NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | in_recoord | in_dress | stage | program | type | subtype | subsubtype |
|
|
374938 |
1eo1   |
cing | recoord | dress | 4-filtered-FRED | Wattos | check | violation | distance |
data_1eo1
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 402
_Distance_constraint_stats_list.Viol_count 332
_Distance_constraint_stats_list.Viol_total 782.826
_Distance_constraint_stats_list.Viol_max 2.987
_Distance_constraint_stats_list.Viol_rms 0.0827
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0049
_Distance_constraint_stats_list.Viol_average_violations_only 0.1179
_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 MET 27.810 2.987 17 14 "[ *** *** * **-+***]"
1 2 LYS 0.057 0.034 4 0 "[ . 1 . 2]"
1 3 ILE 0.026 0.020 5 0 "[ . 1 . 2]"
1 4 ALA 1.321 0.168 12 0 "[ . 1 . 2]"
1 5 ILE 0.047 0.016 14 0 "[ . 1 . 2]"
1 6 ALA 0.094 0.016 5 0 "[ . 1 . 2]"
1 7 SER 0.116 0.034 20 0 "[ . 1 . 2]"
1 8 SER 0.026 0.025 20 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 THR 0.002 0.001 16 0 "[ . 1 . 2]"
1 11 ASP 0.041 0.023 3 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 SER 0.504 0.101 16 0 "[ . 1 . 2]"
1 15 GLU 0.861 0.104 8 0 "[ . 1 . 2]"
1 16 VAL 0.618 0.104 8 0 "[ . 1 . 2]"
1 17 SER 0.061 0.025 20 0 "[ . 1 . 2]"
1 18 ARG 0.020 0.020 5 0 "[ . 1 . 2]"
1 19 PHE 0.020 0.020 5 0 "[ . 1 . 2]"
1 20 PHE 0.009 0.009 1 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 TYR 0.583 0.072 11 0 "[ . 1 . 2]"
1 26 PHE 0.480 0.072 11 0 "[ . 1 . 2]"
1 27 MET 0.022 0.016 14 0 "[ . 1 . 2]"
1 28 ILE 0.560 0.140 20 0 "[ . 1 . 2]"
1 29 VAL 0.064 0.044 4 0 "[ . 1 . 2]"
1 30 GLU 0.111 0.034 4 0 "[ . 1 . 2]"
1 31 MET 27.871 2.987 17 14 "[ *** *** * **-+***]"
1 32 LYS 0.048 0.020 17 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.043 0.021 17 0 "[ . 1 . 2]"
1 36 ILE 0.106 0.021 17 0 "[ . 1 . 2]"
1 37 GLU 0.019 0.008 18 0 "[ . 1 . 2]"
1 38 SER 0.088 0.018 16 0 "[ . 1 . 2]"
1 39 SER 0.353 0.046 1 0 "[ . 1 . 2]"
1 40 GLU 0.209 0.046 1 0 "[ . 1 . 2]"
1 41 VAL 0.005 0.005 5 0 "[ . 1 . 2]"
1 42 ILE 0.026 0.019 19 0 "[ . 1 . 2]"
1 43 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ASN 0.027 0.012 16 0 "[ . 1 . 2]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.046 0.046 9 0 "[ . 1 . 2]"
1 59 GLN 0.007 0.006 5 0 "[ . 1 . 2]"
1 60 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ILE 0.280 0.104 5 0 "[ . 1 . 2]"
1 62 ALA 0.510 0.166 17 0 "[ . 1 . 2]"
1 63 ASN 0.007 0.006 5 0 "[ . 1 . 2]"
1 64 ASN 0.001 0.001 4 0 "[ . 1 . 2]"
1 65 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 3.243 0.168 12 0 "[ . 1 . 2]"
1 67 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 ALA 2.080 0.129 11 0 "[ . 1 . 2]"
1 69 VAL 0.213 0.082 19 0 "[ . 1 . 2]"
1 70 ILE 0.105 0.016 5 0 "[ . 1 . 2]"
1 71 ALA 0.692 0.094 14 0 "[ . 1 . 2]"
1 72 SER 0.657 0.094 14 0 "[ . 1 . 2]"
1 73 SER 0.002 0.002 20 0 "[ . 1 . 2]"
1 74 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 ASN 0.008 0.008 20 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PHE 0.061 0.055 16 0 "[ . 1 . 2]"
1 80 GLU 0.013 0.008 20 0 "[ . 1 . 2]"
1 81 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 LEU 0.143 0.085 19 0 "[ . 1 . 2]"
1 83 ASN 0.005 0.005 14 0 "[ . 1 . 2]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 LEU 0.201 0.069 10 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ILE 0.635 0.166 17 0 "[ . 1 . 2]"
1 88 LYS 0.076 0.024 8 0 "[ . 1 . 2]"
1 89 ILE 0.164 0.055 16 0 "[ . 1 . 2]"
1 90 TYR 0.041 0.021 2 0 "[ . 1 . 2]"
1 91 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ALA 0.122 0.036 18 0 "[ . 1 . 2]"
1 93 THR 0.064 0.029 16 0 "[ . 1 . 2]"
1 94 GLY 0.145 0.029 16 0 "[ . 1 . 2]"
1 95 THR 0.063 0.025 2 0 "[ . 1 . 2]"
1 96 SER 0.115 0.028 15 0 "[ . 1 . 2]"
1 97 VAL 0.063 0.025 8 0 "[ . 1 . 2]"
1 98 GLU 0.020 0.013 14 0 "[ . 1 . 2]"
1 99 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 100 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 LEU 0.033 0.014 12 0 "[ . 1 . 2]"
1 102 LYS 0.043 0.014 12 0 "[ . 1 . 2]"
1 103 LEU 0.301 0.122 16 0 "[ . 1 . 2]"
1 104 PHE 0.218 0.041 10 0 "[ . 1 . 2]"
1 105 THR 0.026 0.016 2 0 "[ . 1 . 2]"
1 106 GLU 0.004 0.002 8 0 "[ . 1 . 2]"
1 107 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ASN 0.300 0.122 16 0 "[ . 1 . 2]"
1 109 LEU 0.220 0.041 10 0 "[ . 1 . 2]"
1 110 GLU 0.021 0.021 2 0 "[ . 1 . 2]"
1 111 GLU 2.504 0.433 19 0 "[ . 1 . 2]"
1 112 ILE 2.586 0.433 19 0 "[ . 1 . 2]"
1 113 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 2 LYS HA 1 3 ILE H 1.800 . 2.500 2.274 2.190 2.436 . 0 0 "[ . 1 . 2]" 1
2 1 3 ILE HA 1 4 ALA H 1.800 . 2.500 2.203 2.179 2.247 . 0 0 "[ . 1 . 2]" 1
3 1 4 ALA HA 1 5 ILE H 1.800 . 2.500 2.236 2.191 2.515 0.015 20 0 "[ . 1 . 2]" 1
4 1 5 ILE HA 1 6 ALA H 1.800 . 2.500 2.207 2.184 2.258 . 0 0 "[ . 1 . 2]" 1
5 1 6 ALA HA 1 7 SER H 1.800 . 2.500 2.316 2.201 2.510 0.010 12 0 "[ . 1 . 2]" 1
6 1 25 TYR HA 1 26 PHE H 1.800 . 2.500 2.489 2.427 2.516 0.016 20 0 "[ . 1 . 2]" 1
7 1 26 PHE HA 1 27 MET H 1.800 . 2.500 2.209 2.188 2.330 . 0 0 "[ . 1 . 2]" 1
8 1 27 MET HA 1 28 ILE H 1.800 . 2.500 2.218 2.180 2.396 . 0 0 "[ . 1 . 2]" 1
9 1 28 ILE HA 1 29 VAL H 1.800 . 2.500 2.205 2.185 2.247 . 0 0 "[ . 1 . 2]" 1
10 1 29 VAL HA 1 30 GLU H 1.800 . 2.500 2.230 2.190 2.392 . 0 0 "[ . 1 . 2]" 1
11 1 30 GLU HA 1 31 MET H 1.800 . 2.500 2.286 2.190 2.511 0.011 20 0 "[ . 1 . 2]" 1
12 1 31 MET HA 1 32 LYS H 1.800 . 2.500 2.282 2.196 2.472 . 0 0 "[ . 1 . 2]" 1
13 1 35 ASN HA 1 36 ILE H 1.800 . 2.500 2.242 2.186 2.359 . 0 0 "[ . 1 . 2]" 1
14 1 36 ILE HA 1 37 GLU H 1.800 . 2.500 2.204 2.183 2.250 . 0 0 "[ . 1 . 2]" 1
15 1 38 SER HA 1 39 SER H 1.800 . 2.500 2.204 2.187 2.264 . 0 0 "[ . 1 . 2]" 1
16 1 39 SER HA 1 40 GLU H 1.800 . 2.500 2.213 2.192 2.243 . 0 0 "[ . 1 . 2]" 1
17 1 41 VAL HA 1 42 ILE H 1.800 . 2.500 2.254 2.189 2.455 . 0 0 "[ . 1 . 2]" 1
18 1 42 ILE HA 1 43 GLU H 1.800 . 2.500 2.252 2.186 2.401 . 0 0 "[ . 1 . 2]" 1
19 1 66 VAL HA 1 67 LYS H 1.800 . 3.000 2.277 2.232 2.313 . 0 0 "[ . 1 . 2]" 1
20 1 68 ALA HA 1 69 VAL H 1.800 . 2.500 2.218 2.194 2.258 . 0 0 "[ . 1 . 2]" 1
21 1 69 VAL HA 1 70 ILE H 1.800 . 2.500 2.201 2.178 2.262 . 0 0 "[ . 1 . 2]" 1
22 1 70 ILE HA 1 71 ALA H 1.800 . 2.500 2.217 2.190 2.283 . 0 0 "[ . 1 . 2]" 1
23 1 71 ALA HA 1 72 SER H 1.800 . 2.500 2.532 2.483 2.594 0.094 14 0 "[ . 1 . 2]" 1
24 1 72 SER HA 1 73 SER H 1.800 . 3.000 2.782 2.536 2.979 . 0 0 "[ . 1 . 2]" 1
25 1 87 ILE HA 1 88 LYS H 1.800 . 2.500 2.392 2.267 2.524 0.024 8 0 "[ . 1 . 2]" 1
26 1 88 LYS HA 1 89 ILE H 1.800 . 2.500 2.217 2.187 2.352 . 0 0 "[ . 1 . 2]" 1
27 1 89 ILE HA 1 90 TYR H 1.800 . 2.500 2.300 2.191 2.474 . 0 0 "[ . 1 . 2]" 1
28 1 90 TYR HA 1 91 ARG H 1.800 . 2.500 2.277 2.184 2.470 . 0 0 "[ . 1 . 2]" 1
29 1 91 ARG HA 1 92 ALA H 1.800 . 2.500 2.225 2.188 2.328 . 0 0 "[ . 1 . 2]" 1
30 1 92 ALA HA 1 93 THR H 1.800 . 3.000 2.263 2.188 2.547 . 0 0 "[ . 1 . 2]" 1
31 1 93 THR HA 1 94 GLY H 1.800 . 4.000 3.370 3.007 3.575 . 0 0 "[ . 1 . 2]" 1
32 1 94 GLY QA 1 95 THR H 1.800 . 4.500 2.426 2.154 2.911 . 0 0 "[ . 1 . 2]" 1
33 1 96 SER HA 1 97 VAL H 1.800 . 3.000 2.262 2.187 2.524 . 0 0 "[ . 1 . 2]" 1
34 1 109 LEU HA 1 110 GLU H 1.800 . 3.000 2.542 2.192 2.941 . 0 0 "[ . 1 . 2]" 1
35 1 110 GLU HA 1 111 GLU H 1.800 . 3.000 2.592 2.183 3.021 0.021 2 0 "[ . 1 . 2]" 1
36 1 111 GLU HA 1 112 ILE H 1.800 . 3.000 2.727 2.204 3.433 0.433 19 0 "[ . 1 . 2]" 1
37 1 112 ILE HA 1 113 ARG H 1.800 . 3.000 2.230 2.187 2.321 . 0 0 "[ . 1 . 2]" 1
38 1 36 ILE HA 1 38 SER H 1.800 . 4.000 3.567 3.256 3.743 . 0 0 "[ . 1 . 2]" 1
39 1 63 ASN HA 1 65 GLY H 1.800 . 4.000 3.599 3.302 3.996 . 0 0 "[ . 1 . 2]" 1
40 1 66 VAL HA 1 68 ALA H 1.800 . 3.000 3.097 3.063 3.129 0.129 11 0 "[ . 1 . 2]" 1
41 1 92 ALA HA 1 94 GLY H 1.800 . 4.000 3.675 3.326 4.018 0.018 15 0 "[ . 1 . 2]" 1
42 1 55 ILE HA 1 58 ALA H 1.800 . 4.000 3.736 3.552 3.981 . 0 0 "[ . 1 . 2]" 1
43 1 56 ARG HA 1 59 GLN H 1.800 . 4.000 3.767 3.475 3.980 . 0 0 "[ . 1 . 2]" 1
44 1 57 THR HA 1 60 ILE H 1.800 . 4.000 3.283 3.007 3.497 . 0 0 "[ . 1 . 2]" 1
45 1 58 ALA HA 1 61 ILE H 1.800 . 4.000 3.378 3.009 3.840 . 0 0 "[ . 1 . 2]" 1
46 1 59 GLN HA 1 62 ALA H 1.800 . 4.000 3.566 3.264 3.824 . 0 0 "[ . 1 . 2]" 1
47 1 60 ILE HA 1 63 ASN H 1.800 . 4.000 3.380 2.977 3.801 . 0 0 "[ . 1 . 2]" 1
48 1 61 ILE HA 1 64 ASN H 1.800 . 4.000 3.613 3.332 3.896 . 0 0 "[ . 1 . 2]" 1
49 1 76 PRO HA 1 79 PHE H 1.800 . 4.000 3.347 2.974 3.613 . 0 0 "[ . 1 . 2]" 1
50 1 77 ASN HA 1 80 GLU H 1.800 . 4.000 3.675 3.489 4.008 0.008 20 0 "[ . 1 . 2]" 1
51 1 78 ALA HA 1 81 VAL H 1.800 . 4.000 3.434 3.106 3.857 . 0 0 "[ . 1 . 2]" 1
52 1 80 GLU HA 1 83 ASN H 1.800 . 4.000 3.716 3.344 4.005 0.005 14 0 "[ . 1 . 2]" 1
53 1 81 VAL HA 1 84 GLU H 1.800 . 4.000 3.413 3.083 3.835 . 0 0 "[ . 1 . 2]" 1
54 1 82 LEU HA 1 85 LEU H 1.800 . 4.000 3.443 3.165 3.710 . 0 0 "[ . 1 . 2]" 1
55 1 97 VAL HA 1 100 ASN H 1.800 . 4.000 3.342 3.117 3.610 . 0 0 "[ . 1 . 2]" 1
56 1 98 GLU HA 1 101 LEU H 1.800 . 4.000 3.724 3.280 3.933 . 0 0 "[ . 1 . 2]" 1
57 1 100 ASN HA 1 103 LEU H 1.800 . 4.000 3.290 3.106 3.482 . 0 0 "[ . 1 . 2]" 1
58 1 102 LYS HA 1 105 THR H 1.800 . 4.000 3.438 3.153 3.784 . 0 0 "[ . 1 . 2]" 1
59 1 59 GLN HA 1 63 ASN H 1.800 . 5.000 4.622 4.242 5.006 0.006 5 0 "[ . 1 . 2]" 1
60 1 97 VAL HA 1 101 LEU H 1.800 . 5.000 4.085 3.833 4.286 . 0 0 "[ . 1 . 2]" 1
61 1 10 THR HB 1 11 ASP H 1.800 . 4.000 3.252 2.008 4.001 0.001 16 0 "[ . 1 . 2]" 1
62 1 11 ASP QB 1 12 LEU H 1.800 . 5.000 2.190 1.818 2.659 . 0 0 "[ . 1 . 2]" 1
63 1 15 GLU QB 1 16 VAL H 1.800 . 5.000 3.267 1.805 4.091 . 0 0 "[ . 1 . 2]" 1
64 1 24 PRO QB 1 25 TYR H 1.800 . 5.000 3.986 3.658 4.023 . 0 0 "[ . 1 . 2]" 1
65 1 39 SER QB 1 40 GLU H 1.800 . 4.000 3.570 3.477 3.659 . 0 0 "[ . 1 . 2]" 1
66 1 58 ALA MB 1 59 GLN H 1.800 . 5.000 2.522 2.266 2.954 . 0 0 "[ . 1 . 2]" 1
67 1 61 ILE HB 1 62 ALA H 1.800 . 4.000 2.896 2.322 3.940 . 0 0 "[ . 1 . 2]" 1
68 1 62 ALA MB 1 63 ASN H 1.800 . 5.000 2.747 2.421 3.034 . 0 0 "[ . 1 . 2]" 1
69 1 63 ASN QB 1 64 ASN H 1.800 . 5.000 3.254 3.009 3.523 . 0 0 "[ . 1 . 2]" 1
70 1 79 PHE QB 1 80 GLU H 1.800 . 5.000 2.890 2.482 3.086 . 0 0 "[ . 1 . 2]" 1
71 1 83 ASN QB 1 84 GLU H 1.800 . 5.000 2.652 2.240 3.716 . 0 0 "[ . 1 . 2]" 1
72 1 93 THR HB 1 94 GLY H 1.800 . 4.000 3.639 2.653 4.029 0.029 16 0 "[ . 1 . 2]" 1
73 1 95 THR HB 1 96 SER H 1.800 . 4.000 2.619 1.874 4.020 0.020 2 0 "[ . 1 . 2]" 1
74 1 96 SER QB 1 97 VAL H 1.800 . 4.000 3.216 2.392 3.678 . 0 0 "[ . 1 . 2]" 1
75 1 97 VAL HB 1 98 GLU H 1.800 . 4.000 3.528 2.426 4.013 0.013 14 0 "[ . 1 . 2]" 1
76 1 99 GLU QB 1 100 ASN H 1.800 . 5.000 2.649 2.123 3.109 . 0 0 "[ . 1 . 2]" 1
77 1 104 PHE QB 1 105 THR H 1.800 . 5.000 2.803 2.322 3.280 . 0 0 "[ . 1 . 2]" 1
78 1 105 THR HB 1 106 GLU H 1.800 . 4.000 2.852 2.365 3.250 . 0 0 "[ . 1 . 2]" 1
79 1 106 GLU QB 1 107 GLY H 1.800 . 4.000 3.291 2.526 3.580 . 0 0 "[ . 1 . 2]" 1
80 1 110 GLU QB 1 111 GLU H 1.800 . 5.000 2.960 1.849 3.966 . 0 0 "[ . 1 . 2]" 1
81 1 11 ASP QB 1 13 GLY H 1.800 . 5.000 3.639 2.135 4.428 . 0 0 "[ . 1 . 2]" 1
82 1 106 GLU QB 1 108 ASN H 1.800 . 6.000 3.140 2.600 4.037 . 0 0 "[ . 1 . 2]" 1
83 1 106 GLU QG 1 108 ASN H 1.800 . 6.000 4.672 2.043 5.320 . 0 0 "[ . 1 . 2]" 1
84 1 3 ILE MG 1 4 ALA H 1.800 . 5.000 2.928 2.432 3.265 . 0 0 "[ . 1 . 2]" 1
85 1 15 GLU QG 1 16 VAL H 1.800 . 5.000 3.772 1.955 4.531 . 0 0 "[ . 1 . 2]" 1
86 1 57 THR MG 1 58 ALA H 1.800 . 5.000 2.712 1.940 3.876 . 0 0 "[ . 1 . 2]" 1
87 1 61 ILE MG 1 62 ALA H 1.800 . 5.000 3.576 3.205 4.140 . 0 0 "[ . 1 . 2]" 1
88 1 87 ILE MG 1 88 LYS H 1.800 . 4.000 1.953 1.779 2.427 0.021 12 0 "[ . 1 . 2]" 1
89 1 89 ILE MG 1 90 TYR H 1.800 . 4.000 2.192 1.816 3.200 . 0 0 "[ . 1 . 2]" 1
90 1 95 THR MG 1 96 SER H 1.800 . 5.000 2.855 1.838 3.920 . 0 0 "[ . 1 . 2]" 1
91 1 97 VAL QG 1 98 GLU H 1.800 . 6.400 2.360 1.818 3.390 . 0 0 "[ . 1 . 2]" 1
92 1 99 GLU QG 1 100 ASN H 1.800 . 5.000 3.864 3.327 4.492 . 0 0 "[ . 1 . 2]" 1
93 1 105 THR MG 1 106 GLU H 1.800 . 5.000 3.733 3.261 4.129 . 0 0 "[ . 1 . 2]" 1
94 1 110 GLU QG 1 111 GLU H 1.800 . 5.000 3.384 2.067 4.532 . 0 0 "[ . 1 . 2]" 1
95 1 8 SER H 1 9 GLY H 1.800 . 3.000 2.381 1.864 2.829 . 0 0 "[ . 1 . 2]" 1
96 1 12 LEU H 1 13 GLY H 1.800 . 3.000 2.403 1.874 2.851 . 0 0 "[ . 1 . 2]" 1
97 1 13 GLY H 1 14 SER H 1.800 . 3.000 2.474 1.852 2.981 . 0 0 "[ . 1 . 2]" 1
98 1 14 SER H 1 15 GLU H 1.800 . 4.000 4.008 3.890 4.101 0.101 16 0 "[ . 1 . 2]" 1
99 1 15 GLU H 1 16 VAL H 1.800 . 4.000 3.459 2.582 4.104 0.104 8 0 "[ . 1 . 2]" 1
100 1 16 VAL H 1 17 SER H 1.800 . 3.000 2.782 2.491 3.016 0.016 8 0 "[ . 1 . 2]" 1
101 1 18 ARG H 1 19 PHE H 1.800 . 3.000 2.427 1.878 3.020 0.020 5 0 "[ . 1 . 2]" 1
102 1 21 GLY H 1 22 ARG H 1.800 . 3.000 2.576 1.904 3.000 . 0 0 "[ . 1 . 2]" 1
103 1 25 TYR H 1 26 PHE H 1.800 . 3.000 3.017 2.973 3.072 0.072 11 0 "[ . 1 . 2]" 1
104 1 34 GLY H 1 35 ASN H 1.800 . 3.000 2.525 1.868 2.906 . 0 0 "[ . 1 . 2]" 1
105 1 35 ASN H 1 36 ILE H 1.800 . 4.000 3.878 3.566 4.021 0.021 17 0 "[ . 1 . 2]" 1
106 1 37 GLU H 1 38 SER H 1.800 . 3.000 2.254 1.947 2.600 . 0 0 "[ . 1 . 2]" 1
107 1 38 SER H 1 39 SER H 1.800 . 4.000 3.885 3.469 4.018 0.018 16 0 "[ . 1 . 2]" 1
108 1 39 SER H 1 40 GLU H 1.800 . 4.000 3.992 3.896 4.046 0.046 1 0 "[ . 1 . 2]" 1
109 1 46 SER H 1 47 ALA H 1.800 . 4.000 2.819 2.394 3.643 . 0 0 "[ . 1 . 2]" 1
110 1 47 ALA H 1 48 SER H 1.800 . 4.000 2.757 2.461 3.179 . 0 0 "[ . 1 . 2]" 1
111 1 56 ARG H 1 57 THR H 1.800 . 3.000 2.550 2.454 2.702 . 0 0 "[ . 1 . 2]" 1
112 1 57 THR H 1 58 ALA H 1.800 . 3.000 2.631 2.456 2.904 . 0 0 "[ . 1 . 2]" 1
113 1 58 ALA H 1 59 GLN H 1.800 . 3.000 2.852 2.680 2.993 . 0 0 "[ . 1 . 2]" 1
114 1 59 GLN H 1 60 ILE H 1.800 . 3.000 2.806 2.502 2.997 . 0 0 "[ . 1 . 2]" 1
115 1 60 ILE H 1 61 ILE H 1.800 . 3.000 2.661 2.484 2.952 . 0 0 "[ . 1 . 2]" 1
116 1 61 ILE H 1 62 ALA H 1.800 . 3.000 2.665 2.460 2.919 . 0 0 "[ . 1 . 2]" 1
117 1 62 ALA H 1 63 ASN H 1.800 . 3.000 2.573 2.457 2.727 . 0 0 "[ . 1 . 2]" 1
118 1 63 ASN H 1 64 ASN H 1.800 . 3.000 2.581 2.473 2.722 . 0 0 "[ . 1 . 2]" 1
119 1 64 ASN H 1 65 GLY H 1.800 . 3.000 2.455 2.164 2.872 . 0 0 "[ . 1 . 2]" 1
120 1 65 GLY H 1 66 VAL H 1.800 . 3.000 2.513 1.881 2.927 . 0 0 "[ . 1 . 2]" 1
121 1 67 LYS H 1 68 ALA H 1.800 . 3.000 2.459 2.387 2.569 . 0 0 "[ . 1 . 2]" 1
122 1 72 SER H 1 73 SER H 1.800 . 3.000 2.676 2.411 3.002 0.002 20 0 "[ . 1 . 2]" 1
123 1 78 ALA H 1 79 PHE H 1.800 . 3.000 2.760 2.464 2.998 . 0 0 "[ . 1 . 2]" 1
124 1 79 PHE H 1 80 GLU H 1.800 . 3.000 2.729 2.542 2.868 . 0 0 "[ . 1 . 2]" 1
125 1 80 GLU H 1 81 VAL H 1.800 . 3.000 2.653 2.515 2.969 . 0 0 "[ . 1 . 2]" 1
126 1 81 VAL H 1 82 LEU H 1.800 . 3.000 2.702 2.439 2.918 . 0 0 "[ . 1 . 2]" 1
127 1 82 LEU H 1 83 ASN H 1.800 . 3.000 2.790 2.588 2.998 . 0 0 "[ . 1 . 2]" 1
128 1 83 ASN H 1 84 GLU H 1.800 . 3.000 2.677 2.495 2.854 . 0 0 "[ . 1 . 2]" 1
129 1 84 GLU H 1 85 LEU H 1.800 . 3.000 2.591 2.459 2.868 . 0 0 "[ . 1 . 2]" 1
130 1 85 LEU H 1 86 GLY H 1.800 . 3.000 2.527 2.269 2.683 . 0 0 "[ . 1 . 2]" 1
131 1 93 THR H 1 94 GLY H 1.800 . 3.000 2.352 1.861 2.867 . 0 0 "[ . 1 . 2]" 1
132 1 94 GLY H 1 95 THR H 1.800 . 4.000 3.081 1.967 4.025 0.025 2 0 "[ . 1 . 2]" 1
133 1 95 THR H 1 96 SER H 1.800 . 4.000 2.436 1.818 3.088 . 0 0 "[ . 1 . 2]" 1
134 1 97 VAL H 1 98 GLU H 1.800 . 3.000 2.686 2.494 2.869 . 0 0 "[ . 1 . 2]" 1
135 1 98 GLU H 1 99 GLU H 1.800 . 3.000 2.799 2.608 2.980 . 0 0 "[ . 1 . 2]" 1
136 1 99 GLU H 1 100 ASN H 1.800 . 3.000 2.605 2.474 2.796 . 0 0 "[ . 1 . 2]" 1
137 1 100 ASN H 1 101 LEU H 1.800 . 3.000 2.702 2.519 2.823 . 0 0 "[ . 1 . 2]" 1
138 1 101 LEU H 1 102 LYS H 1.800 . 3.000 2.912 2.712 3.014 0.014 12 0 "[ . 1 . 2]" 1
139 1 102 LYS H 1 103 LEU H 1.800 . 3.000 2.581 2.447 2.705 . 0 0 "[ . 1 . 2]" 1
140 1 103 LEU H 1 104 PHE H 1.800 . 3.000 2.582 2.457 2.722 . 0 0 "[ . 1 . 2]" 1
141 1 104 PHE H 1 105 THR H 1.800 . 3.000 2.615 2.446 2.881 . 0 0 "[ . 1 . 2]" 1
142 1 105 THR H 1 106 GLU H 1.800 . 3.000 2.608 2.479 2.833 . 0 0 "[ . 1 . 2]" 1
143 1 106 GLU H 1 107 GLY H 1.800 . 3.000 2.384 2.088 2.628 . 0 0 "[ . 1 . 2]" 1
144 1 107 GLY H 1 108 ASN H 1.800 . 3.000 2.673 1.986 2.989 . 0 0 "[ . 1 . 2]" 1
145 1 108 ASN H 1 109 LEU H 1.800 . 3.000 2.419 2.138 2.795 . 0 0 "[ . 1 . 2]" 1
146 1 64 ASN H 1 66 VAL H 1.800 . 4.000 3.480 3.111 4.001 0.001 4 0 "[ . 1 . 2]" 1
147 1 85 LEU H 1 87 ILE H 1.800 . 4.000 3.899 3.259 4.011 0.011 15 0 "[ . 1 . 2]" 1
148 1 106 GLU H 1 108 ASN H 1.800 . 4.000 3.828 3.538 4.002 0.002 8 0 "[ . 1 . 2]" 1
149 1 2 LYS HA 1 3 ILE MD 1.800 . 5.000 3.985 3.741 4.065 . 0 0 "[ . 1 . 2]" 1
150 1 23 ALA HA 1 24 PRO QD 1.800 . 5.000 1.884 1.862 1.907 . 0 0 "[ . 1 . 2]" 1
151 1 44 ASN HA 1 45 PRO QD 1.800 . 5.000 1.923 1.837 2.165 . 0 0 "[ . 1 . 2]" 1
152 1 73 SER HA 1 74 PRO QD 1.800 . 5.000 1.882 1.831 2.008 . 0 0 "[ . 1 . 2]" 1
153 1 46 SER HA 1 49 ALA MB 1.800 . 5.000 2.987 2.032 3.920 . 0 0 "[ . 1 . 2]" 1
154 1 55 ILE HA 1 58 ALA MB 1.800 . 5.000 3.767 3.225 3.977 . 0 0 "[ . 1 . 2]" 1
155 1 56 ARG HA 1 59 GLN QB 1.800 . 5.000 4.026 3.521 4.456 . 0 0 "[ . 1 . 2]" 1
156 1 59 GLN HA 1 62 ALA MB 1.800 . 5.000 2.875 2.242 3.283 . 0 0 "[ . 1 . 2]" 1
157 1 60 ILE HA 1 63 ASN QB 1.800 . 5.000 2.791 2.127 3.788 . 0 0 "[ . 1 . 2]" 1
158 1 76 PRO HA 1 79 PHE QB 1.800 . 5.000 2.778 1.957 3.436 . 0 0 "[ . 1 . 2]" 1
159 1 81 VAL HA 1 84 GLU QB 1.800 . 5.000 2.788 1.890 3.652 . 0 0 "[ . 1 . 2]" 1
160 1 98 GLU HA 1 101 LEU QB 1.800 . 5.000 3.142 2.742 3.657 . 0 0 "[ . 1 . 2]" 1
161 1 101 LEU HA 1 104 PHE QB 1.800 . 5.000 3.343 2.790 3.694 . 0 0 "[ . 1 . 2]" 1
162 1 102 LYS HA 1 105 THR HB 1.800 . 4.000 3.459 2.621 4.010 0.010 3 0 "[ . 1 . 2]" 1
163 1 58 ALA HA 1 61 ILE MD 1.800 . 6.000 2.552 1.821 4.364 . 0 0 "[ . 1 . 2]" 1
164 1 78 ALA HA 1 81 VAL MG2 1.800 . 5.000 2.734 1.981 3.540 . 0 0 "[ . 1 . 2]" 1
165 1 98 GLU HA 1 101 LEU QD 1.800 . 7.400 3.694 2.647 4.589 . 0 0 "[ . 1 . 2]" 1
166 1 97 VAL HA 1 100 ASN QD 1.800 . 5.000 3.710 2.290 4.393 . 0 0 "[ . 1 . 2]" 1
167 1 103 LEU HA 1 106 GLU QG 1.800 . 5.000 3.694 2.637 4.458 . 0 0 "[ . 1 . 2]" 1
168 1 2 LYS HA 1 30 GLU HA 1.800 . 3.000 2.707 2.349 3.034 0.034 4 0 "[ . 1 . 2]" 1
169 1 4 ALA HA 1 28 ILE HA 1.800 . 3.000 2.286 1.874 2.837 . 0 0 "[ . 1 . 2]" 1
170 1 6 ALA HA 1 26 PHE HA 1.800 . 3.000 2.703 2.285 3.001 0.001 8 0 "[ . 1 . 2]" 1
171 1 15 GLU HA 1 96 SER HA 1.800 . 3.000 2.704 1.939 3.010 0.010 11 0 "[ . 1 . 2]" 1
172 1 25 TYR HA 1 43 GLU HA 1.800 . 3.000 2.401 1.954 2.876 . 0 0 "[ . 1 . 2]" 1
173 1 27 MET HA 1 41 VAL HA 1.800 . 3.000 2.261 1.869 2.661 . 0 0 "[ . 1 . 2]" 1
174 1 29 VAL HA 1 39 SER HA 1.800 . 3.000 2.373 2.122 2.683 . 0 0 "[ . 1 . 2]" 1
175 1 31 MET HA 1 36 ILE HA 1.800 . 3.000 2.414 2.181 2.752 . 0 0 "[ . 1 . 2]" 1
176 1 1 MET H1 1 31 MET H 1.800 . 5.000 6.367 4.525 7.987 2.987 17 14 "[ *** *** * **-+***]" 1
177 1 3 ILE H 1 29 VAL H 1.800 . 4.000 3.655 2.965 4.020 0.020 5 0 "[ . 1 . 2]" 1
178 1 4 ALA H 1 68 ALA H 1.800 . 4.000 3.981 3.865 4.036 0.036 10 0 "[ . 1 . 2]" 1
179 1 4 ALA H 1 70 ILE H 1.800 . 4.000 3.815 3.462 4.010 0.010 3 0 "[ . 1 . 2]" 1
180 1 5 ILE H 1 27 MET H 1.800 . 4.000 3.731 3.243 4.016 0.016 14 0 "[ . 1 . 2]" 1
181 1 6 ALA H 1 70 ILE H 1.800 . 4.000 3.906 3.569 4.016 0.016 5 0 "[ . 1 . 2]" 1
182 1 7 SER H 1 25 TYR H 1.800 . 4.000 3.907 3.504 4.034 0.034 20 0 "[ . 1 . 2]" 1
183 1 8 SER H 1 17 SER H 1.800 . 4.000 3.656 3.031 4.025 0.025 20 0 "[ . 1 . 2]" 1
184 1 11 ASP H 1 14 SER H 1.800 . 4.000 3.594 3.068 4.023 0.023 3 0 "[ . 1 . 2]" 1
185 1 16 VAL H 1 97 VAL H 1.800 . 4.000 3.523 2.099 4.025 0.025 8 0 "[ . 1 . 2]" 1
186 1 26 PHE H 1 42 ILE H 1.800 . 4.000 3.795 3.220 4.019 0.019 19 0 "[ . 1 . 2]" 1
187 1 28 ILE H 1 40 GLU H 1.800 . 4.000 3.695 3.281 4.000 0.000 10 0 "[ . 1 . 2]" 1
188 1 30 GLU H 1 38 SER H 1.800 . 4.000 3.816 3.599 4.007 0.007 16 0 "[ . 1 . 2]" 1
189 1 32 LYS H 1 35 ASN H 1.800 . 4.000 3.260 2.665 3.567 . 0 0 "[ . 1 . 2]" 1
190 1 32 LYS H 1 37 GLU H 1.800 . 4.000 3.773 2.928 4.004 0.004 10 0 "[ . 1 . 2]" 1
191 1 69 VAL H 1 90 TYR H 1.800 . 4.000 3.792 2.783 4.011 0.011 14 0 "[ . 1 . 2]" 1
192 1 71 ALA H 1 90 TYR H 1.800 . 4.000 3.656 3.266 4.021 0.021 2 0 "[ . 1 . 2]" 1
193 1 71 ALA H 1 92 ALA H 1.800 . 4.000 3.695 3.249 3.999 . 0 0 "[ . 1 . 2]" 1
194 1 89 ILE H 1 112 ILE H 1.800 . 4.000 3.443 2.626 4.048 0.048 15 0 "[ . 1 . 2]" 1
195 1 3 ILE HA 1 68 ALA H 1.800 . 4.000 3.482 2.815 4.005 0.005 10 0 "[ . 1 . 2]" 1
196 1 4 ALA HA 1 29 VAL H 1.800 . 4.000 2.897 2.535 3.774 . 0 0 "[ . 1 . 2]" 1
197 1 5 ILE HA 1 70 ILE H 1.800 . 4.000 2.792 2.382 3.522 . 0 0 "[ . 1 . 2]" 1
198 1 6 ALA HA 1 27 MET H 1.800 . 4.000 3.432 3.021 3.871 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLU HA 1 97 VAL H 1.800 . 5.000 3.520 2.048 4.568 . 0 0 "[ . 1 . 2]" 1
200 1 25 TYR HA 1 44 ASN H 1.800 . 4.000 3.825 3.351 4.012 0.012 16 0 "[ . 1 . 2]" 1
201 1 7 SER H 1 26 PHE HA 1.800 . 4.000 3.081 2.302 3.830 . 0 0 "[ . 1 . 2]" 1
202 1 27 MET HA 1 42 ILE H 1.800 . 4.000 3.310 2.869 3.936 . 0 0 "[ . 1 . 2]" 1
203 1 5 ILE H 1 28 ILE HA 1.800 . 4.000 3.757 3.359 4.015 0.015 2 0 "[ . 1 . 2]" 1
204 1 29 VAL HA 1 40 GLU H 1.800 . 4.000 3.434 2.904 3.772 . 0 0 "[ . 1 . 2]" 1
205 1 31 MET HA 1 37 GLU H 1.800 . 3.000 2.654 1.978 3.008 0.008 18 0 "[ . 1 . 2]" 1
206 1 31 MET HA 1 38 SER H 1.800 . 5.000 4.482 3.944 4.864 . 0 0 "[ . 1 . 2]" 1
207 1 32 LYS H 1 36 ILE HA 1.800 . 4.000 3.904 3.693 4.020 0.020 17 0 "[ . 1 . 2]" 1
208 1 30 GLU H 1 39 SER HA 1.800 . 4.000 3.752 3.370 4.028 0.028 8 0 "[ . 1 . 2]" 1
209 1 28 ILE H 1 41 VAL HA 1.800 . 4.000 3.045 2.569 3.580 . 0 0 "[ . 1 . 2]" 1
210 1 68 ALA HA 1 88 LYS H 1.800 . 4.000 3.484 3.086 3.970 . 0 0 "[ . 1 . 2]" 1
211 1 4 ALA H 1 69 VAL HA 1.800 . 4.000 3.057 2.436 3.438 . 0 0 "[ . 1 . 2]" 1
212 1 70 ILE HA 1 90 TYR H 1.800 . 4.000 3.275 2.543 3.942 . 0 0 "[ . 1 . 2]" 1
213 1 69 VAL H 1 89 ILE HA 1.800 . 4.000 3.124 2.497 3.724 . 0 0 "[ . 1 . 2]" 1
214 1 16 VAL H 1 96 SER HA 1.800 . 4.000 3.612 2.050 4.028 0.028 15 0 "[ . 1 . 2]" 1
215 1 104 PHE HA 1 109 LEU H 1.800 . 4.000 3.971 3.802 4.041 0.041 10 0 "[ . 1 . 2]" 1
216 1 3 ILE HA 1 66 VAL QG 1.800 . 7.400 3.388 1.868 5.009 . 0 0 "[ . 1 . 2]" 1
217 1 4 ALA HA 1 28 ILE MD 1.800 . 6.000 3.416 2.640 5.015 . 0 0 "[ . 1 . 2]" 1
218 1 6 ALA HA 1 23 ALA MB 1.800 . 6.000 3.954 2.975 4.510 . 0 0 "[ . 1 . 2]" 1
219 1 10 THR HA 1 27 MET ME 1.800 . 6.000 3.362 1.847 4.768 . 0 0 "[ . 1 . 2]" 1
220 1 10 THR HA 1 41 VAL MG1 1.800 . 5.000 3.207 2.266 3.964 . 0 0 "[ . 1 . 2]" 1
221 1 10 THR HA 1 41 VAL MG2 1.800 . 5.000 3.150 2.298 3.967 . 0 0 "[ . 1 . 2]" 1
222 1 11 ASP HA 1 27 MET ME 1.800 . 5.000 3.468 2.728 4.077 . 0 0 "[ . 1 . 2]" 1
223 1 22 ARG HA 1 47 ALA MB 1.800 . 6.000 3.687 2.029 4.870 . 0 0 "[ . 1 . 2]" 1
224 1 24 PRO HA 1 47 ALA MB 1.800 . 6.000 3.859 2.195 5.001 . 0 0 "[ . 1 . 2]" 1
225 1 31 MET ME 1 34 GLY QA 1.800 . 6.000 3.820 3.161 4.210 . 0 0 "[ . 1 . 2]" 1
226 1 34 GLY QA 1 105 THR MG 1.800 . 5.000 2.493 1.851 3.298 . 0 0 "[ . 1 . 2]" 1
227 1 31 MET ME 1 35 ASN HA 1.800 . 6.000 4.648 4.319 5.033 . 0 0 "[ . 1 . 2]" 1
228 1 29 VAL MG1 1 39 SER HA 1.800 . 5.000 3.053 1.872 3.956 . 0 0 "[ . 1 . 2]" 1
229 1 29 VAL MG2 1 39 SER HA 1.800 . 5.000 2.655 1.879 4.085 . 0 0 "[ . 1 . 2]" 1
230 1 27 MET ME 1 41 VAL HA 1.800 . 6.000 4.294 2.682 4.853 . 0 0 "[ . 1 . 2]" 1
231 1 62 ALA HA 1 87 ILE MD 1.800 . 5.000 2.949 1.826 3.886 . 0 0 "[ . 1 . 2]" 1
232 1 68 ALA HA 1 87 ILE MG 1.800 . 5.000 3.384 2.882 3.941 . 0 0 "[ . 1 . 2]" 1
233 1 3 ILE MG 1 69 VAL HA 1.800 . 6.000 4.372 3.468 4.779 . 0 0 "[ . 1 . 2]" 1
234 1 6 ALA MB 1 71 ALA HA 1.800 . 5.000 2.968 2.256 3.461 . 0 0 "[ . 1 . 2]" 1
235 1 71 ALA HA 1 92 ALA MB 1.800 . 6.000 3.110 2.457 3.626 . 0 0 "[ . 1 . 2]" 1
236 1 72 SER HA 1 92 ALA MB 1.800 . 6.000 3.912 3.505 4.624 . 0 0 "[ . 1 . 2]" 1
237 1 55 ILE MD 1 73 SER HA 1.800 . 6.000 4.875 4.564 5.071 . 0 0 "[ . 1 . 2]" 1
238 1 79 PHE HA 1 89 ILE MD 1.800 . 6.000 2.568 1.866 3.550 . 0 0 "[ . 1 . 2]" 1
239 1 69 VAL HB 1 89 ILE HA 1.800 . 4.000 2.983 2.108 3.519 . 0 0 "[ . 1 . 2]" 1
240 1 70 ILE MG 1 92 ALA HA 1.800 . 5.000 2.897 2.286 3.540 . 0 0 "[ . 1 . 2]" 1
241 1 5 ILE MG 1 97 VAL HA 1.800 . 6.000 2.947 2.144 4.059 . 0 0 "[ . 1 . 2]" 1
242 1 70 ILE MD 1 101 LEU HA 1.800 . 6.000 4.380 3.694 4.742 . 0 0 "[ . 1 . 2]" 1
243 1 103 LEU HA 1 108 ASN QB 1.800 . 5.000 3.569 2.800 4.305 . 0 0 "[ . 1 . 2]" 1
244 1 31 MET ME 1 105 THR HA 1.800 . 6.000 3.776 2.452 4.506 . 0 0 "[ . 1 . 2]" 1
245 1 8 SER H 1 97 VAL MG1 1.800 . 6.000 4.197 3.166 4.819 . 0 0 "[ . 1 . 2]" 1
246 1 8 SER H 1 97 VAL MG2 1.800 . 6.000 4.388 2.915 4.864 . 0 0 "[ . 1 . 2]" 1
247 1 11 ASP H 1 14 SER QB 1.800 . 5.000 3.784 2.435 4.340 . 0 0 "[ . 1 . 2]" 1
248 1 96 SER H 1 99 GLU QB 1.800 . 6.000 3.402 2.590 4.309 . 0 0 "[ . 1 . 2]" 1
249 1 96 SER H 1 99 GLU QG 1.800 . 6.000 4.646 3.486 5.387 . 0 0 "[ . 1 . 2]" 1
250 1 3 ILE MD 1 104 PHE H 1.800 . 6.000 4.768 4.638 4.840 . 0 0 "[ . 1 . 2]" 1
251 1 3 ILE MG 1 104 PHE H 1.800 . 6.000 4.751 4.494 4.893 . 0 0 "[ . 1 . 2]" 1
252 1 3 ILE MG 1 68 ALA MB 1.800 . 6.000 2.612 1.999 3.105 . 0 0 "[ . 1 . 2]" 1
253 1 4 ALA MB 1 28 ILE MD 1.800 . 6.000 2.178 1.676 3.253 0.124 2 0 "[ . 1 . 2]" 1
254 1 4 ALA MB 1 61 ILE MD 1.800 . 6.000 3.716 3.398 3.999 . 0 0 "[ . 1 . 2]" 1
255 1 4 ALA MB 1 61 ILE MG 1.800 . 6.000 2.969 2.396 3.718 . 0 0 "[ . 1 . 2]" 1
256 1 6 ALA MB 1 71 ALA MB 1.800 . 6.000 2.619 1.960 3.171 . 0 0 "[ . 1 . 2]" 1
257 1 62 ALA MB 1 85 LEU MD1 1.800 . 7.000 2.647 1.769 4.219 0.031 13 0 "[ . 1 . 2]" 1
258 1 62 ALA MB 1 85 LEU MD2 1.800 . 7.000 2.611 1.731 3.749 0.069 10 0 "[ . 1 . 2]" 1
259 1 85 LEU QD 1 87 ILE MD 1.800 . 8.400 2.401 1.793 3.030 0.007 19 0 "[ . 1 . 2]" 1
260 1 62 ALA MB 1 87 ILE MD 1.800 . 6.000 2.003 1.634 2.748 0.166 17 0 "[ . 1 . 2]" 1
261 1 29 VAL MG1 1 31 MET ME 1.800 . 7.000 3.400 2.615 4.718 . 0 0 "[ . 1 . 2]" 1
262 1 3 ILE MG 1 31 MET ME 1.800 . 7.000 4.432 4.049 4.785 . 0 0 "[ . 1 . 2]" 1
263 1 3 ILE MD 1 31 MET ME 1.800 . 7.000 2.506 1.828 3.316 . 0 0 "[ . 1 . 2]" 1
264 1 31 MET ME 1 101 LEU MD1 1.800 . 6.000 3.190 1.917 4.068 . 0 0 "[ . 1 . 2]" 1
265 1 31 MET ME 1 101 LEU MD2 1.800 . 6.000 3.430 2.110 4.076 . 0 0 "[ . 1 . 2]" 1
266 1 31 MET ME 1 105 THR MG 1.800 . 6.000 3.247 1.784 3.899 0.016 2 0 "[ . 1 . 2]" 1
267 1 31 MET ME 1 105 THR HB 1.800 . 6.000 3.915 3.023 4.609 . 0 0 "[ . 1 . 2]" 1
268 1 31 MET ME 1 36 ILE MD 1.800 . 6.000 3.062 1.780 3.940 0.020 12 0 "[ . 1 . 2]" 1
269 1 10 THR HB 1 41 VAL MG1 1.800 . 6.000 4.483 3.603 4.838 . 0 0 "[ . 1 . 2]" 1
270 1 10 THR HB 1 41 VAL MG2 1.800 . 6.000 4.430 3.480 4.745 . 0 0 "[ . 1 . 2]" 1
271 1 10 THR MG 1 41 VAL MG1 1.800 . 6.000 2.693 2.036 3.749 . 0 0 "[ . 1 . 2]" 1
272 1 10 THR MG 1 41 VAL MG2 1.800 . 6.000 2.828 1.799 3.818 0.001 10 0 "[ . 1 . 2]" 1
273 1 27 MET ME 1 41 VAL MG1 1.800 . 6.000 3.123 1.866 3.870 . 0 0 "[ . 1 . 2]" 1
274 1 27 MET ME 1 41 VAL MG2 1.800 . 6.000 2.681 1.795 3.943 0.005 5 0 "[ . 1 . 2]" 1
275 1 61 ILE MD 1 69 VAL MG1 1.800 . 6.000 2.984 1.954 3.819 . 0 0 "[ . 1 . 2]" 1
276 1 61 ILE MD 1 69 VAL MG2 1.800 . 6.000 3.234 1.718 3.854 0.082 19 0 "[ . 1 . 2]" 1
277 1 61 ILE MG 1 69 VAL MG2 1.800 . 6.000 2.535 1.870 4.031 . 0 0 "[ . 1 . 2]" 1
278 1 69 VAL MG1 1 71 ALA MB 1.800 . 6.000 2.616 2.231 3.081 . 0 0 "[ . 1 . 2]" 1
279 1 4 ALA MB 1 69 VAL MG1 1.800 . 7.000 3.516 2.863 4.217 . 0 0 "[ . 1 . 2]" 1
280 1 4 ALA MB 1 69 VAL MG2 1.800 . 7.000 3.091 2.134 3.860 . 0 0 "[ . 1 . 2]" 1
281 1 69 VAL MG2 1 87 ILE MG 1.800 . 6.000 2.389 1.737 2.863 0.063 2 0 "[ . 1 . 2]" 1
282 1 69 VAL MG1 1 82 LEU QD 1.800 . 8.400 2.616 2.110 3.214 . 0 0 "[ . 1 . 2]" 1
283 1 69 VAL MG2 1 82 LEU QD 1.800 . 8.400 2.228 1.789 3.819 0.011 15 0 "[ . 1 . 2]" 1
284 1 58 ALA MB 1 82 LEU MD1 1.800 . 7.000 2.750 1.754 3.527 0.046 9 0 "[ . 1 . 2]" 1
285 1 58 ALA MB 1 82 LEU MD2 1.800 . 7.000 2.965 1.890 4.627 . 0 0 "[ . 1 . 2]" 1
286 1 82 LEU QD 1 87 ILE MD 1.800 . 7.400 2.826 1.715 4.243 0.085 19 0 "[ . 1 . 2]" 1
287 1 82 LEU QD 1 89 ILE MD 1.800 . 7.400 3.066 2.005 3.778 . 0 0 "[ . 1 . 2]" 1
288 1 58 ALA MB 1 81 VAL MG1 1.800 . 6.000 3.113 2.148 3.777 . 0 0 "[ . 1 . 2]" 1
289 1 58 ALA MB 1 81 VAL MG2 1.800 . 6.000 3.843 3.049 4.128 . 0 0 "[ . 1 . 2]" 1
290 1 58 ALA MB 1 81 VAL HB 1.800 . 6.000 3.296 2.438 3.724 . 0 0 "[ . 1 . 2]" 1
291 1 4 ALA MB 1 66 VAL MG1 1.800 . 7.000 1.833 1.632 2.474 0.168 12 0 "[ . 1 . 2]" 1
292 1 4 ALA MB 1 66 VAL MG2 1.800 . 7.000 2.325 1.770 3.329 0.030 5 0 "[ . 1 . 2]" 1
293 1 28 ILE MD 1 66 VAL MG1 1.800 . 6.000 3.263 1.768 3.903 0.032 10 0 "[ . 1 . 2]" 1
294 1 28 ILE MD 1 66 VAL MG2 1.800 . 6.000 2.610 1.660 3.991 0.140 20 0 "[ . 1 . 2]" 1
295 1 61 ILE MG 1 66 VAL MG1 1.800 . 6.000 2.626 1.696 3.564 0.104 5 0 "[ . 1 . 2]" 1
296 1 61 ILE MG 1 66 VAL MG2 1.800 . 6.000 2.337 1.705 3.649 0.095 4 0 "[ . 1 . 2]" 1
297 1 61 ILE MG 1 66 VAL HB 1.800 . 6.000 2.790 1.944 4.899 . 0 0 "[ . 1 . 2]" 1
298 1 29 VAL MG1 1 39 SER QB 1.800 . 6.000 2.824 1.756 4.276 0.044 4 0 "[ . 1 . 2]" 1
299 1 29 VAL MG2 1 39 SER QB 1.800 . 6.000 2.589 1.823 3.645 . 0 0 "[ . 1 . 2]" 1
300 1 70 ILE MG 1 92 ALA MB 1.800 . 6.000 2.278 1.792 3.080 0.008 14 0 "[ . 1 . 2]" 1
301 1 6 ALA MB 1 23 ALA MB 1.800 . 5.000 2.932 2.359 3.340 . 0 0 "[ . 1 . 2]" 1
302 1 72 SER QB 1 92 ALA MB 1.800 . 7.000 2.710 1.889 4.003 . 0 0 "[ . 1 . 2]" 1
303 1 46 SER QB 1 49 ALA MB 1.800 . 6.000 3.343 2.060 4.318 . 0 0 "[ . 1 . 2]" 1
304 1 55 ILE MD 1 74 PRO QD 1.800 . 7.000 3.864 3.454 4.474 . 0 0 "[ . 1 . 2]" 1
305 1 55 ILE MG 1 81 VAL MG2 1.800 . 6.000 2.966 1.920 3.841 . 0 0 "[ . 1 . 2]" 1
306 1 44 ASN QB 1 47 ALA MB 1.800 . 7.000 2.951 1.840 4.671 . 0 0 "[ . 1 . 2]" 1
307 1 16 VAL MG1 1 92 ALA MB 1.800 . 7.000 2.414 1.764 4.224 0.036 18 0 "[ . 1 . 2]" 1
308 1 16 VAL MG2 1 92 ALA MB 1.800 . 7.000 3.341 1.857 4.658 . 0 0 "[ . 1 . 2]" 1
309 1 16 VAL HB 1 92 ALA MB 1.800 . 6.000 4.056 3.161 4.891 . 0 0 "[ . 1 . 2]" 1
310 1 95 THR MG 1 99 GLU QB 1.800 . 7.000 3.664 2.488 4.749 . 0 0 "[ . 1 . 2]" 1
311 1 95 THR MG 1 99 GLU QG 1.800 . 7.000 4.117 2.679 4.865 . 0 0 "[ . 1 . 2]" 1
312 1 93 THR MG 1 109 LEU QD 1.800 . 7.400 3.464 1.849 4.287 . 0 0 "[ . 1 . 2]" 1
313 1 103 LEU QD 1 108 ASN QB 1.800 . 6.400 2.100 1.678 2.886 0.122 16 0 "[ . 1 . 2]" 1
314 1 103 LEU QD 1 109 LEU QD 1.800 . 8.800 2.655 1.796 4.399 0.004 8 0 "[ . 1 . 2]" 1
315 1 3 ILE MG 1 5 ILE MD 1.800 . 6.000 2.833 1.812 4.047 . 0 0 "[ . 1 . 2]" 1
316 1 44 ASN QD 1 57 THR MG 1.800 . 6.000 3.579 2.814 4.383 . 0 0 "[ . 1 . 2]" 1
317 1 20 PHE QD 1 69 VAL MG1 1.800 . 6.000 4.387 3.916 4.701 . 0 0 "[ . 1 . 2]" 1
318 1 20 PHE QD 1 71 ALA MB 1.800 . 7.000 2.612 1.791 3.450 0.009 1 0 "[ . 1 . 2]" 1
319 1 20 PHE QE 1 71 ALA MB 1.800 . 7.000 3.417 2.736 4.611 . 0 0 "[ . 1 . 2]" 1
320 1 20 PHE QD 1 78 ALA MB 1.800 . 6.000 2.960 2.085 3.788 . 0 0 "[ . 1 . 2]" 1
321 1 20 PHE QE 1 78 ALA MB 1.800 . 6.000 2.796 1.913 3.608 . 0 0 "[ . 1 . 2]" 1
322 1 20 PHE QE 1 82 LEU QD 1.800 . 7.400 3.287 2.121 4.648 . 0 0 "[ . 1 . 2]" 1
323 1 20 PHE HZ 1 82 LEU QD 1.800 . 6.400 3.946 3.027 4.785 . 0 0 "[ . 1 . 2]" 1
324 1 20 PHE QE 1 69 VAL MG1 1.800 . 7.000 3.430 2.991 4.880 . 0 0 "[ . 1 . 2]" 1
325 1 20 PHE QE 1 61 ILE MD 1.800 . 7.000 3.099 2.367 3.772 . 0 0 "[ . 1 . 2]" 1
326 1 20 PHE HZ 1 61 ILE MD 1.800 . 5.000 2.694 1.855 4.084 . 0 0 "[ . 1 . 2]" 1
327 1 20 PHE QE 1 57 THR MG 1.800 . 7.000 3.467 2.398 4.168 . 0 0 "[ . 1 . 2]" 1
328 1 20 PHE HZ 1 57 THR MG 1.800 . 5.000 3.409 2.402 4.070 . 0 0 "[ . 1 . 2]" 1
329 1 20 PHE QE 1 58 ALA HA 1.800 . 6.000 4.240 3.026 4.885 . 0 0 "[ . 1 . 2]" 1
330 1 20 PHE HZ 1 58 ALA HA 1.800 . 4.000 3.417 1.967 3.981 . 0 0 "[ . 1 . 2]" 1
331 1 10 THR MG 1 25 TYR QE 1.800 . 7.000 2.980 2.231 4.318 . 0 0 "[ . 1 . 2]" 1
332 1 25 TYR QE 1 43 GLU HA 1.800 . 7.000 4.681 3.716 5.283 . 0 0 "[ . 1 . 2]" 1
333 1 25 TYR QE 1 43 GLU QB 1.800 . 7.000 3.927 2.639 5.044 . 0 0 "[ . 1 . 2]" 1
334 1 25 TYR QE 1 43 GLU QG 1.800 . 7.000 3.113 2.121 4.674 . 0 0 "[ . 1 . 2]" 1
335 1 9 GLY QA 1 25 TYR QE 1.800 . 7.000 4.018 2.734 5.386 . 0 0 "[ . 1 . 2]" 1
336 1 24 PRO QB 1 25 TYR QE 1.800 . 7.000 4.142 2.722 5.073 . 0 0 "[ . 1 . 2]" 1
337 1 24 PRO QG 1 25 TYR QE 1.800 . 7.000 3.528 1.858 4.998 . 0 0 "[ . 1 . 2]" 1
338 1 25 TYR QE 1 41 VAL QG 1.800 . 9.400 3.561 2.444 4.596 . 0 0 "[ . 1 . 2]" 1
339 1 10 THR MG 1 25 TYR QD 1.800 . 8.000 3.342 2.279 4.402 . 0 0 "[ . 1 . 2]" 1
340 1 25 TYR QD 1 41 VAL QG 1.800 . 9.400 2.549 1.868 3.842 . 0 0 "[ . 1 . 2]" 1
341 1 9 GLY H 1 25 TYR QD 1.800 . 7.000 4.272 2.921 5.450 . 0 0 "[ . 1 . 2]" 1
342 1 10 THR H 1 25 TYR QD 1.800 . 7.000 5.015 2.993 6.149 . 0 0 "[ . 1 . 2]" 1
343 1 25 TYR QD 1 43 GLU HA 1.800 . 6.000 3.757 2.997 4.380 . 0 0 "[ . 1 . 2]" 1
344 1 25 TYR QD 1 43 GLU QB 1.800 . 7.000 4.119 2.864 5.249 . 0 0 "[ . 1 . 2]" 1
345 1 25 TYR QD 1 43 GLU QG 1.800 . 7.000 3.459 1.969 5.305 . 0 0 "[ . 1 . 2]" 1
346 1 24 PRO QB 1 25 TYR QD 1.800 . 7.000 3.838 2.397 4.510 . 0 0 "[ . 1 . 2]" 1
347 1 24 PRO QG 1 25 TYR QD 1.800 . 7.000 3.076 2.421 3.765 . 0 0 "[ . 1 . 2]" 1
348 1 6 ALA HA 1 26 PHE QD 1.800 . 7.000 2.984 2.150 3.824 . 0 0 "[ . 1 . 2]" 1
349 1 6 ALA MB 1 26 PHE QD 1.800 . 7.000 3.475 2.772 4.549 . 0 0 "[ . 1 . 2]" 1
350 1 4 ALA MB 1 26 PHE QD 1.800 . 7.000 3.363 1.853 5.141 . 0 0 "[ . 1 . 2]" 1
351 1 26 PHE QD 1 28 ILE MD 1.800 . 7.000 3.819 2.567 4.786 . 0 0 "[ . 1 . 2]" 1
352 1 26 PHE QD 1 61 ILE MD 1.800 . 7.000 3.431 2.329 4.905 . 0 0 "[ . 1 . 2]" 1
353 1 26 PHE H 1 26 PHE QD 1.800 . 6.000 3.396 1.974 4.214 . 0 0 "[ . 1 . 2]" 1
354 1 71 ALA MB 1 79 PHE QD 1.800 . 7.000 4.573 4.241 4.947 . 0 0 "[ . 1 . 2]" 1
355 1 79 PHE QD 1 89 ILE MG 1.800 . 7.000 2.362 1.745 3.373 0.055 16 0 "[ . 1 . 2]" 1
356 1 79 PHE QD 1 89 ILE MD 1.800 . 6.000 3.396 2.563 4.377 . 0 0 "[ . 1 . 2]" 1
357 1 68 ALA MB 1 90 TYR QD 1.800 . 8.000 3.596 2.276 4.626 . 0 0 "[ . 1 . 2]" 1
358 1 68 ALA HA 1 90 TYR QD 1.800 . 7.000 4.116 2.659 5.443 . 0 0 "[ . 1 . 2]" 1
359 1 69 VAL H 1 90 TYR QD 1.800 . 7.000 3.800 2.569 5.592 . 0 0 "[ . 1 . 2]" 1
360 1 3 ILE MG 1 90 TYR QD 1.800 . 8.000 4.691 3.967 5.420 . 0 0 "[ . 1 . 2]" 1
361 1 90 TYR H 1 90 TYR QD 1.800 . 6.000 3.555 2.198 4.303 . 0 0 "[ . 1 . 2]" 1
362 1 90 TYR QD 1 91 ARG H 1.800 . 6.000 3.561 2.471 4.341 . 0 0 "[ . 1 . 2]" 1
363 1 90 TYR QD 1 110 GLU QG 1.800 . 7.000 4.188 2.026 5.440 . 0 0 "[ . 1 . 2]" 1
364 1 90 TYR QD 1 110 GLU QB 1.800 . 7.000 3.596 2.145 5.041 . 0 0 "[ . 1 . 2]" 1
365 1 68 ALA MB 1 90 TYR QE 1.800 . 8.000 3.660 1.848 4.743 . 0 0 "[ . 1 . 2]" 1
366 1 68 ALA HA 1 90 TYR QE 1.800 . 7.000 4.659 1.920 5.754 . 0 0 "[ . 1 . 2]" 1
367 1 69 VAL H 1 90 TYR QE 1.800 . 7.000 5.266 2.124 6.104 . 0 0 "[ . 1 . 2]" 1
368 1 3 ILE MG 1 90 TYR QE 1.800 . 8.000 5.167 4.132 5.981 . 0 0 "[ . 1 . 2]" 1
369 1 90 TYR QE 1 110 GLU QG 1.800 . 7.000 4.436 2.542 5.837 . 0 0 "[ . 1 . 2]" 1
370 1 90 TYR QE 1 110 GLU QB 1.800 . 7.000 3.801 1.882 5.630 . 0 0 "[ . 1 . 2]" 1
371 1 104 PHE QD 1 105 THR H 1.800 . 6.000 3.416 2.532 4.720 . 0 0 "[ . 1 . 2]" 1
372 1 104 PHE QD 1 105 THR HA 1.800 . 7.000 2.952 2.384 4.487 . 0 0 "[ . 1 . 2]" 1
373 1 101 LEU HA 1 104 PHE QD 1.800 . 6.000 5.206 4.698 5.564 . 0 0 "[ . 1 . 2]" 1
374 1 68 ALA MB 1 104 PHE QD 1.800 . 7.000 3.538 2.603 4.453 . 0 0 "[ . 1 . 2]" 1
375 1 70 ILE MD 1 104 PHE QD 1.800 . 7.000 2.693 2.095 3.752 . 0 0 "[ . 1 . 2]" 1
376 1 31 MET ME 1 104 PHE QD 1.800 . 8.000 3.610 2.736 4.200 . 0 0 "[ . 1 . 2]" 1
377 1 31 MET ME 1 104 PHE QE 1.800 . 8.000 4.891 3.297 5.632 . 0 0 "[ . 1 . 2]" 1
378 1 68 ALA MB 1 104 PHE QE 1.800 . 7.000 2.272 1.798 2.904 0.002 6 0 "[ . 1 . 2]" 1
379 1 70 ILE MD 1 104 PHE QE 1.800 . 7.000 3.812 2.788 4.631 . 0 0 "[ . 1 . 2]" 1
380 1 1 MET ME 1 104 PHE HZ 1.800 . 7.000 3.908 2.323 5.669 . 0 0 "[ . 1 . 2]" 1
381 1 68 ALA MB 1 104 PHE HZ 1.800 . 7.000 2.611 2.114 3.161 . 0 0 "[ . 1 . 2]" 1
382 1 70 ILE MD 1 104 PHE HZ 1.800 . 7.000 5.494 4.772 5.746 . 0 0 "[ . 1 . 2]" 1
383 1 90 TYR QE 1 104 PHE QE 1.800 . 7.000 2.633 1.907 3.377 . 0 0 "[ . 1 . 2]" 1
384 1 3 ILE MG 1 104 PHE QD 1.800 . 7.000 2.963 2.300 3.677 . 0 0 "[ . 1 . 2]" 1
385 1 3 ILE MG 1 104 PHE QE 1.800 . 7.000 3.695 2.718 4.586 . 0 0 "[ . 1 . 2]" 1
386 1 3 ILE MD 1 104 PHE QD 1.800 . 6.000 2.256 1.912 2.748 . 0 0 "[ . 1 . 2]" 1
387 1 3 ILE MD 1 104 PHE QE 1.800 . 6.000 2.613 1.983 3.198 . 0 0 "[ . 1 . 2]" 1
388 1 3 ILE MD 1 104 PHE HZ 1.800 . 5.000 3.946 3.695 4.110 . 0 0 "[ . 1 . 2]" 1
389 1 3 ILE HA 1 3 ILE MG 1.800 . 4.000 2.336 2.163 2.470 . 0 0 "[ . 1 . 2]" 1
390 1 20 PHE HA 1 20 PHE QD 1.800 . 6.000 2.099 1.843 3.063 . 0 0 "[ . 1 . 2]" 1
391 1 28 ILE HA 1 28 ILE MG 1.800 . 4.000 2.578 2.041 3.199 . 0 0 "[ . 1 . 2]" 1
392 1 56 ARG HA 1 56 ARG QG 1.800 . 5.000 2.321 1.937 3.302 . 0 0 "[ . 1 . 2]" 1
393 1 56 ARG HA 1 56 ARG QD 1.800 . 5.000 3.130 1.934 4.171 . 0 0 "[ . 1 . 2]" 1
394 1 79 PHE H 1 79 PHE HA 1.800 . 3.000 2.829 2.778 2.895 . 0 0 "[ . 1 . 2]" 1
395 1 79 PHE H 1 79 PHE HB3 1.800 . 4.000 3.599 3.530 3.625 . 0 0 "[ . 1 . 2]" 1
396 1 79 PHE H 1 79 PHE HB2 1.800 . 4.000 2.596 2.210 2.829 . 0 0 "[ . 1 . 2]" 1
397 1 79 PHE HA 1 79 PHE QD 1.800 . 6.000 2.054 1.833 2.694 . 0 0 "[ . 1 . 2]" 1
398 1 80 GLU H 1 80 GLU QG 1.800 . 5.000 3.591 2.747 4.006 . 0 0 "[ . 1 . 2]" 1
399 1 81 VAL H 1 81 VAL MG2 1.800 . 4.000 2.022 1.823 2.437 . 0 0 "[ . 1 . 2]" 1
400 1 84 GLU H 1 84 GLU QG 1.800 . 5.000 3.492 2.186 4.093 . 0 0 "[ . 1 . 2]" 1
401 1 100 ASN HA 1 100 ASN QD 1.800 . 5.000 3.431 2.042 4.114 . 0 0 "[ . 1 . 2]" 1
402 1 104 PHE HA 1 104 PHE QD 1.800 . 5.000 3.073 2.801 3.196 . 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 58
_Distance_constraint_stats_list.Viol_count 219
_Distance_constraint_stats_list.Viol_total 67.992
_Distance_constraint_stats_list.Viol_max 0.093
_Distance_constraint_stats_list.Viol_rms 0.0086
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0155
_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 2 LYS 0.448 0.056 12 0 "[ . 1 . 2]"
1 3 ILE 0.169 0.037 19 0 "[ . 1 . 2]"
1 4 ALA 0.023 0.013 10 0 "[ . 1 . 2]"
1 5 ILE 0.072 0.030 6 0 "[ . 1 . 2]"
1 6 ALA 0.155 0.031 2 0 "[ . 1 . 2]"
1 26 PHE 0.186 0.028 18 0 "[ . 1 . 2]"
1 27 MET 0.072 0.030 6 0 "[ . 1 . 2]"
1 28 ILE 0.147 0.031 9 0 "[ . 1 . 2]"
1 29 VAL 0.169 0.037 19 0 "[ . 1 . 2]"
1 30 GLU 0.027 0.011 6 0 "[ . 1 . 2]"
1 38 SER 0.027 0.011 6 0 "[ . 1 . 2]"
1 40 GLU 0.147 0.031 9 0 "[ . 1 . 2]"
1 42 ILE 0.186 0.028 18 0 "[ . 1 . 2]"
1 57 THR 0.041 0.021 11 0 "[ . 1 . 2]"
1 58 ALA 0.128 0.038 3 0 "[ . 1 . 2]"
1 61 ILE 0.041 0.021 11 0 "[ . 1 . 2]"
1 62 ALA 0.128 0.038 3 0 "[ . 1 . 2]"
1 67 LYS 0.088 0.028 15 0 "[ . 1 . 2]"
1 68 ALA 0.448 0.056 12 0 "[ . 1 . 2]"
1 69 VAL 0.466 0.049 5 0 "[ . 1 . 2]"
1 70 ILE 0.178 0.031 2 0 "[ . 1 . 2]"
1 71 ALA 0.342 0.034 14 0 "[ . 1 . 2]"
1 78 ALA 0.082 0.028 3 0 "[ . 1 . 2]"
1 81 VAL 0.058 0.017 15 0 "[ . 1 . 2]"
1 82 LEU 0.082 0.028 3 0 "[ . 1 . 2]"
1 85 LEU 0.058 0.017 15 0 "[ . 1 . 2]"
1 88 LYS 0.320 0.037 19 0 "[ . 1 . 2]"
1 89 ILE 0.806 0.093 12 0 "[ . 1 . 2]"
1 90 TYR 0.315 0.049 5 0 "[ . 1 . 2]"
1 91 ARG 0.069 0.019 16 0 "[ . 1 . 2]"
1 92 ALA 0.261 0.034 14 0 "[ . 1 . 2]"
1 96 SER 0.017 0.009 20 0 "[ . 1 . 2]"
1 97 VAL 0.033 0.012 16 0 "[ . 1 . 2]"
1 99 GLU 0.025 0.007 5 0 "[ . 1 . 2]"
1 100 ASN 0.035 0.017 19 0 "[ . 1 . 2]"
1 101 LEU 0.033 0.012 16 0 "[ . 1 . 2]"
1 103 LEU 0.025 0.007 5 0 "[ . 1 . 2]"
1 104 PHE 0.018 0.017 19 0 "[ . 1 . 2]"
1 110 GLU 0.069 0.019 16 0 "[ . 1 . 2]"
1 112 ILE 0.806 0.093 12 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 3 ILE H 1 29 VAL O 1.800 . 2.200 2.150 2.098 2.237 0.037 19 0 "[ . 1 . 2]" 2
2 1 3 ILE N 1 29 VAL O 2.800 2.800 3.300 3.040 2.861 3.160 . 0 0 "[ . 1 . 2]" 2
3 1 4 ALA H 1 68 ALA O 1.800 . 2.200 2.105 2.037 2.178 . 0 0 "[ . 1 . 2]" 2
4 1 4 ALA N 1 68 ALA O 2.800 2.800 3.300 3.047 2.932 3.131 . 0 0 "[ . 1 . 2]" 2
5 1 5 ILE H 1 27 MET O 1.800 . 2.200 2.165 2.101 2.230 0.030 6 0 "[ . 1 . 2]" 2
6 1 5 ILE N 1 27 MET O 2.800 2.800 3.300 2.930 2.824 3.089 . 0 0 "[ . 1 . 2]" 2
7 1 6 ALA H 1 70 ILE O 1.800 . 2.200 2.189 2.102 2.231 0.031 2 0 "[ . 1 . 2]" 2
8 1 6 ALA N 1 70 ILE O 2.800 2.800 3.300 3.155 3.035 3.208 . 0 0 "[ . 1 . 2]" 2
9 1 26 PHE H 1 42 ILE O 1.800 . 2.200 2.177 2.095 2.219 0.019 5 0 "[ . 1 . 2]" 2
10 1 26 PHE N 1 42 ILE O 2.800 2.800 3.300 2.880 2.786 2.999 0.014 8 0 "[ . 1 . 2]" 2
11 1 3 ILE O 1 29 VAL H 1.800 . 2.200 2.184 2.094 2.220 0.020 5 0 "[ . 1 . 2]" 2
12 1 3 ILE O 1 29 VAL N 2.800 2.800 3.300 3.054 2.836 3.171 . 0 0 "[ . 1 . 2]" 2
13 1 5 ILE O 1 27 MET H 1.800 . 2.200 2.149 2.101 2.205 0.005 7 0 "[ . 1 . 2]" 2
14 1 5 ILE O 1 27 MET N 2.800 2.800 3.300 3.047 2.947 3.125 . 0 0 "[ . 1 . 2]" 2
15 1 28 ILE H 1 40 GLU O 1.800 . 2.200 2.169 2.099 2.231 0.031 9 0 "[ . 1 . 2]" 2
16 1 28 ILE N 1 40 GLU O 2.800 2.800 3.300 3.054 2.829 3.179 . 0 0 "[ . 1 . 2]" 2
17 1 30 GLU H 1 38 SER O 1.800 . 2.200 2.137 2.085 2.211 0.011 6 0 "[ . 1 . 2]" 2
18 1 30 GLU N 1 38 SER O 2.800 2.800 3.300 3.019 2.866 3.157 . 0 0 "[ . 1 . 2]" 2
19 1 28 ILE O 1 40 GLU H 1.800 . 2.200 2.163 2.087 2.222 0.022 1 0 "[ . 1 . 2]" 2
20 1 28 ILE O 1 40 GLU N 2.800 2.800 3.300 3.086 2.934 3.196 . 0 0 "[ . 1 . 2]" 2
21 1 26 PHE O 1 42 ILE H 1.800 . 2.200 2.144 2.091 2.224 0.024 11 0 "[ . 1 . 2]" 2
22 1 26 PHE O 1 42 ILE N 2.800 2.800 3.300 3.040 2.772 3.142 0.028 18 0 "[ . 1 . 2]" 2
23 1 2 LYS O 1 68 ALA H 1.800 . 2.200 2.221 2.172 2.256 0.056 12 0 "[ . 1 . 2]" 2
24 1 2 LYS O 1 68 ALA N 2.800 2.800 3.300 2.914 2.803 3.056 . 0 0 "[ . 1 . 2]" 2
25 1 69 VAL H 1 88 LYS O 1.800 . 2.200 2.200 2.130 2.237 0.037 19 0 "[ . 1 . 2]" 2
26 1 69 VAL N 1 88 LYS O 2.800 2.800 3.300 3.107 3.023 3.208 . 0 0 "[ . 1 . 2]" 2
27 1 4 ALA O 1 70 ILE H 1.800 . 2.200 2.156 2.093 2.213 0.013 10 0 "[ . 1 . 2]" 2
28 1 4 ALA O 1 70 ILE N 2.800 2.800 3.300 3.093 2.979 3.172 . 0 0 "[ . 1 . 2]" 2
29 1 71 ALA H 1 90 TYR O 1.800 . 2.200 2.172 2.097 2.229 0.029 6 0 "[ . 1 . 2]" 2
30 1 71 ALA N 1 90 TYR O 2.800 2.800 3.300 3.118 2.948 3.195 . 0 0 "[ . 1 . 2]" 2
31 1 67 LYS O 1 88 LYS H 1.800 . 2.200 2.157 2.086 2.228 0.028 15 0 "[ . 1 . 2]" 2
32 1 67 LYS O 1 88 LYS N 2.800 2.800 3.300 3.023 2.806 3.203 . 0 0 "[ . 1 . 2]" 2
33 1 89 ILE H 1 112 ILE O 1.800 . 2.200 2.180 2.098 2.243 0.043 13 0 "[ . 1 . 2]" 2
34 1 89 ILE N 1 112 ILE O 2.800 2.800 3.300 3.047 2.782 3.187 0.018 2 0 "[ . 1 . 2]" 2
35 1 69 VAL O 1 90 TYR H 1.800 . 2.200 2.156 2.090 2.222 0.022 5 0 "[ . 1 . 2]" 2
36 1 69 VAL O 1 90 TYR N 2.800 2.800 3.300 2.901 2.751 3.107 0.049 5 0 "[ . 1 . 2]" 2
37 1 91 ARG H 1 110 GLU O 1.800 . 2.200 2.184 2.104 2.219 0.019 16 0 "[ . 1 . 2]" 2
38 1 91 ARG N 1 110 GLU O 2.800 2.800 3.300 3.087 3.020 3.150 . 0 0 "[ . 1 . 2]" 2
39 1 71 ALA O 1 92 ALA H 1.800 . 2.200 2.208 2.139 2.234 0.034 14 0 "[ . 1 . 2]" 2
40 1 71 ALA O 1 92 ALA N 2.800 2.800 3.300 3.038 2.806 3.188 . 0 0 "[ . 1 . 2]" 2
41 1 89 ILE O 1 112 ILE H 1.800 . 2.200 2.171 2.075 2.293 0.093 12 0 "[ . 1 . 2]" 2
42 1 89 ILE O 1 112 ILE N 2.800 2.800 3.300 2.885 2.749 3.074 0.051 7 0 "[ . 1 . 2]" 2
43 1 57 THR O 1 61 ILE H 1.800 . 2.200 2.137 2.095 2.221 0.021 11 0 "[ . 1 . 2]" 2
44 1 57 THR O 1 61 ILE N 2.800 2.800 3.300 3.044 2.933 3.188 . 0 0 "[ . 1 . 2]" 2
45 1 58 ALA O 1 62 ALA H 1.800 . 2.200 2.184 2.096 2.238 0.038 3 0 "[ . 1 . 2]" 2
46 1 58 ALA O 1 62 ALA N 2.800 2.800 3.300 3.056 2.905 3.166 . 0 0 "[ . 1 . 2]" 2
47 1 78 ALA O 1 82 LEU H 1.800 . 2.200 2.162 2.084 2.228 0.028 3 0 "[ . 1 . 2]" 2
48 1 78 ALA O 1 82 LEU N 2.800 2.800 3.300 3.120 3.047 3.198 . 0 0 "[ . 1 . 2]" 2
49 1 81 VAL O 1 85 LEU H 1.800 . 2.200 2.175 2.100 2.217 0.017 15 0 "[ . 1 . 2]" 2
50 1 81 VAL O 1 85 LEU N 2.800 2.800 3.300 3.013 2.820 3.173 . 0 0 "[ . 1 . 2]" 2
51 1 96 SER O 1 100 ASN H 1.800 . 2.200 2.140 2.089 2.209 0.009 20 0 "[ . 1 . 2]" 2
52 1 96 SER O 1 100 ASN N 2.800 2.800 3.300 3.068 2.940 3.165 . 0 0 "[ . 1 . 2]" 2
53 1 97 VAL O 1 101 LEU H 1.800 . 2.200 2.160 2.100 2.212 0.012 16 0 "[ . 1 . 2]" 2
54 1 97 VAL O 1 101 LEU N 2.800 2.800 3.300 3.014 2.883 3.126 . 0 0 "[ . 1 . 2]" 2
55 1 99 GLU O 1 103 LEU H 1.800 . 2.200 2.160 2.095 2.207 0.007 5 0 "[ . 1 . 2]" 2
56 1 99 GLU O 1 103 LEU N 2.800 2.800 3.300 2.957 2.824 3.138 . 0 0 "[ . 1 . 2]" 2
57 1 100 ASN O 1 104 PHE H 1.800 . 2.200 2.164 2.108 2.201 0.001 16 0 "[ . 1 . 2]" 2
58 1 100 ASN O 1 104 PHE N 2.800 2.800 3.300 2.994 2.783 3.113 0.017 19 0 "[ . 1 . 2]" 2
stop_
save_
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