2.900 . 2.900 2.004 1.749 2.248 0.051 1 0 "[ . 1 . 2]" 1
152 1 19 VAL H 1 19 VAL HA 2.900 . 2.900 2.736 2.324 2.872 . 0 0 "[ . 1 . 2]" 1
153 1 19 VAL HA 1 20 THR H 2.900 . 2.900 2.279 2.129 2.520 . 0 0 "[ . 1 . 2]" 1
154 1 19 VAL H 1 19 VAL HB 2.900 . 2.900 2.633 2.319 3.044 0.144 19 0 "[ . 1 . 2]" 1
155 1 19 VAL HB 1 20 THR H 5.000 . 5.000 4.443 4.263 4.619 . 0 0 "[ . 1 . 2]" 1
156 1 19 VAL H 1 19 VAL QG 2.900 . 4.600 2.155 1.895 2.798 . 0 0 "[ . 1 . 2]" 1
157 1 19 VAL QG 1 20 THR H 2.900 . 5.300 3.247 2.480 3.577 . 0 0 "[ . 1 . 2]" 1
158 1 19 VAL QG 1 58 GLY H 5.000 . 7.400 3.048 2.002 4.538 . 0 0 "[ . 1 . 2]" 1
159 1 19 VAL H 1 20 THR H 5.000 . 5.000 4.072 3.517 4.503 . 0 0 "[ . 1 . 2]" 1
160 1 19 VAL H 1 47 LEU QD 5.000 . 7.400 4.768 3.902 5.377 . 0 0 "[ . 1 . 2]" 1
161 1 19 VAL H 1 56 LEU QD 3.500 . 5.900 3.400 2.048 4.406 . 0 0 "[ . 1 . 2]" 1
162 1 20 THR H 1 20 THR HA 2.900 . 2.900 2.912 2.851 2.945 0.045 7 0 "[ . 1 . 2]" 1
163 1 20 THR HA 1 21 ILE H 2.900 . 2.900 2.271 2.233 2.421 . 0 0 "[ . 1 . 2]" 1
164 1 20 THR HB 1 22 GLU H 2.900 . 2.900 2.940 2.905 2.986 0.086 18 0 "[ . 1 . 2]" 1
165 1 20 THR H 1 20 THR MG 3.500 . 5.000 3.603 3.307 3.849 . 0 0 "[ . 1 . 2]" 1
166 1 20 THR MG 1 21 ILE H 3.500 . 5.000 3.193 2.529 3.743 . 0 0 "[ . 1 . 2]" 1
167 1 20 THR MG 1 22 GLU H 5.000 . 6.500 3.969 3.365 4.449 . 0 0 "[ . 1 . 2]" 1
168 1 20 THR MG 1 23 SER H 3.500 . 5.000 3.904 3.771 4.101 . 0 0 "[ . 1 . 2]" 1
169 1 20 THR H 1 23 SER H 5.000 . 5.000 4.509 4.005 4.855 . 0 0 "[ . 1 . 2]" 1
170 1 20 THR H 1 24 VAL H 5.000 . 5.000 3.892 3.541 4.287 . 0 0 "[ . 1 . 2]" 1
171 1 20 THR H 1 60 ALA MB 5.000 . 6.500 4.852 4.074 5.395 . 0 0 "[ . 1 . 2]" 1
172 1 21 ILE HA 1 22 GLU H 3.500 . 3.500 3.543 3.531 3.553 0.053 3 0 "[ . 1 . 2]" 1
173 1 21 ILE HA 1 23 SER H 5.000 . 5.000 4.472 4.323 4.586 . 0 0 "[ . 1 . 2]" 1
174 1 21 ILE HA 1 24 VAL H 3.500 . 3.500 3.574 3.536 3.607 0.107 18 0 "[ . 1 . 2]" 1
175 1 21 ILE HA 1 25 ALA H 5.000 . 5.000 3.716 3.596 3.923 . 0 0 "[ . 1 . 2]" 1
176 1 21 ILE H 1 21 ILE HB 2.900 . 2.900 2.602 2.433 2.680 . 0 0 "[ . 1 . 2]" 1
177 1 21 ILE HB 1 22 GLU H 2.900 . 2.900 2.519 2.385 2.640 . 0 0 "[ . 1 . 2]" 1
178 1 21 ILE H 1 21 ILE MD 3.500 . 5.000 3.195 1.779 3.742 0.021 19 0 "[ . 1 . 2]" 1
179 1 21 ILE H 1 21 ILE HG13 3.500 . 3.500 2.872 1.993 3.536 0.036 19 0 "[ . 1 . 2]" 1
180 1 21 ILE HG13 1 22 GLU H 5.000 . 5.000 4.491 4.008 4.996 . 0 0 "[ . 1 . 2]" 1
181 1 21 ILE H 1 21 ILE HG12 3.500 . 3.500 2.607 1.910 3.688 0.188 19 0 "[ . 1 . 2]" 1
182 1 21 ILE HG12 1 22 GLU H 5.000 . 5.000 4.431 3.891 5.029 0.029 10 0 "[ . 1 . 2]" 1
183 1 21 ILE MG 1 22 GLU H 3.500 . 5.000 3.509 3.410 3.708 . 0 0 "[ . 1 . 2]" 1
184 1 21 ILE MG 1 45 ILE H 3.500 . 5.000 2.495 2.099 2.958 . 0 0 "[ . 1 . 2]" 1
185 1 21 ILE H 1 22 GLU H 2.900 . 2.900 2.660 2.545 2.776 . 0 0 "[ . 1 . 2]" 1
186 1 21 ILE H 1 23 SER H 5.000 . 5.000 4.054 3.809 4.167 . 0 0 "[ . 1 . 2]" 1
187 1 21 ILE H 1 47 LEU QD 3.500 . 5.900 2.876 2.383 3.287 . 0 0 "[ . 1 . 2]" 1
188 1 22 GLU H 1 22 GLU HA 2.900 . 2.900 2.830 2.818 2.835 . 0 0 "[ . 1 . 2]" 1
189 1 22 GLU HA 1 26 ASP H 5.000 . 5.000 3.838 3.676 4.069 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLU H 1 22 GLU QB 2.900 . 3.500 2.584 2.077 2.980 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLU H 1 22 GLU QG 3.500 . 4.500 2.126 1.850 3.607 . 0 0 "[ . 1 . 2]" 1
192 1 22 GLU QG 1 23 SER H 5.000 . 6.000 2.195 1.942 4.495 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLU H 1 23 SER H 2.900 . 2.900 2.617 2.548 2.663 . 0 0 "[ . 1 . 2]" 1
194 1 23 SER H 1 23 SER HA 2.900 . 2.900 2.827 2.811 2.856 . 0 0 "[ . 1 . 2]" 1
195 1 23 SER HA 1 24 VAL H 3.500 . 3.500 3.536 3.522 3.543 0.043 3 0 "[ . 1 . 2]" 1
196 1 23 SER HA 1 25 ALA H 5.000 . 5.000 4.504 4.373 4.685 . 0 0 "[ . 1 . 2]" 1
197 1 23 SER H 1 23 SER QB 2.900 . 3.500 2.300 2.113 2.729 . 0 0 "[ . 1 . 2]" 1
198 1 23 SER QB 1 24 VAL H 3.500 . 4.500 2.847 2.483 3.406 . 0 0 "[ . 1 . 2]" 1
199 1 23 SER H 1 24 VAL H 2.900 . 2.900 2.616 2.534 2.671 . 0 0 "[ . 1 . 2]" 1
200 1 23 SER H 1 25 ALA H 5.000 . 5.000 3.945 3.771 4.118 . 0 0 "[ . 1 . 2]" 1
201 1 24 VAL HA 1 25 ALA H 3.500 . 3.500 3.506 3.492 3.519 0.019 9 0 "[ . 1 . 2]" 1
202 1 24 VAL HA 1 27 TYR H 3.500 . 3.500 3.486 3.343 3.544 0.044 11 0 "[ . 1 . 2]" 1
203 1 24 VAL HA 1 28 PHE H 5.000 . 5.000 3.837 3.609 4.168 . 0 0 "[ . 1 . 2]" 1
204 1 24 VAL H 1 24 VAL HB 2.900 . 2.900 2.540 2.402 2.616 . 0 0 "[ . 1 . 2]" 1
205 1 24 VAL HB 1 25 ALA H 2.900 . 2.900 2.599 2.403 2.714 . 0 0 "[ . 1 . 2]" 1
206 1 24 VAL HB 1 26 ASP H 5.000 . 5.000 4.859 4.708 4.991 . 0 0 "[ . 1 . 2]" 1
207 1 24 VAL H 1 24 VAL QG 2.900 . 4.600 2.174 2.024 2.358 . 0 0 "[ . 1 . 2]" 1
208 1 24 VAL QG 1 25 ALA H 2.900 . 5.300 3.232 3.159 3.312 . 0 0 "[ . 1 . 2]" 1
209 1 24 VAL QG 1 28 PHE H 3.500 . 5.900 3.809 3.564 4.074 . 0 0 "[ . 1 . 2]" 1
210 1 24 VAL H 1 25 ALA H 2.900 . 2.900 2.452 2.407 2.522 . 0 0 "[ . 1 . 2]" 1
211 1 25 ALA HA 1 26 ASP H 3.500 . 3.500 3.489 3.482 3.503 0.003 18 0 "[ . 1 . 2]" 1
212 1 25 ALA HA 1 27 TYR H 5.000 . 5.000 4.460 4.376 4.549 . 0 0 "[ . 1 . 2]" 1
213 1 25 ALA HA 1 28 PHE H 3.500 . 3.500 3.520 3.481 3.563 0.063 10 0 "[ . 1 . 2]" 1
214 1 25 ALA HA 1 29 LYS H 5.000 . 5.000 4.701 3.302 5.007 0.007 15 0 "[ . 1 . 2]" 1
215 1 25 ALA H 1 25 ALA MB 2.900 . 4.000 2.165 2.062 2.227 . 0 0 "[ . 1 . 2]" 1
216 1 25 ALA MB 1 26 ASP H 2.900 . 4.400 2.778 2.692 2.854 . 0 0 "[ . 1 . 2]" 1
217 1 25 ALA MB 1 27 TYR H 5.000 . 6.500 4.676 4.605 4.726 . 0 0 "[ . 1 . 2]" 1
218 1 25 ALA H 1 26 ASP H 2.900 . 2.900 2.553 2.520 2.625 . 0 0 "[ . 1 . 2]" 1
219 1 25 ALA H 1 27 TYR H 5.000 . 5.000 4.238 4.134 4.326 . 0 0 "[ . 1 . 2]" 1
220 1 26 ASP H 1 26 ASP HA 2.900 . 2.900 2.849 2.837 2.854 . 0 0 "[ . 1 . 2]" 1
221 1 26 ASP HA 1 27 TYR H 3.500 . 3.500 3.540 3.528 3.554 0.054 11 0 "[ . 1 . 2]" 1
222 1 26 ASP H 1 26 ASP QB 2.900 . 3.500 2.219 2.108 2.272 . 0 0 "[ . 1 . 2]" 1
223 1 26 ASP QB 1 27 TYR H 3.500 . 4.500 2.792 2.557 3.454 . 0 0 "[ . 1 . 2]" 1
224 1 26 ASP QB 1 28 PHE H 5.000 . 6.000 4.634 4.504 5.075 . 0 0 "[ . 1 . 2]" 1
225 1 26 ASP H 1 27 TYR H 2.900 . 2.900 2.575 2.549 2.622 . 0 0 "[ . 1 . 2]" 1
226 1 26 ASP H 1 28 PHE H 5.000 . 5.000 3.795 3.716 3.871 . 0 0 "[ . 1 . 2]" 1
227 1 27 TYR H 1 27 TYR HA 2.900 . 2.900 2.911 2.893 2.935 0.035 14 0 "[ . 1 . 2]" 1
228 1 27 TYR HA 1 28 PHE H 3.500 . 3.500 3.453 3.434 3.483 . 0 0 "[ . 1 . 2]" 1
229 1 27 TYR H 1 27 TYR QB 2.900 . 3.500 2.264 2.193 2.387 . 0 0 "[ . 1 . 2]" 1
230 1 27 TYR QB 1 28 PHE H 2.900 . 3.900 3.522 3.463 3.600 . 0 0 "[ . 1 . 2]" 1
231 1 27 TYR H 1 27 TYR QD 3.500 . 5.500 2.621 2.198 3.095 . 0 0 "[ . 1 . 2]" 1
232 1 27 TYR QD 1 28 PHE H 3.500 . 5.500 2.707 2.285 3.593 . 0 0 "[ . 1 . 2]" 1
233 1 27 TYR H 1 28 PHE H 2.900 . 2.900 2.296 2.188 2.379 . 0 0 "[ . 1 . 2]" 1
234 1 28 PHE HA 1 29 LYS H 3.500 . 3.500 3.070 2.827 3.429 . 0 0 "[ . 1 . 2]" 1
235 1 28 PHE HA 1 30 GLN H 3.500 . 3.500 3.281 3.206 3.379 . 0 0 "[ . 1 . 2]" 1
236 1 28 PHE H 1 28 PHE QB 3.500 . 4.100 2.248 2.150 2.358 . 0 0 "[ . 1 . 2]" 1
237 1 28 PHE QB 1 29 LYS H 3.500 . 4.500 3.654 3.207 3.859 . 0 0 "[ . 1 . 2]" 1
238 1 28 PHE H 1 29 LYS H 2.900 . 2.900 2.701 2.300 2.935 0.035 17 0 "[ . 1 . 2]" 1
239 1 29 LYS H 1 29 LYS HA 2.900 . 2.900 2.928 2.895 2.943 0.043 5 0 "[ . 1 . 2]" 1
240 1 29 LYS HA 1 30 GLN H 3.500 . 3.500 3.046 2.917 3.249 . 0 0 "[ . 1 . 2]" 1
241 1 29 LYS HA 1 31 ILE H 5.000 . 5.000 4.229 3.951 4.625 . 0 0 "[ . 1 . 2]" 1
242 1 29 LYS HA 1 32 GLY H 3.500 . 3.500 3.500 3.288 3.543 0.043 6 0 "[ . 1 . 2]" 1
243 1 29 LYS HA 1 34 ILE H 5.000 . 5.000 4.149 3.041 4.751 . 0 0 "[ . 1 . 2]" 1
244 1 29 LYS H 1 29 LYS QB 2.900 . 3.500 2.776 2.321 3.050 . 0 0 "[ . 1 . 2]" 1
245 1 29 LYS QB 1 32 GLY H 5.000 . 6.000 5.065 4.832 5.173 . 0 0 "[ . 1 . 2]" 1
246 1 29 LYS H 1 29 LYS QG 2.900 . 3.900 2.247 1.910 3.504 . 0 0 "[ . 1 . 2]" 1
247 1 29 LYS QG 1 30 GLN H 3.500 . 4.500 3.477 3.221 3.731 . 0 0 "[ . 1 . 2]" 1
248 1 29 LYS H 1 30 GLN H 2.900 . 2.900 2.554 2.117 2.862 . 0 0 "[ . 1 . 2]" 1
249 1 29 LYS H 1 34 ILE MD 3.500 . 5.000 3.477 2.797 4.038 . 0 0 "[ . 1 . 2]" 1
250 1 30 GLN H 1 30 GLN HA 2.900 . 2.900 2.926 2.890 2.939 0.039 18 0 "[ . 1 . 2]" 1
251 1 30 GLN HA 1 31 ILE H 3.500 . 3.500 3.517 3.474 3.558 0.058 11 0 "[ . 1 . 2]" 1
252 1 30 GLN H 1 30 GLN QB 2.900 . 3.500 2.441 2.100 3.082 . 0 0 "[ . 1 . 2]" 1
253 1 30 GLN QB 1 31 ILE H 3.500 . 4.500 2.852 2.464 3.420 . 0 0 "[ . 1 . 2]" 1
254 1 30 GLN H 1 30 GLN QG 2.900 . 3.900 2.877 1.896 3.585 . 0 0 "[ . 1 . 2]" 1
255 1 30 GLN H 1 31 ILE H 2.900 . 2.900 2.131 1.967 2.489 . 0 0 "[ . 1 . 2]" 1
256 1 30 GLN H 1 32 GLY H 3.500 . 3.500 3.474 3.280 3.551 0.051 11 0 "[ . 1 . 2]" 1
257 1 30 GLN H 1 77 PHE QE 3.500 . 5.500 5.184 4.968 5.279 . 0 0 "[ . 1 . 2]" 1
258 1 31 ILE H 1 31 ILE HA 2.900 . 2.900 2.858 2.796 2.900 0.000 3 0 "[ . 1 . 2]" 1
259 1 31 ILE HA 1 32 GLY H 3.500 . 3.500 3.510 3.479 3.537 0.037 3 0 "[ . 1 . 2]" 1
260 1 31 ILE H 1 31 ILE HB 3.500 . 3.500 2.532 2.446 2.615 . 0 0 "[ . 1 . 2]" 1
261 1 31 ILE HB 1 32 GLY H 5.000 . 5.000 3.907 3.777 4.004 . 0 0 "[ . 1 . 2]" 1
262 1 31 ILE H 1 31 ILE MD 3.500 . 5.000 4.115 3.931 4.186 . 0 0 "[ . 1 . 2]" 1
263 1 31 ILE MD 1 32 GLY H 5.000 . 6.500 4.907 4.780 5.062 . 0 0 "[ . 1 . 2]" 1
264 1 31 ILE MD 1 76 TRP H 5.000 . 5.000 3.506 3.191 3.815 . 0 0 "[ . 1 . 2]" 1
265 1 31 ILE H 1 31 ILE HG13 5.000 . 5.000 4.419 4.376 4.461 . 0 0 "[ . 1 . 2]" 1
266 1 31 ILE HG13 1 32 GLY H 5.000 . 5.000 4.212 3.987 4.517 . 0 0 "[ . 1 . 2]" 1
267 1 31 ILE H 1 31 ILE HG12 5.000 . 5.000 4.684 4.626 4.744 . 0 0 "[ . 1 . 2]" 1
268 1 31 ILE HG12 1 32 GLY H 5.000 . 5.000 4.719 4.437 4.985 . 0 0 "[ . 1 . 2]" 1
269 1 31 ILE HG12 1 73 ALA H 5.000 . 5.000 2.989 2.561 3.251 . 0 0 "[ . 1 . 2]" 1
270 1 31 ILE H 1 31 ILE MG 2.900 . 4.400 2.153 2.007 2.403 . 0 0 "[ . 1 . 2]" 1
271 1 31 ILE MG 1 32 GLY H 2.900 . 4.400 2.012 1.904 2.226 . 0 0 "[ . 1 . 2]" 1
272 1 31 ILE MG 1 73 ALA H 3.500 . 5.000 3.864 3.478 4.039 . 0 0 "[ . 1 . 2]" 1
273 1 31 ILE H 1 32 GLY H 2.900 . 2.900 2.470 2.317 2.624 . 0 0 "[ . 1 . 2]" 1
274 1 31 ILE H 1 77 PHE QE 3.500 . 5.500 4.360 3.939 4.629 . 0 0 "[ . 1 . 2]" 1
275 1 32 GLY QA 1 33 ILE H 2.900 . 3.900 2.243 2.178 2.281 . 0 0 "[ . 1 . 2]" 1
276 1 32 GLY H 1 33 ILE H 5.000 . 5.000 4.333 4.238 4.386 . 0 0 "[ . 1 . 2]" 1
277 1 32 GLY H 1 34 ILE MD 5.000 . 6.500 5.073 4.722 5.316 . 0 0 "[ . 1 . 2]" 1
278 1 33 ILE H 1 33 ILE HA 2.900 . 2.900 2.922 2.872 2.938 0.038 10 0 "[ . 1 . 2]" 1
279 1 33 ILE HA 1 34 ILE H 2.900 . 2.900 2.200 2.165 2.239 . 0 0 "[ . 1 . 2]" 1
280 1 33 ILE H 1 33 ILE HB 2.900 . 2.900 2.748 2.633 2.856 . 0 0 "[ . 1 . 2]" 1
281 1 33 ILE HB 1 34 ILE H 5.000 . 5.000 3.939 3.636 4.275 . 0 0 "[ . 1 . 2]" 1
282 1 33 ILE HB 1 65 ASP H 5.000 . 5.000 3.092 2.449 3.245 . 0 0 "[ . 1 . 2]" 1
283 1 33 ILE HB 1 66 ASP H 5.000 . 5.000 4.274 4.024 5.027 0.027 9 0 "[ . 1 . 2]" 1
284 1 33 ILE H 1 33 ILE MD 2.900 . 4.400 3.654 2.044 3.778 . 0 0 "[ . 1 . 2]" 1
285 1 33 ILE MD 1 66 ASP H 5.000 . 6.500 5.292 4.766 5.375 . 0 0 "[ . 1 . 2]" 1
286 1 33 ILE H 1 33 ILE HG13 2.900 . 2.900 2.158 2.101 2.259 . 0 0 "[ . 1 . 2]" 1
287 1 33 ILE HG13 1 65 ASP H 5.000 . 5.000 5.028 5.003 5.119 0.119 9 0 "[ . 1 . 2]" 1
288 1 33 ILE H 1 33 ILE HG12 3.500 . 3.500 3.212 2.836 3.552 0.052 9 0 "[ . 1 . 2]" 1
289 1 33 ILE HG12 1 34 ILE H 5.000 . 5.000 4.700 4.433 5.058 0.058 9 0 "[ . 1 . 2]" 1
290 1 33 ILE MG 1 34 ILE H 2.900 . 4.400 2.511 2.073 3.186 . 0 0 "[ . 1 . 2]" 1
291 1 33 ILE H 1 34 ILE H 5.000 . 5.000 4.457 4.227 4.580 . 0 0 "[ . 1 . 2]" 1
292 1 33 ILE H 1 64 PHE QD 5.000 . 7.000 3.488 2.753 4.451 . 0 0 "[ . 1 . 2]" 1
293 1 33 ILE H 1 65 ASP QB 5.000 . 6.000 4.071 3.712 4.844 . 0 0 "[ . 1 . 2]" 1
294 1 34 ILE HA 1 35 LYS H 2.900 . 2.900 2.157 2.117 2.190 . 0 0 "[ . 1 . 2]" 1
295 1 34 ILE HA 1 65 ASP H 3.500 . 3.500 3.252 2.872 3.543 0.043 7 0 "[ . 1 . 2]" 1
296 1 34 ILE H 1 34 ILE HB 2.900 . 2.900 2.589 2.441 2.684 . 0 0 "[ . 1 . 2]" 1
297 1 34 ILE HB 1 35 LYS H 5.000 . 5.000 4.091 3.900 4.277 . 0 0 "[ . 1 . 2]" 1
298 1 34 ILE H 1 34 ILE HG12 5.000 . 5.000 3.843 2.607 4.282 . 0 0 "[ . 1 . 2]" 1
299 1 34 ILE HG12 1 35 LYS H 5.000 . 5.000 4.745 4.343 5.035 0.035 2 0 "[ . 1 . 2]" 1
300 1 34 ILE H 1 34 ILE MG 3.500 . 5.000 3.806 3.752 3.845 . 0 0 "[ . 1 . 2]" 1
301 1 34 ILE MG 1 63 SER H 3.500 . 5.000 2.878 2.524 3.253 . 0 0 "[ . 1 . 2]" 1
302 1 35 LYS HA 1 36 THR H 2.900 . 2.900 2.210 2.119 2.264 . 0 0 "[ . 1 . 2]" 1
303 1 35 LYS HA 1 65 ASP H 5.000 . 5.000 3.965 3.417 4.404 . 0 0 "[ . 1 . 2]" 1
304 1 35 LYS H 1 35 LYS QB 2.900 . 3.500 2.418 2.030 2.659 . 0 0 "[ . 1 . 2]" 1
305 1 35 LYS QB 1 36 THR H 3.500 . 4.500 3.711 3.386 4.024 . 0 0 "[ . 1 . 2]" 1
306 1 35 LYS QB 1 64 PHE H 5.000 . 6.000 4.007 3.016 5.228 . 0 0 "[ . 1 . 2]" 1
307 1 35 LYS QB 1 65 ASP H 5.000 . 6.000 4.663 3.404 5.289 . 0 0 "[ . 1 . 2]" 1
308 1 35 LYS QD 1 66 ASP H 5.000 . 6.000 5.134 4.951 5.473 . 0 0 "[ . 1 . 2]" 1
309 1 35 LYS H 1 35 LYS QE 5.000 . 6.000 4.459 3.396 5.400 . 0 0 "[ . 1 . 2]" 1
310 1 35 LYS QG 1 63 SER H 5.000 . 6.000 5.067 4.464 5.426 . 0 0 "[ . 1 . 2]" 1
311 1 35 LYS H 1 63 SER H 5.000 . 5.000 4.532 4.083 4.864 . 0 0 "[ . 1 . 2]" 1
312 1 35 LYS H 1 64 PHE HA 2.900 . 2.900 2.335 1.913 2.653 . 0 0 "[ . 1 . 2]" 1
313 1 35 LYS H 1 64 PHE QD 5.000 . 7.000 4.205 3.203 4.890 . 0 0 "[ . 1 . 2]" 1
314 1 35 LYS H 1 65 ASP H 3.500 . 3.500 3.312 2.652 3.535 0.035 16 0 "[ . 1 . 2]" 1
315 1 36 THR HA 1 37 ASN H 2.900 . 2.900 2.308 2.161 2.587 . 0 0 "[ . 1 . 2]" 1
316 1 36 THR HA 1 42 GLN HE21 5.000 . 5.000 4.876 4.228 5.081 0.081 15 0 "[ . 1 . 2]" 1
317 1 36 THR H 1 36 THR HB 2.900 . 2.900 2.929 2.784 3.072 0.172 6 0 "[ . 1 . 2]" 1
318 1 36 THR HB 1 37 ASN H 3.500 . 3.500 3.468 2.694 3.622 0.122 7 0 "[ . 1 . 2]" 1
319 1 36 THR MG 1 37 ASN H 2.900 . 4.400 2.579 1.935 3.851 . 0 0 "[ . 1 . 2]" 1
320 1 36 THR MG 1 41 GLY H 5.000 . 6.500 4.279 3.525 5.445 . 0 0 "[ . 1 . 2]" 1
321 1 36 THR MG 1 42 GLN H 5.000 . 6.500 3.274 2.539 4.706 . 0 0 "[ . 1 . 2]" 1
322 1 36 THR H 1 37 ASN H 5.000 . 5.000 4.600 4.511 4.650 . 0 0 "[ . 1 . 2]" 1
323 1 36 THR H 1 43 PRO QG 5.000 . 6.000 5.112 4.767 5.440 . 0 0 "[ . 1 . 2]" 1
324 1 36 THR H 1 44 MET H 5.000 . 5.000 4.508 3.823 4.931 . 0 0 "[ . 1 . 2]" 1
325 1 37 ASN HA 1 38 LYS H 5.000 . 5.000 2.317 2.108 3.516 . 0 0 "[ . 1 . 2]" 1
326 1 37 ASN HA 1 39 LYS H 5.000 . 5.000 3.733 3.303 4.217 . 0 0 "[ . 1 . 2]" 1
327 1 37 ASN HA 1 42 GLN H 5.000 . 5.000 5.058 4.679 5.182 0.182 6 0 "[ . 1 . 2]" 1
328 1 37 ASN H 1 37 ASN QB 2.900 . 3.500 2.557 2.084 3.068 . 0 0 "[ . 1 . 2]" 1
329 1 37 ASN QB 1 39 LYS H 5.000 . 6.000 2.625 2.088 3.610 . 0 0 "[ . 1 . 2]" 1
330 1 37 ASN QB 1 40 THR H 3.500 . 4.500 2.511 1.816 3.877 . 0 0 "[ . 1 . 2]" 1
331 1 37 ASN QB 1 41 GLY H 3.500 . 4.500 3.216 2.481 4.096 . 0 0 "[ . 1 . 2]" 1
332 1 37 ASN QB 1 42 GLN H 3.500 . 4.500 3.308 1.948 4.111 . 0 0 "[ . 1 . 2]" 1
333 1 37 ASN H 1 37 ASN HD21 3.500 . 3.500 3.502 2.636 3.678 0.178 5 0 "[ . 1 . 2]" 1
334 1 37 ASN HD22 1 40 THR MG 5.000 . 6.500 3.460 1.837 5.263 . 0 0 "[ . 1 . 2]" 1
335 1 37 ASN HD22 1 40 THR H 5.000 . 5.000 4.034 1.984 5.144 0.144 8 0 "[ . 1 . 2]" 1
336 1 37 ASN H 1 38 LYS QD 5.000 . 6.000 5.044 4.580 5.390 . 0 0 "[ . 1 . 2]" 1
337 1 37 ASN H 1 42 GLN H 3.500 . 3.500 2.851 2.595 3.065 . 0 0 "[ . 1 . 2]" 1
338 1 37 ASN H 1 44 MET QG 3.500 . 4.500 3.346 2.191 4.155 . 0 0 "[ . 1 . 2]" 1
339 1 38 LYS HA 1 39 LYS H 3.500 . 3.500 3.331 3.220 3.479 . 0 0 "[ . 1 . 2]" 1
340 1 38 LYS HA 1 40 THR H 5.000 . 5.000 4.422 4.036 4.670 . 0 0 "[ . 1 . 2]" 1
341 1 38 LYS HA 1 41 GLY H 3.500 . 3.500 3.518 3.406 3.575 0.075 9 0 "[ . 1 . 2]" 1
342 1 38 LYS H 1 39 LYS H 5.000 . 5.000 2.500 1.881 2.962 . 0 0 "[ . 1 . 2]" 1
343 1 39 LYS H 1 39 LYS HA 2.900 . 2.900 2.913 2.886 2.937 0.037 15 0 "[ . 1 . 2]" 1
344 1 39 LYS HA 1 40 THR H 3.500 . 3.500 3.512 3.433 3.554 0.054 6 0 "[ . 1 . 2]" 1
345 1 39 LYS H 1 39 LYS QB 2.900 . 3.500 2.391 2.119 2.894 . 0 0 "[ . 1 . 2]" 1
346 1 39 LYS QB 1 40 THR H 2.900 . 3.900 2.753 2.424 3.376 . 0 0 "[ . 1 . 2]" 1
347 1 39 LYS QB 1 41 GLY H 5.000 . 6.000 4.401 4.128 4.855 . 0 0 "[ . 1 . 2]" 1
348 1 39 LYS H 1 39 LYS QD 5.000 . 6.000 3.558 1.960 4.482 . 0 0 "[ . 1 . 2]" 1
349 1 39 LYS QD 1 40 THR H 5.000 . 6.000 4.162 2.514 5.079 . 0 0 "[ . 1 . 2]" 1
350 1 39 LYS H 1 39 LYS QG 3.500 . 4.500 3.237 1.817 4.101 . 0 0 "[ . 1 . 2]" 1
351 1 39 LYS H 1 40 THR MG 5.000 . 6.500 4.379 3.904 5.083 . 0 0 "[ . 1 . 2]" 1
352 1 39 LYS H 1 40 THR H 2.900 . 2.900 2.213 1.922 2.470 . 0 0 "[ . 1 . 2]" 1
353 1 39 LYS H 1 41 GLY H 3.500 . 3.500 3.143 2.929 3.385 . 0 0 "[ . 1 . 2]" 1
354 1 39 LYS H 1 42 GLN H 5.000 . 5.000 5.045 4.930 5.139 0.139 20 0 "[ . 1 . 2]" 1
355 1 40 THR H 1 40 THR HA 2.900 . 2.900 2.938 2.929 2.943 0.043 3 0 "[ . 1 . 2]" 1
356 1 40 THR HA 1 41 GLY H 3.500 . 3.500 3.386 3.297 3.480 . 0 0 "[ . 1 . 2]" 1
357 1 40 THR HB 1 42 GLN H 3.500 . 3.500 3.444 2.395 3.785 0.285 12 0 "[ . 1 . 2]" 1
358 1 40 THR H 1 40 THR MG 2.900 . 4.400 2.837 2.253 3.725 . 0 0 "[ . 1 . 2]" 1
359 1 40 THR MG 1 41 GLY H 3.500 . 5.000 3.922 2.623 4.334 . 0 0 "[ . 1 . 2]" 1
360 1 40 THR MG 1 42 GLN H 3.500 . 5.000 3.808 1.702 4.296 0.098 10 0 "[ . 1 . 2]" 1
361 1 40 THR H 1 41 GLY QA 3.500 . 4.500 3.966 3.790 4.095 . 0 0 "[ . 1 . 2]" 1
362 1 40 THR H 1 41 GLY H 2.900 . 2.900 2.011 1.804 2.205 . 0 0 "[ . 1 . 2]" 1
363 1 40 THR H 1 42 GLN H 3.500 . 3.500 3.536 3.384 3.668 0.168 17 0 "[ . 1 . 2]" 1
364 1 40 THR H 1 44 MET QG 5.000 . 6.000 5.474 5.403 5.533 . 0 0 "[ . 1 . 2]" 1
365 1 41 GLY QA 1 42 GLN H 3.500 . 4.500 2.902 2.863 2.937 . 0 0 "[ . 1 . 2]" 1
366 1 41 GLY H 1 42 GLN H 2.900 . 2.900 2.580 2.222 2.753 . 0 0 "[ . 1 . 2]" 1
367 1 42 GLN H 1 42 GLN HA 2.900 . 2.900 2.943 2.933 2.954 0.054 19 0 "[ . 1 . 2]" 1
368 1 42 GLN H 1 42 GLN QB 2.900 . 3.500 2.737 2.495 3.201 . 0 0 "[ . 1 . 2]" 1
369 1 42 GLN HE21 1 43 PRO QB 5.000 . 6.000 3.920 2.245 5.301 . 0 0 "[ . 1 . 2]" 1
370 1 42 GLN HE21 1 44 MET H 5.000 . 5.000 4.876 4.364 5.033 0.033 6 0 "[ . 1 . 2]" 1
371 1 42 GLN H 1 42 GLN QG 2.900 . 3.900 2.931 1.857 3.680 . 0 0 "[ . 1 . 2]" 1
372 1 42 GLN H 1 43 PRO QD 5.000 . 6.000 4.389 4.348 4.411 . 0 0 "[ . 1 . 2]" 1
373 1 43 PRO HA 1 44 MET H 2.900 . 2.900 2.282 2.178 2.347 . 0 0 "[ . 1 . 2]" 1
374 1 43 PRO QD 1 44 MET H 5.000 . 6.000 4.996 4.907 5.034 . 0 0 "[ . 1 . 2]" 1
375 1 44 MET H 1 44 MET HA 2.900 . 2.900 2.936 2.916 2.944 0.044 6 0 "[ . 1 . 2]" 1
376 1 44 MET HA 1 45 ILE H 2.900 . 2.900 2.114 2.089 2.151 . 0 0 "[ . 1 . 2]" 1
377 1 44 MET H 1 44 MET QB 2.900 . 3.500 2.403 2.255 2.611 . 0 0 "[ . 1 . 2]" 1
378 1 44 MET QB 1 45 ILE H 3.500 . 4.500 3.337 3.153 3.501 . 0 0 "[ . 1 . 2]" 1
379 1 44 MET QB 1 63 SER H 5.000 . 6.000 4.328 4.051 4.550 . 0 0 "[ . 1 . 2]" 1
380 1 44 MET QG 1 45 ILE H 5.000 . 6.000 3.860 3.493 4.373 . 0 0 "[ . 1 . 2]" 1
381 1 44 MET H 1 45 ILE H 5.000 . 5.000 4.339 4.228 4.471 . 0 0 "[ . 1 . 2]" 1
382 1 45 ILE HA 1 46 ASN H 2.900 . 2.900 2.234 2.174 2.286 . 0 0 "[ . 1 . 2]" 1
383 1 45 ILE H 1 45 ILE HB 3.500 . 3.500 2.768 2.708 2.840 . 0 0 "[ . 1 . 2]" 1
384 1 45 ILE HB 1 46 ASN H 5.000 . 5.000 4.093 3.818 4.257 . 0 0 "[ . 1 . 2]" 1
385 1 45 ILE HB 1 63 SER H 5.000 . 5.000 5.076 5.036 5.198 0.198 18 0 "[ . 1 . 2]" 1
386 1 45 ILE MD 1 46 ASN H 5.000 . 6.500 5.055 4.880 5.151 . 0 0 "[ . 1 . 2]" 1
387 1 45 ILE HG12 1 62 VAL H 5.000 . 5.000 4.627 4.287 5.006 0.006 11 0 "[ . 1 . 2]" 1
388 1 45 ILE HG12 1 63 SER H 5.000 . 5.000 3.309 2.573 3.976 . 0 0 "[ . 1 . 2]" 1
389 1 45 ILE H 1 45 ILE MG 3.500 . 5.000 3.843 3.703 3.923 . 0 0 "[ . 1 . 2]" 1
390 1 45 ILE MG 1 46 ASN H 3.500 . 5.000 2.227 1.960 2.478 . 0 0 "[ . 1 . 2]" 1
391 1 45 ILE MG 1 61 THR H 5.000 . 6.500 3.108 2.425 3.706 . 0 0 "[ . 1 . 2]" 1
392 1 45 ILE H 1 46 ASN H 5.000 . 5.000 4.318 4.212 4.379 . 0 0 "[ . 1 . 2]" 1
393 1 46 ASN HA 1 47 LEU H 2.900 . 2.900 2.214 2.134 2.286 . 0 0 "[ . 1 . 2]" 1
394 1 46 ASN H 1 46 ASN QB 2.900 . 3.500 2.470 2.186 2.746 . 0 0 "[ . 1 . 2]" 1
395 1 46 ASN QB 1 47 LEU H 3.500 . 4.500 3.245 2.738 3.855 . 0 0 "[ . 1 . 2]" 1
396 1 46 ASN QB 1 61 THR H 3.500 . 4.500 2.831 2.522 3.427 . 0 0 "[ . 1 . 2]" 1
397 1 46 ASN H 1 46 ASN HD21 5.000 . 5.000 3.874 1.989 4.936 . 0 0 "[ . 1 . 2]" 1
398 1 46 ASN H 1 47 LEU H 5.000 . 5.000 4.464 4.240 4.564 . 0 0 "[ . 1 . 2]" 1
399 1 46 ASN H 1 60 ALA MB 3.500 . 5.000 3.939 3.847 4.045 . 0 0 "[ . 1 . 2]" 1
400 1 46 ASN H 1 62 VAL QG 5.000 . 7.400 4.339 3.852 4.963 . 0 0 "[ . 1 . 2]" 1
401 1 47 LEU HA 1 48 TYR H 3.500 . 3.500 2.245 2.144 2.455 . 0 0 "[ . 1 . 2]" 1
402 1 47 LEU HA 1 61 THR H 3.500 . 3.500 3.510 3.363 3.589 0.089 1 0 "[ . 1 . 2]" 1
403 1 47 LEU H 1 47 LEU QB 3.500 . 4.100 3.016 2.807 3.330 . 0 0 "[ . 1 . 2]" 1
404 1 47 LEU H 1 47 LEU QD 3.500 . 5.200 2.603 1.895 3.306 . 0 0 "[ . 1 . 2]" 1
405 1 47 LEU QD 1 48 TYR H 5.000 . 5.900 4.085 3.645 4.404 . 0 0 "[ . 1 . 2]" 1
406 1 47 LEU QD 1 61 THR H 5.000 . 7.400 4.261 3.575 5.064 . 0 0 "[ . 1 . 2]" 1
407 1 47 LEU H 1 47 LEU HG 3.500 . 3.500 2.564 2.084 3.392 . 0 0 "[ . 1 . 2]" 1
408 1 48 TYR QB 1 49 THR H 5.000 . 6.000 3.380 2.752 3.827 . 0 0 "[ . 1 . 2]" 1
409 1 48 TYR H 1 48 TYR QD 5.000 . 5.500 2.980 1.991 3.671 . 0 0 "[ . 1 . 2]" 1
410 1 48 TYR H 1 60 ALA HA 5.000 . 5.000 3.332 2.831 3.713 . 0 0 "[ . 1 . 2]" 1
411 1 49 THR HB 1 50 ASP H 3.500 . 3.500 2.735 2.195 3.546 0.046 6 0 "[ . 1 . 2]" 1
412 1 49 THR MG 1 50 ASP H 3.500 . 5.000 3.885 3.410 4.249 . 0 0 "[ . 1 . 2]" 1
413 1 49 THR MG 1 57 LYS H 3.500 . 5.000 3.590 2.160 4.280 . 0 0 "[ . 1 . 2]" 1
414 1 50 ASP HA 1 51 ARG H 5.000 . 5.000 2.192 2.133 2.267 . 0 0 "[ . 1 . 2]" 1
415 1 50 ASP HA 1 52 GLU H 5.000 . 5.000 3.835 3.329 5.001 0.001 17 0 "[ . 1 . 2]" 1
416 1 50 ASP H 1 50 ASP QB 2.900 . 3.500 2.339 2.053 3.375 . 0 0 "[ . 1 . 2]" 1
417 1 50 ASP QB 1 53 THR H 3.500 . 4.500 2.992 2.124 4.117 . 0 0 "[ . 1 . 2]" 1
418 1 50 ASP QB 1 54 GLY H 3.500 . 4.500 2.857 1.927 4.069 . 0 0 "[ . 1 . 2]" 1
419 1 50 ASP QB 1 55 LYS H 3.500 . 4.500 2.752 1.853 3.888 . 0 0 "[ . 1 . 2]" 1
420 1 50 ASP H 1 54 GLY H 5.000 . 5.000 4.724 3.701 5.050 0.050 5 0 "[ . 1 . 2]" 1
421 1 50 ASP H 1 55 LYS QB 3.500 . 4.500 3.895 3.162 4.148 . 0 0 "[ . 1 . 2]" 1
422 1 50 ASP H 1 55 LYS H 5.000 . 5.000 3.972 2.866 5.004 0.004 10 0 "[ . 1 . 2]" 1
423 1 50 ASP H 1 56 LEU HA 3.500 . 3.500 2.627 1.860 3.516 0.016 3 0 "[ . 1 . 2]" 1
424 1 50 ASP H 1 57 LYS QG 3.500 . 4.500 3.514 2.465 4.081 . 0 0 "[ . 1 . 2]" 1
425 1 50 ASP H 1 57 LYS H 5.000 . 5.000 3.715 2.658 4.673 . 0 0 "[ . 1 . 2]" 1
426 1 51 ARG HA 1 52 GLU H 3.500 . 3.500 3.330 2.967 3.566 0.066 11 0 "[ . 1 . 2]" 1
427 1 51 ARG H 1 51 ARG QB 3.500 . 4.100 2.631 2.232 3.051 . 0 0 "[ . 1 . 2]" 1
428 1 51 ARG QB 1 52 GLU H 3.500 . 4.500 3.383 1.840 4.012 . 0 0 "[ . 1 . 2]" 1
429 1 51 ARG QG 1 52 GLU H 3.500 . 4.500 3.367 2.252 3.887 . 0 0 "[ . 1 . 2]" 1
430 1 51 ARG H 1 52 GLU H 5.000 . 5.000 2.638 1.936 4.078 . 0 0 "[ . 1 . 2]" 1
431 1 52 GLU H 1 52 GLU HA 2.900 . 2.900 2.879 2.725 2.939 0.039 15 0 "[ . 1 . 2]" 1
432 1 52 GLU HA 1 53 THR H 3.500 . 3.500 3.378 2.686 3.550 0.050 13 0 "[ . 1 . 2]" 1
433 1 52 GLU H 1 52 GLU QB 2.900 . 3.500 2.651 2.047 3.364 . 0 0 "[ . 1 . 2]" 1
434 1 52 GLU QB 1 53 THR H 3.500 . 4.500 2.996 1.995 4.011 . 0 0 "[ . 1 . 2]" 1
435 1 52 GLU QB 1 54 GLY H 5.000 . 6.000 4.615 4.117 5.418 . 0 0 "[ . 1 . 2]" 1
436 1 52 GLU H 1 52 GLU QG 3.500 . 4.500 2.947 1.932 4.023 . 0 0 "[ . 1 . 2]" 1
437 1 52 GLU H 1 53 THR MG 3.500 . 5.000 3.584 2.582 4.038 . 0 0 "[ . 1 . 2]" 1
438 1 52 GLU H 1 53 THR H 2.900 . 2.900 2.169 1.715 2.659 0.085 10 0 "[ . 1 . 2]" 1
439 1 52 GLU H 1 54 GLY H 3.500 . 3.500 3.355 2.870 3.700 0.200 10 0 "[ . 1 . 2]" 1
440 1 53 THR HA 1 54 GLY H 3.500 . 3.500 3.413 2.736 3.533 0.033 15 0 "[ . 1 . 2]" 1
441 1 53 THR H 1 53 THR MG 2.900 . 4.400 2.286 1.982 2.905 . 0 0 "[ . 1 . 2]" 1
442 1 53 THR MG 1 54 GLY H 3.500 . 5.000 2.716 1.945 3.985 . 0 0 "[ . 1 . 2]" 1
443 1 53 THR H 1 54 GLY H 2.900 . 2.900 2.123 1.921 2.907 0.007 11 0 "[ . 1 . 2]" 1
444 1 53 THR H 1 55 LYS H 5.000 . 5.000 3.894 2.681 4.780 . 0 0 "[ . 1 . 2]" 1
445 1 54 GLY QA 1 55 LYS H 3.500 . 4.500 2.772 2.390 2.920 . 0 0 "[ . 1 . 2]" 1
446 1 54 GLY H 1 55 LYS QB 5.000 . 6.000 4.295 3.800 4.561 . 0 0 "[ . 1 . 2]" 1
447 1 54 GLY H 1 55 LYS H 2.900 . 2.900 2.524 1.954 2.918 0.018 10 0 "[ . 1 . 2]" 1
448 1 55 LYS H 1 55 LYS HA 2.900 . 2.900 2.860 2.769 2.940 0.040 7 0 "[ . 1 . 2]" 1
449 1 55 LYS H 1 55 LYS QB 2.900 . 3.500 2.375 2.114 2.850 . 0 0 "[ . 1 . 2]" 1
450 1 55 LYS QB 1 56 LEU H 2.900 . 3.900 2.500 1.830 3.687 . 0 0 "[ . 1 . 2]" 1
451 1 55 LYS H 1 55 LYS QG 2.900 . 3.900 2.795 2.177 3.484 . 0 0 "[ . 1 . 2]" 1
452 1 55 LYS H 1 56 LEU H 5.000 . 5.000 4.047 1.960 4.624 . 0 0 "[ . 1 . 2]" 1
453 1 56 LEU H 1 56 LEU HA 2.900 . 2.900 2.789 2.267 2.938 0.038 11 0 "[ . 1 . 2]" 1
454 1 56 LEU HA 1 57 LYS H 2.900 . 2.900 2.294 2.130 2.925 0.025 10 0 "[ . 1 . 2]" 1
455 1 56 LEU H 1 56 LEU QB 3.500 . 4.100 2.789 2.311 3.348 . 0 0 "[ . 1 . 2]" 1
456 1 56 LEU QB 1 57 LYS H 3.500 . 4.500 2.928 1.936 3.969 . 0 0 "[ . 1 . 2]" 1
457 1 56 LEU H 1 56 LEU QD 3.500 . 5.200 2.806 1.626 3.784 0.174 6 0 "[ . 1 . 2]" 1
458 1 56 LEU QD 1 57 LYS H 3.500 . 5.900 3.515 2.395 4.185 . 0 0 "[ . 1 . 2]" 1
459 1 56 LEU QD 1 58 GLY H 5.000 . 7.400 3.649 1.848 5.367 . 0 0 "[ . 1 . 2]" 1
460 1 56 LEU H 1 57 LYS H 5.000 . 5.000 4.305 2.695 4.635 . 0 0 "[ . 1 . 2]" 1
461 1 57 LYS HA 1 58 GLY H 3.500 . 3.500 3.191 2.165 3.554 0.054 12 0 "[ . 1 . 2]" 1
462 1 57 LYS HA 1 59 GLU H 5.000 . 5.000 4.954 3.652 5.070 0.070 7 0 "[ . 1 . 2]" 1
463 1 57 LYS QB 1 58 GLY H 3.500 . 4.500 3.189 2.150 4.040 . 0 0 "[ . 1 . 2]" 1
464 1 57 LYS H 1 58 GLY H 3.500 . 3.500 2.609 2.016 3.633 0.133 10 0 "[ . 1 . 2]" 1
465 1 57 LYS H 1 59 GLU H 5.000 . 5.000 4.066 3.629 5.178 0.178 10 0 "[ . 1 . 2]" 1
466 1 58 GLY H 1 59 GLU H 3.500 . 3.500 2.565 1.942 3.237 . 0 0 "[ . 1 . 2]" 1
467 1 59 GLU HA 1 60 ALA H 2.900 . 2.900 2.248 2.170 2.561 . 0 0 "[ . 1 . 2]" 1
468 1 59 GLU QB 1 60 ALA H 3.500 . 4.500 3.003 2.085 3.727 . 0 0 "[ . 1 . 2]" 1
469 1 59 GLU QG 1 60 ALA H 3.500 . 4.500 3.786 2.419 4.136 . 0 0 "[ . 1 . 2]" 1
470 1 60 ALA HA 1 61 THR H 2.900 . 2.900 2.288 2.160 2.559 . 0 0 "[ . 1 . 2]" 1
471 1 60 ALA MB 1 61 THR H 2.900 . 4.400 2.634 2.060 3.048 . 0 0 "[ . 1 . 2]" 1
472 1 60 ALA H 1 61 THR H 5.000 . 5.000 4.322 4.181 4.429 . 0 0 "[ . 1 . 2]" 1
473 1 61 THR HA 1 62 VAL H 2.900 . 2.900 2.173 2.109 2.295 . 0 0 "[ . 1 . 2]" 1
474 1 61 THR HB 1 62 VAL H 3.500 . 3.500 3.259 2.860 3.549 0.049 6 0 "[ . 1 . 2]" 1
475 1 61 THR H 1 61 THR MG 3.500 . 5.000 2.405 1.899 3.023 . 0 0 "[ . 1 . 2]" 1
476 1 61 THR H 1 62 VAL QG 5.000 . 7.400 4.443 4.052 5.135 . 0 0 "[ . 1 . 2]" 1
477 1 61 THR H 1 62 VAL H 5.000 . 5.000 4.410 4.131 4.570 . 0 0 "[ . 1 . 2]" 1
478 1 62 VAL HA 1 63 SER H 2.900 . 2.900 2.168 2.145 2.188 . 0 0 "[ . 1 . 2]" 1
479 1 62 VAL H 1 62 VAL HB 3.500 . 3.500 2.469 2.217 2.698 . 0 0 "[ . 1 . 2]" 1
480 1 62 VAL H 1 62 VAL QG 3.500 . 5.200 2.664 2.434 2.963 . 0 0 "[ . 1 . 2]" 1
481 1 62 VAL QG 1 63 SER H 3.500 . 5.900 2.544 2.253 2.850 . 0 0 "[ . 1 . 2]" 1
482 1 62 VAL H 1 63 SER H 5.000 . 5.000 4.434 4.332 4.535 . 0 0 "[ . 1 . 2]" 1
483 1 63 SER HA 1 64 PHE H 2.900 . 2.900 2.224 2.145 2.322 . 0 0 "[ . 1 . 2]" 1
484 1 63 SER H 1 63 SER QB 3.500 . 4.100 2.552 2.167 2.992 . 0 0 "[ . 1 . 2]" 1
485 1 63 SER QB 1 64 PHE H 3.500 . 4.500 3.048 2.657 3.710 . 0 0 "[ . 1 . 2]" 1
486 1 63 SER H 1 64 PHE H 5.000 . 5.000 4.537 4.348 4.623 . 0 0 "[ . 1 . 2]" 1
487 1 64 PHE HA 1 65 ASP H 2.900 . 2.900 2.276 2.177 2.383 . 0 0 "[ . 1 . 2]" 1
488 1 64 PHE H 1 64 PHE QB 3.500 . 4.100 2.431 2.227 2.683 . 0 0 "[ . 1 . 2]" 1
489 1 64 PHE QB 1 65 ASP H 3.500 . 4.500 2.817 2.467 3.215 . 0 0 "[ . 1 . 2]" 1
490 1 64 PHE QB 1 66 ASP H 2.900 . 3.900 2.436 2.208 2.969 . 0 0 "[ . 1 . 2]" 1
491 1 64 PHE QB 1 70 ALA H 5.000 . 6.000 3.320 3.029 3.609 . 0 0 "[ . 1 . 2]" 1
492 1 64 PHE H 1 64 PHE QD 3.500 . 5.500 3.499 2.590 4.080 . 0 0 "[ . 1 . 2]" 1
493 1 64 PHE QD 1 65 ASP H 5.000 . 7.000 3.300 2.731 4.029 . 0 0 "[ . 1 . 2]" 1
494 1 64 PHE QD 1 66 ASP H 5.000 . 7.000 3.903 3.168 4.932 . 0 0 "[ . 1 . 2]" 1
495 1 64 PHE H 1 70 ALA MB 5.000 . 6.500 4.330 3.838 4.977 . 0 0 "[ . 1 . 2]" 1
496 1 65 ASP H 1 65 ASP QB 2.900 . 3.500 2.184 2.060 2.330 . 0 0 "[ . 1 . 2]" 1
497 1 65 ASP QB 1 66 ASP H 3.500 . 4.500 3.092 2.726 3.931 . 0 0 "[ . 1 . 2]" 1
498 1 65 ASP H 1 66 ASP H 3.500 . 3.500 2.535 2.307 3.377 . 0 0 "[ . 1 . 2]" 1
499 1 66 ASP QB 1 69 SER H 3.500 . 4.500 2.550 2.355 2.965 . 0 0 "[ . 1 . 2]" 1
500 1 66 ASP QB 1 70 ALA H 5.000 . 6.000 4.585 4.080 5.071 . 0 0 "[ . 1 . 2]" 1
501 1 66 ASP H 1 67 PRO QD 3.500 . 4.500 4.023 3.678 4.114 . 0 0 "[ . 1 . 2]" 1
502 1 66 ASP H 1 69 SER H 5.000 . 5.000 4.424 4.221 4.786 . 0 0 "[ . 1 . 2]" 1
503 1 66 ASP H 1 70 ALA H 5.000 . 5.000 4.963 4.728 5.060 0.060 9 0 "[ . 1 . 2]" 1
504 1 67 PRO HA 1 70 ALA H 3.500 . 3.500 3.569 3.529 3.631 0.131 7 0 "[ . 1 . 2]" 1
505 1 68 PRO HA 1 69 SER H 3.500 . 3.500 3.504 3.496 3.511 0.011 9 0 "[ . 1 . 2]" 1
506 1 68 PRO HA 1 71 LYS H 3.500 . 3.500 3.517 3.485 3.549 0.049 9 0 "[ . 1 . 2]" 1
507 1 68 PRO HA 1 72 ALA H 5.000 . 5.000 4.175 3.942 4.385 . 0 0 "[ . 1 . 2]" 1
508 1 68 PRO QB 1 69 SER H 3.500 . 4.500 3.147 3.122 3.176 . 0 0 "[ . 1 . 2]" 1
509 1 68 PRO QB 1 70 ALA H 5.000 . 6.000 4.982 4.830 5.124 . 0 0 "[ . 1 . 2]" 1
510 1 68 PRO QD 1 69 SER H 3.500 . 4.500 2.891 2.750 2.979 . 0 0 "[ . 1 . 2]" 1
511 1 68 PRO QD 1 70 ALA H 5.000 . 6.000 4.613 4.449 4.810 . 0 0 "[ . 1 . 2]" 1
512 1 68 PRO QG 1 69 SER H 3.500 . 4.500 2.561 2.493 2.631 . 0 0 "[ . 1 . 2]" 1
513 1 69 SER H 1 69 SER HA 2.900 . 2.900 2.795 2.774 2.823 . 0 0 "[ . 1 . 2]" 1
514 1 69 SER HA 1 70 ALA H 3.500 . 3.500 3.540 3.514 3.565 0.065 16 0 "[ . 1 . 2]" 1
515 1 69 SER HA 1 72 ALA H 3.500 . 3.500 3.503 3.390 3.546 0.046 7 0 "[ . 1 . 2]" 1
516 1 69 SER HA 1 73 ALA H 5.000 . 5.000 4.182 3.904 4.408 . 0 0 "[ . 1 . 2]" 1
517 1 69 SER H 1 69 SER QB 2.900 . 3.500 2.168 2.033 2.267 . 0 0 "[ . 1 . 2]" 1
518 1 69 SER QB 1 70 ALA H 3.500 . 4.500 2.681 2.401 3.209 . 0 0 "[ . 1 . 2]" 1
519 1 69 SER QB 1 72 ALA H 5.000 . 6.000 5.095 4.992 5.172 . 0 0 "[ . 1 . 2]" 1
520 1 69 SER H 1 70 ALA MB 5.000 . 6.500 4.307 4.222 4.415 . 0 0 "[ . 1 . 2]" 1
521 1 69 SER H 1 70 ALA H 2.900 . 2.900 2.715 2.602 2.837 . 0 0 "[ . 1 . 2]" 1
522 1 69 SER H 1 71 LYS H 5.000 . 5.000 4.388 4.208 4.588 . 0 0 "[ . 1 . 2]" 1
523 1 70 ALA HA 1 71 LYS H 5.000 . 5.000 3.551 3.517 3.567 . 0 0 "[ . 1 . 2]" 1
524 1 70 ALA HA 1 72 ALA H 5.000 . 5.000 4.716 4.470 4.930 . 0 0 "[ . 1 . 2]" 1
525 1 70 ALA HA 1 73 ALA H 3.500 . 3.500 3.564 3.520 3.633 0.133 16 0 "[ . 1 . 2]" 1
526 1 70 ALA HA 1 74 ILE H 5.000 . 5.000 4.353 4.131 4.506 . 0 0 "[ . 1 . 2]" 1
527 1 70 ALA H 1 70 ALA MB 2.900 . 4.000 2.105 2.030 2.237 . 0 0 "[ . 1 . 2]" 1
528 1 70 ALA MB 1 71 LYS H 2.900 . 4.400 2.515 2.300 2.686 . 0 0 "[ . 1 . 2]" 1
529 1 70 ALA H 1 71 LYS QB 5.000 . 6.000 4.475 4.349 4.618 . 0 0 "[ . 1 . 2]" 1
530 1 70 ALA H 1 71 LYS H 2.900 . 2.900 2.790 2.695 2.871 . 0 0 "[ . 1 . 2]" 1
531 1 70 ALA H 1 72 ALA MB 5.000 . 6.500 4.713 4.511 4.880 . 0 0 "[ . 1 . 2]" 1
532 1 70 ALA H 1 72 ALA H 5.000 . 5.000 4.269 4.023 4.548 . 0 0 "[ . 1 . 2]" 1
533 1 70 ALA H 1 73 ALA H 5.000 . 5.000 4.740 4.568 4.957 . 0 0 "[ . 1 . 2]" 1
534 1 71 LYS HA 1 72 ALA H 3.500 . 3.500 3.544 3.528 3.555 0.055 5 0 "[ . 1 . 2]" 1
535 1 71 LYS HA 1 73 ALA H 5.000 . 5.000 4.058 3.943 4.217 . 0 0 "[ . 1 . 2]" 1
536 1 71 LYS HA 1 74 ILE H 3.500 . 3.500 3.292 3.140 3.396 . 0 0 "[ . 1 . 2]" 1
537 1 71 LYS HA 1 75 ASP H 5.000 . 5.000 4.161 3.971 4.369 . 0 0 "[ . 1 . 2]" 1
538 1 71 LYS H 1 71 LYS QB 2.900 . 3.500 2.141 2.028 2.228 . 0 0 "[ . 1 . 2]" 1
539 1 71 LYS QB 1 72 ALA H 2.900 . 3.900 2.503 2.218 2.958 . 0 0 "[ . 1 . 2]" 1
540 1 71 LYS QD 1 72 ALA H 5.000 . 6.000 3.631 3.217 3.806 . 0 0 "[ . 1 . 2]" 1
541 1 71 LYS QG 1 75 ASP H 5.000 . 6.000 4.854 4.474 5.224 . 0 0 "[ . 1 . 2]" 1
542 1 71 LYS H 1 72 ALA H 2.900 . 2.900 2.731 2.681 2.793 . 0 0 "[ . 1 . 2]" 1
543 1 71 LYS H 1 73 ALA H 5.000 . 5.000 3.985 3.826 4.217 . 0 0 "[ . 1 . 2]" 1
544 1 71 LYS H 1 74 ILE MD 5.000 . 6.500 3.481 3.334 3.605 . 0 0 "[ . 1 . 2]" 1
545 1 71 LYS H 1 74 ILE HG13 5.000 . 5.000 5.047 5.005 5.086 0.086 5 0 "[ . 1 . 2]" 1
546 1 71 LYS H 1 74 ILE H 5.000 . 5.000 4.758 4.669 4.820 . 0 0 "[ . 1 . 2]" 1
547 1 72 ALA H 1 72 ALA HA 2.900 . 2.900 2.759 2.727 2.780 . 0 0 "[ . 1 . 2]" 1
548 1 72 ALA HA 1 73 ALA H 3.500 . 3.500 3.511 3.494 3.542 0.042 14 0 "[ . 1 . 2]" 1
549 1 72 ALA HA 1 74 ILE H 5.000 . 5.000 4.579 4.398 4.710 . 0 0 "[ . 1 . 2]" 1
550 1 72 ALA HA 1 75 ASP H 3.500 . 3.500 3.402 3.222 3.512 0.012 14 0 "[ . 1 . 2]" 1
551 1 72 ALA H 1 72 ALA MB 2.900 . 4.000 2.129 2.059 2.226 . 0 0 "[ . 1 . 2]" 1
552 1 72 ALA MB 1 73 ALA H 2.900 . 4.400 2.765 2.589 2.868 . 0 0 "[ . 1 . 2]" 1
553 1 72 ALA H 1 73 ALA H 2.900 . 2.900 2.777 2.711 2.903 0.003 12 0 "[ . 1 . 2]" 1
554 1 72 ALA H 1 74 ILE H 5.000 . 5.000 4.348 4.259 4.450 . 0 0 "[ . 1 . 2]" 1
555 1 73 ALA HA 1 74 ILE H 5.000 . 5.000 3.528 3.514 3.542 . 0 0 "[ . 1 . 2]" 1
556 1 73 ALA H 1 73 ALA MB 2.900 . 4.000 2.162 2.060 2.233 . 0 0 "[ . 1 . 2]" 1
557 1 73 ALA MB 1 77 PHE H 5.000 . 6.500 4.136 3.834 4.446 . 0 0 "[ . 1 . 2]" 1
558 1 73 ALA H 1 74 ILE HA 5.000 . 5.000 5.152 5.124 5.168 0.168 11 0 "[ . 1 . 2]" 1
559 1 73 ALA H 1 74 ILE H 2.900 . 2.900 2.540 2.487 2.577 . 0 0 "[ . 1 . 2]" 1
560 1 73 ALA H 1 76 TRP H 5.000 . 5.000 4.816 4.535 5.019 0.019 12 0 "[ . 1 . 2]" 1
561 1 73 ALA H 1 77 PHE QE 5.000 . 7.000 4.737 4.500 5.231 . 0 0 "[ . 1 . 2]" 1
562 1 74 ILE HA 1 75 ASP H 3.500 . 3.500 3.476 3.454 3.490 . 0 0 "[ . 1 . 2]" 1
563 1 74 ILE HA 1 76 TRP H 5.000 . 5.000 3.907 3.737 4.341 . 0 0 "[ . 1 . 2]" 1
564 1 74 ILE HA 1 78 ASP H 3.500 . 3.500 2.762 2.386 3.155 . 0 0 "[ . 1 . 2]" 1
565 1 74 ILE HA 1 89 VAL H 5.000 . 5.000 4.813 4.577 5.036 0.036 8 0 "[ . 1 . 2]" 1
566 1 74 ILE H 1 74 ILE HB 2.900 . 2.900 2.622 2.568 2.678 . 0 0 "[ . 1 . 2]" 1
567 1 74 ILE HB 1 75 ASP H 2.900 . 2.900 2.683 2.608 2.830 . 0 0 "[ . 1 . 2]" 1
568 1 74 ILE H 1 74 ILE MD 3.500 . 5.000 3.034 2.973 3.137 . 0 0 "[ . 1 . 2]" 1
569 1 74 ILE MD 1 75 ASP H 5.000 . 6.500 4.208 4.040 4.509 . 0 0 "[ . 1 . 2]" 1
570 1 74 ILE MD 1 91 PHE H 3.500 . 5.000 3.448 2.452 3.844 . 0 0 "[ . 1 . 2]" 1
571 1 74 ILE H 1 74 ILE HG13 2.900 . 2.900 1.945 1.893 1.995 . 0 0 "[ . 1 . 2]" 1
572 1 74 ILE HG13 1 75 ASP H 5.000 . 5.000 4.139 4.066 4.255 . 0 0 "[ . 1 . 2]" 1
573 1 74 ILE HG13 1 90 SER H 5.000 . 5.000 5.051 5.019 5.085 0.085 18 0 "[ . 1 . 2]" 1
574 1 74 ILE H 1 74 ILE HG12 3.500 . 3.500 3.489 3.450 3.528 0.028 11 0 "[ . 1 . 2]" 1
575 1 74 ILE HG12 1 75 ASP H 5.000 . 5.000 5.079 5.044 5.136 0.136 14 0 "[ . 1 . 2]" 1
576 1 74 ILE HG12 1 91 PHE H 5.000 . 5.000 4.478 3.728 4.973 . 0 0 "[ . 1 . 2]" 1
577 1 74 ILE H 1 74 ILE MG 3.500 . 5.000 3.749 3.738 3.757 . 0 0 "[ . 1 . 2]" 1
578 1 74 ILE MG 1 75 ASP H 3.500 . 4.400 3.631 3.546 3.671 . 0 0 "[ . 1 . 2]" 1
579 1 74 ILE MG 1 77 PHE H 5.000 . 6.500 5.337 5.273 5.376 . 0 0 "[ . 1 . 2]" 1
580 1 74 ILE MG 1 78 ASP H 3.500 . 5.000 3.788 3.473 4.037 . 0 0 "[ . 1 . 2]" 1
581 1 74 ILE MG 1 91 PHE H 5.000 . 6.500 4.465 3.577 5.278 . 0 0 "[ . 1 . 2]" 1
582 1 74 ILE H 1 75 ASP H 2.900 . 2.900 2.625 2.546 2.686 . 0 0 "[ . 1 . 2]" 1
583 1 74 ILE H 1 76 TRP H 5.000 . 5.000 4.047 3.886 4.391 . 0 0 "[ . 1 . 2]" 1
584 1 74 ILE H 1 78 ASP QB 5.000 . 6.000 5.005 4.568 5.275 . 0 0 "[ . 1 . 2]" 1
585 1 74 ILE H 1 89 VAL HB 5.000 . 5.000 4.818 4.517 5.020 0.020 8 0 "[ . 1 . 2]" 1
586 1 74 ILE H 1 89 VAL QG 3.500 . 5.900 3.447 3.206 3.770 . 0 0 "[ . 1 . 2]" 1
587 1 75 ASP H 1 75 ASP HA 2.900 . 2.900 2.820 2.777 2.856 . 0 0 "[ . 1 . 2]" 1
588 1 75 ASP H 1 75 ASP QB 2.900 . 3.500 2.170 2.055 2.523 . 0 0 "[ . 1 . 2]" 1
589 1 75 ASP QB 1 76 TRP H 2.900 . 3.900 2.908 2.697 2.977 . 0 0 "[ . 1 . 2]" 1
590 1 75 ASP QB 1 77 PHE H 5.000 . 6.000 5.250 4.675 5.363 . 0 0 "[ . 1 . 2]" 1
591 1 75 ASP H 1 76 TRP H 2.900 . 2.900 2.601 2.465 2.786 . 0 0 "[ . 1 . 2]" 1
592 1 76 TRP H 1 76 TRP HA 2.900 . 2.900 2.906 2.876 2.930 0.030 11 0 "[ . 1 . 2]" 1
593 1 76 TRP HA 1 77 PHE H 3.500 . 3.500 3.554 3.539 3.569 0.069 14 0 "[ . 1 . 2]" 1
594 1 76 TRP H 1 76 TRP QB 2.900 . 3.500 2.221 2.189 2.275 . 0 0 "[ . 1 . 2]" 1
595 1 76 TRP QB 1 77 PHE H 3.500 . 4.500 2.260 2.019 3.001 . 0 0 "[ . 1 . 2]" 1
596 1 76 TRP HD1 1 77 PHE H 5.000 . 5.000 3.277 2.649 3.844 . 0 0 "[ . 1 . 2]" 1
597 1 76 TRP HE1 1 77 PHE QE 3.500 . 5.500 3.952 3.011 5.049 . 0 0 "[ . 1 . 2]" 1
598 1 76 TRP HE1 1 77 PHE H 5.000 . 5.000 5.116 5.036 5.164 0.164 16 0 "[ . 1 . 2]" 1
599 1 76 TRP HE1 1 80 LYS QE 3.500 . 4.500 2.632 1.919 3.950 . 0 0 "[ . 1 . 2]" 1
600 1 76 TRP HE1 1 80 LYS QG 5.000 . 6.000 3.539 1.974 4.626 . 0 0 "[ . 1 . 2]" 1
601 1 76 TRP H 1 76 TRP HE3 5.000 . 5.000 4.889 4.316 5.074 0.074 7 0 "[ . 1 . 2]" 1
602 1 76 TRP H 1 77 PHE QB 5.000 . 6.000 4.733 4.171 5.118 . 0 0 "[ . 1 . 2]" 1
603 1 77 PHE HA 1 78 ASP H 3.500 . 3.500 3.518 3.392 3.540 0.040 9 0 "[ . 1 . 2]" 1
604 1 77 PHE HA 1 79 GLY H 5.000 . 5.000 4.168 3.775 4.398 . 0 0 "[ . 1 . 2]" 1
605 1 77 PHE HA 1 80 LYS H 3.500 . 3.500 3.526 3.263 3.593 0.093 18 0 "[ . 1 . 2]" 1
606 1 77 PHE H 1 77 PHE QB 2.900 . 3.500 2.649 2.420 2.792 . 0 0 "[ . 1 . 2]" 1
607 1 77 PHE QB 1 79 GLY H 5.000 . 6.000 3.413 3.037 4.136 . 0 0 "[ . 1 . 2]" 1
608 1 77 PHE H 1 77 PHE QD 3.500 . 5.500 2.402 1.602 2.862 0.198 12 0 "[ . 1 . 2]" 1
609 1 77 PHE H 1 78 ASP H 2.900 . 2.900 3.067 2.905 3.134 0.234 6 0 "[ . 1 . 2]" 1
610 1 77 PHE H 1 80 LYS QB 5.000 . 6.000 4.767 4.453 4.996 . 0 0 "[ . 1 . 2]" 1
611 1 77 PHE H 1 89 VAL HB 5.000 . 5.000 4.737 4.099 5.025 0.025 5 0 "[ . 1 . 2]" 1
612 1 77 PHE H 1 89 VAL QG 5.000 . 7.400 3.841 3.690 4.081 . 0 0 "[ . 1 . 2]" 1
613 1 78 ASP HA 1 79 GLY H 2.900 . 2.900 2.607 2.469 2.826 . 0 0 "[ . 1 . 2]" 1
614 1 78 ASP HA 1 89 VAL H 3.500 . 3.500 1.929 1.826 2.028 . 0 0 "[ . 1 . 2]" 1
615 1 78 ASP H 1 78 ASP QB 2.900 . 3.500 2.602 2.292 2.782 . 0 0 "[ . 1 . 2]" 1
616 1 78 ASP QB 1 79 GLY H 5.000 . 6.000 4.036 3.953 4.064 . 0 0 "[ . 1 . 2]" 1
617 1 78 ASP QB 1 89 VAL H 5.000 . 6.000 3.796 3.254 4.064 . 0 0 "[ . 1 . 2]" 1
618 1 78 ASP H 1 79 GLY QA 5.000 . 6.000 5.061 4.874 5.183 . 0 0 "[ . 1 . 2]" 1
619 1 78 ASP H 1 79 GLY H 3.500 . 3.500 3.386 3.072 3.665 0.165 11 0 "[ . 1 . 2]" 1
620 1 78 ASP H 1 80 LYS QG 5.000 . 6.000 4.703 4.071 5.211 . 0 0 "[ . 1 . 2]" 1
621 1 78 ASP H 1 89 VAL HB 3.500 . 3.500 2.333 1.902 3.510 0.010 11 0 "[ . 1 . 2]" 1
622 1 78 ASP H 1 89 VAL QG 3.500 . 5.900 2.515 1.974 3.652 . 0 0 "[ . 1 . 2]" 1
623 1 78 ASP H 1 89 VAL H 5.000 . 5.000 3.421 2.890 4.443 . 0 0 "[ . 1 . 2]" 1
624 1 79 GLY QA 1 80 LYS H 3.500 . 4.500 2.825 2.700 2.892 . 0 0 "[ . 1 . 2]" 1
625 1 79 GLY H 1 80 LYS H 2.900 . 2.900 1.964 1.848 2.167 . 0 0 "[ . 1 . 2]" 1
626 1 79 GLY H 1 87 ILE HB 5.000 . 5.000 5.021 4.892 5.094 0.094 6 0 "[ . 1 . 2]" 1
627 1 79 GLY H 1 87 ILE HG12 5.000 . 5.000 4.462 3.326 5.018 0.018 18 0 "[ . 1 . 2]" 1
628 1 79 GLY H 1 87 ILE H 5.000 . 5.000 4.520 4.079 4.816 . 0 0 "[ . 1 . 2]" 1
629 1 79 GLY H 1 88 LYS HA 3.500 . 3.500 2.870 2.405 3.421 . 0 0 "[ . 1 . 2]" 1
630 1 79 GLY H 1 88 LYS H 5.000 . 5.000 4.772 4.499 5.024 0.024 4 0 "[ . 1 . 2]" 1
631 1 79 GLY H 1 89 VAL HB 5.000 . 5.000 4.395 3.955 4.755 . 0 0 "[ . 1 . 2]" 1
632 1 79 GLY H 1 89 VAL QG 3.500 . 5.900 3.172 2.848 3.632 . 0 0 "[ . 1 . 2]" 1
633 1 79 GLY H 1 89 VAL H 3.500 . 3.500 2.892 2.334 3.519 0.019 16 0 "[ . 1 . 2]" 1
634 1 80 LYS HA 1 81 GLU H 2.900 . 2.900 2.832 2.691 2.921 0.021 4 0 "[ . 1 . 2]" 1
635 1 80 LYS H 1 80 LYS QB 2.900 . 3.500 2.340 1.998 2.820 . 0 0 "[ . 1 . 2]" 1
636 1 80 LYS QB 1 81 GLU H 2.900 . 3.900 1.855 1.691 1.956 0.109 2 0 "[ . 1 . 2]" 1
637 1 80 LYS H 1 80 LYS QD 3.500 . 4.500 3.886 2.667 4.216 . 0 0 "[ . 1 . 2]" 1
638 1 80 LYS H 1 80 LYS QE 5.000 . 6.000 5.017 4.390 5.435 . 0 0 "[ . 1 . 2]" 1
639 1 80 LYS H 1 80 LYS QG 2.900 . 3.900 2.914 1.995 3.729 . 0 0 "[ . 1 . 2]" 1
640 1 80 LYS QG 1 81 GLU H 3.500 . 4.500 3.152 2.427 3.910 . 0 0 "[ . 1 . 2]" 1
641 1 80 LYS H 1 81 GLU H 5.000 . 5.000 4.354 4.261 4.422 . 0 0 "[ . 1 . 2]" 1
642 1 80 LYS H 1 87 ILE MD 5.000 . 6.500 3.306 2.951 3.896 . 0 0 "[ . 1 . 2]" 1
643 1 80 LYS H 1 87 ILE H 3.500 . 3.500 3.595 3.521 3.657 0.157 10 0 "[ . 1 . 2]" 1
644 1 81 GLU HA 1 82 PHE H 2.900 . 2.900 2.158 2.112 2.273 . 0 0 "[ . 1 . 2]" 1
645 1 81 GLU HA 1 85 ASN H 5.000 . 5.000 4.426 3.431 4.887 . 0 0 "[ . 1 . 2]" 1
646 1 81 GLU H 1 81 GLU QB 2.900 . 3.500 2.638 2.360 2.842 . 0 0 "[ . 1 . 2]" 1
647 1 81 GLU QB 1 82 PHE H 3.500 . 4.500 3.113 2.606 3.687 . 0 0 "[ . 1 . 2]" 1
648 1 81 GLU QB 1 84 GLY H 3.500 . 4.500 3.090 2.836 3.992 . 0 0 "[ . 1 . 2]" 1
649 1 81 GLU QB 1 85 ASN H 3.500 . 4.500 3.804 3.380 4.112 . 0 0 "[ . 1 . 2]" 1
650 1 81 GLU H 1 82 PHE H 5.000 . 5.000 4.400 4.339 4.500 . 0 0 "[ . 1 . 2]" 1
651 1 82 PHE HA 1 83 SER H 5.000 . 5.000 2.191 2.172 2.216 . 0 0 "[ . 1 . 2]" 1
652 1 82 PHE HA 1 84 GLY H 5.000 . 5.000 3.886 3.743 4.000 . 0 0 "[ . 1 . 2]" 1
653 1 82 PHE H 1 82 PHE QB 3.500 . 4.100 2.323 2.138 2.658 . 0 0 "[ . 1 . 2]" 1
654 1 82 PHE QB 1 84 GLY H 5.000 . 6.000 4.425 4.281 4.724 . 0 0 "[ . 1 . 2]" 1
655 1 82 PHE QB 1 85 ASN H 3.500 . 4.500 3.603 3.263 3.895 . 0 0 "[ . 1 . 2]" 1
656 1 82 PHE H 1 82 PHE QD 5.000 . 7.000 4.142 3.745 4.354 . 0 0 "[ . 1 . 2]" 1
657 1 82 PHE H 1 85 ASN H 3.500 . 3.500 3.021 1.921 3.535 0.035 20 0 "[ . 1 . 2]" 1
658 1 82 PHE H 1 87 ILE MG 3.500 . 5.000 2.813 2.388 3.637 . 0 0 "[ . 1 . 2]" 1
659 1 82 PHE H 1 87 ILE H 5.000 . 5.000 4.203 3.863 4.956 . 0 0 "[ . 1 . 2]" 1
660 1 83 SER HA 1 84 GLY H 2.900 . 2.900 2.947 2.920 2.961 0.061 11 0 "[ . 1 . 2]" 1
661 1 83 SER QB 1 84 GLY H 5.000 . 6.000 3.871 3.755 4.072 . 0 0 "[ . 1 . 2]" 1
662 1 83 SER QB 1 85 ASN H 5.000 . 6.000 4.281 3.617 5.037 . 0 0 "[ . 1 . 2]" 1
663 1 83 SER H 1 84 GLY H 5.000 . 5.000 2.813 2.618 3.007 . 0 0 "[ . 1 . 2]" 1
664 1 84 GLY QA 1 85 ASN HD22 5.000 . 6.000 4.604 4.375 4.797 . 0 0 "[ . 1 . 2]" 1
665 1 84 GLY QA 1 85 ASN H 3.500 . 4.500 2.776 2.633 2.946 . 0 0 "[ . 1 . 2]" 1
666 1 84 GLY H 1 85 ASN QB 5.000 . 6.000 4.891 4.472 5.212 . 0 0 "[ . 1 . 2]" 1
667 1 84 GLY H 1 85 ASN H 3.500 . 3.500 2.613 2.182 2.877 . 0 0 "[ . 1 . 2]" 1
668 1 85 ASN H 1 85 ASN HA 2.900 . 2.900 2.917 2.877 2.947 0.047 10 0 "[ . 1 . 2]" 1
669 1 85 ASN QB 1 85 ASN HD21 2.900 . 3.900 2.122 2.079 2.193 . 0 0 "[ . 1 . 2]" 1
670 1 85 ASN QB 1 85 ASN HD22 3.500 . 4.500 3.252 3.224 3.286 . 0 0 "[ . 1 . 2]" 1
671 1 85 ASN H 1 85 ASN QB 2.900 . 3.500 2.750 2.623 2.951 . 0 0 "[ . 1 . 2]" 1
672 1 85 ASN QB 1 87 ILE H 5.000 . 6.000 5.297 5.036 5.402 . 0 0 "[ . 1 . 2]" 1
673 1 85 ASN H 1 85 ASN HD21 3.500 . 3.500 2.863 2.241 3.504 0.004 7 0 "[ . 1 . 2]" 1
674 1 85 ASN HD21 1 86 PRO QD 5.000 . 6.000 4.741 4.396 5.086 . 0 0 "[ . 1 . 2]" 1
675 1 85 ASN H 1 85 ASN HD22 5.000 . 5.000 3.565 2.998 4.535 . 0 0 "[ . 1 . 2]" 1
676 1 85 ASN HD22 1 86 PRO QD 5.000 . 6.000 5.421 5.371 5.490 . 0 0 "[ . 1 . 2]" 1
677 1 85 ASN H 1 86 PRO QD 5.000 . 6.000 4.386 4.361 4.406 . 0 0 "[ . 1 . 2]" 1
678 1 85 ASN H 1 87 ILE MG 5.000 . 6.500 4.872 4.491 5.183 . 0 0 "[ . 1 . 2]" 1
679 1 86 PRO HA 1 87 ILE H 2.900 . 2.900 2.237 2.191 2.275 . 0 0 "[ . 1 . 2]" 1
680 1 86 PRO QB 1 87 ILE H 3.500 . 4.500 3.195 3.037 3.470 . 0 0 "[ . 1 . 2]" 1
681 1 87 ILE HA 1 88 LYS H 2.900 . 2.900 2.486 2.253 2.605 . 0 0 "[ . 1 . 2]" 1
682 1 87 ILE H 1 87 ILE HG13 3.500 . 3.500 2.690 2.410 3.392 . 0 0 "[ . 1 . 2]" 1
683 1 87 ILE H 1 87 ILE HG12 2.900 . 2.900 2.647 2.331 2.875 . 0 0 "[ . 1 . 2]" 1
684 1 87 ILE HG12 1 88 LYS H 5.000 . 5.000 4.598 4.138 5.002 0.002 5 0 "[ . 1 . 2]" 1
685 1 87 ILE H 1 87 ILE MG 3.500 . 4.400 2.875 2.574 3.140 . 0 0 "[ . 1 . 2]" 1
686 1 87 ILE MG 1 88 LYS H 3.500 . 5.000 3.590 3.313 3.857 . 0 0 "[ . 1 . 2]" 1
687 1 87 ILE H 1 88 LYS QD 5.000 . 6.000 4.634 3.928 5.376 . 0 0 "[ . 1 . 2]" 1
688 1 88 LYS HA 1 89 VAL H 2.900 . 2.900 2.187 2.149 2.305 . 0 0 "[ . 1 . 2]" 1
689 1 88 LYS H 1 88 LYS QB 2.900 . 3.500 2.726 2.394 3.199 . 0 0 "[ . 1 . 2]" 1
690 1 88 LYS QB 1 89 VAL H 3.500 . 4.500 3.634 2.737 3.921 . 0 0 "[ . 1 . 2]" 1
691 1 88 LYS H 1 89 VAL QG 5.000 . 7.400 3.869 3.572 4.210 . 0 0 "[ . 1 . 2]" 1
692 1 88 LYS H 1 89 VAL H 5.000 . 5.000 3.889 3.769 4.414 . 0 0 "[ . 1 . 2]" 1
693 1 89 VAL HA 1 90 SER H 2.900 . 2.900 2.174 2.137 2.222 . 0 0 "[ . 1 . 2]" 1
694 1 89 VAL H 1 89 VAL HB 3.500 . 3.500 2.616 2.539 2.860 . 0 0 "[ . 1 . 2]" 1
695 1 89 VAL HB 1 90 SER H 5.000 . 5.000 4.050 3.838 4.253 . 0 0 "[ . 1 . 2]" 1
696 1 89 VAL H 1 89 VAL QG 3.500 . 5.200 2.274 2.057 2.660 . 0 0 "[ . 1 . 2]" 1
697 1 89 VAL QG 1 90 SER H 2.900 . 5.300 2.427 2.076 2.825 . 0 0 "[ . 1 . 2]" 1
698 1 89 VAL H 1 90 SER H 5.000 . 5.000 4.503 4.295 4.582 . 0 0 "[ . 1 . 2]" 1
699 1 90 SER HA 1 91 PHE H 2.900 . 2.900 2.673 2.493 2.813 . 0 0 "[ . 1 . 2]" 1
700 1 90 SER QB 1 91 PHE H 2.900 . 3.900 2.279 1.941 2.857 . 0 0 "[ . 1 . 2]" 1
701 1 90 SER QB 1 92 ALA H 5.000 . 6.000 3.856 2.433 5.287 . 0 0 "[ . 1 . 2]" 1
702 1 91 PHE HA 1 92 ALA H 2.900 . 2.900 2.545 2.141 2.951 0.051 8 0 "[ . 1 . 2]" 1
703 1 91 PHE H 1 91 PHE QB 2.900 . 3.500 2.303 2.130 2.645 . 0 0 "[ . 1 . 2]" 1
704 1 91 PHE QB 1 92 ALA H 3.500 . 4.500 3.796 3.441 3.999 . 0 0 "[ . 1 . 2]" 1
705 1 91 PHE H 1 91 PHE QD 3.500 . 5.500 3.376 1.965 4.276 . 0 0 "[ . 1 . 2]" 1
706 1 91 PHE QD 1 92 ALA H 3.500 . 5.500 4.304 3.223 4.994 . 0 0 "[ . 1 . 2]" 1
707 1 91 PHE H 1 92 ALA H 5.000 . 5.000 3.534 2.781 4.438 . 0 0 "[ . 1 . 2]" 1
708 1 92 ALA HA 1 93 THR H 2.900 . 2.900 2.410 2.133 2.914 0.014 7 0 "[ . 1 . 2]" 1
709 1 92 ALA H 1 92 ALA MB 2.900 . 4.000 2.698 2.025 2.933 . 0 0 "[ . 1 . 2]" 1
710 1 92 ALA MB 1 93 THR H 3.500 . 5.000 3.143 1.947 3.721 . 0 0 "[ . 1 . 2]" 1
711 1 93 THR HA 1 94 ARG H 2.900 . 2.900 2.468 2.128 2.912 0.012 14 0 "[ . 1 . 2]" 1
712 1 93 THR H 1 93 THR HB 3.500 . 3.500 3.452 2.896 3.671 0.171 15 0 "[ . 1 . 2]" 1
713 1 93 THR HB 1 94 ARG H 3.500 . 3.500 3.021 1.968 3.540 0.040 20 0 "[ . 1 . 2]" 1
714 1 93 THR MG 1 94 ARG H 5.000 . 6.500 2.915 1.874 4.403 . 0 0 "[ . 1 . 2]" 1
715 1 94 ARG HA 1 95 ARG H 3.500 . 3.500 2.574 2.133 3.532 0.032 2 0 "[ . 1 . 2]" 1
716 1 94 ARG H 1 94 ARG QB 3.500 . 4.100 2.830 2.223 3.440 . 0 0 "[ . 1 . 2]" 1
717 1 94 ARG H 1 94 ARG QD 5.000 . 6.000 3.562 1.931 5.237 . 0 0 "[ . 1 . 2]" 1
718 1 94 ARG H 1 95 ARG H 5.000 . 5.000 3.675 1.959 4.632 . 0 0 "[ . 1 . 2]" 1
719 1 95 ARG HA 1 96 ALA H 3.500 . 3.500 2.684 2.143 3.547 0.047 3 0 "[ . 1 . 2]" 1
720 1 96 ALA HA 1 97 ASP H 2.900 . 2.900 2.427 2.141 2.942 0.042 19 0 "[ . 1 . 2]" 1
721 1 96 ALA MB 1 97 ASP H 3.500 . 5.000 3.037 2.002 3.720 . 0 0 "[ . 1 . 2]" 1
722 1 97 ASP H 1 97 ASP QB 3.500 . 4.100 2.626 2.094 3.158 . 0 0 "[ . 1 . 2]" 1
723 1 97 ASP QB 1 98 PHE H 3.500 . 4.500 2.805 1.909 3.986 . 0 0 "[ . 1 . 2]" 1
724 1 98 PHE HA 1 99 ASN H 5.000 . 5.000 2.702 2.141 3.560 . 0 0 "[ . 1 . 2]" 1
725 1 98 PHE H 1 98 PHE QB 3.500 . 4.100 2.769 2.077 3.407 . 0 0 "[ . 1 . 2]" 1
726 1 99 ASN HA 1 100 ARG H 5.000 . 5.000 2.748 2.138 3.568 . 0 0 "[ . 1 . 2]" 1
727 1 105 GLY QA 1 106 ARG H 5.000 . 6.000 2.452 2.113 2.874 . 0 0 "[ . 1 . 2]" 1
728 1 1 GLU QB 1 2 GLN QG 2.900 . 4.900 3.088 2.180 3.964 . 0 0 "[ . 1 . 2]" 1
729 1 2 GLN HA 1 2 GLN QG 3.500 . 4.500 2.826 2.236 3.397 . 0 0 "[ . 1 . 2]" 1
730 1 2 GLN QB 1 4 ASN QB 3.500 . 5.500 3.758 3.252 4.432 . 0 0 "[ . 1 . 2]" 1
731 1 5 SER HA 1 6 ASP H 5.000 . 5.000 3.283 2.999 3.570 . 0 0 "[ . 1 . 2]" 1
732 1 9 THR HA 1 63 SER HA 5.000 . 5.000 2.035 1.836 2.255 . 0 0 "[ . 1 . 2]" 1
733 1 9 THR HA 1 9 THR MG 3.500 . 5.000 2.428 2.293 3.011 . 0 0 "[ . 1 . 2]" 1
734 1 9 THR HB 1 92 ALA MB 2.900 . 4.400 2.754 1.958 3.701 . 0 0 "[ . 1 . 2]" 1
735 1 9 THR H 1 9 THR HB 3.500 . 3.500 2.538 2.151 2.998 . 0 0 "[ . 1 . 2]" 1
736 1 9 THR MG 1 61 THR HA 5.000 . 6.500 4.141 3.645 4.701 . 0 0 "[ . 1 . 2]" 1
737 1 9 THR MG 1 61 THR HB 2.900 . 4.400 2.559 2.047 3.094 . 0 0 "[ . 1 . 2]" 1
738 1 9 THR MG 1 62 VAL H 3.500 . 5.000 3.712 3.394 4.012 . 0 0 "[ . 1 . 2]" 1
739 1 10 ILE HA 1 10 ILE MG 2.900 . 4.400 2.304 2.174 2.419 . 0 0 "[ . 1 . 2]" 1
740 1 10 ILE HB 1 10 ILE MD 2.900 . 4.400 2.416 2.214 2.619 . 0 0 "[ . 1 . 2]" 1
741 1 10 ILE HB 1 89 VAL QG 2.900 . 5.300 2.153 1.860 2.461 . 0 0 "[ . 1 . 2]" 1
742 1 10 ILE MD 1 10 ILE MG 2.900 . 5.900 2.036 1.777 2.360 0.023 15 0 "[ . 1 . 2]" 1
743 1 10 ILE MD 1 12 VAL QG 2.900 . 6.800 2.436 1.906 3.138 . 0 0 "[ . 1 . 2]" 1
744 1 10 ILE MD 1 12 VAL H 5.000 . 6.500 4.656 4.059 5.356 . 0 0 "[ . 1 . 2]" 1
745 1 10 ILE MD 1 28 PHE QD 5.000 . 8.500 3.417 2.613 3.814 . 0 0 "[ . 1 . 2]" 1
746 1 10 ILE MD 1 28 PHE QE 3.500 . 7.000 2.347 1.806 2.923 . 0 0 "[ . 1 . 2]" 1
747 1 10 ILE MD 1 28 PHE HZ 2.900 . 4.400 2.334 1.932 3.380 . 0 0 "[ . 1 . 2]" 1
748 1 10 ILE MD 1 62 VAL HB 2.900 . 4.400 2.424 1.964 3.155 . 0 0 "[ . 1 . 2]" 1
749 1 10 ILE MD 1 62 VAL QG 3.500 . 7.400 2.576 1.782 3.203 0.018 18 0 "[ . 1 . 2]" 1
750 1 10 ILE MD 1 62 VAL H 5.000 . 6.500 3.797 3.391 4.461 . 0 0 "[ . 1 . 2]" 1
751 1 10 ILE MD 1 70 ALA MB 5.000 . 8.000 3.925 3.213 4.513 . 0 0 "[ . 1 . 2]" 1
752 1 10 ILE MD 1 73 ALA MB 2.900 . 5.900 2.502 2.000 3.056 . 0 0 "[ . 1 . 2]" 1
753 1 10 ILE HG13 1 10 ILE MG 2.900 . 4.400 3.183 3.142 3.204 . 0 0 "[ . 1 . 2]" 1
754 1 10 ILE HG12 1 10 ILE MG 3.500 . 5.000 2.308 2.067 2.568 . 0 0 "[ . 1 . 2]" 1
755 1 10 ILE HG12 1 62 VAL QG 3.500 . 5.900 2.895 1.718 3.425 0.082 18 0 "[ . 1 . 2]" 1
756 1 10 ILE MG 1 70 ALA HA 2.900 . 4.400 2.446 2.032 2.734 . 0 0 "[ . 1 . 2]" 1
757 1 10 ILE MG 1 70 ALA MB 2.900 . 5.900 1.888 1.773 2.103 0.027 5 0 "[ . 1 . 2]" 1
758 1 10 ILE MG 1 73 ALA MB 2.900 . 5.900 2.937 2.549 3.350 . 0 0 "[ . 1 . 2]" 1
759 1 10 ILE MG 1 73 ALA H 5.000 . 6.500 4.528 4.156 4.828 . 0 0 "[ . 1 . 2]" 1
760 1 10 ILE MG 1 74 ILE MD 2.900 . 5.900 2.585 2.136 2.917 . 0 0 "[ . 1 . 2]" 1
761 1 10 ILE MG 1 74 ILE HG13 2.900 . 4.400 2.708 1.976 2.988 . 0 0 "[ . 1 . 2]" 1
762 1 10 ILE MG 1 74 ILE H 5.000 . 6.500 3.828 3.213 4.042 . 0 0 "[ . 1 . 2]" 1
763 1 10 ILE MG 1 89 VAL QG 2.900 . 6.800 2.703 2.342 3.078 . 0 0 "[ . 1 . 2]" 1
764 1 11 PHE HA 1 61 THR HA 5.000 . 5.000 2.166 1.769 2.640 0.031 4 0 "[ . 1 . 2]" 1
765 1 11 PHE HA 1 61 THR MG 3.500 . 5.000 2.804 1.980 3.227 . 0 0 "[ . 1 . 2]" 1
766 1 11 PHE QB 1 61 THR MG 5.000 . 7.500 3.222 1.938 4.050 . 0 0 "[ . 1 . 2]" 1
767 1 12 VAL HA 1 12 VAL QG 2.900 . 4.600 1.999 1.936 2.123 . 0 0 "[ . 1 . 2]" 1
768 1 12 VAL HB 1 15 LEU QD 5.000 . 7.400 2.674 2.145 3.698 . 0 0 "[ . 1 . 2]" 1
769 1 12 VAL HB 1 87 ILE MD 3.500 . 5.000 4.025 3.920 4.095 . 0 0 "[ . 1 . 2]" 1
770 1 12 VAL QG 1 15 LEU QD 2.900 . 7.700 2.615 1.963 3.362 . 0 0 "[ . 1 . 2]" 1
771 1 12 VAL QG 1 28 PHE QE 3.500 . 7.900 2.129 1.774 3.487 0.026 3 0 "[ . 1 . 2]" 1
772 1 13 GLN HE22 1 61 THR MG 3.500 . 5.000 3.679 3.126 4.048 . 0 0 "[ . 1 . 2]" 1
773 1 13 GLN H 1 89 VAL QG 5.000 . 7.400 4.132 3.708 4.400 . 0 0 "[ . 1 . 2]" 1
774 1 14 GLY QA 1 87 ILE MG 3.500 . 6.000 2.891 2.243 3.582 . 0 0 "[ . 1 . 2]" 1
775 1 15 LEU HA 1 15 LEU QD 2.900 . 4.600 2.277 1.890 3.155 . 0 0 "[ . 1 . 2]" 1
776 1 15 LEU QB 1 19 VAL QG 2.900 . 6.300 2.910 1.788 4.244 0.012 7 0 "[ . 1 . 2]" 1
777 1 15 LEU QD 1 60 ALA MB 2.900 . 6.800 2.492 1.868 3.284 . 0 0 "[ . 1 . 2]" 1
778 1 15 LEU QD 1 82 PHE QB 5.000 . 8.400 3.039 2.085 3.692 . 0 0 "[ . 1 . 2]" 1
779 1 15 LEU QD 1 82 PHE QD 3.500 . 7.900 2.249 1.812 3.162 . 0 0 "[ . 1 . 2]" 1
780 1 15 LEU QD 1 87 ILE MD 3.500 . 7.400 3.691 3.027 4.199 . 0 0 "[ . 1 . 2]" 1
781 1 15 LEU QD 1 87 ILE MG 2.900 . 6.800 2.309 1.665 2.838 0.135 2 0 "[ . 1 . 2]" 1
782 1 18 ASN HD22 1 19 VAL QG 3.500 . 5.900 4.212 3.611 4.530 . 0 0 "[ . 1 . 2]" 1
783 1 19 VAL HA 1 19 VAL HB 2.900 . 2.900 2.748 2.427 3.004 0.104 20 0 "[ . 1 . 2]" 1
784 1 19 VAL HA 1 19 VAL QG 2.900 . 4.600 2.156 2.023 2.338 . 0 0 "[ . 1 . 2]" 1
785 1 19 VAL HA 1 56 LEU QD 5.000 . 7.400 4.591 3.875 5.527 . 0 0 "[ . 1 . 2]" 1
786 1 19 VAL QG 1 20 THR MG 3.500 . 7.400 3.991 3.116 4.517 . 0 0 "[ . 1 . 2]" 1
787 1 20 THR HA 1 47 LEU QD 3.500 . 5.900 2.503 2.000 2.892 . 0 0 "[ . 1 . 2]" 1
788 1 20 THR MG 1 47 LEU QD 3.500 . 7.400 3.564 3.129 4.007 . 0 0 "[ . 1 . 2]" 1
789 1 21 ILE HA 1 21 ILE MD 2.900 . 4.400 2.897 1.985 3.778 . 0 0 "[ . 1 . 2]" 1
790 1 21 ILE HA 1 21 ILE MG 2.900 . 4.400 2.350 2.230 2.424 . 0 0 "[ . 1 . 2]" 1
791 1 21 ILE HA 1 24 VAL HB 5.000 . 5.000 2.915 2.735 3.186 . 0 0 "[ . 1 . 2]" 1
792 1 21 ILE HA 1 25 ALA MB 5.000 . 6.500 4.036 3.836 4.216 . 0 0 "[ . 1 . 2]" 1
793 1 21 ILE HA 1 45 ILE MD 5.000 . 6.500 2.442 1.903 2.942 . 0 0 "[ . 1 . 2]" 1
794 1 21 ILE HA 1 45 ILE MG 3.500 . 5.000 3.097 2.560 3.675 . 0 0 "[ . 1 . 2]" 1
795 1 21 ILE HA 1 47 LEU QD 3.500 . 5.900 3.180 2.604 3.725 . 0 0 "[ . 1 . 2]" 1
796 1 21 ILE HB 1 21 ILE MD 2.900 . 4.400 2.832 2.171 3.229 . 0 0 "[ . 1 . 2]" 1
797 1 21 ILE MD 1 45 ILE HB 2.900 . 4.400 2.593 1.823 3.771 . 0 0 "[ . 1 . 2]" 1
798 1 21 ILE MD 1 45 ILE MG 2.900 . 5.900 3.147 1.880 4.000 . 0 0 "[ . 1 . 2]" 1
799 1 21 ILE HG13 1 21 ILE MG 2.900 . 4.400 2.740 2.310 3.203 . 0 0 "[ . 1 . 2]" 1
800 1 21 ILE HG13 1 47 LEU QD 2.900 . 5.300 2.856 1.938 3.707 . 0 0 "[ . 1 . 2]" 1
801 1 21 ILE HG12 1 21 ILE MG 2.900 . 4.400 2.789 2.060 3.204 . 0 0 "[ . 1 . 2]" 1
802 1 21 ILE HG12 1 47 LEU QD 3.500 . 5.900 2.533 1.992 3.649 . 0 0 "[ . 1 . 2]" 1
803 1 21 ILE H 1 21 ILE MG 2.900 . 4.400 3.765 3.741 3.772 . 0 0 "[ . 1 . 2]" 1
804 1 21 ILE MG 1 22 GLU HA 5.000 . 6.500 3.590 3.396 3.793 . 0 0 "[ . 1 . 2]" 1
805 1 21 ILE MG 1 43 PRO QD 3.500 . 6.000 4.104 3.711 4.355 . 0 0 "[ . 1 . 2]" 1
806 1 21 ILE MG 1 45 ILE HB 2.900 . 4.400 2.153 1.888 2.566 . 0 0 "[ . 1 . 2]" 1
807 1 21 ILE MG 1 45 ILE MG 2.900 . 5.900 3.541 3.153 3.881 . 0 0 "[ . 1 . 2]" 1
808 1 22 GLU HA 1 22 GLU QG 3.500 . 4.500 3.295 2.049 3.433 . 0 0 "[ . 1 . 2]" 1
809 1 22 GLU HA 1 25 ALA MB 3.500 . 5.000 2.282 1.968 2.377 . 0 0 "[ . 1 . 2]" 1
810 1 22 GLU HA 1 25 ALA H 5.000 . 5.000 3.460 3.220 3.590 . 0 0 "[ . 1 . 2]" 1
811 1 22 GLU QB 1 25 ALA MB 2.900 . 5.400 3.906 3.867 3.978 . 0 0 "[ . 1 . 2]" 1
812 1 23 SER QB 1 24 VAL QG 5.000 . 8.400 3.176 2.748 3.842 . 0 0 "[ . 1 . 2]" 1
813 1 24 VAL HA 1 24 VAL QG 2.900 . 4.600 2.132 2.083 2.189 . 0 0 "[ . 1 . 2]" 1
814 1 24 VAL HB 1 45 ILE MG 3.500 . 5.000 3.014 2.625 3.382 . 0 0 "[ . 1 . 2]" 1
815 1 24 VAL QG 1 28 PHE QD 2.900 . 7.300 2.416 1.786 3.395 0.014 18 0 "[ . 1 . 2]" 1
816 1 24 VAL QG 1 28 PHE QE 2.900 . 7.300 3.595 2.417 4.286 . 0 0 "[ . 1 . 2]" 1
817 1 24 VAL QG 1 62 VAL QG 2.900 . 7.700 1.682 1.560 1.846 0.240 2 0 "[ . 1 . 2]" 1
818 1 24 VAL H 1 25 ALA MB 3.500 . 5.000 4.085 3.995 4.133 . 0 0 "[ . 1 . 2]" 1
819 1 24 VAL H 1 45 ILE MD 5.000 . 6.500 3.962 3.529 4.464 . 0 0 "[ . 1 . 2]" 1
820 1 25 ALA HA 1 34 ILE MD 2.900 . 4.400 1.905 1.804 2.273 . 0 0 "[ . 1 . 2]" 1
821 1 25 ALA HA 1 45 ILE MD 2.900 . 4.400 2.783 2.350 3.110 . 0 0 "[ . 1 . 2]" 1
822 1 25 ALA MB 1 34 ILE HB 2.900 . 4.400 3.531 3.459 3.581 . 0 0 "[ . 1 . 2]" 1
823 1 25 ALA MB 1 34 ILE MD 2.900 . 5.900 2.408 1.919 2.975 . 0 0 "[ . 1 . 2]" 1
824 1 25 ALA MB 1 43 PRO QB 3.500 . 6.000 2.144 1.856 2.700 . 0 0 "[ . 1 . 2]" 1
825 1 25 ALA MB 1 43 PRO QG 5.000 . 7.500 1.880 1.721 2.130 0.079 14 0 "[ . 1 . 2]" 1
826 1 25 ALA MB 1 45 ILE MD 2.900 . 5.900 2.249 1.897 2.588 . 0 0 "[ . 1 . 2]" 1
827 1 25 ALA H 1 45 ILE MD 3.500 . 5.000 2.845 2.517 3.261 . 0 0 "[ . 1 . 2]" 1
828 1 25 ALA H 1 45 ILE MG 5.000 . 6.500 4.976 4.526 5.311 . 0 0 "[ . 1 . 2]" 1
829 1 27 TYR HA 1 27 TYR QD 3.500 . 4.900 3.602 3.410 3.704 . 0 0 "[ . 1 . 2]" 1
830 1 27 TYR QB 1 28 PHE QD 5.000 . 8.000 5.182 4.109 5.820 . 0 0 "[ . 1 . 2]" 1
831 1 27 TYR QD 1 87 ILE MD 5.000 . 8.500 5.119 4.637 5.906 . 0 0 "[ . 1 . 2]" 1
832 1 28 PHE QB 1 34 ILE MD 3.500 . 6.000 2.364 1.740 2.987 0.060 19 0 "[ . 1 . 2]" 1
833 1 28 PHE QB 1 77 PHE QE 5.000 . 8.000 4.838 4.117 5.205 . 0 0 "[ . 1 . 2]" 1
834 1 28 PHE QD 1 62 VAL QG 5.000 . 7.900 2.278 1.803 2.885 . 0 0 "[ . 1 . 2]" 1
835 1 28 PHE QE 1 62 VAL QG 5.000 . 9.400 2.786 1.974 3.533 . 0 0 "[ . 1 . 2]" 1
836 1 28 PHE H 1 34 ILE MD 5.000 . 6.500 3.470 3.095 3.873 . 0 0 "[ . 1 . 2]" 1
837 1 29 LYS HA 1 34 ILE MD 3.500 . 5.000 2.660 2.188 3.576 . 0 0 "[ . 1 . 2]" 1
838 1 29 LYS QB 1 34 ILE MD 3.500 . 6.000 2.401 1.843 3.648 . 0 0 "[ . 1 . 2]" 1
839 1 30 GLN HA 1 30 GLN QG 3.500 . 4.500 2.890 2.215 3.375 . 0 0 "[ . 1 . 2]" 1
840 1 31 ILE HA 1 31 ILE MD 2.900 . 4.400 2.472 2.096 2.884 . 0 0 "[ . 1 . 2]" 1
841 1 31 ILE HA 1 31 ILE HG13 3.500 . 3.500 2.521 2.345 2.745 . 0 0 "[ . 1 . 2]" 1
842 1 31 ILE HA 1 31 ILE MG 2.900 . 4.400 3.199 3.184 3.206 . 0 0 "[ . 1 . 2]" 1
843 1 31 ILE HB 1 31 ILE MD 2.900 . 4.400 2.202 1.991 2.311 . 0 0 "[ . 1 . 2]" 1
844 1 31 ILE HB 1 77 PHE HZ 3.500 . 3.500 2.634 2.151 2.958 . 0 0 "[ . 1 . 2]" 1
845 1 31 ILE MD 1 31 ILE MG 2.900 . 5.900 3.090 2.899 3.217 . 0 0 "[ . 1 . 2]" 1
846 1 31 ILE MD 1 73 ALA H 5.000 . 6.500 3.781 3.350 4.223 . 0 0 "[ . 1 . 2]" 1
847 1 31 ILE MD 1 76 TRP QB 3.500 . 6.000 2.166 1.850 2.811 . 0 0 "[ . 1 . 2]" 1
848 1 31 ILE MD 1 76 TRP HD1 5.000 . 6.500 5.127 4.649 5.520 . 0 0 "[ . 1 . 2]" 1
849 1 31 ILE MD 1 76 TRP HE3 5.000 . 6.500 1.839 1.755 1.932 0.045 14 0 "[ . 1 . 2]" 1
850 1 31 ILE MD 1 77 PHE HZ 3.500 . 5.000 3.897 3.393 4.071 . 0 0 "[ . 1 . 2]" 1
851 1 31 ILE HG13 1 31 ILE MG 2.900 . 4.400 2.704 2.481 2.905 . 0 0 "[ . 1 . 2]" 1
852 1 31 ILE HG12 1 31 ILE MG 2.900 . 4.400 2.155 1.983 2.293 . 0 0 "[ . 1 . 2]" 1
853 1 31 ILE HG12 1 72 ALA MB 2.900 . 4.400 2.871 2.401 3.319 . 0 0 "[ . 1 . 2]" 1
854 1 31 ILE HG12 1 73 ALA MB 3.500 . 5.000 2.468 2.093 2.970 . 0 0 "[ . 1 . 2]" 1
855 1 31 ILE MG 1 32 GLY QA 3.500 . 6.000 2.971 2.788 3.083 . 0 0 "[ . 1 . 2]" 1
856 1 31 ILE MG 1 73 ALA MB 2.900 . 5.900 1.961 1.810 2.180 . 0 0 "[ . 1 . 2]" 1
857 1 31 ILE MG 1 77 PHE QE 3.500 . 7.000 2.087 1.800 3.405 . 0 0 "[ . 1 . 2]" 1
858 1 31 ILE MG 1 77 PHE HZ 2.900 . 4.400 2.676 1.966 3.495 . 0 0 "[ . 1 . 2]" 1
859 1 33 ILE HA 1 33 ILE MD 2.900 . 4.400 3.827 3.769 3.881 . 0 0 "[ . 1 . 2]" 1
860 1 33 ILE HA 1 33 ILE MG 2.900 . 4.400 2.224 2.070 2.302 . 0 0 "[ . 1 . 2]" 1
861 1 33 ILE HA 1 34 ILE HB 5.000 . 5.000 4.738 4.548 4.831 . 0 0 "[ . 1 . 2]" 1
862 1 33 ILE HB 1 33 ILE MD 2.900 . 4.400 2.417 2.192 2.545 . 0 0 "[ . 1 . 2]" 1
863 1 33 ILE HB 1 65 ASP QB 5.000 . 6.000 2.134 1.823 2.811 . 0 0 "[ . 1 . 2]" 1
864 1 33 ILE MD 1 34 ILE H 5.000 . 6.500 5.087 4.833 5.435 . 0 0 "[ . 1 . 2]" 1
865 1 33 ILE MD 1 65 ASP QB 3.500 . 6.000 3.097 2.378 3.415 . 0 0 "[ . 1 . 2]" 1
866 1 33 ILE HG12 1 33 ILE MG 2.900 . 4.400 2.403 1.969 2.530 . 0 0 "[ . 1 . 2]" 1
867 1 33 ILE H 1 33 ILE MG 3.500 . 5.000 3.827 3.757 3.862 . 0 0 "[ . 1 . 2]" 1
868 1 33 ILE MG 1 65 ASP QB 2.900 . 5.400 2.712 2.081 3.188 . 0 0 "[ . 1 . 2]" 1
869 1 33 ILE MG 1 65 ASP H 3.500 . 5.000 3.921 3.313 4.125 . 0 0 "[ . 1 . 2]" 1
870 1 34 ILE HA 1 34 ILE MD 3.500 . 5.000 3.775 3.347 3.907 . 0 0 "[ . 1 . 2]" 1
871 1 34 ILE HA 1 34 ILE MG 2.900 . 4.400 2.392 2.324 2.490 . 0 0 "[ . 1 . 2]" 1
872 1 34 ILE HA 1 64 PHE HA 3.500 . 3.500 2.055 1.888 2.303 . 0 0 "[ . 1 . 2]" 1
873 1 34 ILE H 1 34 ILE MD 2.900 . 4.400 2.873 2.139 3.863 . 0 0 "[ . 1 . 2]" 1
874 1 34 ILE MD 1 44 MET H 5.000 . 6.500 5.262 5.066 5.366 . 0 0 "[ . 1 . 2]" 1
875 1 34 ILE MD 1 45 ILE MD 2.900 . 5.900 3.111 2.044 3.663 . 0 0 "[ . 1 . 2]" 1
876 1 34 ILE MD 1 62 VAL QG 2.900 . 6.800 3.128 1.711 4.001 0.089 19 0 "[ . 1 . 2]" 1
877 1 34 ILE HG13 1 62 VAL QG 3.500 . 5.900 3.519 2.805 3.978 . 0 0 "[ . 1 . 2]" 1
878 1 34 ILE HG12 1 34 ILE MG 3.500 . 5.000 2.163 1.954 2.817 . 0 0 "[ . 1 . 2]" 1
879 1 34 ILE HG12 1 62 VAL QG 3.500 . 5.900 2.478 1.885 3.277 . 0 0 "[ . 1 . 2]" 1
880 1 34 ILE MG 1 35 LYS HA 5.000 . 6.500 4.190 4.068 4.292 . 0 0 "[ . 1 . 2]" 1
881 1 34 ILE MG 1 35 LYS QB 2.900 . 5.400 3.388 3.139 3.629 . 0 0 "[ . 1 . 2]" 1
882 1 34 ILE MG 1 35 LYS H 2.900 . 4.400 2.491 2.169 2.715 . 0 0 "[ . 1 . 2]" 1
883 1 34 ILE MG 1 43 PRO HA 3.500 . 5.000 3.023 2.804 3.241 . 0 0 "[ . 1 . 2]" 1
884 1 34 ILE MG 1 43 PRO QB 2.900 . 5.400 1.875 1.697 2.126 0.103 14 0 "[ . 1 . 2]" 1
885 1 34 ILE MG 1 44 MET H 2.900 . 4.400 2.314 1.959 2.764 . 0 0 "[ . 1 . 2]" 1
886 1 34 ILE MG 1 45 ILE HG12 2.900 . 4.400 3.345 2.769 3.670 . 0 0 "[ . 1 . 2]" 1
887 1 34 ILE MG 1 62 VAL QG 2.900 . 6.800 2.129 1.952 2.500 . 0 0 "[ . 1 . 2]" 1
888 1 34 ILE MG 1 64 PHE HA 5.000 . 6.500 3.540 3.249 3.885 . 0 0 "[ . 1 . 2]" 1
889 1 34 ILE MG 1 65 ASP H 5.000 . 6.500 4.894 4.547 5.162 . 0 0 "[ . 1 . 2]" 1
890 1 35 LYS QB 1 35 LYS QE 3.500 . 5.500 2.722 1.936 3.591 . 0 0 "[ . 1 . 2]" 1
891 1 36 THR HA 1 36 THR MG 2.900 . 4.400 2.407 2.035 3.173 . 0 0 "[ . 1 . 2]" 1
892 1 36 THR HA 1 37 ASN QB 5.000 . 6.000 4.353 3.916 4.830 . 0 0 "[ . 1 . 2]" 1
893 1 36 THR HA 1 43 PRO HA 2.900 . 2.900 1.842 1.715 2.002 0.085 19 0 "[ . 1 . 2]" 1
894 1 36 THR HB 1 43 PRO HA 5.000 . 5.000 4.134 1.887 4.739 . 0 0 "[ . 1 . 2]" 1
895 1 36 THR MG 1 43 PRO HA 3.500 . 5.000 3.226 2.795 3.469 . 0 0 "[ . 1 . 2]" 1
896 1 36 THR MG 1 43 PRO QB 3.500 . 6.000 4.253 3.889 4.407 . 0 0 "[ . 1 . 2]" 1
897 1 37 ASN QB 1 40 THR MG 2.900 . 5.400 3.528 2.182 4.081 . 0 0 "[ . 1 . 2]" 1
898 1 37 ASN QB 1 44 MET QG 3.500 . 5.500 2.477 1.708 3.323 0.092 10 0 "[ . 1 . 2]" 1
899 1 39 LYS QB 1 40 THR MG 3.500 . 6.000 3.135 2.310 4.583 . 0 0 "[ . 1 . 2]" 1
900 1 42 GLN HA 1 43 PRO QD 2.900 . 3.900 2.078 1.943 2.183 . 0 0 "[ . 1 . 2]" 1
901 1 42 GLN QB 1 43 PRO QD 3.500 . 5.500 2.192 1.863 2.506 . 0 0 "[ . 1 . 2]" 1
902 1 43 PRO QB 1 45 ILE MD 2.900 . 5.400 2.598 2.172 3.146 . 0 0 "[ . 1 . 2]" 1
903 1 43 PRO QB 1 45 ILE HG13 5.000 . 6.000 3.943 3.350 4.429 . 0 0 "[ . 1 . 2]" 1
904 1 43 PRO QG 1 45 ILE MD 5.000 . 7.500 3.952 3.077 4.508 . 0 0 "[ . 1 . 2]" 1
905 1 44 MET HA 1 44 MET QG 3.500 . 4.500 2.234 2.044 2.591 . 0 0 "[ . 1 . 2]" 1
906 1 44 MET QB 1 63 SER QB 3.500 . 5.500 3.077 2.525 3.597 . 0 0 "[ . 1 . 2]" 1
907 1 45 ILE HA 1 45 ILE MG 2.900 . 4.400 2.521 2.403 2.665 . 0 0 "[ . 1 . 2]" 1
908 1 45 ILE HA 1 62 VAL QG 5.000 . 7.400 3.713 3.399 4.107 . 0 0 "[ . 1 . 2]" 1
909 1 45 ILE HB 1 45 ILE MD 2.900 . 4.400 2.162 1.989 2.319 . 0 0 "[ . 1 . 2]" 1
910 1 45 ILE H 1 45 ILE MD 5.000 . 6.500 3.654 2.953 4.157 . 0 0 "[ . 1 . 2]" 1
911 1 45 ILE MD 1 62 VAL HA 5.000 . 6.500 3.606 3.337 3.993 . 0 0 "[ . 1 . 2]" 1
912 1 45 ILE MD 1 62 VAL QG 2.900 . 6.800 2.326 1.747 2.789 0.053 13 0 "[ . 1 . 2]" 1
913 1 45 ILE HG12 1 62 VAL QG 2.900 . 5.300 1.867 1.742 2.026 0.058 4 0 "[ . 1 . 2]" 1
914 1 45 ILE MG 1 62 VAL HA 5.000 . 6.500 2.566 1.894 3.267 . 0 0 "[ . 1 . 2]" 1
915 1 45 ILE MG 1 62 VAL QG 2.900 . 6.800 2.224 1.810 2.824 . 0 0 "[ . 1 . 2]" 1
916 1 47 LEU HA 1 47 LEU QD 2.900 . 4.600 3.023 2.258 3.373 . 0 0 "[ . 1 . 2]" 1
917 1 47 LEU HA 1 48 TYR QB 5.000 . 6.000 4.328 4.067 4.562 . 0 0 "[ . 1 . 2]" 1
918 1 47 LEU HA 1 60 ALA HA 5.000 . 5.000 2.134 1.968 2.595 . 0 0 "[ . 1 . 2]" 1
919 1 47 LEU HA 1 60 ALA MB 3.500 . 5.000 2.158 1.847 2.664 . 0 0 "[ . 1 . 2]" 1
920 1 47 LEU QD 1 60 ALA HA 3.500 . 5.900 3.967 3.243 4.439 . 0 0 "[ . 1 . 2]" 1
921 1 47 LEU QD 1 60 ALA MB 2.900 . 6.800 2.203 1.662 2.962 0.138 17 0 "[ . 1 . 2]" 1
922 1 47 LEU HG 1 60 ALA MB 5.000 . 6.500 3.194 2.014 4.520 . 0 0 "[ . 1 . 2]" 1
923 1 48 TYR QB 1 57 LYS QE 3.500 . 5.500 3.378 1.868 4.473 . 0 0 "[ . 1 . 2]" 1
924 1 49 THR HA 1 49 THR MG 2.900 . 4.400 2.503 2.071 3.158 . 0 0 "[ . 1 . 2]" 1
925 1 49 THR HA 1 56 LEU HA 2.900 . 2.900 2.069 1.773 2.496 0.027 6 0 "[ . 1 . 2]" 1
926 1 49 THR HA 1 56 LEU QD 2.900 . 5.300 3.504 2.512 4.031 . 0 0 "[ . 1 . 2]" 1
927 1 49 THR HA 1 57 LYS QG 5.000 . 6.000 2.955 2.000 3.820 . 0 0 "[ . 1 . 2]" 1
928 1 49 THR HB 1 56 LEU HA 2.900 . 2.900 2.545 1.855 2.940 0.040 3 0 "[ . 1 . 2]" 1
929 1 49 THR MG 1 56 LEU HA 2.900 . 4.400 2.879 1.923 3.684 . 0 0 "[ . 1 . 2]" 1
930 1 49 THR MG 1 56 LEU QD 2.900 . 6.800 2.150 1.685 3.172 0.115 2 0 "[ . 1 . 2]" 1
931 1 50 ASP H 1 56 LEU QD 5.000 . 7.400 4.223 2.610 4.947 . 0 0 "[ . 1 . 2]" 1
932 1 51 ARG HA 1 51 ARG QD 2.900 . 3.900 3.189 1.955 3.633 . 0 0 "[ . 1 . 2]" 1
933 1 51 ARG HA 1 51 ARG QG 3.500 . 4.500 3.249 2.367 3.481 . 0 0 "[ . 1 . 2]" 1
934 1 51 ARG QD 1 52 GLU QG 3.500 . 5.500 3.631 1.882 4.451 . 0 0 "[ . 1 . 2]" 1
935 1 52 GLU HA 1 52 GLU QG 3.500 . 4.500 2.616 2.034 3.338 . 0 0 "[ . 1 . 2]" 1
936 1 53 THR HA 1 53 THR MG 2.900 . 4.400 3.040 2.478 3.224 . 0 0 "[ . 1 . 2]" 1
937 1 53 THR MG 1 55 LYS QG 2.900 . 5.400 2.888 1.743 4.030 0.057 12 0 "[ . 1 . 2]" 1
938 1 55 LYS HA 1 56 LEU H 3.500 . 3.500 2.701 2.141 3.554 0.054 5 0 "[ . 1 . 2]" 1
939 1 55 LYS QG 1 56 LEU H 5.000 . 6.000 4.040 3.357 4.803 . 0 0 "[ . 1 . 2]" 1
940 1 56 LEU HA 1 56 LEU QD 2.900 . 4.600 2.645 1.985 3.457 . 0 0 "[ . 1 . 2]" 1
941 1 56 LEU H 1 56 LEU HG 3.500 . 3.500 3.044 2.000 3.674 0.174 9 0 "[ . 1 . 2]" 1
942 1 57 LYS HA 1 57 LYS QG 3.500 . 4.500 2.646 2.041 3.344 . 0 0 "[ . 1 . 2]" 1
943 1 57 LYS H 1 57 LYS QG 3.500 . 4.500 2.500 1.967 3.419 . 0 0 "[ . 1 . 2]" 1
944 1 59 GLU HA 1 59 GLU QG 3.500 . 4.500 2.813 2.193 3.386 . 0 0 "[ . 1 . 2]" 1
945 1 60 ALA HA 1 61 THR MG 5.000 . 6.500 3.317 3.144 3.592 . 0 0 "[ . 1 . 2]" 1
946 1 60 ALA MB 1 61 THR MG 3.500 . 6.500 4.139 3.873 4.328 . 0 0 "[ . 1 . 2]" 1
947 1 61 THR HA 1 61 THR MG 2.900 . 4.400 2.543 2.296 2.863 . 0 0 "[ . 1 . 2]" 1
948 1 61 THR HA 1 62 VAL QG 5.000 . 7.400 3.668 3.246 4.343 . 0 0 "[ . 1 . 2]" 1
949 1 61 THR MG 1 62 VAL H 3.500 . 5.000 4.167 3.916 4.271 . 0 0 "[ . 1 . 2]" 1
950 1 62 VAL HA 1 62 VAL QG 2.900 . 4.600 2.112 2.029 2.155 . 0 0 "[ . 1 . 2]" 1
951 1 64 PHE QD 1 70 ALA HA 5.000 . 7.000 2.596 1.947 3.961 . 0 0 "[ . 1 . 2]" 1
952 1 66 ASP HA 1 67 PRO QD 2.900 . 3.900 1.965 1.919 1.994 . 0 0 "[ . 1 . 2]" 1
953 1 66 ASP QB 1 68 PRO QD 5.000 . 7.000 2.638 2.282 3.206 . 0 0 "[ . 1 . 2]" 1
954 1 67 PRO HA 1 70 ALA MB 3.500 . 5.000 3.146 2.961 3.378 . 0 0 "[ . 1 . 2]" 1
955 1 67 PRO QD 1 68 PRO QD 5.000 . 7.000 2.044 1.901 2.164 . 0 0 "[ . 1 . 2]" 1
956 1 68 PRO QD 1 69 SER QB 3.500 . 5.500 4.128 3.895 4.266 . 0 0 "[ . 1 . 2]" 1
957 1 69 SER HA 1 72 ALA MB 2.900 . 4.400 2.459 2.272 2.665 . 0 0 "[ . 1 . 2]" 1
958 1 70 ALA HA 1 73 ALA MB 2.900 . 4.400 2.708 2.507 3.150 . 0 0 "[ . 1 . 2]" 1
959 1 70 ALA MB 1 74 ILE MD 5.000 . 8.000 2.819 2.508 3.008 . 0 0 "[ . 1 . 2]" 1
960 1 70 ALA H 1 74 ILE MD 5.000 . 6.500 5.187 4.991 5.232 . 0 0 "[ . 1 . 2]" 1
961 1 71 LYS HA 1 71 LYS QG 3.500 . 4.500 2.943 2.307 3.419 . 0 0 "[ . 1 . 2]" 1
962 1 71 LYS HA 1 74 ILE HB 5.000 . 5.000 2.814 2.506 2.982 . 0 0 "[ . 1 . 2]" 1
963 1 71 LYS HA 1 74 ILE MD 2.900 . 4.400 1.845 1.787 1.910 0.013 8 0 "[ . 1 . 2]" 1
964 1 71 LYS QD 1 72 ALA MB 3.500 . 6.000 4.348 3.907 4.523 . 0 0 "[ . 1 . 2]" 1
965 1 71 LYS QD 1 74 ILE HB 2.900 . 3.900 2.906 2.310 3.363 . 0 0 "[ . 1 . 2]" 1
966 1 71 LYS QE 1 72 ALA MB 5.000 . 7.500 5.244 3.127 5.649 . 0 0 "[ . 1 . 2]" 1
967 1 71 LYS QE 1 74 ILE HB 3.500 . 4.500 3.424 1.943 4.097 . 0 0 "[ . 1 . 2]" 1
968 1 71 LYS QE 1 74 ILE MD 5.000 . 7.500 3.484 1.966 4.650 . 0 0 "[ . 1 . 2]" 1
969 1 71 LYS QG 1 74 ILE MD 3.500 . 6.000 3.682 2.575 4.394 . 0 0 "[ . 1 . 2]" 1
970 1 71 LYS H 1 72 ALA MB 5.000 . 6.500 4.277 4.211 4.350 . 0 0 "[ . 1 . 2]" 1
971 1 72 ALA HA 1 75 ASP QB 3.500 . 4.500 2.469 2.287 2.895 . 0 0 "[ . 1 . 2]" 1
972 1 72 ALA MB 1 73 ALA MB 2.900 . 5.900 3.854 3.676 3.933 . 0 0 "[ . 1 . 2]" 1
973 1 72 ALA MB 1 74 ILE H 5.000 . 6.500 4.678 4.590 4.749 . 0 0 "[ . 1 . 2]" 1
974 1 73 ALA HA 1 76 TRP H 3.500 . 3.500 3.409 3.239 3.533 0.033 11 0 "[ . 1 . 2]" 1
975 1 73 ALA HA 1 77 PHE QD 2.900 . 4.900 3.157 2.354 3.699 . 0 0 "[ . 1 . 2]" 1
976 1 73 ALA MB 1 74 ILE HA 3.500 . 5.000 3.740 3.697 3.789 . 0 0 "[ . 1 . 2]" 1
977 1 73 ALA MB 1 74 ILE H 2.900 . 4.400 2.405 2.274 2.518 . 0 0 "[ . 1 . 2]" 1
978 1 73 ALA MB 1 75 ASP H 3.500 . 5.000 4.267 4.216 4.286 . 0 0 "[ . 1 . 2]" 1
979 1 73 ALA MB 1 76 TRP QB 5.000 . 7.500 4.110 3.706 5.180 . 0 0 "[ . 1 . 2]" 1
980 1 73 ALA MB 1 77 PHE QE 3.500 . 7.000 2.072 1.897 3.344 . 0 0 "[ . 1 . 2]" 1
981 1 73 ALA MB 1 77 PHE HZ 3.500 . 5.000 3.984 3.908 4.037 . 0 0 "[ . 1 . 2]" 1
982 1 73 ALA MB 1 89 VAL QG 2.900 . 6.800 2.669 2.266 3.087 . 0 0 "[ . 1 . 2]" 1
983 1 74 ILE HA 1 74 ILE MD 3.500 . 5.000 3.909 3.871 3.933 . 0 0 "[ . 1 . 2]" 1
984 1 74 ILE HA 1 74 ILE MG 2.900 . 4.400 2.348 2.207 2.448 . 0 0 "[ . 1 . 2]" 1
985 1 74 ILE HA 1 89 VAL HB 5.000 . 5.000 2.519 2.205 2.835 . 0 0 "[ . 1 . 2]" 1
986 1 74 ILE HA 1 89 VAL QG 2.900 . 5.300 2.653 2.274 3.050 . 0 0 "[ . 1 . 2]" 1
987 1 74 ILE HB 1 74 ILE MD 2.900 . 4.400 2.117 2.058 2.290 . 0 0 "[ . 1 . 2]" 1
988 1 74 ILE MD 1 74 ILE MG 2.900 . 5.900 2.464 2.239 2.547 . 0 0 "[ . 1 . 2]" 1
989 1 74 ILE MD 1 89 VAL QG 3.500 . 7.400 3.402 3.050 3.975 . 0 0 "[ . 1 . 2]" 1
990 1 74 ILE MD 1 90 SER HA 3.500 . 5.000 3.297 2.544 3.931 . 0 0 "[ . 1 . 2]" 1
991 1 74 ILE MD 1 91 PHE QD 3.500 . 7.000 2.595 1.820 3.075 . 0 0 "[ . 1 . 2]" 1
992 1 74 ILE HG13 1 89 VAL QG 2.900 . 5.300 2.453 2.103 3.075 . 0 0 "[ . 1 . 2]" 1
993 1 74 ILE HG12 1 74 ILE MG 2.900 . 4.400 2.160 2.026 2.227 . 0 0 "[ . 1 . 2]" 1
994 1 74 ILE HG12 1 89 VAL QG 5.000 . 7.400 2.269 1.911 3.116 . 0 0 "[ . 1 . 2]" 1
995 1 74 ILE MG 1 75 ASP HA 3.500 . 5.000 3.666 3.545 3.753 . 0 0 "[ . 1 . 2]" 1
996 1 74 ILE MG 1 78 ASP QB 3.500 . 6.000 1.942 1.814 2.246 . 0 0 "[ . 1 . 2]" 1
997 1 74 ILE MG 1 89 VAL QG 2.900 . 6.800 3.226 2.787 3.785 . 0 0 "[ . 1 . 2]" 1
998 1 74 ILE MG 1 90 SER HA 3.500 . 5.000 2.843 2.011 3.636 . 0 0 "[ . 1 . 2]" 1
999 1 77 PHE HA 1 80 LYS QG 5.000 . 6.000 2.073 1.816 2.514 . 0 0 "[ . 1 . 2]" 1
1000 1 77 PHE QB 1 87 ILE MD 3.500 . 6.000 2.274 1.856 2.909 . 0 0 "[ . 1 . 2]" 1
1001 1 77 PHE QB 1 89 VAL QG 2.900 . 6.300 1.794 1.698 1.953 0.102 8 0 "[ . 1 . 2]" 1
1002 1 78 ASP HA 1 89 VAL QG 3.500 . 5.900 2.967 2.335 3.503 . 0 0 "[ . 1 . 2]" 1
1003 1 78 ASP QB 1 89 VAL QG 5.000 . 8.400 3.697 3.338 4.137 . 0 0 "[ . 1 . 2]" 1
1004 1 81 GLU QG 1 86 PRO QD 5.000 . 7.000 5.268 4.343 5.599 . 0 0 "[ . 1 . 2]" 1
1005 1 82 PHE HA 1 87 ILE MD 5.000 . 6.500 4.494 2.970 5.235 . 0 0 "[ . 1 . 2]" 1
1006 1 82 PHE HA 1 87 ILE MG 3.500 . 5.000 3.672 3.151 4.019 . 0 0 "[ . 1 . 2]" 1
1007 1 82 PHE QB 1 87 ILE MD 3.500 . 6.000 3.578 1.945 4.123 . 0 0 "[ . 1 . 2]" 1
1008 1 82 PHE QB 1 87 ILE MG 2.900 . 5.400 1.792 1.729 1.870 0.071 2 0 "[ . 1 . 2]" 1
1009 1 82 PHE QD 1 87 ILE MD 2.900 . 6.400 2.830 1.927 3.713 . 0 0 "[ . 1 . 2]" 1
1010 1 82 PHE QD 1 87 ILE MG 5.000 . 8.500 1.855 1.763 1.953 0.037 6 0 "[ . 1 . 2]" 1
1011 1 85 ASN HA 1 86 PRO QD 2.900 . 3.900 2.090 1.994 2.164 . 0 0 "[ . 1 . 2]" 1
1012 1 85 ASN HA 1 86 PRO QG 5.000 . 6.000 4.012 3.962 4.090 . 0 0 "[ . 1 . 2]" 1
1013 1 85 ASN QB 1 86 PRO QD 3.500 . 5.500 1.970 1.871 2.230 . 0 0 "[ . 1 . 2]" 1
1014 1 86 PRO HA 1 86 PRO QG 3.500 . 4.500 3.537 3.519 3.544 . 0 0 "[ . 1 . 2]" 1
1015 1 86 PRO HA 1 87 ILE MG 3.500 . 5.000 3.696 3.403 3.929 . 0 0 "[ . 1 . 2]" 1
1016 1 86 PRO QB 1 86 PRO QD 2.900 . 4.900 2.938 2.836 2.977 . 0 0 "[ . 1 . 2]" 1
1017 1 87 ILE HA 1 87 ILE MG 2.900 . 4.400 2.348 2.233 2.477 . 0 0 "[ . 1 . 2]" 1
1018 1 87 ILE HB 1 87 ILE MD 2.900 . 4.400 2.262 2.180 2.394 . 0 0 "[ . 1 . 2]" 1
1019 1 87 ILE HB 1 88 LYS H 3.500 . 3.500 2.183 1.941 2.679 . 0 0 "[ . 1 . 2]" 1
1020 1 87 ILE H 1 87 ILE MD 3.500 . 5.000 4.009 3.842 4.189 . 0 0 "[ . 1 . 2]" 1
1021 1 87 ILE MD 1 88 LYS H 5.000 . 6.500 3.564 3.062 4.263 . 0 0 "[ . 1 . 2]" 1
1022 1 87 ILE HG13 1 87 ILE MG 2.900 . 4.400 3.141 3.087 3.203 . 0 0 "[ . 1 . 2]" 1
1023 1 87 ILE HG12 1 87 ILE MG 3.500 . 5.000 2.165 1.986 2.360 . 0 0 "[ . 1 . 2]" 1
1024 1 88 LYS HA 1 89 VAL QG 5.000 . 7.400 3.679 3.266 3.857 . 0 0 "[ . 1 . 2]" 1
1025 1 89 VAL HA 1 89 VAL QG 2.900 . 4.600 2.086 2.029 2.145 . 0 0 "[ . 1 . 2]" 1
1026 1 91 PHE HA 1 92 ALA MB 5.000 . 6.500 3.807 3.654 4.011 . 0 0 "[ . 1 . 2]" 1
1027 1 93 THR HA 1 93 THR HB 2.900 . 2.900 2.695 2.214 3.005 0.105 3 0 "[ . 1 . 2]" 1
1028 1 93 THR HA 1 93 THR MG 2.900 . 4.400 2.401 1.993 3.222 . 0 0 "[ . 1 . 2]" 1
1029 1 94 ARG HA 1 95 ARG QG 3.500 . 4.500 3.556 3.143 3.929 . 0 0 "[ . 1 . 2]" 1
1030 1 94 ARG QB 1 94 ARG QD 2.900 . 4.900 2.196 1.950 2.641 . 0 0 "[ . 1 . 2]" 1
1031 1 94 ARG H 1 95 ARG QG 5.000 . 6.000 4.515 3.730 5.283 . 0 0 "[ . 1 . 2]" 1
1032 1 95 ARG HA 1 95 ARG QG 3.500 . 4.500 2.921 2.492 3.338 . 0 0 "[ . 1 . 2]" 1
1033 1 95 ARG QG 1 96 ALA H 5.000 . 6.000 4.169 2.004 4.911 . 0 0 "[ . 1 . 2]" 1
1034 1 106 ARG HA 1 106 ARG QG 3.500 . 4.500 2.504 2.003 3.454 . 0 0 "[ . 1 . 2]" 1
1035 1 10 ILE MD 1 64 PHE QD 5.000 . 8.500 3.583 2.779 4.479 . 0 0 "[ . 1 . 2]" 1
1036 1 10 ILE HG13 1 64 PHE QD 5.000 . 7.000 5.005 4.282 6.115 . 0 0 "[ . 1 . 2]" 1
1037 1 12 VAL HB 1 82 PHE QE 3.500 . 5.500 3.641 3.400 4.337 . 0 0 "[ . 1 . 2]" 1
1038 1 12 VAL QG 1 82 PHE QE 3.500 . 7.900 2.724 2.078 3.216 . 0 0 "[ . 1 . 2]" 1
1039 1 24 VAL HA 1 82 PHE QE 5.000 . 7.000 3.479 3.142 3.921 . 0 0 "[ . 1 . 2]" 1
1040 1 27 TYR QD 1 28 PHE QD 5.000 . 9.000 3.686 3.197 4.097 . 0 0 "[ . 1 . 2]" 1
1041 1 27 TYR QD 1 28 PHE QE 3.500 . 7.500 5.068 3.744 5.834 . 0 0 "[ . 1 . 2]" 1
1042 1 27 TYR H 1 27 TYR QE 3.500 . 5.500 4.870 4.516 5.080 . 0 0 "[ . 1 . 2]" 1
1043 1 27 TYR QE 1 28 PHE QE 3.500 . 7.500 3.392 2.244 4.162 . 0 0 "[ . 1 . 2]" 1
1044 1 27 TYR QE 1 82 PHE HA 3.500 . 5.500 4.368 3.052 5.276 . 0 0 "[ . 1 . 2]" 1
1045 1 27 TYR QE 1 87 ILE MD 2.900 . 6.400 3.351 2.727 4.160 . 0 0 "[ . 1 . 2]" 1
1046 1 28 PHE HA 1 28 PHE QD 2.900 . 4.900 2.411 1.751 3.024 0.049 2 0 "[ . 1 . 2]" 1
1047 1 28 PHE QB 1 77 PHE HZ 5.000 . 6.000 4.908 4.465 5.215 . 0 0 "[ . 1 . 2]" 1
1048 1 28 PHE H 1 28 PHE QD 3.500 . 5.500 3.910 3.388 4.228 . 0 0 "[ . 1 . 2]" 1
1049 1 28 PHE QD 1 34 ILE MD 5.000 . 8.500 3.951 3.200 4.747 . 0 0 "[ . 1 . 2]" 1
1050 1 28 PHE QD 1 34 ILE HG13 3.500 . 5.500 4.579 3.766 5.279 . 0 0 "[ . 1 . 2]" 1
1051 1 34 ILE HG13 1 64 PHE QD 3.500 . 5.500 3.636 2.383 5.040 . 0 0 "[ . 1 . 2]" 1
1052 1 46 ASN QB 1 48 TYR QE 3.500 . 6.500 3.831 2.908 4.560 . 0 0 "[ . 1 . 2]" 1
1053 1 48 TYR HA 1 48 TYR QD 3.500 . 5.500 2.568 1.984 3.176 . 0 0 "[ . 1 . 2]" 1
1054 1 48 TYR HA 1 48 TYR QE 5.000 . 7.000 4.498 4.229 4.885 . 0 0 "[ . 1 . 2]" 1
1055 1 48 TYR QD 1 59 GLU QB 3.500 . 6.500 3.627 1.862 5.303 . 0 0 "[ . 1 . 2]" 1
1056 1 70 ALA MB 1 91 PHE QE 3.500 . 7.000 3.020 1.827 5.063 . 0 0 "[ . 1 . 2]" 1
1057 1 71 LYS HA 1 91 PHE QE 3.500 . 5.500 3.077 2.108 3.981 . 0 0 "[ . 1 . 2]" 1
1058 1 71 LYS QB 1 91 PHE QE 3.500 . 6.500 2.720 1.918 4.153 . 0 0 "[ . 1 . 2]" 1
1059 1 73 ALA MB 1 77 PHE QD 3.500 . 7.000 2.371 1.975 3.166 . 0 0 "[ . 1 . 2]" 1
1060 1 76 TRP HA 1 76 TRP HE3 5.000 . 5.000 4.828 4.179 5.172 0.172 20 0 "[ . 1 . 2]" 1
1061 1 76 TRP HE3 1 77 PHE QE 5.000 . 7.000 4.112 2.859 5.080 . 0 0 "[ . 1 . 2]" 1
1062 1 76 TRP HE3 1 77 PHE HZ 5.000 . 5.000 4.240 3.021 5.085 0.085 7 0 "[ . 1 . 2]" 1
1063 1 76 TRP H 1 77 PHE QD 5.000 . 7.000 4.011 3.041 4.736 . 0 0 "[ . 1 . 2]" 1
1064 1 77 PHE HA 1 77 PHE QD 3.500 . 5.500 2.834 2.201 3.150 . 0 0 "[ . 1 . 2]" 1
1065 1 82 PHE QD 1 83 SER QB 5.000 . 8.000 3.221 2.347 4.177 . 0 0 "[ . 1 . 2]" 1
1066 1 82 PHE QE 1 83 SER QB 5.000 . 8.000 4.611 3.242 5.744 . 0 0 "[ . 1 . 2]" 1
1067 1 82 PHE QE 1 85 ASN HD21 5.000 . 7.000 6.426 6.081 6.553 . 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 18
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 179.477
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0341
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0249
_Distance_constraint_stats_list.Viol_average_violations_only 0.0458
_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 11 PHE 1.425 0.114 16 0 "[ . 1 . 2]"
1 13 GLN 0.308 0.052 11 0 "[ . 1 . 2]"
1 20 THR 0.195 0.083 16 0 "[ . 1 . 2]"
1 21 ILE 0.666 0.059 7 0 "[ . 1 . 2]"
1 22 GLU 0.033 0.027 1 0 "[ . 1 . 2]"
1 23 SER 1.572 0.117 14 0 "[ . 1 . 2]"
1 24 VAL 0.565 0.083 16 0 "[ . 1 . 2]"
1 25 ALA 0.666 0.059 7 0 "[ . 1 . 2]"
1 26 ASP 0.033 0.027 1 0 "[ . 1 . 2]"
1 27 TYR 1.572 0.117 14 0 "[ . 1 . 2]"
1 28 PHE 0.370 0.053 14 0 "[ . 1 . 2]"
1 44 MET 1.878 0.161 13 0 "[ . 1 . 2]"
1 46 ASN 0.744 0.074 20 0 "[ . 1 . 2]"
1 48 TYR 0.117 0.035 10 0 "[ . 1 . 2]"
1 59 GLU 0.117 0.035 10 0 "[ . 1 . 2]"
1 61 THR 0.744 0.074 20 0 "[ . 1 . 2]"
1 63 SER 1.878 0.161 13 0 "[ . 1 . 2]"
1 68 PRO 0.010 0.008 7 0 "[ . 1 . 2]"
1 69 SER 0.058 0.022 3 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.073 0.025 6 0 "[ . 1 . 2]"
1 72 ALA 0.010 0.008 7 0 "[ . 1 . 2]"
1 73 ALA 0.090 0.031 12 0 "[ . 1 . 2]"
1 74 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ASP 0.073 0.025 6 0 "[ . 1 . 2]"
1 77 PHE 0.031 0.031 12 0 "[ . 1 . 2]"
1 82 PHE 1.494 0.114 2 0 "[ . 1 . 2]"
1 85 ASN 1.494 0.114 2 0 "[ . 1 . 2]"
1 88 LYS 0.308 0.052 11 0 "[ . 1 . 2]"
1 90 SER 1.425 0.114 16 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 20 THR O 1 24 VAL H 2.200 . 2.200 2.015 1.775 2.283 0.083 16 0 "[ . 1 . 2]" 2
2 1 21 ILE O 1 25 ALA H 2.200 . 2.200 1.767 1.741 1.798 0.059 7 0 "[ . 1 . 2]" 2
3 1 22 GLU O 1 26 ASP H 2.200 . 2.200 1.920 1.773 2.206 0.027 1 0 "[ . 1 . 2]" 2
4 1 23 SER O 1 27 TYR H 2.200 . 2.200 2.279 2.247 2.317 0.117 14 0 "[ . 1 . 2]" 2
5 1 24 VAL O 1 28 PHE H 2.200 . 2.200 1.858 1.747 2.161 0.053 14 0 "[ . 1 . 2]" 2
6 1 68 PRO O 1 72 ALA H 2.200 . 2.200 1.980 1.792 2.200 0.008 7 0 "[ . 1 . 2]" 2
7 1 69 SER O 1 73 ALA H 2.200 . 2.200 2.090 1.848 2.222 0.022 3 0 "[ . 1 . 2]" 2
8 1 70 ALA O 1 74 ILE H 2.200 . 2.200 2.099 1.894 2.181 . 0 0 "[ . 1 . 2]" 2
9 1 71 LYS O 1 75 ASP H 2.200 . 2.200 1.890 1.775 2.078 0.025 6 0 "[ . 1 . 2]" 2
10 1 73 ALA O 1 77 PHE H 2.200 . 2.200 1.967 1.769 2.175 0.031 12 0 "[ . 1 . 2]" 2
11 1 46 ASN O 1 61 THR H 2.200 . 2.200 1.800 1.738 1.936 0.062 1 0 "[ . 1 . 2]" 2
12 1 44 MET O 1 63 SER H 2.200 . 2.200 2.294 2.215 2.361 0.161 13 0 "[ . 1 . 2]" 2
13 1 46 ASN H 1 61 THR O 2.200 . 2.200 1.842 1.726 2.147 0.074 20 0 "[ . 1 . 2]" 2
14 1 48 TYR H 1 59 GLU O 2.200 . 2.200 2.063 1.800 2.235 0.035 10 0 "[ . 1 . 2]" 2
15 1 82 PHE H 1 85 ASN O 2.200 . 2.200 1.735 1.686 1.770 0.114 2 0 "[ . 1 . 2]" 2
16 1 82 PHE O 1 85 ASN H 2.200 . 2.200 2.174 2.010 2.242 0.042 17 0 "[ . 1 . 2]" 2
17 1 11 PHE O 1 90 SER H 2.200 . 2.200 2.271 2.227 2.314 0.114 16 0 "[ . 1 . 2]" 2
18 1 13 GLN O 1 88 LYS H 2.200 . 2.200 2.197 2.092 2.252 0.052 11 0 "[ . 1 . 2]" 2
stop_
save_
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