NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
438239 |
2k4h   |
16888 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k4h
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 792
_Distance_constraint_stats_list.Viol_count 1382
_Distance_constraint_stats_list.Viol_total 527.833
_Distance_constraint_stats_list.Viol_max 0.175
_Distance_constraint_stats_list.Viol_rms 0.0085
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0191
_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 6 VAL 0.164 0.021 18 0 "[ . 1 . 2]"
1 7 LEU 0.043 0.011 7 0 "[ . 1 . 2]"
1 8 ARG 0.102 0.027 14 0 "[ . 1 . 2]"
1 9 GLY 0.149 0.028 14 0 "[ . 1 . 2]"
1 10 LYS 0.009 0.003 20 0 "[ . 1 . 2]"
1 11 LYS 0.026 0.015 18 0 "[ . 1 . 2]"
1 12 ALA 0.411 0.046 3 0 "[ . 1 . 2]"
1 13 ASP 0.556 0.061 17 0 "[ . 1 . 2]"
1 14 GLU 0.360 0.061 17 0 "[ . 1 . 2]"
1 15 LEU 1.242 0.046 3 0 "[ . 1 . 2]"
1 16 GLU 0.178 0.043 20 0 "[ . 1 . 2]"
1 17 ARG 0.101 0.047 20 0 "[ . 1 . 2]"
1 18 ILE 0.536 0.042 13 0 "[ . 1 . 2]"
1 19 ARG 0.128 0.057 20 0 "[ . 1 . 2]"
1 20 LEU 0.066 0.016 3 0 "[ . 1 . 2]"
1 21 ARG 0.444 0.044 17 0 "[ . 1 . 2]"
1 22 PRO 0.673 0.069 20 0 "[ . 1 . 2]"
1 23 GLY 0.179 0.048 20 0 "[ . 1 . 2]"
1 24 GLY 0.193 0.167 20 0 "[ . 1 . 2]"
1 25 LYS 0.335 0.167 20 0 "[ . 1 . 2]"
1 26 LYS 0.261 0.167 20 0 "[ . 1 . 2]"
1 27 LYS 0.073 0.047 20 0 "[ . 1 . 2]"
1 28 TYR 0.906 0.045 17 0 "[ . 1 . 2]"
1 29 ARG 0.010 0.008 18 0 "[ . 1 . 2]"
1 30 LEU 0.133 0.025 13 0 "[ . 1 . 2]"
1 31 LYS 0.106 0.023 4 0 "[ . 1 . 2]"
1 32 HIS 0.449 0.044 7 0 "[ . 1 . 2]"
1 33 ILE 0.677 0.045 20 0 "[ . 1 . 2]"
1 34 VAL 0.147 0.023 4 0 "[ . 1 . 2]"
1 35 TRP 0.290 0.034 16 0 "[ . 1 . 2]"
1 36 ALA 0.483 0.054 10 0 "[ . 1 . 2]"
1 37 ALA 0.238 0.028 10 0 "[ . 1 . 2]"
1 38 ASN 0.167 0.034 16 0 "[ . 1 . 2]"
1 39 LYS 0.929 0.058 15 0 "[ . 1 . 2]"
1 40 LEU 1.449 0.139 11 0 "[ . 1 . 2]"
1 41 ASP 1.419 0.115 11 0 "[ . 1 . 2]"
1 42 ARG 0.506 0.058 15 0 "[ . 1 . 2]"
1 43 PHE 0.365 0.057 15 0 "[ . 1 . 2]"
1 44 GLY 0.003 0.002 11 0 "[ . 1 . 2]"
1 45 LEU 3.073 0.139 11 0 "[ . 1 . 2]"
1 46 ALA 0.479 0.057 11 0 "[ . 1 . 2]"
1 47 GLU 0.727 0.094 11 0 "[ . 1 . 2]"
1 48 SER 0.097 0.046 11 0 "[ . 1 . 2]"
1 49 LEU 0.346 0.143 12 0 "[ . 1 . 2]"
1 50 LEU 0.973 0.143 12 0 "[ . 1 . 2]"
1 51 GLU 0.214 0.046 11 0 "[ . 1 . 2]"
1 52 SER 0.127 0.024 19 0 "[ . 1 . 2]"
1 53 LYS 0.407 0.028 11 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.110 0.023 11 0 "[ . 1 . 2]"
1 56 CYS 0.060 0.011 19 0 "[ . 1 . 2]"
1 57 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 1.086 0.076 10 0 "[ . 1 . 2]"
1 59 ILE 0.227 0.025 17 0 "[ . 1 . 2]"
1 60 LEU 0.340 0.036 7 0 "[ . 1 . 2]"
1 61 THR 0.968 0.076 10 0 "[ . 1 . 2]"
1 62 VAL 0.185 0.022 11 0 "[ . 1 . 2]"
1 63 LEU 0.019 0.006 18 0 "[ . 1 . 2]"
1 64 ASP 0.123 0.029 19 0 "[ . 1 . 2]"
1 65 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 MET 0.725 0.103 18 0 "[ . 1 . 2]"
1 67 VAL 0.752 0.054 10 0 "[ . 1 . 2]"
1 68 PRO 0.081 0.039 19 0 "[ . 1 . 2]"
1 69 THR 0.139 0.057 11 0 "[ . 1 . 2]"
1 70 GLY 1.008 0.103 18 0 "[ . 1 . 2]"
1 71 SER 0.518 0.061 7 0 "[ . 1 . 2]"
1 72 GLU 0.341 0.037 13 0 "[ . 1 . 2]"
1 73 ASN 0.005 0.003 17 0 "[ . 1 . 2]"
1 74 LEU 0.684 0.057 15 0 "[ . 1 . 2]"
1 75 LYS 0.159 0.025 10 0 "[ . 1 . 2]"
1 76 SER 0.242 0.036 18 0 "[ . 1 . 2]"
1 77 LEU 0.271 0.045 7 0 "[ . 1 . 2]"
1 78 PHE 1.184 0.054 10 0 "[ . 1 . 2]"
1 79 ASN 0.631 0.051 19 0 "[ . 1 . 2]"
1 80 THR 0.542 0.035 7 0 "[ . 1 . 2]"
1 81 VAL 0.155 0.022 4 0 "[ . 1 . 2]"
1 82 CYS 0.242 0.027 17 0 "[ . 1 . 2]"
1 83 VAL 1.141 0.051 7 0 "[ . 1 . 2]"
1 84 ILE 1.188 0.084 14 0 "[ . 1 . 2]"
1 85 TRP 1.205 0.084 14 0 "[ . 1 . 2]"
1 86 CYS 0.413 0.048 2 0 "[ . 1 . 2]"
1 87 ILE 1.769 0.103 3 0 "[ . 1 . 2]"
1 88 HIS 0.933 0.103 3 0 "[ . 1 . 2]"
1 89 ALA 1.358 0.069 15 0 "[ . 1 . 2]"
1 90 GLU 0.722 0.175 18 0 "[ . 1 . 2]"
1 91 GLU 1.340 0.175 18 0 "[ . 1 . 2]"
1 92 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.675 0.083 10 0 "[ . 1 . 2]"
1 94 LYS 0.291 0.080 19 0 "[ . 1 . 2]"
1 95 ASP 2.128 0.107 17 0 "[ . 1 . 2]"
1 96 THR 1.691 0.160 12 0 "[ . 1 . 2]"
1 97 GLU 1.772 0.160 12 0 "[ . 1 . 2]"
1 98 GLY 0.505 0.070 12 0 "[ . 1 . 2]"
1 99 ALA 0.379 0.065 10 0 "[ . 1 . 2]"
1 100 LYS 0.621 0.086 12 0 "[ . 1 . 2]"
1 101 GLN 0.360 0.052 20 0 "[ . 1 . 2]"
1 102 ILE 0.182 0.030 17 0 "[ . 1 . 2]"
1 103 VAL 0.421 0.027 17 0 "[ . 1 . 2]"
1 104 ARG 0.134 0.019 17 0 "[ . 1 . 2]"
1 105 ARG 0.042 0.013 6 0 "[ . 1 . 2]"
1 106 HIS 0.036 0.015 12 0 "[ . 1 . 2]"
1 107 LEU 0.053 0.019 17 0 "[ . 1 . 2]"
1 108 VAL 0.013 0.006 13 0 "[ . 1 . 2]"
1 109 ALA 0.000 0.000 5 0 "[ . 1 . 2]"
1 110 GLU 0.001 0.001 13 0 "[ . 1 . 2]"
1 111 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 117 MET 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 GLY H 1 10 LYS H . . 2.900 2.736 2.524 2.890 . 0 0 "[ . 1 . 2]" 1
2 1 10 LYS H 1 11 LYS H . . 2.900 2.647 2.436 2.837 . 0 0 "[ . 1 . 2]" 1
3 1 11 LYS H 1 12 ALA H . . 2.900 2.626 2.476 2.813 . 0 0 "[ . 1 . 2]" 1
4 1 12 ALA H 1 13 ASP H . . 2.900 2.789 2.722 2.861 . 0 0 "[ . 1 . 2]" 1
5 1 13 ASP H 1 14 GLU H . . 2.900 2.833 2.625 2.961 0.061 17 0 "[ . 1 . 2]" 1
6 1 14 GLU H 1 15 LEU H . . 2.900 2.591 2.171 2.820 . 0 0 "[ . 1 . 2]" 1
7 1 15 LEU H 1 16 GLU H . . 2.900 2.646 2.497 2.763 . 0 0 "[ . 1 . 2]" 1
8 1 16 GLU H 1 17 ARG H . . 2.900 2.526 2.392 2.599 . 0 0 "[ . 1 . 2]" 1
9 1 17 ARG H 1 18 ILE H . . 2.900 2.410 2.304 2.477 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLY H 1 11 LYS H . . 5.000 3.738 3.400 4.265 . 0 0 "[ . 1 . 2]" 1
11 1 10 LYS H 1 12 ALA H . . 5.000 4.175 4.049 4.349 . 0 0 "[ . 1 . 2]" 1
12 1 11 LYS H 1 13 ASP H . . 5.000 4.203 4.123 4.329 . 0 0 "[ . 1 . 2]" 1
13 1 12 ALA H 1 14 GLU H . . 5.000 4.530 4.080 4.854 . 0 0 "[ . 1 . 2]" 1
14 1 13 ASP H 1 15 LEU H . . 5.000 4.049 3.870 4.313 . 0 0 "[ . 1 . 2]" 1
15 1 14 GLU H 1 16 GLU H . . 5.000 4.262 3.677 4.592 . 0 0 "[ . 1 . 2]" 1
16 1 16 GLU H 1 18 ILE H . . 5.000 4.458 4.274 4.642 . 0 0 "[ . 1 . 2]" 1
17 1 8 ARG H 1 11 LYS H . . 5.000 4.586 4.187 5.015 0.015 18 0 "[ . 1 . 2]" 1
18 1 12 ALA H 1 15 LEU H . . 5.000 4.825 4.636 5.003 0.003 6 0 "[ . 1 . 2]" 1
19 1 13 ASP H 1 16 GLU H . . 5.000 4.739 4.599 4.881 . 0 0 "[ . 1 . 2]" 1
20 1 15 LEU H 1 18 ILE H . . 5.000 4.961 4.817 5.040 0.040 6 0 "[ . 1 . 2]" 1
21 1 8 ARG HA 1 9 GLY H . . 2.700 2.647 2.481 2.727 0.027 14 0 "[ . 1 . 2]" 1
22 1 9 GLY HA3 1 10 LYS H . . 2.700 2.557 2.414 2.703 0.003 20 0 "[ . 1 . 2]" 1
23 1 12 ALA HA 1 14 GLU H . . 5.000 4.518 3.658 5.010 0.010 17 0 "[ . 1 . 2]" 1
24 1 13 ASP HA 1 15 LEU H . . 5.000 4.367 4.034 4.863 . 0 0 "[ . 1 . 2]" 1
25 1 14 GLU HA 1 16 GLU H . . 5.000 4.654 4.327 4.841 . 0 0 "[ . 1 . 2]" 1
26 1 15 LEU HA 1 17 ARG H . . 5.000 3.801 3.752 3.878 . 0 0 "[ . 1 . 2]" 1
27 1 16 GLU HA 1 18 ILE H . . 5.000 4.431 3.952 4.703 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLY HA2 1 12 ALA H . . 5.000 3.786 3.395 4.053 . 0 0 "[ . 1 . 2]" 1
29 1 10 LYS HA 1 13 ASP H . . 5.000 3.680 3.423 3.848 . 0 0 "[ . 1 . 2]" 1
30 1 11 LYS HA 1 14 GLU H . . 5.000 3.561 3.413 3.681 . 0 0 "[ . 1 . 2]" 1
31 1 12 ALA HA 1 15 LEU H . . 5.000 3.403 3.045 3.606 . 0 0 "[ . 1 . 2]" 1
32 1 13 ASP HA 1 16 GLU H . . 5.000 3.698 3.391 4.171 . 0 0 "[ . 1 . 2]" 1
33 1 14 GLU HA 1 17 ARG H . . 5.000 3.508 3.424 3.645 . 0 0 "[ . 1 . 2]" 1
34 1 15 LEU HA 1 18 ILE H . . 5.000 3.699 3.442 3.896 . 0 0 "[ . 1 . 2]" 1
35 1 8 ARG HA 1 12 ALA H . . 5.000 4.905 4.706 5.004 0.004 18 0 "[ . 1 . 2]" 1
36 1 9 GLY HA2 1 13 ASP H . . 5.000 4.817 4.178 5.028 0.028 14 0 "[ . 1 . 2]" 1
37 1 11 LYS HA 1 15 LEU H . . 5.000 4.414 4.051 4.710 . 0 0 "[ . 1 . 2]" 1
38 1 9 GLY HA2 1 12 ALA MB . . 3.300 2.877 2.425 3.290 . 0 0 "[ . 1 . 2]" 1
39 1 10 LYS HA 1 13 ASP QB . . 3.300 3.137 2.591 3.302 0.002 13 0 "[ . 1 . 2]" 1
40 1 11 LYS HA 1 14 GLU QB . . 3.300 3.046 2.778 3.239 . 0 0 "[ . 1 . 2]" 1
41 1 12 ALA HA 1 15 LEU HB2 . . 3.300 3.319 3.301 3.346 0.046 3 0 "[ . 1 . 2]" 1
42 1 12 ALA HA 1 15 LEU HB3 . . 3.300 2.635 2.324 3.008 . 0 0 "[ . 1 . 2]" 1
43 1 13 ASP HA 1 16 GLU QB . . 3.300 3.129 2.782 3.343 0.043 20 0 "[ . 1 . 2]" 1
44 1 18 ILE HA 1 19 ARG H . . 2.700 2.170 2.146 2.187 . 0 0 "[ . 1 . 2]" 1
45 1 19 ARG HA 1 20 LEU H . . 2.700 2.206 2.165 2.292 . 0 0 "[ . 1 . 2]" 1
46 1 20 LEU H 1 21 ARG H . . 2.700 2.662 2.428 2.716 0.016 3 0 "[ . 1 . 2]" 1
47 1 23 GLY H 1 24 GLY H . . 3.300 2.362 2.095 2.575 . 0 0 "[ . 1 . 2]" 1
48 1 24 GLY HA2 1 25 LYS H . . 2.700 2.620 2.535 2.867 0.167 20 0 "[ . 1 . 2]" 1
49 1 24 GLY HA3 1 25 LYS H . . 2.700 2.507 2.298 2.588 . 0 0 "[ . 1 . 2]" 1
50 1 25 LYS H 1 26 LYS H . . 2.700 2.066 1.897 2.867 0.167 20 0 "[ . 1 . 2]" 1
51 1 26 LYS HA 1 27 LYS H . . 2.700 2.220 2.153 2.303 . 0 0 "[ . 1 . 2]" 1
52 1 27 LYS HA 1 28 TYR H . . 2.700 2.362 2.241 2.482 . 0 0 "[ . 1 . 2]" 1
53 1 28 TYR HA 1 29 ARG H . . 2.700 2.236 2.208 2.278 . 0 0 "[ . 1 . 2]" 1
54 1 16 GLU HA 1 29 ARG HA . . 5.000 4.752 4.384 5.008 0.008 18 0 "[ . 1 . 2]" 1
55 1 19 ARG HA 1 27 LYS HA . . 2.700 2.225 1.965 2.514 . 0 0 "[ . 1 . 2]" 1
56 1 19 ARG QB 1 27 LYS HA . . 5.000 4.223 3.787 4.644 . 0 0 "[ . 1 . 2]" 1
57 1 16 GLU HA 1 28 TYR H . . 5.000 3.838 3.456 4.653 . 0 0 "[ . 1 . 2]" 1
58 1 19 ARG HA 1 28 TYR H . . 5.000 3.839 3.341 4.243 . 0 0 "[ . 1 . 2]" 1
59 1 20 LEU H 1 27 LYS HA . . 3.300 2.776 2.284 3.226 . 0 0 "[ . 1 . 2]" 1
60 1 21 ARG H 1 24 GLY HA3 . . 5.000 3.960 3.753 4.255 . 0 0 "[ . 1 . 2]" 1
61 1 22 PRO HA 1 24 GLY H . . 5.000 4.379 4.014 5.013 0.013 13 0 "[ . 1 . 2]" 1
62 1 18 ILE H 1 28 TYR H . . 5.000 4.747 4.426 5.002 0.002 10 0 "[ . 1 . 2]" 1
63 1 19 ARG H 1 96 THR H . . 5.000 4.093 3.706 4.359 . 0 0 "[ . 1 . 2]" 1
64 1 20 LEU H 1 26 LYS H . . 5.000 4.209 3.894 4.554 . 0 0 "[ . 1 . 2]" 1
65 1 21 ARG H 1 24 GLY H . . 5.000 4.052 3.875 4.516 . 0 0 "[ . 1 . 2]" 1
66 1 29 ARG H 1 30 LEU H . . 5.000 4.400 4.388 4.418 . 0 0 "[ . 1 . 2]" 1
67 1 30 LEU H 1 31 LYS H . . 2.900 2.804 2.757 2.847 . 0 0 "[ . 1 . 2]" 1
68 1 31 LYS H 1 32 HIS H . . 2.900 2.837 2.799 2.896 . 0 0 "[ . 1 . 2]" 1
69 1 32 HIS H 1 33 ILE H . . 2.900 2.633 2.478 2.717 . 0 0 "[ . 1 . 2]" 1
70 1 33 ILE H 1 34 VAL H . . 2.900 2.559 2.517 2.620 . 0 0 "[ . 1 . 2]" 1
71 1 34 VAL H 1 35 TRP H . . 2.900 2.778 2.628 2.917 0.017 7 0 "[ . 1 . 2]" 1
72 1 35 TRP H 1 36 ALA H . . 2.900 2.651 2.503 2.753 . 0 0 "[ . 1 . 2]" 1
73 1 36 ALA H 1 37 ALA H . . 2.900 2.626 2.497 2.818 . 0 0 "[ . 1 . 2]" 1
74 1 37 ALA H 1 38 ASN H . . 2.900 2.738 2.634 2.812 . 0 0 "[ . 1 . 2]" 1
75 1 38 ASN H 1 39 LYS H . . 2.900 2.716 2.607 2.819 . 0 0 "[ . 1 . 2]" 1
76 1 39 LYS H 1 40 LEU H . . 2.900 2.558 2.476 2.636 . 0 0 "[ . 1 . 2]" 1
77 1 40 LEU H 1 41 ASP H . . 2.900 2.769 2.671 2.906 0.006 17 0 "[ . 1 . 2]" 1
78 1 41 ASP H 1 42 ARG H . . 2.900 2.721 2.598 2.901 0.001 7 0 "[ . 1 . 2]" 1
79 1 42 ARG H 1 43 PHE H . . 2.900 2.776 2.673 2.910 0.010 17 0 "[ . 1 . 2]" 1
80 1 43 PHE H 1 44 GLY H . . 2.900 2.505 2.199 2.900 0.000 6 0 "[ . 1 . 2]" 1
81 1 44 GLY H 1 45 LEU H . . 2.900 2.362 1.806 2.665 . 0 0 "[ . 1 . 2]" 1
82 1 30 LEU H 1 32 HIS H . . 5.000 4.533 4.415 4.646 . 0 0 "[ . 1 . 2]" 1
83 1 31 LYS H 1 33 ILE H . . 5.000 4.119 4.051 4.194 . 0 0 "[ . 1 . 2]" 1
84 1 32 HIS H 1 34 VAL H . . 5.000 4.262 4.134 4.366 . 0 0 "[ . 1 . 2]" 1
85 1 33 ILE H 1 35 TRP H . . 5.000 4.321 4.134 4.513 . 0 0 "[ . 1 . 2]" 1
86 1 34 VAL H 1 36 ALA H . . 5.000 3.940 3.841 4.109 . 0 0 "[ . 1 . 2]" 1
87 1 35 TRP H 1 37 ALA H . . 5.000 4.485 4.287 4.651 . 0 0 "[ . 1 . 2]" 1
88 1 36 ALA H 1 38 ASN H . . 5.000 3.964 3.797 4.189 . 0 0 "[ . 1 . 2]" 1
89 1 37 ALA H 1 39 LYS H . . 5.000 4.203 4.028 4.361 . 0 0 "[ . 1 . 2]" 1
90 1 38 ASN H 1 40 LEU H . . 5.000 4.290 4.055 4.405 . 0 0 "[ . 1 . 2]" 1
91 1 39 LYS H 1 41 ASP H . . 5.000 4.112 3.830 4.633 . 0 0 "[ . 1 . 2]" 1
92 1 40 LEU H 1 42 ARG H . . 5.000 4.466 4.085 4.689 . 0 0 "[ . 1 . 2]" 1
93 1 41 ASP H 1 43 PHE H . . 5.000 4.094 3.804 4.770 . 0 0 "[ . 1 . 2]" 1
94 1 42 ARG H 1 44 GLY H . . 5.000 4.267 3.916 4.448 . 0 0 "[ . 1 . 2]" 1
95 1 43 PHE H 1 45 LEU H . . 5.000 4.440 4.249 4.708 . 0 0 "[ . 1 . 2]" 1
96 1 29 ARG H 1 32 HIS H . . 5.000 3.240 3.128 3.296 . 0 0 "[ . 1 . 2]" 1
97 1 30 LEU H 1 33 ILE H . . 5.000 4.975 4.860 5.025 0.025 13 0 "[ . 1 . 2]" 1
98 1 31 LYS H 1 34 VAL H . . 5.000 4.928 4.851 4.992 . 0 0 "[ . 1 . 2]" 1
99 1 34 VAL H 1 37 ALA H . . 5.000 4.820 4.629 5.010 0.010 17 0 "[ . 1 . 2]" 1
100 1 35 TRP H 1 38 ASN H . . 5.000 4.935 4.703 5.034 0.034 16 0 "[ . 1 . 2]" 1
101 1 36 ALA H 1 39 LYS H . . 5.000 4.937 4.566 5.054 0.054 10 0 "[ . 1 . 2]" 1
102 1 37 ALA H 1 40 LEU H . . 5.000 4.932 4.776 5.028 0.028 10 0 "[ . 1 . 2]" 1
103 1 39 LYS H 1 42 ARG H . . 5.000 5.013 4.882 5.058 0.058 15 0 "[ . 1 . 2]" 1
104 1 29 ARG HA 1 30 LEU H . . 2.700 2.451 2.372 2.497 . 0 0 "[ . 1 . 2]" 1
105 1 37 ALA HA 1 39 LYS H . . 5.000 4.060 3.915 4.339 . 0 0 "[ . 1 . 2]" 1
106 1 38 ASN HA 1 40 LEU H . . 5.000 4.541 4.333 4.744 . 0 0 "[ . 1 . 2]" 1
107 1 42 ARG HA 1 44 GLY H . . 5.000 4.720 4.158 5.002 0.002 11 0 "[ . 1 . 2]" 1
108 1 30 LEU HA 1 33 ILE H . . 5.000 3.096 2.934 3.188 . 0 0 "[ . 1 . 2]" 1
109 1 31 LYS HA 1 34 VAL H . . 5.000 3.721 3.622 3.949 . 0 0 "[ . 1 . 2]" 1
110 1 32 HIS HA 1 35 TRP H . . 5.000 3.673 3.425 3.890 . 0 0 "[ . 1 . 2]" 1
111 1 33 ILE HA 1 36 ALA H . . 5.000 3.485 3.288 3.633 . 0 0 "[ . 1 . 2]" 1
112 1 34 VAL HA 1 37 ALA H . . 5.000 3.578 3.380 3.827 . 0 0 "[ . 1 . 2]" 1
113 1 35 TRP HA 1 38 ASN H . . 5.000 3.737 3.483 3.887 . 0 0 "[ . 1 . 2]" 1
114 1 36 ALA HA 1 39 LYS H . . 5.000 3.609 3.490 3.785 . 0 0 "[ . 1 . 2]" 1
115 1 37 ALA HA 1 40 LEU H . . 5.000 3.270 3.126 3.416 . 0 0 "[ . 1 . 2]" 1
116 1 38 ASN HA 1 41 ASP H . . 5.000 3.783 3.537 4.034 . 0 0 "[ . 1 . 2]" 1
117 1 39 LYS HA 1 42 ARG H . . 5.000 3.474 3.260 3.744 . 0 0 "[ . 1 . 2]" 1
118 1 40 LEU HA 1 43 PHE H . . 5.000 3.747 3.628 3.923 . 0 0 "[ . 1 . 2]" 1
119 1 41 ASP HA 1 44 GLY H . . 5.000 3.458 3.093 3.952 . 0 0 "[ . 1 . 2]" 1
120 1 31 LYS HA 1 35 TRP H . . 5.000 4.472 4.296 4.645 . 0 0 "[ . 1 . 2]" 1
121 1 32 HIS HA 1 36 ALA H . . 5.000 4.415 4.093 4.627 . 0 0 "[ . 1 . 2]" 1
122 1 30 LEU HA 1 33 ILE HB . . 3.300 2.941 2.732 3.106 . 0 0 "[ . 1 . 2]" 1
123 1 31 LYS HA 1 34 VAL HB . . 3.300 3.295 3.237 3.323 0.023 4 0 "[ . 1 . 2]" 1
124 1 32 HIS HA 1 35 TRP QB . . 3.300 2.998 2.807 3.157 . 0 0 "[ . 1 . 2]" 1
125 1 33 ILE HA 1 36 ALA MB . . 3.300 2.475 2.302 2.703 . 0 0 "[ . 1 . 2]" 1
126 1 34 VAL HA 1 37 ALA MB . . 3.300 2.964 2.597 3.305 0.005 12 0 "[ . 1 . 2]" 1
127 1 35 TRP HA 1 38 ASN QB . . 3.300 2.782 2.376 3.060 . 0 0 "[ . 1 . 2]" 1
128 1 36 ALA HA 1 39 LYS QB . . 3.300 3.073 2.734 3.301 0.001 14 0 "[ . 1 . 2]" 1
129 1 37 ALA HA 1 40 LEU QB . . 5.000 2.775 2.565 3.032 . 0 0 "[ . 1 . 2]" 1
130 1 38 ASN HA 1 41 ASP QB . . 3.300 3.045 2.687 3.278 . 0 0 "[ . 1 . 2]" 1
131 1 39 LYS HA 1 42 ARG QB . . 3.300 2.876 2.579 3.204 . 0 0 "[ . 1 . 2]" 1
132 1 40 LEU HA 1 43 PHE HB2 . . 5.000 2.889 2.370 3.160 . 0 0 "[ . 1 . 2]" 1
133 1 41 ASP HA 1 45 LEU H . . 5.000 4.780 4.177 5.115 0.115 11 0 "[ . 1 . 2]" 1
134 1 44 GLY QA 1 45 LEU H . . 3.300 2.771 2.646 2.917 . 0 0 "[ . 1 . 2]" 1
135 1 45 LEU HA 1 46 ALA H . . 2.700 2.291 2.162 2.484 . 0 0 "[ . 1 . 2]" 1
136 1 46 ALA H 1 47 GLU H . . 5.000 4.578 4.528 4.623 . 0 0 "[ . 1 . 2]" 1
137 1 46 ALA HA 1 47 GLU H . . 2.700 2.301 2.171 2.506 . 0 0 "[ . 1 . 2]" 1
138 1 47 GLU H 1 48 SER H . . 2.700 2.413 2.022 2.594 . 0 0 "[ . 1 . 2]" 1
139 1 48 SER H 1 49 LEU H . . 2.700 2.599 2.561 2.697 . 0 0 "[ . 1 . 2]" 1
140 1 49 LEU H 1 50 LEU H . . 2.700 2.560 2.411 2.843 0.143 12 0 "[ . 1 . 2]" 1
141 1 50 LEU H 1 51 GLU H . . 2.700 2.423 1.869 2.586 . 0 0 "[ . 1 . 2]" 1
142 1 51 GLU H 1 52 SER H . . 2.700 2.601 2.062 2.724 0.024 19 0 "[ . 1 . 2]" 1
143 1 48 SER H 1 50 LEU H . . 5.000 4.317 4.233 4.570 . 0 0 "[ . 1 . 2]" 1
144 1 49 LEU H 1 51 GLU H . . 5.000 4.380 4.084 4.571 . 0 0 "[ . 1 . 2]" 1
145 1 50 LEU H 1 52 SER H . . 5.000 4.453 3.390 4.853 . 0 0 "[ . 1 . 2]" 1
146 1 51 GLU HA 1 52 SER H . . 5.000 2.930 2.798 3.419 . 0 0 "[ . 1 . 2]" 1
147 1 47 GLU HA 1 49 LEU H . . 5.000 3.410 3.211 3.533 . 0 0 "[ . 1 . 2]" 1
148 1 49 LEU HA 1 52 SER H . . 5.000 4.215 3.585 4.556 . 0 0 "[ . 1 . 2]" 1
149 1 53 LYS H 1 54 GLU H . . 2.900 2.791 2.300 2.891 . 0 0 "[ . 1 . 2]" 1
150 1 54 GLU H 1 55 GLY H . . 2.900 2.761 2.560 2.888 . 0 0 "[ . 1 . 2]" 1
151 1 55 GLY H 1 56 CYS H . . 2.900 2.664 2.538 2.787 . 0 0 "[ . 1 . 2]" 1
152 1 56 CYS H 1 57 GLN H . . 2.900 2.631 2.519 2.727 . 0 0 "[ . 1 . 2]" 1
153 1 57 GLN H 1 58 LYS H . . 2.900 2.647 2.466 2.755 . 0 0 "[ . 1 . 2]" 1
154 1 58 LYS H 1 59 ILE H . . 2.900 2.521 2.426 2.576 . 0 0 "[ . 1 . 2]" 1
155 1 59 ILE H 1 60 LEU H . . 2.900 2.434 2.353 2.500 . 0 0 "[ . 1 . 2]" 1
156 1 60 LEU H 1 61 THR H . . 2.900 2.663 2.606 2.705 . 0 0 "[ . 1 . 2]" 1
157 1 61 THR H 1 62 VAL H . . 2.900 2.593 2.532 2.635 . 0 0 "[ . 1 . 2]" 1
158 1 62 VAL H 1 63 LEU H . . 2.900 2.373 2.225 2.464 . 0 0 "[ . 1 . 2]" 1
159 1 63 LEU H 1 64 ASP H . . 2.900 2.407 2.297 2.519 . 0 0 "[ . 1 . 2]" 1
160 1 53 LYS H 1 55 GLY H . . 5.000 4.126 3.765 4.406 . 0 0 "[ . 1 . 2]" 1
161 1 54 GLU H 1 56 CYS H . . 5.000 4.379 4.261 4.549 . 0 0 "[ . 1 . 2]" 1
162 1 55 GLY H 1 57 GLN H . . 5.000 3.956 3.795 4.145 . 0 0 "[ . 1 . 2]" 1
163 1 56 CYS H 1 58 LYS H . . 5.000 4.265 4.135 4.398 . 0 0 "[ . 1 . 2]" 1
164 1 57 GLN H 1 59 ILE H . . 5.000 3.948 3.834 4.083 . 0 0 "[ . 1 . 2]" 1
165 1 58 LYS H 1 60 LEU H . . 5.000 4.306 4.234 4.377 . 0 0 "[ . 1 . 2]" 1
166 1 59 ILE H 1 61 THR H . . 5.000 3.916 3.698 4.082 . 0 0 "[ . 1 . 2]" 1
167 1 60 LEU H 1 62 VAL H . . 5.000 4.075 3.980 4.207 . 0 0 "[ . 1 . 2]" 1
168 1 61 THR H 1 63 LEU H . . 5.000 4.108 3.969 4.263 . 0 0 "[ . 1 . 2]" 1
169 1 62 VAL H 1 64 ASP H . . 5.000 3.661 3.521 3.786 . 0 0 "[ . 1 . 2]" 1
170 1 52 SER H 1 55 GLY H . . 5.000 4.564 4.331 4.941 . 0 0 "[ . 1 . 2]" 1
171 1 52 SER H 1 56 CYS H . . 5.000 4.015 3.651 4.467 . 0 0 "[ . 1 . 2]" 1
172 1 52 SER HA 1 53 LYS H . . 2.700 2.198 2.138 2.521 . 0 0 "[ . 1 . 2]" 1
173 1 52 SER HA 1 55 GLY H . . 5.000 4.500 4.135 5.003 0.003 11 0 "[ . 1 . 2]" 1
174 1 53 LYS HA 1 56 CYS H . . 5.000 3.512 3.405 3.724 . 0 0 "[ . 1 . 2]" 1
175 1 54 GLU HA 1 57 GLN H . . 5.000 3.684 3.492 3.843 . 0 0 "[ . 1 . 2]" 1
176 1 55 GLY HA2 1 58 LYS H . . 5.000 3.587 3.366 3.783 . 0 0 "[ . 1 . 2]" 1
177 1 56 CYS HA 1 59 ILE H . . 5.000 3.366 3.268 3.562 . 0 0 "[ . 1 . 2]" 1
178 1 57 GLN HA 1 60 LEU H . . 5.000 3.442 3.348 3.516 . 0 0 "[ . 1 . 2]" 1
179 1 58 LYS HA 1 61 THR H . . 5.000 3.681 3.602 3.770 . 0 0 "[ . 1 . 2]" 1
180 1 59 ILE HA 1 62 VAL H . . 5.000 3.453 3.402 3.529 . 0 0 "[ . 1 . 2]" 1
181 1 60 LEU HA 1 63 LEU H . . 5.000 3.311 3.188 3.457 . 0 0 "[ . 1 . 2]" 1
182 1 61 THR HA 1 64 ASP H . . 5.000 3.641 3.508 3.988 . 0 0 "[ . 1 . 2]" 1
183 1 57 GLN HA 1 61 THR H . . 5.000 4.459 4.227 4.632 . 0 0 "[ . 1 . 2]" 1
184 1 58 LYS HA 1 62 VAL H . . 5.000 4.738 4.455 5.018 0.018 1 0 "[ . 1 . 2]" 1
185 1 54 GLU HA 1 57 GLN QB . . 3.300 2.810 2.519 3.103 . 0 0 "[ . 1 . 2]" 1
186 1 55 GLY HA2 1 58 LYS QB . . 3.300 3.119 2.694 3.312 0.012 18 0 "[ . 1 . 2]" 1
187 1 56 CYS HA 1 59 ILE HB . . 5.000 3.042 2.589 3.747 . 0 0 "[ . 1 . 2]" 1
188 1 57 GLN HA 1 60 LEU HB3 . . 5.000 4.716 4.470 4.945 . 0 0 "[ . 1 . 2]" 1
189 1 59 ILE HA 1 62 VAL HB . . 3.300 3.004 2.723 3.320 0.020 6 0 "[ . 1 . 2]" 1
190 1 60 LEU HA 1 63 LEU HB3 . . 5.000 4.329 3.989 4.548 . 0 0 "[ . 1 . 2]" 1
191 1 61 THR HA 1 64 ASP HB2 . . 5.000 2.937 2.432 4.104 . 0 0 "[ . 1 . 2]" 1
192 1 66 MET H 1 67 VAL H . . 2.900 2.416 2.246 2.487 . 0 0 "[ . 1 . 2]" 1
193 1 69 THR H 1 70 GLY H . . 2.900 2.625 2.352 2.957 0.057 11 0 "[ . 1 . 2]" 1
194 1 67 VAL H 1 69 THR H . . 5.000 3.777 3.702 3.868 . 0 0 "[ . 1 . 2]" 1
195 1 70 GLY HA2 1 71 SER H . . 2.700 2.634 2.531 2.761 0.061 7 0 "[ . 1 . 2]" 1
196 1 70 GLY HA3 1 71 SER H . . 3.300 2.495 2.382 2.593 . 0 0 "[ . 1 . 2]" 1
197 1 64 ASP HA 1 66 MET H . . 5.000 4.063 3.904 4.179 . 0 0 "[ . 1 . 2]" 1
198 1 65 PRO HA 1 67 VAL H . . 5.000 3.835 3.597 4.014 . 0 0 "[ . 1 . 2]" 1
199 1 67 VAL HA 1 69 THR H . . 5.000 3.758 3.690 3.871 . 0 0 "[ . 1 . 2]" 1
200 1 63 LEU HA 1 66 MET H . . 5.000 3.220 3.153 3.313 . 0 0 "[ . 1 . 2]" 1
201 1 64 ASP HA 1 67 VAL H . . 5.000 3.946 3.786 4.138 . 0 0 "[ . 1 . 2]" 1
202 1 66 MET HA 1 69 THR H . . 5.000 3.461 3.393 3.547 . 0 0 "[ . 1 . 2]" 1
203 1 67 VAL HA 1 70 GLY H . . 5.000 4.295 4.030 4.651 . 0 0 "[ . 1 . 2]" 1
204 1 66 MET HA 1 70 GLY H . . 5.000 5.016 4.874 5.103 0.103 18 0 "[ . 1 . 2]" 1
205 1 72 GLU H 1 73 ASN H . . 2.900 2.670 2.419 2.887 . 0 0 "[ . 1 . 2]" 1
206 1 73 ASN H 1 74 LEU H . . 2.900 2.705 2.615 2.896 . 0 0 "[ . 1 . 2]" 1
207 1 74 LEU H 1 75 LYS H . . 2.900 2.480 2.256 2.848 . 0 0 "[ . 1 . 2]" 1
208 1 75 LYS H 1 76 SER H . . 2.900 2.740 2.625 2.794 . 0 0 "[ . 1 . 2]" 1
209 1 76 SER H 1 77 LEU H . . 2.900 2.696 2.490 2.837 . 0 0 "[ . 1 . 2]" 1
210 1 77 LEU H 1 78 PHE H . . 2.900 2.639 2.465 2.776 . 0 0 "[ . 1 . 2]" 1
211 1 78 PHE H 1 79 ASN H . . 2.900 2.773 2.581 2.870 . 0 0 "[ . 1 . 2]" 1
212 1 79 ASN H 1 80 THR H . . 2.900 2.527 2.423 2.788 . 0 0 "[ . 1 . 2]" 1
213 1 80 THR H 1 81 VAL H . . 2.900 2.573 2.299 2.744 . 0 0 "[ . 1 . 2]" 1
214 1 81 VAL H 1 82 CYS H . . 2.900 2.670 2.522 2.915 0.015 10 0 "[ . 1 . 2]" 1
215 1 82 CYS H 1 83 VAL H . . 2.900 2.619 2.528 2.913 0.013 18 0 "[ . 1 . 2]" 1
216 1 83 VAL H 1 84 ILE H . . 2.900 2.562 2.341 2.803 . 0 0 "[ . 1 . 2]" 1
217 1 84 ILE H 1 85 TRP H . . 2.900 2.833 2.673 2.984 0.084 14 0 "[ . 1 . 2]" 1
218 1 85 TRP H 1 86 CYS H . . 2.900 2.824 2.691 2.907 0.007 15 0 "[ . 1 . 2]" 1
219 1 86 CYS H 1 87 ILE H . . 2.900 2.905 2.845 2.940 0.040 10 0 "[ . 1 . 2]" 1
220 1 87 ILE H 1 88 HIS H . . 2.900 2.813 2.777 2.872 . 0 0 "[ . 1 . 2]" 1
221 1 88 HIS H 1 89 ALA H . . 2.900 2.529 2.439 2.580 . 0 0 "[ . 1 . 2]" 1
222 1 89 ALA H 1 90 GLU H . . 2.900 2.662 2.595 2.799 . 0 0 "[ . 1 . 2]" 1
223 1 74 LEU H 1 76 SER H . . 5.000 3.858 3.531 4.377 . 0 0 "[ . 1 . 2]" 1
224 1 75 LYS H 1 77 LEU H . . 5.000 4.393 4.227 4.471 . 0 0 "[ . 1 . 2]" 1
225 1 76 SER H 1 78 PHE H . . 5.000 4.180 3.952 4.345 . 0 0 "[ . 1 . 2]" 1
226 1 77 LEU H 1 79 ASN H . . 5.000 4.150 3.995 4.266 . 0 0 "[ . 1 . 2]" 1
227 1 78 PHE H 1 80 THR H . . 5.000 4.141 3.919 4.443 . 0 0 "[ . 1 . 2]" 1
228 1 79 ASN H 1 81 VAL H . . 5.000 4.133 4.025 4.331 . 0 0 "[ . 1 . 2]" 1
229 1 80 THR H 1 82 CYS H . . 5.000 4.004 3.739 4.516 . 0 0 "[ . 1 . 2]" 1
230 1 81 VAL H 1 83 VAL H . . 5.000 4.225 4.032 4.548 . 0 0 "[ . 1 . 2]" 1
231 1 82 CYS H 1 84 ILE H . . 5.000 4.285 4.027 4.684 . 0 0 "[ . 1 . 2]" 1
232 1 83 VAL H 1 85 TRP H . . 5.000 4.223 3.810 4.530 . 0 0 "[ . 1 . 2]" 1
233 1 84 ILE H 1 86 CYS H . . 5.000 4.274 4.089 4.571 . 0 0 "[ . 1 . 2]" 1
234 1 85 TRP H 1 87 ILE H . . 5.000 4.485 4.280 4.669 . 0 0 "[ . 1 . 2]" 1
235 1 86 CYS H 1 88 HIS H . . 5.000 4.164 4.109 4.236 . 0 0 "[ . 1 . 2]" 1
236 1 87 ILE H 1 89 ALA H . . 5.000 4.220 4.186 4.290 . 0 0 "[ . 1 . 2]" 1
237 1 88 HIS H 1 90 GLU H . . 5.000 3.977 3.775 4.126 . 0 0 "[ . 1 . 2]" 1
238 1 89 ALA H 1 91 GLU H . . 5.000 3.496 3.209 4.003 . 0 0 "[ . 1 . 2]" 1
239 1 71 SER H 1 74 LEU H . . 5.000 3.501 2.966 4.199 . 0 0 "[ . 1 . 2]" 1
240 1 72 GLU H 1 75 LYS H . . 5.000 4.849 4.626 5.025 0.025 10 0 "[ . 1 . 2]" 1
241 1 74 LEU H 1 77 LEU H . . 5.000 4.984 4.827 5.045 0.045 7 0 "[ . 1 . 2]" 1
242 1 75 LYS H 1 78 PHE H . . 5.000 4.928 4.664 5.022 0.022 4 0 "[ . 1 . 2]" 1
243 1 76 SER H 1 79 ASN H . . 5.000 4.953 4.774 5.036 0.036 18 0 "[ . 1 . 2]" 1
244 1 71 SER HA 1 72 GLU H . . 2.700 2.677 2.516 2.737 0.037 13 0 "[ . 1 . 2]" 1
245 1 71 SER HB2 1 73 ASN H . . 5.000 3.696 3.231 4.030 . 0 0 "[ . 1 . 2]" 1
246 1 72 GLU HA 1 75 LYS H . . 5.000 3.338 3.004 3.784 . 0 0 "[ . 1 . 2]" 1
247 1 73 ASN HA 1 76 SER H . . 5.000 3.873 3.386 4.246 . 0 0 "[ . 1 . 2]" 1
248 1 74 LEU HA 1 77 LEU H . . 5.000 3.442 3.158 3.635 . 0 0 "[ . 1 . 2]" 1
249 1 75 LYS HA 1 78 PHE H . . 5.000 3.431 3.248 3.735 . 0 0 "[ . 1 . 2]" 1
250 1 76 SER HA 1 79 ASN H . . 5.000 3.719 3.514 3.908 . 0 0 "[ . 1 . 2]" 1
251 1 77 LEU HA 1 80 THR H . . 5.000 3.256 3.131 3.538 . 0 0 "[ . 1 . 2]" 1
252 1 78 PHE HA 1 81 VAL H . . 5.000 3.644 3.441 3.946 . 0 0 "[ . 1 . 2]" 1
253 1 79 ASN HA 1 82 CYS H . . 5.000 3.644 3.406 3.756 . 0 0 "[ . 1 . 2]" 1
254 1 80 THR HA 1 83 VAL H . . 5.000 3.483 3.363 3.590 . 0 0 "[ . 1 . 2]" 1
255 1 81 VAL HA 1 84 ILE H . . 5.000 3.425 3.192 3.792 . 0 0 "[ . 1 . 2]" 1
256 1 82 CYS HA 1 85 TRP H . . 5.000 3.951 3.571 4.131 . 0 0 "[ . 1 . 2]" 1
257 1 83 VAL HA 1 86 CYS H . . 5.000 3.645 3.334 3.878 . 0 0 "[ . 1 . 2]" 1
258 1 84 ILE HA 1 87 ILE H . . 5.000 3.681 3.580 3.788 . 0 0 "[ . 1 . 2]" 1
259 1 85 TRP HA 1 88 HIS H . . 5.000 3.516 3.457 3.627 . 0 0 "[ . 1 . 2]" 1
260 1 86 CYS HA 1 89 ALA H . . 5.000 3.144 3.052 3.237 . 0 0 "[ . 1 . 2]" 1
261 1 87 ILE HA 1 90 GLU H . . 5.000 4.016 3.879 4.219 . 0 0 "[ . 1 . 2]" 1
262 1 74 LEU HA 1 78 PHE H . . 5.000 4.446 4.001 4.712 . 0 0 "[ . 1 . 2]" 1
263 1 75 LYS HA 1 79 ASN H . . 5.000 4.366 4.027 4.785 . 0 0 "[ . 1 . 2]" 1
264 1 79 ASN HA 1 83 VAL H . . 5.000 4.994 4.821 5.051 0.051 19 0 "[ . 1 . 2]" 1
265 1 80 THR HA 1 84 ILE H . . 5.000 4.500 4.270 4.850 . 0 0 "[ . 1 . 2]" 1
266 1 81 VAL HA 1 85 TRP H . . 5.000 3.953 3.721 4.184 . 0 0 "[ . 1 . 2]" 1
267 1 84 ILE HA 1 88 HIS H . . 5.000 4.809 4.663 4.980 . 0 0 "[ . 1 . 2]" 1
268 1 85 TRP HA 1 89 ALA H . . 5.000 4.427 4.185 4.561 . 0 0 "[ . 1 . 2]" 1
269 1 72 GLU HA 1 75 LYS QB . . 3.300 2.579 2.312 3.286 . 0 0 "[ . 1 . 2]" 1
270 1 73 ASN HA 1 76 SER QB . . 3.300 3.056 2.792 3.303 0.003 17 0 "[ . 1 . 2]" 1
271 1 74 LEU HA 1 77 LEU QB . . 3.300 3.079 2.735 3.310 0.010 8 0 "[ . 1 . 2]" 1
272 1 75 LYS HA 1 78 PHE QB . . 3.300 2.677 2.324 2.982 . 0 0 "[ . 1 . 2]" 1
273 1 76 SER HA 1 79 ASN QB . . 3.300 3.064 2.714 3.303 0.003 6 0 "[ . 1 . 2]" 1
274 1 77 LEU HA 1 80 THR HB . . 3.300 2.671 2.491 2.989 . 0 0 "[ . 1 . 2]" 1
275 1 78 PHE HA 1 81 VAL HB . . 3.300 3.094 2.799 3.247 . 0 0 "[ . 1 . 2]" 1
276 1 79 ASN HA 1 82 CYS QB . . 3.300 3.058 2.676 3.323 0.023 1 0 "[ . 1 . 2]" 1
277 1 80 THR HA 1 83 VAL HB . . 3.300 3.300 3.163 3.335 0.035 7 0 "[ . 1 . 2]" 1
278 1 81 VAL HA 1 84 ILE HB . . 3.300 2.893 2.639 3.102 . 0 0 "[ . 1 . 2]" 1
279 1 82 CYS HA 1 85 TRP QB . . 3.300 3.118 2.704 3.298 . 0 0 "[ . 1 . 2]" 1
280 1 83 VAL HA 1 86 CYS QB . . 3.300 2.705 2.555 2.833 . 0 0 "[ . 1 . 2]" 1
281 1 84 ILE HA 1 87 ILE HB . . 3.300 3.294 3.259 3.337 0.037 11 0 "[ . 1 . 2]" 1
282 1 85 TRP HA 1 88 HIS QB . . 3.300 2.981 2.747 3.135 . 0 0 "[ . 1 . 2]" 1
283 1 86 CYS HA 1 89 ALA MB . . 2.700 2.665 2.448 2.748 0.048 2 0 "[ . 1 . 2]" 1
284 1 90 GLU H 1 91 GLU H . . 2.700 2.663 2.544 2.875 0.175 18 0 "[ . 1 . 2]" 1
285 1 91 GLU HA 1 92 LYS H . . 2.700 2.162 2.139 2.209 . 0 0 "[ . 1 . 2]" 1
286 1 92 LYS HA 1 93 VAL H . . 2.700 2.166 2.147 2.207 . 0 0 "[ . 1 . 2]" 1
287 1 93 VAL HA 1 94 LYS H . . 2.700 2.290 2.162 2.703 0.003 1 0 "[ . 1 . 2]" 1
288 1 94 LYS H 1 95 ASP H . . 2.700 2.530 2.099 2.780 0.080 19 0 "[ . 1 . 2]" 1
289 1 18 ILE HA 1 94 LYS HA . . 5.000 3.911 3.446 4.275 . 0 0 "[ . 1 . 2]" 1
290 1 93 VAL HA 1 95 ASP H . . 5.000 4.366 4.105 4.768 . 0 0 "[ . 1 . 2]" 1
291 1 95 ASP HA 1 96 THR H . . 2.700 2.331 2.275 2.407 . 0 0 "[ . 1 . 2]" 1
292 1 19 ARG H 1 95 ASP HA . . 2.700 2.562 2.355 2.713 0.013 1 0 "[ . 1 . 2]" 1
293 1 20 LEU HA 1 96 THR H . . 5.000 3.671 3.506 3.989 . 0 0 "[ . 1 . 2]" 1
294 1 22 PRO HD3 1 96 THR H . . 5.000 4.838 4.429 5.011 0.011 18 0 "[ . 1 . 2]" 1
295 1 19 ARG H 1 95 ASP H . . 5.000 4.862 4.537 5.057 0.057 20 0 "[ . 1 . 2]" 1
296 1 96 THR H 1 97 GLU H . . 2.900 2.945 2.751 3.060 0.160 12 0 "[ . 1 . 2]" 1
297 1 97 GLU H 1 98 GLY H . . 2.900 2.809 2.598 2.970 0.070 12 0 "[ . 1 . 2]" 1
298 1 98 GLY H 1 99 ALA H . . 2.900 2.593 2.434 2.809 . 0 0 "[ . 1 . 2]" 1
299 1 99 ALA H 1 100 LYS H . . 2.900 2.575 2.450 2.679 . 0 0 "[ . 1 . 2]" 1
300 1 100 LYS H 1 101 GLN H . . 2.900 2.533 2.391 2.632 . 0 0 "[ . 1 . 2]" 1
301 1 101 GLN H 1 102 ILE H . . 2.900 2.452 2.303 2.701 . 0 0 "[ . 1 . 2]" 1
302 1 102 ILE H 1 103 VAL H . . 2.900 2.611 2.425 2.897 . 0 0 "[ . 1 . 2]" 1
303 1 103 VAL H 1 104 ARG H . . 2.900 2.676 2.570 2.759 . 0 0 "[ . 1 . 2]" 1
304 1 104 ARG H 1 105 ARG H . . 2.900 2.846 2.601 2.913 0.013 6 0 "[ . 1 . 2]" 1
305 1 105 ARG H 1 106 HIS H . . 2.900 2.697 2.295 2.848 . 0 0 "[ . 1 . 2]" 1
306 1 106 HIS H 1 107 LEU H . . 2.900 2.659 2.459 2.831 . 0 0 "[ . 1 . 2]" 1
307 1 107 LEU H 1 108 VAL H . . 2.900 2.490 2.167 2.771 . 0 0 "[ . 1 . 2]" 1
308 1 108 VAL H 1 109 ALA H . . 2.900 2.657 2.434 2.762 . 0 0 "[ . 1 . 2]" 1
309 1 109 ALA H 1 110 GLU H . . 2.900 2.570 2.303 2.778 . 0 0 "[ . 1 . 2]" 1
310 1 110 GLU H 1 111 THR H . . 2.900 2.512 2.199 2.859 . 0 0 "[ . 1 . 2]" 1
311 1 111 THR H 1 112 GLY H . . 2.900 2.540 2.009 2.856 . 0 0 "[ . 1 . 2]" 1
312 1 112 GLY H 1 113 THR H . . 2.900 2.572 1.910 2.848 . 0 0 "[ . 1 . 2]" 1
313 1 113 THR H 1 114 ALA H . . 2.900 2.505 1.995 2.792 . 0 0 "[ . 1 . 2]" 1
314 1 114 ALA H 1 115 GLU H . . 2.900 2.489 1.921 2.886 . 0 0 "[ . 1 . 2]" 1
315 1 115 GLU H 1 116 LYS H . . 2.900 2.685 2.019 2.880 . 0 0 "[ . 1 . 2]" 1
316 1 116 LYS H 1 117 MET H . . 2.900 2.473 1.929 2.889 . 0 0 "[ . 1 . 2]" 1
317 1 96 THR H 1 98 GLY H . . 5.000 4.335 4.091 4.702 . 0 0 "[ . 1 . 2]" 1
318 1 97 GLU H 1 99 ALA H . . 5.000 4.180 3.979 4.365 . 0 0 "[ . 1 . 2]" 1
319 1 98 GLY H 1 100 LYS H . . 5.000 4.163 3.899 4.439 . 0 0 "[ . 1 . 2]" 1
320 1 99 ALA H 1 101 GLN H . . 5.000 3.974 3.850 4.138 . 0 0 "[ . 1 . 2]" 1
321 1 100 LYS H 1 102 ILE H . . 5.000 4.222 3.901 4.524 . 0 0 "[ . 1 . 2]" 1
322 1 101 GLN H 1 103 VAL H . . 5.000 4.031 3.824 4.193 . 0 0 "[ . 1 . 2]" 1
323 1 102 ILE H 1 104 ARG H . . 5.000 4.165 3.911 4.422 . 0 0 "[ . 1 . 2]" 1
324 1 103 VAL H 1 105 ARG H . . 5.000 4.240 3.756 4.424 . 0 0 "[ . 1 . 2]" 1
325 1 104 ARG H 1 106 HIS H . . 5.000 4.200 3.994 4.423 . 0 0 "[ . 1 . 2]" 1
326 1 105 ARG H 1 107 LEU H . . 5.000 4.134 3.804 4.485 . 0 0 "[ . 1 . 2]" 1
327 1 106 HIS H 1 108 VAL H . . 5.000 4.314 4.019 4.592 . 0 0 "[ . 1 . 2]" 1
328 1 107 LEU H 1 109 ALA H . . 5.000 3.882 3.657 4.324 . 0 0 "[ . 1 . 2]" 1
329 1 108 VAL H 1 110 GLU H . . 5.000 4.159 3.977 4.403 . 0 0 "[ . 1 . 2]" 1
330 1 109 ALA H 1 111 THR H . . 5.000 4.092 3.668 4.505 . 0 0 "[ . 1 . 2]" 1
331 1 110 GLU H 1 112 GLY H . . 5.000 4.302 3.543 4.984 . 0 0 "[ . 1 . 2]" 1
332 1 111 THR H 1 113 THR H . . 5.000 4.339 3.635 4.957 . 0 0 "[ . 1 . 2]" 1
333 1 112 GLY H 1 114 ALA H . . 5.000 4.426 3.138 4.972 . 0 0 "[ . 1 . 2]" 1
334 1 113 THR H 1 115 GLU H . . 5.000 4.537 3.783 4.999 . 0 0 "[ . 1 . 2]" 1
335 1 114 ALA H 1 116 LYS H . . 5.000 4.718 3.096 5.000 . 0 0 "[ . 1 . 2]" 1
336 1 115 GLU H 1 117 MET H . . 5.000 4.788 3.888 4.991 . 0 0 "[ . 1 . 2]" 1
337 1 95 ASP H 1 98 GLY H . . 5.000 3.476 3.259 3.667 . 0 0 "[ . 1 . 2]" 1
338 1 97 GLU H 1 100 LYS H . . 5.000 5.003 4.744 5.086 0.086 12 0 "[ . 1 . 2]" 1
339 1 98 GLY H 1 101 GLN H . . 5.000 4.999 4.851 5.052 0.052 20 0 "[ . 1 . 2]" 1
340 1 99 ALA H 1 102 ILE H . . 5.000 4.929 4.815 5.017 0.017 1 0 "[ . 1 . 2]" 1
341 1 100 LYS H 1 103 VAL H . . 5.000 4.924 4.749 5.024 0.024 17 0 "[ . 1 . 2]" 1
342 1 101 GLN H 1 104 ARG H . . 5.000 4.657 4.397 4.825 . 0 0 "[ . 1 . 2]" 1
343 1 102 ILE H 1 105 ARG H . . 5.000 4.871 4.688 5.002 0.002 3 0 "[ . 1 . 2]" 1
344 1 103 VAL H 1 106 HIS H . . 5.000 4.867 4.639 5.015 0.015 12 0 "[ . 1 . 2]" 1
345 1 104 ARG H 1 107 LEU H . . 5.000 4.885 4.665 5.019 0.019 17 0 "[ . 1 . 2]" 1
346 1 105 ARG H 1 108 VAL H . . 5.000 4.923 4.672 5.001 0.001 2 0 "[ . 1 . 2]" 1
347 1 106 HIS H 1 109 ALA H . . 5.000 4.899 4.705 5.000 0.000 5 0 "[ . 1 . 2]" 1
348 1 107 LEU H 1 110 GLU H . . 5.000 4.892 4.718 5.000 . 0 0 "[ . 1 . 2]" 1
349 1 95 ASP H 1 99 ALA H . . 5.000 4.367 3.801 4.661 . 0 0 "[ . 1 . 2]" 1
350 1 96 THR HA 1 99 ALA H . . 5.000 3.321 3.147 3.576 . 0 0 "[ . 1 . 2]" 1
351 1 97 GLU HA 1 100 LYS H . . 5.000 3.596 3.365 3.772 . 0 0 "[ . 1 . 2]" 1
352 1 98 GLY QA 1 101 GLN H . . 5.000 3.375 3.223 3.516 . 0 0 "[ . 1 . 2]" 1
353 1 99 ALA HA 1 102 ILE H . . 5.000 3.430 3.252 3.720 . 0 0 "[ . 1 . 2]" 1
354 1 100 LYS HA 1 103 VAL H . . 5.000 3.703 3.457 4.156 . 0 0 "[ . 1 . 2]" 1
355 1 101 GLN HA 1 104 ARG H . . 5.000 3.770 3.374 3.923 . 0 0 "[ . 1 . 2]" 1
356 1 102 ILE HA 1 105 ARG H . . 5.000 3.853 3.589 4.015 . 0 0 "[ . 1 . 2]" 1
357 1 103 VAL HA 1 106 HIS H . . 5.000 3.475 3.313 3.676 . 0 0 "[ . 1 . 2]" 1
358 1 104 ARG HA 1 107 LEU H . . 5.000 3.407 3.168 3.663 . 0 0 "[ . 1 . 2]" 1
359 1 105 ARG HA 1 108 VAL H . . 5.000 3.633 3.309 3.860 . 0 0 "[ . 1 . 2]" 1
360 1 97 GLU HA 1 101 GLN H . . 5.000 4.843 4.544 5.001 0.001 15 0 "[ . 1 . 2]" 1
361 1 100 LYS HA 1 104 ARG H . . 5.000 3.746 3.467 4.122 . 0 0 "[ . 1 . 2]" 1
362 1 96 THR HA 1 99 ALA MB . . 3.300 2.591 2.273 2.976 . 0 0 "[ . 1 . 2]" 1
363 1 97 GLU HA 1 100 LYS QB . . 3.300 3.036 2.455 3.311 0.011 18 0 "[ . 1 . 2]" 1
364 1 98 GLY QA 1 101 GLN QB . . 3.300 2.774 2.371 3.218 . 0 0 "[ . 1 . 2]" 1
365 1 99 ALA HA 1 102 ILE HB . . 3.300 3.051 2.804 3.330 0.030 17 0 "[ . 1 . 2]" 1
366 1 100 LYS HA 1 103 VAL HB . . 3.300 2.990 2.731 3.301 0.001 20 0 "[ . 1 . 2]" 1
367 1 101 GLN HA 1 104 ARG QB . . 3.300 2.793 2.398 3.184 . 0 0 "[ . 1 . 2]" 1
368 1 102 ILE HA 1 105 ARG QB . . 3.300 3.060 2.484 3.309 0.009 3 0 "[ . 1 . 2]" 1
369 1 103 VAL HA 1 106 HIS QB . . 3.300 2.715 2.259 3.304 0.004 17 0 "[ . 1 . 2]" 1
370 1 104 ARG HA 1 107 LEU QB . . 3.300 2.950 2.672 3.255 . 0 0 "[ . 1 . 2]" 1
371 1 105 ARG HA 1 108 VAL HB . . 3.300 3.068 2.610 3.306 0.006 13 0 "[ . 1 . 2]" 1
372 1 106 HIS HA 1 109 ALA MB . . 3.300 2.829 2.503 3.108 . 0 0 "[ . 1 . 2]" 1
373 1 107 LEU HA 1 110 GLU QB . . 3.300 3.042 2.467 3.301 0.001 13 0 "[ . 1 . 2]" 1
374 1 108 VAL HA 1 111 THR HB . . 3.300 3.021 2.673 3.290 . 0 0 "[ . 1 . 2]" 1
375 1 110 GLU HA 1 113 THR HB . . 5.000 4.732 4.123 4.993 . 0 0 "[ . 1 . 2]" 1
376 1 111 THR HA 1 114 ALA MB . . 5.000 3.820 2.119 4.997 . 0 0 "[ . 1 . 2]" 1
377 1 6 VAL H 1 6 VAL HB . . 2.700 2.593 2.498 2.685 . 0 0 "[ . 1 . 2]" 1
378 1 6 VAL H 1 7 LEU H . . 2.700 2.347 2.049 2.701 0.001 20 0 "[ . 1 . 2]" 1
379 1 6 VAL HB 1 7 LEU H . . 2.700 2.597 2.350 2.708 0.008 20 0 "[ . 1 . 2]" 1
380 1 6 VAL HB 1 33 ILE MG . . 5.000 5.006 4.982 5.021 0.021 18 0 "[ . 1 . 2]" 1
381 1 6 VAL MG2 1 33 ILE MG . . 5.000 4.446 3.735 4.945 . 0 0 "[ . 1 . 2]" 1
382 1 6 VAL MG1 1 33 ILE MG . . 5.000 4.702 4.205 4.991 . 0 0 "[ . 1 . 2]" 1
383 1 7 LEU HA 1 7 LEU MD2 . . 2.700 2.295 2.035 2.653 . 0 0 "[ . 1 . 2]" 1
384 1 7 LEU H 1 7 LEU HG . . 3.300 3.196 2.916 3.311 0.011 7 0 "[ . 1 . 2]" 1
385 1 7 LEU HA 1 8 ARG H . . 2.700 2.396 2.141 2.603 . 0 0 "[ . 1 . 2]" 1
386 1 7 LEU MD2 1 8 ARG H . . 3.300 2.427 1.920 3.205 . 0 0 "[ . 1 . 2]" 1
387 1 8 ARG QG 1 11 LYS QG . . 5.000 4.112 2.825 5.004 0.004 7 0 "[ . 1 . 2]" 1
388 1 8 ARG QD 1 11 LYS QD . . 5.000 3.630 1.989 4.795 . 0 0 "[ . 1 . 2]" 1
389 1 11 LYS H 1 11 LYS HB2 . . 3.300 2.322 2.080 2.642 . 0 0 "[ . 1 . 2]" 1
390 1 11 LYS H 1 11 LYS HG3 . . 5.000 3.399 2.551 4.277 . 0 0 "[ . 1 . 2]" 1
391 1 11 LYS HA 1 87 ILE MG . . 5.000 4.416 3.512 5.003 0.003 3 0 "[ . 1 . 2]" 1
392 1 12 ALA MB 1 13 ASP H . . 3.300 2.645 2.507 2.774 . 0 0 "[ . 1 . 2]" 1
393 1 12 ALA HA 1 15 LEU QB . . 5.000 2.533 2.283 2.789 . 0 0 "[ . 1 . 2]" 1
394 1 15 LEU HB3 1 15 LEU MD1 . . 3.300 2.124 2.064 2.196 . 0 0 "[ . 1 . 2]" 1
395 1 15 LEU HB3 1 16 GLU H . . 3.300 2.431 2.310 2.725 . 0 0 "[ . 1 . 2]" 1
396 1 15 LEU MD2 1 18 ILE MD . . 3.300 2.528 2.185 2.967 . 0 0 "[ . 1 . 2]" 1
397 1 15 LEU HA 1 18 ILE MD . . 3.300 2.258 1.881 2.706 . 0 0 "[ . 1 . 2]" 1
398 1 15 LEU HA 1 28 TYR HD2 . . 5.500 5.103 4.668 5.502 0.002 12 0 "[ . 1 . 2]" 1
399 1 15 LEU MD1 1 28 TYR HB3 . . 2.700 2.421 1.930 2.712 0.012 4 0 "[ . 1 . 2]" 1
400 1 15 LEU MD2 1 28 TYR HB2 . . 2.700 2.596 2.395 2.727 0.027 7 0 "[ . 1 . 2]" 1
401 1 15 LEU MD2 1 28 TYR HB3 . . 2.700 2.715 2.624 2.745 0.045 17 0 "[ . 1 . 2]" 1
402 1 15 LEU H 1 87 ILE MD . . 5.000 4.771 4.227 5.017 0.017 12 0 "[ . 1 . 2]" 1
403 1 15 LEU H 1 87 ILE QG . . 5.000 4.951 4.712 5.023 0.023 3 0 "[ . 1 . 2]" 1
404 1 15 LEU H 1 87 ILE MG . . 5.000 4.768 4.250 5.012 0.012 17 0 "[ . 1 . 2]" 1
405 1 15 LEU HA 1 87 ILE MD . . 5.000 3.343 2.960 3.543 . 0 0 "[ . 1 . 2]" 1
406 1 16 GLU QB 1 17 ARG H . . 3.300 3.235 3.083 3.314 0.014 16 0 "[ . 1 . 2]" 1
407 1 16 GLU HA 1 28 TYR HB2 . . 5.000 3.848 3.541 4.434 . 0 0 "[ . 1 . 2]" 1
408 1 17 ARG HA 1 27 LYS QD . . 3.300 3.188 2.873 3.347 0.047 20 0 "[ . 1 . 2]" 1
409 1 17 ARG HA 1 27 LYS QE . . 5.000 4.852 3.854 5.005 0.005 19 0 "[ . 1 . 2]" 1
410 1 18 ILE H 1 27 LYS QB . . 5.000 4.612 4.142 4.956 . 0 0 "[ . 1 . 2]" 1
411 1 18 ILE H 1 28 TYR HD2 . . 5.000 4.624 4.246 4.908 . 0 0 "[ . 1 . 2]" 1
412 1 18 ILE HB 1 28 TYR HD2 . . 2.700 2.312 1.998 2.624 . 0 0 "[ . 1 . 2]" 1
413 1 18 ILE MG 1 28 TYR HD2 . . 2.700 2.260 1.936 2.702 0.002 5 0 "[ . 1 . 2]" 1
414 1 18 ILE MG 1 28 TYR HE2 . . 2.700 2.296 2.007 2.445 . 0 0 "[ . 1 . 2]" 1
415 1 18 ILE MG 1 28 TYR H . . 5.000 4.150 3.623 4.534 . 0 0 "[ . 1 . 2]" 1
416 1 18 ILE MG 1 83 VAL MG2 . . 5.000 2.951 2.621 3.223 . 0 0 "[ . 1 . 2]" 1
417 1 18 ILE MG 1 83 VAL MG1 . . 5.000 2.664 2.411 2.862 . 0 0 "[ . 1 . 2]" 1
418 1 18 ILE MD 1 83 VAL MG1 . . 2.700 2.427 2.062 2.701 0.001 7 0 "[ . 1 . 2]" 1
419 1 18 ILE HG12 1 93 VAL MG2 . . 3.300 2.166 1.893 2.529 . 0 0 "[ . 1 . 2]" 1
420 1 18 ILE MD 1 93 VAL MG2 . . 2.700 2.515 2.221 2.710 0.010 8 0 "[ . 1 . 2]" 1
421 1 18 ILE MG 1 95 ASP HA . . 2.700 2.715 2.697 2.742 0.042 13 0 "[ . 1 . 2]" 1
422 1 18 ILE MG 1 95 ASP H . . 5.000 4.034 3.696 4.269 . 0 0 "[ . 1 . 2]" 1
423 1 18 ILE MG 1 96 THR H . . 5.000 3.179 3.009 3.372 . 0 0 "[ . 1 . 2]" 1
424 1 19 ARG QB 1 21 ARG H . . 3.300 2.510 2.271 2.668 . 0 0 "[ . 1 . 2]" 1
425 1 20 LEU HA 1 20 LEU MD2 . . 2.700 2.134 1.961 2.357 . 0 0 "[ . 1 . 2]" 1
426 1 20 LEU H 1 20 LEU HG . . 2.700 2.470 1.957 2.685 . 0 0 "[ . 1 . 2]" 1
427 1 20 LEU HG 1 27 LYS HA . . 5.000 3.312 2.852 3.746 . 0 0 "[ . 1 . 2]" 1
428 1 20 LEU MD1 1 27 LYS H . . 5.000 3.875 3.329 4.369 . 0 0 "[ . 1 . 2]" 1
429 1 20 LEU MD2 1 28 TYR QE . . 3.300 2.781 2.608 2.954 . 0 0 "[ . 1 . 2]" 1
430 1 20 LEU MD2 1 28 TYR QD . . 3.300 2.847 2.674 3.028 . 0 0 "[ . 1 . 2]" 1
431 1 20 LEU MD2 1 28 TYR HA . . 3.300 2.699 2.163 3.291 . 0 0 "[ . 1 . 2]" 1
432 1 20 LEU MD2 1 28 TYR H . . 5.000 3.958 2.588 4.461 . 0 0 "[ . 1 . 2]" 1
433 1 20 LEU MD2 1 32 HIS HE1 . . 5.000 3.272 2.653 3.718 . 0 0 "[ . 1 . 2]" 1
434 1 20 LEU MD1 1 32 HIS HE1 . . 3.300 2.269 1.977 2.841 . 0 0 "[ . 1 . 2]" 1
435 1 21 ARG HA 1 22 PRO QD . . 2.700 2.155 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
436 1 21 ARG QB 1 22 PRO QD . . 2.700 2.083 1.975 2.228 . 0 0 "[ . 1 . 2]" 1
437 1 21 ARG H 1 95 ASP HB2 . . 5.000 4.416 4.255 4.779 . 0 0 "[ . 1 . 2]" 1
438 1 21 ARG H 1 95 ASP HB3 . . 5.000 5.019 5.004 5.044 0.044 17 0 "[ . 1 . 2]" 1
439 1 21 ARG H 1 96 THR H . . 5.000 4.195 4.039 4.469 . 0 0 "[ . 1 . 2]" 1
440 1 21 ARG HA 1 96 THR H . . 5.000 3.955 3.608 4.198 . 0 0 "[ . 1 . 2]" 1
441 1 21 ARG HA 1 96 THR HB . . 5.000 3.379 2.969 3.803 . 0 0 "[ . 1 . 2]" 1
442 1 22 PRO HB2 1 23 GLY H . . 3.300 3.309 3.295 3.348 0.048 20 0 "[ . 1 . 2]" 1
443 1 22 PRO HD2 1 23 GLY H . . 5.000 2.648 2.647 2.650 . 0 0 "[ . 1 . 2]" 1
444 1 22 PRO HA 1 95 ASP HB2 . . 3.300 2.500 2.316 2.639 . 0 0 "[ . 1 . 2]" 1
445 1 22 PRO HA 1 95 ASP HB3 . . 3.300 2.289 2.066 2.635 . 0 0 "[ . 1 . 2]" 1
446 1 22 PRO HA 1 96 THR H . . 5.000 5.021 5.001 5.069 0.069 20 0 "[ . 1 . 2]" 1
447 1 22 PRO QD 1 97 GLU QG . . 3.300 2.287 1.882 2.903 . 0 0 "[ . 1 . 2]" 1
448 1 21 ARG QB 1 24 GLY H . . 3.300 2.487 2.076 2.800 . 0 0 "[ . 1 . 2]" 1
449 1 26 LYS H 1 26 LYS QB . . 2.700 2.400 2.135 2.794 0.094 20 0 "[ . 1 . 2]" 1
450 1 28 TYR H 1 28 TYR HD2 . . 3.300 2.898 2.679 3.071 . 0 0 "[ . 1 . 2]" 1
451 1 28 TYR HD1 1 32 HIS HD2 . . 5.000 4.950 4.842 5.016 0.016 18 0 "[ . 1 . 2]" 1
452 1 28 TYR HE1 1 32 HIS HD2 . . 5.000 5.005 4.971 5.017 0.017 7 0 "[ . 1 . 2]" 1
453 1 28 TYR HA 1 32 HIS HE1 . . 3.300 2.696 2.356 2.991 . 0 0 "[ . 1 . 2]" 1
454 1 28 TYR HD1 1 32 HIS QB . . 2.700 2.430 2.318 2.511 . 0 0 "[ . 1 . 2]" 1
455 1 28 TYR HE1 1 32 HIS QB . . 3.300 3.120 2.910 3.307 0.007 20 0 "[ . 1 . 2]" 1
456 1 28 TYR HA 1 32 HIS QB . . 5.000 3.907 3.697 4.054 . 0 0 "[ . 1 . 2]" 1
457 1 28 TYR HE1 1 80 THR HA . . 3.300 3.286 2.951 3.326 0.026 18 0 "[ . 1 . 2]" 1
458 1 28 TYR HE1 1 80 THR MG . . 3.300 2.489 2.141 2.939 . 0 0 "[ . 1 . 2]" 1
459 1 28 TYR HD1 1 80 THR MG . . 5.000 3.685 3.453 4.052 . 0 0 "[ . 1 . 2]" 1
460 1 28 TYR HE2 1 83 VAL MG1 . . 5.000 2.749 2.387 3.061 . 0 0 "[ . 1 . 2]" 1
461 1 28 TYR HE2 1 83 VAL MG2 . . 5.000 2.299 1.969 2.810 . 0 0 "[ . 1 . 2]" 1
462 1 28 TYR HE1 1 83 VAL HB . . 5.000 4.364 4.020 4.632 . 0 0 "[ . 1 . 2]" 1
463 1 28 TYR HE2 1 96 THR H . . 5.000 3.935 3.739 4.261 . 0 0 "[ . 1 . 2]" 1
464 1 28 TYR HE2 1 96 THR HA . . 5.000 3.235 2.888 3.624 . 0 0 "[ . 1 . 2]" 1
465 1 28 TYR HE2 1 96 THR MG . . 5.000 3.628 3.523 3.772 . 0 0 "[ . 1 . 2]" 1
466 1 29 ARG H 1 32 HIS HE1 . . 3.300 3.058 2.891 3.171 . 0 0 "[ . 1 . 2]" 1
467 1 29 ARG QB 1 32 HIS HE1 . . 3.300 3.143 2.959 3.302 0.002 7 0 "[ . 1 . 2]" 1
468 1 30 LEU HA 1 30 LEU QD . . 2.700 2.471 2.037 2.700 0.000 18 0 "[ . 1 . 2]" 1
469 1 30 LEU H 1 30 LEU MD1 . . 3.300 2.792 1.972 3.188 . 0 0 "[ . 1 . 2]" 1
470 1 30 LEU HA 1 33 ILE MD . . 3.300 2.395 2.079 2.605 . 0 0 "[ . 1 . 2]" 1
471 1 30 LEU QD 1 33 ILE MD . . 5.000 2.466 2.185 2.997 . 0 0 "[ . 1 . 2]" 1
472 1 32 HIS H 1 32 HIS HD2 . . 5.000 4.218 4.009 4.336 . 0 0 "[ . 1 . 2]" 1
473 1 32 HIS HA 1 32 HIS HD2 . . 2.900 2.909 2.844 2.944 0.044 7 0 "[ . 1 . 2]" 1
474 1 32 HIS HA 1 35 TRP HE3 . . 5.000 4.466 4.161 5.003 0.003 9 0 "[ . 1 . 2]" 1
475 1 33 ILE H 1 33 ILE HB . . 2.700 2.677 2.624 2.715 0.015 11 0 "[ . 1 . 2]" 1
476 1 33 ILE HB 1 34 VAL H . . 2.700 2.647 2.427 2.703 0.003 13 0 "[ . 1 . 2]" 1
477 1 33 ILE MG 1 34 VAL MG2 . . 5.000 4.003 3.868 4.162 . 0 0 "[ . 1 . 2]" 1
478 1 33 ILE HA 1 80 THR MG . . 5.000 3.782 3.355 3.999 . 0 0 "[ . 1 . 2]" 1
479 1 33 ILE HA 1 84 ILE MD . . 5.000 4.021 3.605 4.416 . 0 0 "[ . 1 . 2]" 1
480 1 33 ILE HG12 1 84 ILE MD . . 5.000 2.992 2.720 3.190 . 0 0 "[ . 1 . 2]" 1
481 1 33 ILE MD 1 84 ILE MD . . 3.300 3.298 3.099 3.345 0.045 20 0 "[ . 1 . 2]" 1
482 1 33 ILE MG 1 84 ILE MD . . 3.300 3.108 2.750 3.314 0.014 13 0 "[ . 1 . 2]" 1
483 1 34 VAL HA 1 34 VAL MG1 . . 2.700 2.345 2.306 2.414 . 0 0 "[ . 1 . 2]" 1
484 1 34 VAL HA 1 34 VAL MG2 . . 2.700 2.313 2.255 2.417 . 0 0 "[ . 1 . 2]" 1
485 1 34 VAL H 1 34 VAL MG2 . . 2.700 2.212 2.026 2.361 . 0 0 "[ . 1 . 2]" 1
486 1 34 VAL H 1 34 VAL HB . . 2.700 2.534 2.498 2.582 . 0 0 "[ . 1 . 2]" 1
487 1 34 VAL HB 1 35 TRP H . . 2.700 2.414 2.215 2.691 . 0 0 "[ . 1 . 2]" 1
488 1 34 VAL MG1 1 37 ALA MB . . 5.000 3.816 3.448 4.222 . 0 0 "[ . 1 . 2]" 1
489 1 34 VAL MG2 1 37 ALA MB . . 5.000 4.375 4.131 4.658 . 0 0 "[ . 1 . 2]" 1
490 1 35 TRP HE3 1 36 ALA H . . 3.300 3.241 3.032 3.308 0.008 4 0 "[ . 1 . 2]" 1
491 1 35 TRP HZ2 1 39 LYS QE . . 5.000 3.546 2.314 5.002 0.002 11 0 "[ . 1 . 2]" 1
492 1 35 TRP HZ2 1 73 ASN HA . . 5.000 3.146 2.085 4.316 . 0 0 "[ . 1 . 2]" 1
493 1 35 TRP HZ2 1 73 ASN HB3 . . 5.000 3.296 2.070 4.987 . 0 0 "[ . 1 . 2]" 1
494 1 35 TRP HH2 1 73 ASN HA . . 5.000 3.891 3.361 4.408 . 0 0 "[ . 1 . 2]" 1
495 1 35 TRP HH2 1 77 LEU H . . 3.300 2.426 2.109 3.044 . 0 0 "[ . 1 . 2]" 1
496 1 35 TRP HZ3 1 77 LEU H . . 3.300 3.192 2.809 3.315 0.015 7 0 "[ . 1 . 2]" 1
497 1 35 TRP HZ3 1 77 LEU HA . . 2.700 2.044 1.991 2.415 . 0 0 "[ . 1 . 2]" 1
498 1 35 TRP HH2 1 77 LEU HA . . 5.000 3.648 3.383 4.102 . 0 0 "[ . 1 . 2]" 1
499 1 35 TRP HZ3 1 77 LEU MD1 . . 5.000 2.627 1.979 3.319 . 0 0 "[ . 1 . 2]" 1
500 1 35 TRP HE3 1 77 LEU MD1 . . 5.000 3.399 2.921 4.005 . 0 0 "[ . 1 . 2]" 1
501 1 35 TRP HZ3 1 80 THR H . . 5.000 4.936 4.654 5.004 0.004 4 0 "[ . 1 . 2]" 1
502 1 35 TRP HE3 1 80 THR MG . . 5.000 4.174 3.926 4.553 . 0 0 "[ . 1 . 2]" 1
503 1 36 ALA MB 1 37 ALA H . . 3.300 2.440 2.279 2.552 . 0 0 "[ . 1 . 2]" 1
504 1 36 ALA HA 1 77 LEU MD1 . . 2.700 2.165 1.954 2.495 . 0 0 "[ . 1 . 2]" 1
505 1 36 ALA MB 1 77 LEU MD1 . . 3.300 2.274 1.884 2.754 . 0 0 "[ . 1 . 2]" 1
506 1 36 ALA MB 1 80 THR MG . . 3.300 2.593 1.915 2.946 . 0 0 "[ . 1 . 2]" 1
507 1 36 ALA MB 1 80 THR HB . . 5.000 3.385 2.841 3.652 . 0 0 "[ . 1 . 2]" 1
508 1 37 ALA MB 1 47 GLU QB . . 2.700 2.150 1.843 2.725 0.025 17 0 "[ . 1 . 2]" 1
509 1 37 ALA HA 1 50 LEU MD1 . . 2.700 2.575 2.304 2.721 0.021 19 0 "[ . 1 . 2]" 1
510 1 37 ALA H 1 50 LEU MD1 . . 3.300 3.221 2.999 3.317 0.017 13 0 "[ . 1 . 2]" 1
511 1 37 ALA MB 1 50 LEU MD1 . . 3.300 2.430 2.123 2.659 . 0 0 "[ . 1 . 2]" 1
512 1 39 LYS QB 1 77 LEU MD1 . . 3.300 2.746 1.882 3.302 0.002 12 0 "[ . 1 . 2]" 1
513 1 40 LEU H 1 40 LEU HG . . 5.000 2.310 2.024 2.609 . 0 0 "[ . 1 . 2]" 1
514 1 40 LEU HA 1 43 PHE HD2 . . 3.300 2.969 2.768 3.307 0.007 12 0 "[ . 1 . 2]" 1
515 1 40 LEU HA 1 45 LEU HB2 . . 3.300 3.042 2.602 3.307 0.007 16 0 "[ . 1 . 2]" 1
516 1 40 LEU MD2 1 45 LEU HB2 . . 3.300 2.396 1.997 2.921 . 0 0 "[ . 1 . 2]" 1
517 1 40 LEU HA 1 45 LEU MD1 . . 5.000 3.741 2.768 4.258 . 0 0 "[ . 1 . 2]" 1
518 1 40 LEU HA 1 45 LEU MD2 . . 5.000 5.068 5.004 5.139 0.139 11 0 "[ . 1 . 2]" 1
519 1 40 LEU MD1 1 47 GLU HA . . 2.700 2.050 1.870 2.702 0.002 4 0 "[ . 1 . 2]" 1
520 1 40 LEU MD1 1 47 GLU HB3 . . 5.000 3.269 2.794 3.853 . 0 0 "[ . 1 . 2]" 1
521 1 40 LEU MD1 1 50 LEU HG . . 2.700 2.402 2.008 2.652 . 0 0 "[ . 1 . 2]" 1
522 1 40 LEU MD1 1 50 LEU MD2 . . 3.300 3.067 2.580 3.308 0.008 14 0 "[ . 1 . 2]" 1
523 1 40 LEU MD1 1 59 ILE MD . . 3.300 2.360 1.931 2.703 . 0 0 "[ . 1 . 2]" 1
524 1 40 LEU MD2 1 63 LEU MD1 . . 5.000 3.749 2.328 4.245 . 0 0 "[ . 1 . 2]" 1
525 1 40 LEU H 1 77 LEU MD1 . . 5.000 4.153 3.575 4.631 . 0 0 "[ . 1 . 2]" 1
526 1 40 LEU MD2 1 77 LEU MD1 . . 5.000 3.658 2.395 4.504 . 0 0 "[ . 1 . 2]" 1
527 1 40 LEU MD2 1 77 LEU MD2 . . 5.000 3.187 2.050 4.067 . 0 0 "[ . 1 . 2]" 1
528 1 37 ALA HA 1 40 LEU HG . . 5.000 3.124 2.623 3.707 . 0 0 "[ . 1 . 2]" 1
529 1 41 ASP H 1 47 GLU HB3 . . 5.000 4.932 4.336 5.094 0.094 11 0 "[ . 1 . 2]" 1
530 1 43 PHE H 1 43 PHE HB2 . . 2.700 2.351 2.191 2.473 . 0 0 "[ . 1 . 2]" 1
531 1 43 PHE HB3 1 45 LEU MD1 . . 5.000 3.377 2.396 4.129 . 0 0 "[ . 1 . 2]" 1
532 1 43 PHE QE 1 74 LEU HA . . 5.000 4.703 3.392 5.057 0.057 15 0 "[ . 1 . 2]" 1
533 1 43 PHE QE 1 74 LEU MD1 . . 5.000 3.417 2.520 4.877 . 0 0 "[ . 1 . 2]" 1
534 1 45 LEU H 1 45 LEU HB2 . . 2.700 2.239 2.121 2.416 . 0 0 "[ . 1 . 2]" 1
535 1 45 LEU HA 1 45 LEU MD2 . . 3.300 3.031 2.462 3.209 . 0 0 "[ . 1 . 2]" 1
536 1 45 LEU H 1 45 LEU MD1 . . 5.000 2.865 2.523 3.466 . 0 0 "[ . 1 . 2]" 1
537 1 45 LEU H 1 45 LEU HG . . 3.300 3.258 2.927 3.344 0.044 19 0 "[ . 1 . 2]" 1
538 1 45 LEU MD2 1 46 ALA H . . 3.300 3.228 2.393 3.357 0.057 11 0 "[ . 1 . 2]" 1
539 1 45 LEU MD2 1 49 LEU MD1 . . 3.300 2.016 1.774 3.128 . 0 0 "[ . 1 . 2]" 1
540 1 45 LEU MD1 1 59 ILE HA . . 3.300 2.939 2.290 3.325 0.025 17 0 "[ . 1 . 2]" 1
541 1 45 LEU MD1 1 59 ILE MG . . 5.000 2.966 1.954 3.676 . 0 0 "[ . 1 . 2]" 1
542 1 45 LEU MD2 1 62 VAL HB . . 5.000 4.395 3.010 5.022 0.022 11 0 "[ . 1 . 2]" 1
543 1 46 ALA HA 1 48 SER H . . 5.000 3.892 3.673 4.214 . 0 0 "[ . 1 . 2]" 1
544 1 46 ALA MB 1 48 SER H . . 2.700 2.501 2.118 2.698 . 0 0 "[ . 1 . 2]" 1
545 1 46 ALA MB 1 49 LEU MD1 . . 5.000 2.920 2.126 4.620 . 0 0 "[ . 1 . 2]" 1
546 1 46 ALA H 1 49 LEU MD1 . . 5.000 2.450 1.898 4.025 . 0 0 "[ . 1 . 2]" 1
547 1 46 ALA MB 1 49 LEU H . . 5.000 3.176 2.819 4.108 . 0 0 "[ . 1 . 2]" 1
548 1 48 SER H 1 49 LEU HG . . 5.000 3.970 3.754 4.244 . 0 0 "[ . 1 . 2]" 1
549 1 48 SER HA 1 51 GLU QG . . 3.300 3.039 2.270 3.346 0.046 11 0 "[ . 1 . 2]" 1
550 1 48 SER QB 1 51 GLU QG . . 5.000 3.721 3.214 4.920 . 0 0 "[ . 1 . 2]" 1
551 1 49 LEU H 1 49 LEU HG . . 2.700 2.420 2.092 2.665 . 0 0 "[ . 1 . 2]" 1
552 1 49 LEU HA 1 49 LEU HG . . 3.300 3.111 2.925 3.314 0.014 12 0 "[ . 1 . 2]" 1
553 1 49 LEU HA 1 49 LEU MD2 . . 2.700 2.072 1.950 2.376 . 0 0 "[ . 1 . 2]" 1
554 1 49 LEU H 1 49 LEU HB2 . . 2.700 2.480 2.344 2.644 . 0 0 "[ . 1 . 2]" 1
555 1 49 LEU HA 1 55 GLY HA3 . . 3.300 2.925 1.997 3.323 0.023 11 0 "[ . 1 . 2]" 1
556 1 49 LEU MD2 1 55 GLY HA3 . . 3.300 2.414 2.023 3.020 . 0 0 "[ . 1 . 2]" 1
557 1 49 LEU MD2 1 55 GLY HA2 . . 3.300 2.597 2.004 3.126 . 0 0 "[ . 1 . 2]" 1
558 1 50 LEU HA 1 50 LEU MD2 . . 2.700 2.321 1.976 2.691 . 0 0 "[ . 1 . 2]" 1
559 1 50 LEU H 1 50 LEU HG . . 3.300 3.293 3.182 3.335 0.035 15 0 "[ . 1 . 2]" 1
560 1 50 LEU HA 1 50 LEU HG . . 3.300 2.584 2.412 2.904 . 0 0 "[ . 1 . 2]" 1
561 1 50 LEU MD2 1 56 CYS HA . . 5.000 4.503 4.181 4.745 . 0 0 "[ . 1 . 2]" 1
562 1 50 LEU HA 1 56 CYS HA . . 5.000 4.317 3.928 4.770 . 0 0 "[ . 1 . 2]" 1
563 1 50 LEU HA 1 59 ILE MD . . 5.000 3.567 3.056 4.213 . 0 0 "[ . 1 . 2]" 1
564 1 50 LEU HG 1 59 ILE MD . . 5.000 3.109 2.687 3.685 . 0 0 "[ . 1 . 2]" 1
565 1 50 LEU MD2 1 59 ILE MD . . 3.300 3.239 2.967 3.312 0.012 6 0 "[ . 1 . 2]" 1
566 1 50 LEU HA 1 84 ILE MG . . 5.000 2.927 2.732 3.306 . 0 0 "[ . 1 . 2]" 1
567 1 50 LEU MD2 1 84 ILE MD . . 2.700 2.717 2.702 2.742 0.042 12 0 "[ . 1 . 2]" 1
568 1 52 SER HA 1 52 SER QB . . 2.700 2.170 2.158 2.213 . 0 0 "[ . 1 . 2]" 1
569 1 52 SER QB 1 55 GLY H . . 5.000 3.380 3.124 3.543 . 0 0 "[ . 1 . 2]" 1
570 1 52 SER HA 1 88 HIS HD2 . . 5.000 4.709 4.382 5.005 0.005 17 0 "[ . 1 . 2]" 1
571 1 53 LYS HA 1 85 TRP HD1 . . 3.300 3.271 2.794 3.322 0.022 14 0 "[ . 1 . 2]" 1
572 1 53 LYS QD 1 85 TRP HZ2 . . 5.000 4.159 2.754 5.028 0.028 11 0 "[ . 1 . 2]" 1
573 1 53 LYS QG 1 85 TRP HE1 . . 5.000 3.648 2.242 4.811 . 0 0 "[ . 1 . 2]" 1
574 1 53 LYS QD 1 85 TRP HE1 . . 5.000 4.328 2.813 5.015 0.015 18 0 "[ . 1 . 2]" 1
575 1 53 LYS HA 1 88 HIS HB2 . . 3.300 2.613 2.347 2.998 . 0 0 "[ . 1 . 2]" 1
576 1 53 LYS HA 1 88 HIS HB3 . . 5.000 3.116 2.842 3.459 . 0 0 "[ . 1 . 2]" 1
577 1 53 LYS HA 1 88 HIS HD2 . . 3.300 2.945 2.641 3.284 . 0 0 "[ . 1 . 2]" 1
578 1 53 LYS H 1 88 HIS HD2 . . 5.000 4.338 4.002 5.028 0.028 11 0 "[ . 1 . 2]" 1
579 1 53 LYS H 1 88 HIS HB3 . . 3.300 2.666 2.086 3.302 0.002 6 0 "[ . 1 . 2]" 1
580 1 49 LEU MD2 1 55 GLY H . . 5.000 4.004 3.571 4.433 . 0 0 "[ . 1 . 2]" 1
581 1 56 CYS H 1 85 TRP HD1 . . 5.000 3.869 3.569 4.131 . 0 0 "[ . 1 . 2]" 1
582 1 56 CYS HB2 1 85 TRP HD1 . . 2.700 2.666 2.359 2.711 0.011 19 0 "[ . 1 . 2]" 1
583 1 56 CYS HB3 1 85 TRP H . . 5.000 3.757 3.583 4.067 . 0 0 "[ . 1 . 2]" 1
584 1 56 CYS HB2 1 88 HIS HD2 . . 5.000 2.918 2.587 3.493 . 0 0 "[ . 1 . 2]" 1
585 1 57 GLN H 1 85 TRP HD1 . . 3.300 2.683 2.496 3.049 . 0 0 "[ . 1 . 2]" 1
586 1 57 GLN H 1 85 TRP HE1 . . 5.000 3.732 3.505 4.138 . 0 0 "[ . 1 . 2]" 1
587 1 57 GLN QB 1 85 TRP HE1 . . 5.000 2.392 1.965 2.977 . 0 0 "[ . 1 . 2]" 1
588 1 57 GLN QG 1 85 TRP HE1 . . 5.000 2.652 1.932 3.617 . 0 0 "[ . 1 . 2]" 1
589 1 57 GLN QB 1 85 TRP HD1 . . 5.000 3.120 2.763 3.471 . 0 0 "[ . 1 . 2]" 1
590 1 57 GLN QG 1 85 TRP HD1 . . 5.000 3.841 3.161 4.507 . 0 0 "[ . 1 . 2]" 1
591 1 59 ILE H 1 59 ILE MD . . 5.000 3.576 3.424 3.707 . 0 0 "[ . 1 . 2]" 1
592 1 59 ILE H 1 59 ILE HB . . 3.300 2.550 2.474 2.652 . 0 0 "[ . 1 . 2]" 1
593 1 59 ILE H 1 59 ILE HG13 . . 2.700 2.214 2.083 2.387 . 0 0 "[ . 1 . 2]" 1
594 1 59 ILE MG 1 60 LEU H . . 5.000 3.501 3.406 3.637 . 0 0 "[ . 1 . 2]" 1
595 1 59 ILE HB 1 60 LEU H . . 2.700 2.587 2.480 2.654 . 0 0 "[ . 1 . 2]" 1
596 1 59 ILE MG 1 63 LEU MD1 . . 3.300 2.072 1.817 2.388 . 0 0 "[ . 1 . 2]" 1
597 1 59 ILE MG 1 63 LEU HG . . 3.300 2.500 2.060 2.965 . 0 0 "[ . 1 . 2]" 1
598 1 60 LEU HA 1 60 LEU MD2 . . 2.700 2.007 1.958 2.159 . 0 0 "[ . 1 . 2]" 1
599 1 60 LEU H 1 60 LEU HB2 . . 2.700 2.367 2.279 2.467 . 0 0 "[ . 1 . 2]" 1
600 1 60 LEU H 1 60 LEU HG . . 2.700 2.475 2.266 2.669 . 0 0 "[ . 1 . 2]" 1
601 1 60 LEU HB2 1 61 THR H . . 3.300 2.735 2.591 2.916 . 0 0 "[ . 1 . 2]" 1
602 1 60 LEU HA 1 63 LEU MD1 . . 5.000 3.209 2.716 3.552 . 0 0 "[ . 1 . 2]" 1
603 1 60 LEU HA 1 78 PHE HE1 . . 3.300 2.761 2.253 3.305 0.005 10 0 "[ . 1 . 2]" 1
604 1 60 LEU HA 1 78 PHE HD1 . . 3.300 3.232 2.870 3.336 0.036 7 0 "[ . 1 . 2]" 1
605 1 60 LEU MD2 1 78 PHE HE1 . . 3.300 2.432 1.994 2.782 . 0 0 "[ . 1 . 2]" 1
606 1 60 LEU MD2 1 78 PHE HD1 . . 3.300 2.762 2.259 3.093 . 0 0 "[ . 1 . 2]" 1
607 1 60 LEU MD2 1 78 PHE HA . . 5.000 3.479 3.059 3.679 . 0 0 "[ . 1 . 2]" 1
608 1 60 LEU MD2 1 81 VAL MG2 . . 3.300 3.256 3.059 3.318 0.018 14 0 "[ . 1 . 2]" 1
609 1 60 LEU MD2 1 81 VAL HB . . 2.700 2.105 1.927 2.238 . 0 0 "[ . 1 . 2]" 1
610 1 60 LEU H 1 81 VAL MG2 . . 5.000 4.879 4.497 5.022 0.022 4 0 "[ . 1 . 2]" 1
611 1 60 LEU MD2 1 82 CYS HA . . 5.000 2.625 2.193 2.952 . 0 0 "[ . 1 . 2]" 1
612 1 60 LEU MD1 1 82 CYS HA . . 3.300 2.606 2.217 3.190 . 0 0 "[ . 1 . 2]" 1
613 1 60 LEU MD2 1 82 CYS H . . 3.300 3.016 2.503 3.313 0.013 14 0 "[ . 1 . 2]" 1
614 1 60 LEU MD1 1 85 TRP HB2 . . 5.000 2.959 2.218 3.389 . 0 0 "[ . 1 . 2]" 1
615 1 60 LEU MD1 1 85 TRP HB3 . . 5.000 3.021 2.352 3.392 . 0 0 "[ . 1 . 2]" 1
616 1 60 LEU MD1 1 85 TRP HD1 . . 5.000 3.638 2.976 4.203 . 0 0 "[ . 1 . 2]" 1
617 1 60 LEU MD1 1 103 VAL MG1 . . 3.300 1.921 1.796 2.101 . 0 0 "[ . 1 . 2]" 1
618 1 58 LYS HA 1 61 THR MG . . 3.300 2.679 2.369 2.849 . 0 0 "[ . 1 . 2]" 1
619 1 58 LYS HA 1 61 THR HB . . 3.300 3.348 3.333 3.376 0.076 10 0 "[ . 1 . 2]" 1
620 1 61 THR H 1 61 THR HB . . 2.700 2.277 2.224 2.386 . 0 0 "[ . 1 . 2]" 1
621 1 63 LEU H 1 63 LEU HG . . 2.700 2.565 2.289 2.706 0.006 18 0 "[ . 1 . 2]" 1
622 1 63 LEU HA 1 63 LEU MD2 . . 3.300 2.022 1.949 2.152 . 0 0 "[ . 1 . 2]" 1
623 1 63 LEU HA 1 66 MET HB2 . . 3.300 2.030 1.953 2.230 . 0 0 "[ . 1 . 2]" 1
624 1 63 LEU HA 1 66 MET QG . . 5.000 2.978 1.956 3.999 . 0 0 "[ . 1 . 2]" 1
625 1 63 LEU HA 1 74 LEU MD1 . . 5.000 3.844 2.622 4.754 . 0 0 "[ . 1 . 2]" 1
626 1 63 LEU MD2 1 74 LEU MD1 . . 5.000 2.832 1.855 3.732 . 0 0 "[ . 1 . 2]" 1
627 1 63 LEU MD1 1 77 LEU MD2 . . 5.000 2.124 1.842 2.737 . 0 0 "[ . 1 . 2]" 1
628 1 63 LEU MD2 1 77 LEU MD2 . . 5.000 2.051 1.754 3.058 . 0 0 "[ . 1 . 2]" 1
629 1 63 LEU MD1 1 77 LEU HG . . 3.300 2.031 1.879 2.547 . 0 0 "[ . 1 . 2]" 1
630 1 63 LEU MD1 1 78 PHE H . . 5.000 3.166 2.930 3.586 . 0 0 "[ . 1 . 2]" 1
631 1 63 LEU MD1 1 78 PHE HA . . 3.300 2.138 1.885 2.457 . 0 0 "[ . 1 . 2]" 1
632 1 63 LEU MD1 1 78 PHE HD1 . . 3.300 2.533 2.169 3.115 . 0 0 "[ . 1 . 2]" 1
633 1 63 LEU MD1 1 81 VAL MG1 . . 3.300 2.972 2.636 3.263 . 0 0 "[ . 1 . 2]" 1
634 1 64 ASP H 1 65 PRO HD2 . . 3.300 2.191 2.108 2.228 . 0 0 "[ . 1 . 2]" 1
635 1 64 ASP H 1 65 PRO HD3 . . 3.300 3.242 3.173 3.283 . 0 0 "[ . 1 . 2]" 1
636 1 64 ASP QB 1 65 PRO QD . . 2.700 1.859 1.815 1.879 . 0 0 "[ . 1 . 2]" 1
637 1 64 ASP QB 1 78 PHE HE1 . . 5.000 3.831 3.074 4.318 . 0 0 "[ . 1 . 2]" 1
638 1 64 ASP H 1 78 PHE HE1 . . 5.000 3.529 3.128 3.954 . 0 0 "[ . 1 . 2]" 1
639 1 64 ASP H 1 78 PHE HD1 . . 5.000 4.398 4.055 4.647 . 0 0 "[ . 1 . 2]" 1
640 1 64 ASP HA 1 78 PHE HE1 . . 3.300 3.252 2.847 3.329 0.029 19 0 "[ . 1 . 2]" 1
641 1 64 ASP HA 1 78 PHE HD1 . . 5.000 4.452 3.833 4.715 . 0 0 "[ . 1 . 2]" 1
642 1 65 PRO HB2 1 66 MET H . . 5.000 3.678 3.586 3.795 . 0 0 "[ . 1 . 2]" 1
643 1 65 PRO HG2 1 66 MET H . . 3.300 2.852 2.710 3.039 . 0 0 "[ . 1 . 2]" 1
644 1 65 PRO HD2 1 66 MET H . . 3.300 2.756 2.701 2.839 . 0 0 "[ . 1 . 2]" 1
645 1 66 MET QB 1 74 LEU MD1 . . 5.000 1.971 1.857 2.169 . 0 0 "[ . 1 . 2]" 1
646 1 66 MET QB 1 74 LEU MD2 . . 5.000 1.899 1.759 2.090 . 0 0 "[ . 1 . 2]" 1
647 1 65 PRO HD2 1 67 VAL H . . 5.000 4.727 4.568 4.959 . 0 0 "[ . 1 . 2]" 1
648 1 67 VAL H 1 67 VAL MG2 . . 3.300 2.636 2.576 2.696 . 0 0 "[ . 1 . 2]" 1
649 1 67 VAL H 1 67 VAL HB . . 2.700 2.250 2.232 2.271 . 0 0 "[ . 1 . 2]" 1
650 1 67 VAL HA 1 67 VAL MG2 . . 2.700 2.208 2.135 2.241 . 0 0 "[ . 1 . 2]" 1
651 1 67 VAL HA 1 74 LEU MD2 . . 2.700 2.525 2.132 2.708 0.008 5 0 "[ . 1 . 2]" 1
652 1 67 VAL MG2 1 74 LEU MD2 . . 3.300 2.940 2.424 3.224 . 0 0 "[ . 1 . 2]" 1
653 1 67 VAL MG2 1 75 LYS HA . . 3.300 3.167 2.848 3.303 0.003 5 0 "[ . 1 . 2]" 1
654 1 67 VAL MG2 1 75 LYS QB . . 5.000 4.258 3.785 4.494 . 0 0 "[ . 1 . 2]" 1
655 1 67 VAL MG2 1 75 LYS QG . . 3.300 2.571 2.150 2.868 . 0 0 "[ . 1 . 2]" 1
656 1 67 VAL MG1 1 75 LYS QG . . 3.300 3.132 2.858 3.306 0.006 9 0 "[ . 1 . 2]" 1
657 1 67 VAL MG1 1 75 LYS QE . . 3.300 2.514 1.896 3.248 . 0 0 "[ . 1 . 2]" 1
658 1 67 VAL MG2 1 78 PHE QE . . 2.700 2.701 2.549 2.728 0.028 19 0 "[ . 1 . 2]" 1
659 1 67 VAL MG2 1 78 PHE QD . . 2.700 2.383 2.190 2.544 . 0 0 "[ . 1 . 2]" 1
660 1 67 VAL MG2 1 78 PHE HB2 . . 3.300 3.127 2.926 3.312 0.012 7 0 "[ . 1 . 2]" 1
661 1 67 VAL MG2 1 78 PHE HB3 . . 3.300 3.320 3.178 3.354 0.054 10 0 "[ . 1 . 2]" 1
662 1 68 PRO HB2 1 69 THR H . . 5.000 3.908 3.822 3.960 . 0 0 "[ . 1 . 2]" 1
663 1 68 PRO HG2 1 69 THR H . . 3.300 3.242 3.089 3.339 0.039 19 0 "[ . 1 . 2]" 1
664 1 68 PRO HD2 1 69 THR H . . 3.300 2.958 2.864 3.022 . 0 0 "[ . 1 . 2]" 1
665 1 68 PRO HB2 1 69 THR MG . . 5.000 3.817 2.717 4.996 . 0 0 "[ . 1 . 2]" 1
666 1 68 PRO HG2 1 69 THR MG . . 5.000 3.461 2.463 5.014 0.014 3 0 "[ . 1 . 2]" 1
667 1 70 GLY H 1 74 LEU MD2 . . 5.000 4.127 3.350 4.890 . 0 0 "[ . 1 . 2]" 1
668 1 70 GLY HA3 1 74 LEU MD2 . . 3.300 2.527 1.977 3.304 0.004 12 0 "[ . 1 . 2]" 1
669 1 70 GLY HA2 1 74 LEU MD2 . . 5.000 4.051 3.444 4.842 . 0 0 "[ . 1 . 2]" 1
670 1 70 GLY H 1 75 LYS QE . . 5.000 4.282 3.401 5.000 . 7 0 "[ . 1 . 2]" 1
671 1 71 SER H 1 71 SER HB3 . . 2.700 2.618 2.368 2.708 0.008 5 0 "[ . 1 . 2]" 1
672 1 71 SER HB2 1 72 GLU H . . 2.700 2.289 2.096 2.493 . 0 0 "[ . 1 . 2]" 1
673 1 71 SER H 1 74 LEU MD2 . . 5.000 3.815 2.963 4.516 . 0 0 "[ . 1 . 2]" 1
674 1 71 SER H 1 74 LEU QB . . 5.000 2.528 2.105 3.268 . 0 0 "[ . 1 . 2]" 1
675 1 74 LEU H 1 74 LEU QB . . 2.700 2.280 2.202 2.388 . 0 0 "[ . 1 . 2]" 1
676 1 74 LEU HA 1 74 LEU HG . . 2.700 2.495 2.309 2.727 0.027 4 0 "[ . 1 . 2]" 1
677 1 74 LEU HG 1 78 PHE H . . 5.000 4.430 3.520 5.013 0.013 15 0 "[ . 1 . 2]" 1
678 1 35 TRP HH2 1 76 SER QB . . 3.300 2.331 1.961 2.969 . 0 0 "[ . 1 . 2]" 1
679 1 77 LEU HA 1 77 LEU MD1 . . 2.700 2.252 2.047 2.542 . 0 0 "[ . 1 . 2]" 1
680 1 77 LEU QB 1 78 PHE H . . 3.300 2.539 2.393 2.778 . 0 0 "[ . 1 . 2]" 1
681 1 77 LEU HG 1 81 VAL MG2 . . 3.300 2.181 1.942 2.825 . 0 0 "[ . 1 . 2]" 1
682 1 77 LEU MD1 1 81 VAL MG2 . . 3.300 2.258 1.865 2.520 . 0 0 "[ . 1 . 2]" 1
683 1 78 PHE HE2 1 100 LYS QG . . 5.000 4.564 3.531 5.008 0.008 19 0 "[ . 1 . 2]" 1
684 1 78 PHE HD2 1 100 LYS QG . . 5.000 4.675 4.005 5.006 0.006 18 0 "[ . 1 . 2]" 1
685 1 79 ASN HA 1 96 THR MG . . 5.000 4.068 3.625 4.502 . 0 0 "[ . 1 . 2]" 1
686 1 79 ASN QB 1 96 THR MG . . 3.300 2.596 2.019 3.309 0.009 7 0 "[ . 1 . 2]" 1
687 1 79 ASN HA 1 100 LYS QG . . 3.300 2.886 2.585 3.298 . 0 0 "[ . 1 . 2]" 1
688 1 80 THR HA 1 80 THR MG . . 2.700 2.295 2.230 2.377 . 0 0 "[ . 1 . 2]" 1
689 1 80 THR H 1 80 THR HB . . 2.700 2.584 2.526 2.680 . 0 0 "[ . 1 . 2]" 1
690 1 80 THR HB 1 81 VAL H . . 2.700 2.602 2.278 2.718 0.018 2 0 "[ . 1 . 2]" 1
691 1 81 VAL HA 1 81 VAL MG2 . . 2.700 2.348 2.272 2.427 . 0 0 "[ . 1 . 2]" 1
692 1 81 VAL H 1 81 VAL HB . . 2.700 2.577 2.503 2.644 . 0 0 "[ . 1 . 2]" 1
693 1 81 VAL HB 1 82 CYS H . . 3.300 2.821 2.360 2.957 . 0 0 "[ . 1 . 2]" 1
694 1 81 VAL MG1 1 82 CYS H . . 5.000 3.622 3.201 3.795 . 0 0 "[ . 1 . 2]" 1
695 1 82 CYS QB 1 99 ALA MB . . 5.000 3.076 2.371 4.310 . 0 0 "[ . 1 . 2]" 1
696 1 82 CYS QB 1 100 LYS HA . . 5.000 2.820 2.457 3.713 . 0 0 "[ . 1 . 2]" 1
697 1 82 CYS HA 1 103 VAL MG2 . . 2.700 2.595 2.073 2.727 0.027 17 0 "[ . 1 . 2]" 1
698 1 82 CYS QB 1 103 VAL MG2 . . 3.300 2.174 1.917 3.306 0.006 5 0 "[ . 1 . 2]" 1
699 1 82 CYS QB 1 103 VAL MG1 . . 5.000 3.308 2.610 4.064 . 0 0 "[ . 1 . 2]" 1
700 1 83 VAL H 1 83 VAL HB . . 2.700 2.478 2.435 2.522 . 0 0 "[ . 1 . 2]" 1
701 1 83 VAL H 1 83 VAL MG2 . . 3.300 2.453 2.316 2.599 . 0 0 "[ . 1 . 2]" 1
702 1 83 VAL HA 1 83 VAL MG2 . . 2.700 2.281 2.222 2.332 . 0 0 "[ . 1 . 2]" 1
703 1 83 VAL HA 1 83 VAL MG1 . . 2.700 2.384 2.310 2.427 . 0 0 "[ . 1 . 2]" 1
704 1 83 VAL HB 1 84 ILE H . . 2.700 2.518 2.156 2.751 0.051 7 0 "[ . 1 . 2]" 1
705 1 83 VAL MG1 1 87 ILE MG . . 5.000 4.972 4.784 5.040 0.040 16 0 "[ . 1 . 2]" 1
706 1 83 VAL MG1 1 93 VAL MG2 . . 5.000 3.032 2.622 3.422 . 0 0 "[ . 1 . 2]" 1
707 1 83 VAL HA 1 93 VAL MG2 . . 5.000 3.663 3.208 4.336 . 0 0 "[ . 1 . 2]" 1
708 1 83 VAL MG2 1 96 THR HA . . 2.700 2.643 2.360 2.727 0.027 18 0 "[ . 1 . 2]" 1
709 1 83 VAL MG2 1 96 THR MG . . 2.700 2.506 2.201 2.716 0.016 12 0 "[ . 1 . 2]" 1
710 1 83 VAL MG2 1 99 ALA MB . . 3.300 2.132 1.912 2.339 . 0 0 "[ . 1 . 2]" 1
711 1 83 VAL H 1 99 ALA MB . . 5.000 3.857 3.476 4.371 . 0 0 "[ . 1 . 2]" 1
712 1 83 VAL HA 1 99 ALA MB . . 2.700 2.607 2.374 2.728 0.028 5 0 "[ . 1 . 2]" 1
713 1 84 ILE HA 1 84 ILE MD . . 3.300 2.041 1.970 2.190 . 0 0 "[ . 1 . 2]" 1
714 1 84 ILE H 1 84 ILE HB . . 2.700 2.604 2.529 2.656 . 0 0 "[ . 1 . 2]" 1
715 1 84 ILE H 1 84 ILE QG . . 2.700 1.965 1.907 2.086 . 0 0 "[ . 1 . 2]" 1
716 1 84 ILE HB 1 85 TRP H . . 3.300 2.385 2.128 2.695 . 0 0 "[ . 1 . 2]" 1
717 1 84 ILE MG 1 88 HIS HD2 . . 2.700 2.617 2.454 2.714 0.014 6 0 "[ . 1 . 2]" 1
718 1 85 TRP H 1 85 TRP HB2 . . 2.700 2.480 2.432 2.535 . 0 0 "[ . 1 . 2]" 1
719 1 85 TRP H 1 85 TRP HB3 . . 2.700 2.587 2.531 2.648 . 0 0 "[ . 1 . 2]" 1
720 1 85 TRP HE3 1 86 CYS HA . . 2.700 2.332 2.170 2.609 . 0 0 "[ . 1 . 2]" 1
721 1 85 TRP HB3 1 86 CYS H . . 2.700 2.491 2.388 2.594 . 0 0 "[ . 1 . 2]" 1
722 1 85 TRP HA 1 88 HIS HD2 . . 3.300 2.322 1.996 2.914 . 0 0 "[ . 1 . 2]" 1
723 1 85 TRP QB 1 103 VAL MG2 . . 5.000 3.135 2.805 3.384 . 0 0 "[ . 1 . 2]" 1
724 1 85 TRP HE3 1 103 VAL MG2 . . 2.700 2.695 2.537 2.721 0.021 8 0 "[ . 1 . 2]" 1
725 1 85 TRP HZ3 1 103 VAL MG2 . . 5.000 3.491 3.219 3.731 . 0 0 "[ . 1 . 2]" 1
726 1 86 CYS HB3 1 91 GLU QB . . 5.000 2.402 2.182 2.591 . 0 0 "[ . 1 . 2]" 1
727 1 86 CYS HA 1 91 GLU QB . . 3.300 2.239 2.018 2.708 . 0 0 "[ . 1 . 2]" 1
728 1 86 CYS HB3 1 91 GLU H . . 5.000 3.885 3.658 4.354 . 0 0 "[ . 1 . 2]" 1
729 1 86 CYS HA 1 91 GLU H . . 5.000 3.589 3.077 4.192 . 0 0 "[ . 1 . 2]" 1
730 1 86 CYS HB3 1 93 VAL MG1 . . 5.000 3.434 2.892 3.879 . 0 0 "[ . 1 . 2]" 1
731 1 86 CYS HB2 1 99 ALA MB . . 5.000 3.648 3.365 3.914 . 0 0 "[ . 1 . 2]" 1
732 1 86 CYS HA 1 103 VAL MG2 . . 5.000 4.070 3.712 4.391 . 0 0 "[ . 1 . 2]" 1
733 1 86 CYS H 1 103 VAL MG2 . . 5.000 3.653 3.419 4.007 . 0 0 "[ . 1 . 2]" 1
734 1 87 ILE HA 1 87 ILE QG . . 2.700 2.445 2.404 2.463 . 0 0 "[ . 1 . 2]" 1
735 1 87 ILE HA 1 87 ILE MG . . 2.700 2.334 2.294 2.388 . 0 0 "[ . 1 . 2]" 1
736 1 87 ILE H 1 87 ILE HG13 . . 2.700 1.991 1.930 2.135 . 0 0 "[ . 1 . 2]" 1
737 1 87 ILE H 1 87 ILE HB . . 2.700 2.601 2.555 2.638 . 0 0 "[ . 1 . 2]" 1
738 1 87 ILE HB 1 88 HIS H . . 2.700 2.742 2.699 2.803 0.103 3 0 "[ . 1 . 2]" 1
739 1 88 HIS HB2 1 88 HIS HD2 . . 3.300 2.706 2.689 2.748 . 0 0 "[ . 1 . 2]" 1
740 1 53 LYS QD 1 89 ALA HA . . 2.900 2.725 2.159 2.923 0.023 17 0 "[ . 1 . 2]" 1
741 1 53 LYS QE 1 89 ALA HA . . 3.300 3.073 1.999 3.313 0.013 11 0 "[ . 1 . 2]" 1
742 1 85 TRP HH2 1 89 ALA MB . . 3.300 2.844 2.714 3.003 . 0 0 "[ . 1 . 2]" 1
743 1 85 TRP HZ2 1 89 ALA MB . . 3.300 3.300 3.168 3.340 0.040 19 0 "[ . 1 . 2]" 1
744 1 85 TRP HZ3 1 89 ALA MB . . 3.300 2.806 2.618 3.020 . 0 0 "[ . 1 . 2]" 1
745 1 85 TRP HE3 1 89 ALA MB . . 3.300 3.310 3.205 3.334 0.034 5 0 "[ . 1 . 2]" 1
746 1 89 ALA MB 1 91 GLU QB . . 3.300 3.167 2.870 3.369 0.069 15 0 "[ . 1 . 2]" 1
747 1 89 ALA MB 1 91 GLU QG . . 2.700 2.484 1.996 2.734 0.034 15 0 "[ . 1 . 2]" 1
748 1 87 ILE HA 1 90 GLU HA . . 5.000 4.288 4.122 4.423 . 0 0 "[ . 1 . 2]" 1
749 1 91 GLU H 1 91 GLU QB . . 3.300 2.334 2.170 2.499 . 0 0 "[ . 1 . 2]" 1
750 1 91 GLU HA 1 93 VAL MG1 . . 5.000 4.908 4.670 5.014 0.014 18 0 "[ . 1 . 2]" 1
751 1 91 GLU QB 1 93 VAL MG1 . . 5.000 3.254 3.015 3.505 . 0 0 "[ . 1 . 2]" 1
752 1 91 GLU QB 1 102 ILE MG . . 3.300 3.057 2.653 3.317 0.017 19 0 "[ . 1 . 2]" 1
753 1 91 GLU QB 1 102 ILE MD . . 3.300 3.162 2.764 3.308 0.008 9 0 "[ . 1 . 2]" 1
754 1 91 GLU QG 1 102 ILE MG . . 3.300 3.008 2.543 3.304 0.004 5 0 "[ . 1 . 2]" 1
755 1 91 GLU QG 1 102 ILE MD . . 5.000 4.280 3.873 4.500 . 0 0 "[ . 1 . 2]" 1
756 1 93 VAL H 1 93 VAL MG1 . . 3.300 2.954 2.750 3.154 . 0 0 "[ . 1 . 2]" 1
757 1 93 VAL H 1 93 VAL MG2 . . 2.700 2.090 1.963 2.229 . 0 0 "[ . 1 . 2]" 1
758 1 93 VAL HA 1 93 VAL HB . . 2.700 2.453 2.409 2.516 . 0 0 "[ . 1 . 2]" 1
759 1 93 VAL HB 1 94 LYS H . . 3.300 2.780 1.880 3.166 . 0 0 "[ . 1 . 2]" 1
760 1 93 VAL HB 1 95 ASP H . . 3.300 3.269 3.064 3.383 0.083 10 0 "[ . 1 . 2]" 1
761 1 93 VAL MG2 1 95 ASP H . . 5.000 3.756 3.143 4.187 . 0 0 "[ . 1 . 2]" 1
762 1 93 VAL HB 1 99 ALA MB . . 5.000 3.091 2.567 3.561 . 0 0 "[ . 1 . 2]" 1
763 1 93 VAL HB 1 99 ALA H . . 3.300 3.209 3.031 3.365 0.065 10 0 "[ . 1 . 2]" 1
764 1 93 VAL HB 1 99 ALA HA . . 5.000 3.437 2.912 3.798 . 0 0 "[ . 1 . 2]" 1
765 1 93 VAL MG1 1 99 ALA HA . . 2.700 1.908 1.879 1.948 . 0 0 "[ . 1 . 2]" 1
766 1 93 VAL MG1 1 99 ALA MB . . 3.300 2.162 1.921 2.654 . 0 0 "[ . 1 . 2]" 1
767 1 93 VAL MG2 1 99 ALA MB . . 2.700 2.039 1.866 2.432 . 0 0 "[ . 1 . 2]" 1
768 1 93 VAL MG1 1 102 ILE MD . . 2.700 1.846 1.781 2.114 . 0 0 "[ . 1 . 2]" 1
769 1 95 ASP H 1 95 ASP HB3 . . 3.300 3.330 3.278 3.407 0.107 17 0 "[ . 1 . 2]" 1
770 1 95 ASP HA 1 95 ASP HB2 . . 2.700 2.527 2.503 2.577 . 0 0 "[ . 1 . 2]" 1
771 1 95 ASP HA 1 95 ASP HB3 . . 2.700 2.387 2.346 2.406 . 0 0 "[ . 1 . 2]" 1
772 1 95 ASP HB2 1 96 THR H . . 3.300 2.612 2.421 2.764 . 0 0 "[ . 1 . 2]" 1
773 1 95 ASP HB2 1 97 GLU H . . 3.300 2.954 2.579 3.258 . 0 0 "[ . 1 . 2]" 1
774 1 96 THR HB 1 97 GLU H . . 3.300 2.523 2.280 3.016 . 0 0 "[ . 1 . 2]" 1
775 1 99 ALA H 1 99 ALA MB . . 2.700 2.088 2.030 2.240 . 0 0 "[ . 1 . 2]" 1
776 1 100 LYS HA 1 100 LYS QB . . 2.700 2.510 2.447 2.536 . 0 0 "[ . 1 . 2]" 1
777 1 102 ILE H 1 102 ILE HB . . 2.700 2.505 2.439 2.589 . 0 0 "[ . 1 . 2]" 1
778 1 102 ILE H 1 102 ILE HG13 . . 2.700 2.208 2.000 2.315 . 0 0 "[ . 1 . 2]" 1
779 1 102 ILE HA 1 102 ILE HG12 . . 2.700 2.525 2.475 2.587 . 0 0 "[ . 1 . 2]" 1
780 1 102 ILE HB 1 102 ILE HG13 . . 2.700 2.479 2.442 2.518 . 0 0 "[ . 1 . 2]" 1
781 1 103 VAL HB 1 104 ARG H . . 3.300 2.474 2.313 2.579 . 0 0 "[ . 1 . 2]" 1
782 1 103 VAL MG1 1 104 ARG H . . 3.300 3.286 3.142 3.314 0.014 13 0 "[ . 1 . 2]" 1
783 1 103 VAL MG1 1 107 LEU MD1 . . 2.700 2.301 1.981 2.703 0.003 12 0 "[ . 1 . 2]" 1
784 1 103 VAL MG1 1 107 LEU QB . . 5.000 4.137 3.834 4.507 . 0 0 "[ . 1 . 2]" 1
785 1 104 ARG QG 1 108 VAL MG2 . . 3.300 2.478 1.934 3.148 . 0 0 "[ . 1 . 2]" 1
786 1 102 ILE MG 1 106 HIS HD2 . . 2.700 2.544 2.199 2.702 0.002 6 0 "[ . 1 . 2]" 1
787 1 106 HIS H 1 106 HIS HB2 . . 2.700 2.344 2.274 2.414 . 0 0 "[ . 1 . 2]" 1
788 1 106 HIS HA 1 106 HIS HB3 . . 2.700 2.561 2.505 2.601 . 0 0 "[ . 1 . 2]" 1
789 1 106 HIS HB2 1 106 HIS HD2 . . 3.300 2.738 2.689 2.828 . 0 0 "[ . 1 . 2]" 1
790 1 107 LEU HA 1 107 LEU MD2 . . 2.700 2.232 2.004 2.511 . 0 0 "[ . 1 . 2]" 1
791 1 107 LEU H 1 107 LEU HG . . 2.700 2.520 2.237 2.695 . 0 0 "[ . 1 . 2]" 1
792 1 111 THR HA 1 111 THR MG . . 2.700 2.225 2.019 2.372 . 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 12
_Distance_constraint_stats_list.Viol_count 106
_Distance_constraint_stats_list.Viol_total 1696.828
_Distance_constraint_stats_list.Viol_max 2.213
_Distance_constraint_stats_list.Viol_rms 0.7757
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3535
_Distance_constraint_stats_list.Viol_average_violations_only 0.8004
_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 20 LEU 0.001 0.001 7 0 "[ . 1 . 2]"
1 26 LYS 0.001 0.001 7 0 "[ . 1 . 2]"
1 28 TYR 0.344 0.041 20 0 "[ . 1 . 2]"
1 29 ARG 0.649 0.053 7 0 "[ . 1 . 2]"
1 32 HIS 0.649 0.053 7 0 "[ . 1 . 2]"
1 52 SER 0.168 0.038 13 0 "[ . 1 . 2]"
1 55 GLY 0.168 0.038 13 0 "[ . 1 . 2]"
1 91 GLU 83.196 2.213 12 20 [**********-+********]
1 95 ASP 0.484 0.056 16 0 "[ . 1 . 2]"
1 96 THR 0.344 0.041 20 0 "[ . 1 . 2]"
1 98 GLY 0.484 0.056 16 0 "[ . 1 . 2]"
1 106 HIS 83.196 2.213 12 20 [**********-+********]
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 LEU H 1 26 LYS O . . 2.000 1.858 1.795 2.001 0.001 7 0 "[ . 1 . 2]" 2
2 1 20 LEU N 1 26 LYS O . . 3.000 2.786 2.731 2.924 . 0 0 "[ . 1 . 2]" 2
3 1 28 TYR OH 1 96 THR HG1 . . 2.000 2.017 1.999 2.041 0.041 20 0 "[ . 1 . 2]" 2
4 1 28 TYR OH 1 96 THR OG1 . . 3.000 2.907 2.685 2.985 . 0 0 "[ . 1 . 2]" 2
5 1 29 ARG H 1 32 HIS ND1 . . 2.000 2.032 2.014 2.053 0.053 7 0 "[ . 1 . 2]" 2
6 1 29 ARG N 1 32 HIS ND1 . . 3.000 2.920 2.908 2.934 . 0 0 "[ . 1 . 2]" 2
7 1 52 SER OG 1 55 GLY H . . 2.000 1.995 1.934 2.038 0.038 13 0 "[ . 1 . 2]" 2
8 1 52 SER OG 1 55 GLY N . . 3.000 2.874 2.705 2.995 . 0 0 "[ . 1 . 2]" 2
9 1 91 GLU OE1 1 106 HIS HE2 . . 2.000 4.088 3.872 4.213 2.213 12 20 [**********-+********] 2
10 1 91 GLU OE1 1 106 HIS NE2 . . 3.000 5.072 4.855 5.177 2.177 12 20 [**********-+********] 2
11 1 95 ASP OD1 1 98 GLY H . . 2.000 1.989 1.792 2.056 0.056 16 0 "[ . 1 . 2]" 2
12 1 95 ASP OD1 1 98 GLY N . . 3.000 2.753 2.688 2.929 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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