NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
593969 |
2n6a   |
25757 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n6a
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 526
_Distance_constraint_stats_list.Viol_count 1633
_Distance_constraint_stats_list.Viol_total 1571.199
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0278
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0092
_Distance_constraint_stats_list.Viol_average_violations_only 0.0535
_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 11 ILE 0.362 0.036 3 0 "[ . 1 . ]"
1 12 ALA 0.252 0.036 3 0 "[ . 1 . ]"
1 13 GLU 1.148 0.070 8 0 "[ . 1 . ]"
1 14 PHE 2.219 0.094 15 0 "[ . 1 . ]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 16 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 17 ALA 0.475 0.102 16 0 "[ . 1 . ]"
1 18 PHE 1.334 0.168 11 0 "[ . 1 . ]"
1 19 SER 3.034 0.217 18 0 "[ . 1 . ]"
1 20 LEU 1.019 0.107 2 0 "[ . 1 . ]"
1 21 PHE 0.280 0.107 2 0 "[ . 1 . ]"
1 26 ASP 0.241 0.059 13 0 "[ . 1 . ]"
1 27 GLY 0.096 0.095 9 0 "[ . 1 . ]"
1 28 THR 1.804 0.141 9 0 "[ . 1 . ]"
1 29 ILE 2.053 0.141 9 0 "[ . 1 . ]"
1 30 THR 0.408 0.084 11 0 "[ . 1 . ]"
1 31 THR 3.285 0.132 5 0 "[ . 1 . ]"
1 32 LYS 0.862 0.128 17 0 "[ . 1 . ]"
1 33 GLU 0.220 0.084 11 0 "[ . 1 . ]"
1 34 LEU 4.632 0.200 11 0 "[ . 1 . ]"
1 35 GLY 0.547 0.097 16 0 "[ . 1 . ]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 37 VAL 5.218 0.285 11 0 "[ . 1 . ]"
1 38 MET 1.368 0.167 11 0 "[ . 1 . ]"
1 40 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 41 LEU 4.471 0.285 11 0 "[ . 1 . ]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 43 GLN 0.619 0.129 12 0 "[ . 1 . ]"
1 45 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 46 THR 0.570 0.130 16 0 "[ . 1 . ]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 50 LEU 1.162 0.130 16 0 "[ . 1 . ]"
1 51 GLN 0.050 0.033 17 0 "[ . 1 . ]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 53 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 54 ILE 2.155 0.125 12 0 "[ . 1 . ]"
1 55 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 56 GLU 1.830 0.181 17 0 "[ . 1 . ]"
1 57 VAL 4.443 0.181 17 0 "[ . 1 . ]"
1 58 ASP 0.263 0.065 17 0 "[ . 1 . ]"
1 59 ALA 0.452 0.076 14 0 "[ . 1 . ]"
1 60 ASP 0.966 0.076 14 0 "[ . 1 . ]"
1 61 GLY 0.524 0.038 2 0 "[ . 1 . ]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 64 THR 0.342 0.046 13 0 "[ . 1 . ]"
1 65 ILE 1.370 0.109 6 0 "[ . 1 . ]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 67 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 70 PHE 0.562 0.128 17 0 "[ . 1 . ]"
1 71 LEU 1.362 0.358 18 0 "[ . 1 . ]"
1 72 THR 0.843 0.127 17 0 "[ . 1 . ]"
1 73 MET 1.748 0.143 6 0 "[ . 1 . ]"
1 74 MET 0.490 0.070 2 0 "[ . 1 . ]"
1 75 ALA 0.343 0.070 2 0 "[ . 1 . ]"
1 76 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 84 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 87 ILE 2.717 0.193 9 0 "[ . 1 . ]"
1 88 ARG 1.113 0.162 3 0 "[ . 1 . ]"
1 89 GLU 0.778 0.097 9 0 "[ . 1 . ]"
1 90 ALA 0.032 0.019 15 0 "[ . 1 . ]"
1 91 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 92 ARG 0.778 0.097 9 0 "[ . 1 . ]"
1 93 VAL 0.275 0.106 9 0 "[ . 1 . ]"
1 94 PHE 3.077 0.162 18 0 "[ . 1 . ]"
1 95 ASP 0.077 0.024 17 0 "[ . 1 . ]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 97 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 98 GLY 1.216 0.138 6 0 "[ . 1 . ]"
1 99 ASN 0.000 0.000 . 0 "[ . 1 . ]"
1 100 GLY 1.216 0.138 6 0 "[ . 1 . ]"
1 101 TYR 0.012 0.007 5 0 "[ . 1 . ]"
1 102 ILE 7.813 0.162 18 0 "[ . 1 . ]"
1 103 SER 1.007 0.104 8 0 "[ . 1 . ]"
1 104 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 105 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 106 GLU 0.347 0.104 8 0 "[ . 1 . ]"
1 107 LEU 1.177 0.067 9 0 "[ . 1 . ]"
1 108 ARG 0.025 0.016 8 0 "[ . 1 . ]"
1 109 HIS 0.000 0.000 . 0 "[ . 1 . ]"
1 110 VAL 2.645 0.135 9 0 "[ . 1 . ]"
1 111 MET 2.315 0.103 3 0 "[ . 1 . ]"
1 112 THR 2.922 0.220 10 0 "[ . 1 . ]"
1 113 ASN 0.978 0.220 10 0 "[ . 1 . ]"
1 114 LEU 0.301 0.037 8 0 "[ . 1 . ]"
1 115 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 116 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 117 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 118 LEU 0.366 0.124 15 0 "[ . 1 . ]"
1 119 THR 0.092 0.035 6 0 "[ . 1 . ]"
1 120 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 121 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 122 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 123 VAL 1.183 0.124 15 0 "[ . 1 . ]"
1 124 ASP 0.492 0.071 16 0 "[ . 1 . ]"
1 125 GLU 0.492 0.071 16 0 "[ . 1 . ]"
1 126 MET 0.146 0.039 15 0 "[ . 1 . ]"
1 127 ILE 3.239 0.157 13 0 "[ . 1 . ]"
1 128 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 130 ALA 1.820 0.157 13 0 "[ . 1 . ]"
1 131 ASP 0.688 0.192 13 0 "[ . 1 . ]"
1 132 ILE 5.650 0.232 7 0 "[ . 1 . ]"
1 133 ASP 1.522 0.165 7 0 "[ . 1 . ]"
1 134 GLY 0.664 0.079 10 0 "[ . 1 . ]"
1 135 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 136 GLY 0.664 0.079 10 0 "[ . 1 . ]"
1 137 GLN 3.685 0.188 7 0 "[ . 1 . ]"
1 138 VAL 7.956 0.188 7 0 "[ . 1 . ]"
1 139 ASN 0.070 0.036 17 0 "[ . 1 . ]"
1 140 TYR 3.269 0.186 13 0 "[ . 1 . ]"
1 141 GLU 1.153 0.071 12 0 "[ . 1 . ]"
1 142 GLU 1.265 0.232 7 0 "[ . 1 . ]"
1 143 PHE 3.813 0.186 13 0 "[ . 1 . ]"
1 144 VAL 3.026 0.193 9 0 "[ . 1 . ]"
1 145 GLN 1.491 0.145 7 0 "[ . 1 . ]"
1 146 MET 0.387 0.064 15 0 "[ . 1 . ]"
1 147 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 148 THR 0.506 0.101 15 0 "[ . 1 . ]"
1 153 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 154 ALA 0.896 0.085 8 0 "[ . 1 . ]"
1 156 SER 1.259 0.125 15 0 "[ . 1 . ]"
1 157 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 158 TRP 5.807 0.156 10 0 "[ . 1 . ]"
1 159 ARG 1.259 0.125 15 0 "[ . 1 . ]"
1 160 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 161 ILE 6.863 0.156 10 0 "[ . 1 . ]"
1 162 LYS 1.603 0.109 18 0 "[ . 1 . ]"
1 163 LEU 0.489 0.051 11 0 "[ . 1 . ]"
1 164 ALA 2.206 0.146 4 0 "[ . 1 . ]"
1 165 VAL 3.628 0.169 4 0 "[ . 1 . ]"
1 166 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 167 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 168 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 170 ALA 0.081 0.050 11 0 "[ . 1 . ]"
1 171 LYS 0.002 0.002 16 0 "[ . 1 . ]"
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 1 154 ALA MB 1 158 TRP HE1 . . 4.000 3.475 3.096 3.856 . 0 0 "[ . 1 . ]" 1
2 1 17 ALA H 1 18 PHE H . . 3.500 2.765 2.649 2.879 . 0 0 "[ . 1 . ]" 1
3 1 18 PHE H 1 19 SER H . . 3.400 2.502 2.229 2.838 . 0 0 "[ . 1 . ]" 1
4 1 19 SER H 1 20 LEU H . . 3.200 2.824 2.613 2.896 . 0 0 "[ . 1 . ]" 1
5 1 14 PHE H 1 15 LYS H . . 3.200 2.751 2.609 2.871 . 0 0 "[ . 1 . ]" 1
6 1 13 GLU H 1 14 PHE H . . 3.100 2.961 2.835 3.111 0.011 4 0 "[ . 1 . ]" 1
7 1 14 PHE H 1 14 PHE QE . . 4.100 4.129 3.937 4.194 0.094 15 0 "[ . 1 . ]" 1
8 1 100 GLY H 1 101 TYR H . . 3.100 2.088 2.037 2.169 . 0 0 "[ . 1 . ]" 1
9 1 101 TYR H 1 101 TYR QD . . 3.500 3.265 2.849 3.507 0.007 5 0 "[ . 1 . ]" 1
10 1 156 SER HA 1 157 GLY H . . 3.600 3.571 3.567 3.574 . 0 0 "[ . 1 . ]" 1
11 1 157 GLY H 1 158 TRP H . . 4.100 2.970 2.852 3.022 . 0 0 "[ . 1 . ]" 1
12 1 142 GLU H 1 143 PHE H . . 3.200 2.362 2.266 2.462 . 0 0 "[ . 1 . ]" 1
13 1 140 TYR HA 1 143 PHE H . . 3.100 3.196 3.120 3.286 0.186 13 0 "[ . 1 . ]" 1
14 1 96 LYS H 1 97 ASP H . . 3.200 2.939 2.654 3.090 . 0 0 "[ . 1 . ]" 1
15 1 91 PHE H 1 92 ARG H . . 3.100 2.657 2.575 2.686 . 0 0 "[ . 1 . ]" 1
16 1 89 GLU HA 1 92 ARG H . . 3.600 3.635 3.524 3.697 0.097 9 0 "[ . 1 . ]" 1
17 1 69 GLU H 1 70 PHE H . . 3.500 3.001 2.485 3.177 . 0 0 "[ . 1 . ]" 1
18 1 70 PHE H 1 71 LEU H . . 3.700 2.865 2.696 3.005 . 0 0 "[ . 1 . ]" 1
19 1 66 ASP HA 1 67 PHE H . . 3.700 2.613 2.514 2.716 . 0 0 "[ . 1 . ]" 1
20 1 161 ILE H 1 162 LYS H . . 3.500 2.744 2.676 2.811 . 0 0 "[ . 1 . ]" 1
21 1 158 TRP HA 1 161 ILE H . . 4.100 3.842 3.682 3.948 . 0 0 "[ . 1 . ]" 1
22 1 160 LYS HA 1 161 ILE H . . 3.800 3.564 3.550 3.570 . 0 0 "[ . 1 . ]" 1
23 1 161 ILE H 1 161 ILE HB . . 3.000 2.585 2.565 2.602 . 0 0 "[ . 1 . ]" 1
24 1 53 MET HA 1 54 ILE H . . 3.600 3.570 3.565 3.572 . 0 0 "[ . 1 . ]" 1
25 1 54 ILE H 1 54 ILE HB . . 3.000 2.565 2.387 2.632 . 0 0 "[ . 1 . ]" 1
26 1 31 THR MG 1 54 ILE H . . 4.200 4.174 3.980 4.258 0.058 11 0 "[ . 1 . ]" 1
27 1 26 ASP H 1 28 THR H . . 3.500 3.483 3.387 3.559 0.059 13 0 "[ . 1 . ]" 1
28 1 28 THR HA 1 29 ILE H . . 3.100 2.421 2.368 2.534 . 0 0 "[ . 1 . ]" 1
29 1 29 ILE HA 1 30 THR H . . 3.200 2.152 2.139 2.182 . 0 0 "[ . 1 . ]" 1
30 1 30 THR HA 1 31 THR H . . 2.900 2.434 2.362 2.527 . 0 0 "[ . 1 . ]" 1
31 1 29 ILE H 1 64 THR HB . . 4.100 3.745 3.301 4.067 . 0 0 "[ . 1 . ]" 1
32 1 28 THR HB 1 29 ILE H . . 3.700 3.654 2.142 3.812 0.112 13 0 "[ . 1 . ]" 1
33 1 29 ILE H 1 29 ILE HB . . 3.600 2.760 2.694 2.977 . 0 0 "[ . 1 . ]" 1
34 1 29 ILE H 1 29 ILE MD . . 3.600 3.223 2.291 3.610 0.010 2 0 "[ . 1 . ]" 1
35 1 29 ILE MG 1 30 THR H . . 3.500 2.571 2.194 3.011 . 0 0 "[ . 1 . ]" 1
36 1 35 GLY H 1 37 VAL H . . 4.600 4.036 3.919 4.165 . 0 0 "[ . 1 . ]" 1
37 1 35 GLY H 1 50 LEU MD2 . . 3.000 3.028 2.969 3.097 0.097 16 0 "[ . 1 . ]" 1
38 1 37 VAL H 1 37 VAL MG1 . . 3.700 3.751 3.735 3.760 0.060 2 0 "[ . 1 . ]" 1
39 1 37 VAL H 1 37 VAL MG2 . . 3.100 2.283 2.110 2.501 . 0 0 "[ . 1 . ]" 1
40 1 37 VAL H 1 37 VAL HB . . 3.200 2.459 2.398 2.515 . 0 0 "[ . 1 . ]" 1
41 1 36 THR HA 1 37 VAL H . . 3.800 3.515 3.479 3.546 . 0 0 "[ . 1 . ]" 1
42 1 37 VAL H 1 38 MET H . . 3.500 2.826 2.591 3.062 . 0 0 "[ . 1 . ]" 1
43 1 36 THR H 1 37 VAL H . . 3.400 2.692 2.569 2.788 . 0 0 "[ . 1 . ]" 1
44 1 35 GLY H 1 36 THR H . . 3.200 3.022 2.943 3.101 . 0 0 "[ . 1 . ]" 1
45 1 36 THR H 1 36 THR HA . . 3.000 2.797 2.764 2.834 . 0 0 "[ . 1 . ]" 1
46 1 36 THR H 1 36 THR HB . . 3.100 2.673 2.511 2.916 . 0 0 "[ . 1 . ]" 1
47 1 16 GLU H 1 17 ALA H . . 3.200 2.624 2.488 2.822 . 0 0 "[ . 1 . ]" 1
48 1 14 PHE HA 1 17 ALA H . . 4.000 3.389 3.254 3.616 . 0 0 "[ . 1 . ]" 1
49 1 17 ALA H 1 17 ALA HA . . 3.100 2.779 2.747 2.811 . 0 0 "[ . 1 . ]" 1
50 1 17 ALA H 1 17 ALA MB . . 2.900 2.087 2.027 2.141 . 0 0 "[ . 1 . ]" 1
51 1 17 ALA MB 1 18 PHE H . . 3.100 2.643 2.356 2.833 . 0 0 "[ . 1 . ]" 1
52 1 102 ILE H 1 102 ILE MG . . 3.700 3.773 3.738 3.799 0.099 17 0 "[ . 1 . ]" 1
53 1 102 ILE H 1 138 VAL MG1 . . 3.500 3.613 3.585 3.644 0.144 12 0 "[ . 1 . ]" 1
54 1 102 ILE H 1 102 ILE HB . . 3.400 2.474 2.401 2.553 . 0 0 "[ . 1 . ]" 1
55 1 101 TYR HA 1 102 ILE H . . 3.200 2.205 2.155 2.444 . 0 0 "[ . 1 . ]" 1
56 1 101 TYR QD 1 102 ILE H . . 4.200 4.015 3.827 4.201 0.001 1 0 "[ . 1 . ]" 1
57 1 101 TYR H 1 102 ILE H . . 4.800 4.243 4.155 4.405 . 0 0 "[ . 1 . ]" 1
58 1 102 ILE HA 1 103 SER H . . 3.100 2.147 2.139 2.172 . 0 0 "[ . 1 . ]" 1
59 1 103 SER H 1 107 LEU H . . 4.200 4.200 4.008 4.261 0.061 10 0 "[ . 1 . ]" 1
60 1 103 SER H 1 106 GLU H . . 3.800 3.744 3.547 3.904 0.104 8 0 "[ . 1 . ]" 1
61 1 102 ILE HB 1 103 SER H . . 4.300 4.278 4.171 4.358 0.058 6 0 "[ . 1 . ]" 1
62 1 102 ILE MG 1 103 SER H . . 3.500 2.576 2.239 2.816 . 0 0 "[ . 1 . ]" 1
63 1 92 ARG H 1 93 VAL H . . 3.400 2.430 2.321 2.526 . 0 0 "[ . 1 . ]" 1
64 1 12 ALA H 1 12 ALA HA . . 2.900 2.757 2.745 2.798 . 0 0 "[ . 1 . ]" 1
65 1 12 ALA H 1 12 ALA MB . . 2.600 2.107 2.030 2.236 . 0 0 "[ . 1 . ]" 1
66 1 12 ALA H 1 13 GLU H . . 3.000 2.864 2.769 2.903 . 0 0 "[ . 1 . ]" 1
67 1 13 GLU H 1 13 GLU HA . . 2.900 2.759 2.751 2.767 . 0 0 "[ . 1 . ]" 1
68 1 14 PHE H 1 163 LEU MD2 . . 4.200 4.084 3.679 4.243 0.043 13 0 "[ . 1 . ]" 1
69 1 13 GLU HA 1 14 PHE H . . 3.500 3.563 3.544 3.570 0.070 8 0 "[ . 1 . ]" 1
70 1 15 LYS H 1 16 GLU H . . 3.200 2.925 2.834 3.051 . 0 0 "[ . 1 . ]" 1
71 1 16 GLU H 1 16 GLU HA . . 3.000 2.827 2.761 2.862 . 0 0 "[ . 1 . ]" 1
72 1 15 LYS H 1 15 LYS HA . . 3.100 2.756 2.746 2.773 . 0 0 "[ . 1 . ]" 1
73 1 19 SER H 1 19 SER HA . . 2.600 2.769 2.751 2.817 0.217 18 0 "[ . 1 . ]" 1
74 1 20 LEU H 1 20 LEU HA . . 2.900 2.833 2.745 2.868 . 0 0 "[ . 1 . ]" 1
75 1 133 ASP H 1 134 GLY H . . 2.900 2.314 2.109 2.533 . 0 0 "[ . 1 . ]" 1
76 1 26 ASP H 1 27 GLY H . . 3.000 2.249 2.036 2.502 . 0 0 "[ . 1 . ]" 1
77 1 63 GLY H 1 64 THR H . . 3.000 2.397 2.052 2.705 . 0 0 "[ . 1 . ]" 1
78 1 27 GLY H 1 28 THR H . . 3.000 2.132 2.021 2.339 . 0 0 "[ . 1 . ]" 1
79 1 27 GLY H 1 28 THR MG . . 4.200 3.914 3.525 4.295 0.095 9 0 "[ . 1 . ]" 1
80 1 28 THR H 1 28 THR MG . . 3.000 2.572 2.262 3.039 0.039 9 0 "[ . 1 . ]" 1
81 1 28 THR MG 1 29 ILE H . . 3.500 3.442 3.040 3.641 0.141 9 0 "[ . 1 . ]" 1
82 1 29 ILE HB 1 30 THR H . . 4.200 4.177 4.001 4.265 0.065 15 0 "[ . 1 . ]" 1
83 1 31 THR H 1 31 THR HB . . 3.600 3.541 3.451 3.617 0.017 16 0 "[ . 1 . ]" 1
84 1 31 THR H 1 54 ILE MD . . 3.600 3.535 3.285 3.637 0.037 14 0 "[ . 1 . ]" 1
85 1 33 GLU H 1 34 LEU H . . 3.600 3.029 2.923 3.089 . 0 0 "[ . 1 . ]" 1
86 1 30 THR H 1 33 GLU H . . 4.200 3.591 3.396 3.900 . 0 0 "[ . 1 . ]" 1
87 1 30 THR MG 1 33 GLU H . . 4.000 2.534 1.877 4.084 0.084 11 0 "[ . 1 . ]" 1
88 1 29 ILE MG 1 33 GLU H . . 4.100 3.730 3.360 4.142 0.042 17 0 "[ . 1 . ]" 1
89 1 29 ILE MG 1 34 LEU H . . 3.000 2.449 2.209 2.909 . 0 0 "[ . 1 . ]" 1
90 1 130 ALA H 1 131 ASP H . . 2.800 2.492 2.339 2.564 . 0 0 "[ . 1 . ]" 1
91 1 37 VAL MG1 1 38 MET H . . 3.800 3.057 2.648 3.531 . 0 0 "[ . 1 . ]" 1
92 1 37 VAL MG2 1 38 MET H . . 3.800 3.833 3.721 3.967 0.167 11 0 "[ . 1 . ]" 1
93 1 37 VAL HA 1 38 MET H . . 4.100 3.560 3.523 3.572 . 0 0 "[ . 1 . ]" 1
94 1 40 SER HA 1 41 LEU H . . 3.700 3.350 3.247 3.438 . 0 0 "[ . 1 . ]" 1
95 1 41 LEU H 1 42 GLY H . . 3.200 2.639 2.319 2.720 . 0 0 "[ . 1 . ]" 1
96 1 41 LEU H 1 43 GLN H . . 3.100 3.128 3.008 3.229 0.129 12 0 "[ . 1 . ]" 1
97 1 42 GLY H 1 43 GLN H . . 3.100 2.462 2.166 2.610 . 0 0 "[ . 1 . ]" 1
98 1 41 LEU HA 1 42 GLY H . . 3.500 3.073 3.043 3.311 . 0 0 "[ . 1 . ]" 1
99 1 46 THR HA 1 47 GLU H . . 3.200 2.524 2.400 2.598 . 0 0 "[ . 1 . ]" 1
100 1 45 PRO HA 1 46 THR H . . 2.900 2.204 2.153 2.353 . 0 0 "[ . 1 . ]" 1
101 1 46 THR H 1 46 THR HB . . 3.700 3.387 2.892 3.707 0.007 10 0 "[ . 1 . ]" 1
102 1 46 THR H 1 46 THR MG . . 3.000 2.585 1.947 2.978 . 0 0 "[ . 1 . ]" 1
103 1 46 THR H 1 50 LEU MD2 . . 4.400 4.429 4.369 4.530 0.130 16 0 "[ . 1 . ]" 1
104 1 46 THR MG 1 47 GLU H . . 3.500 3.277 2.949 3.464 . 0 0 "[ . 1 . ]" 1
105 1 48 ALA H 1 48 ALA MB . . 2.800 2.129 2.025 2.235 . 0 0 "[ . 1 . ]" 1
106 1 75 ALA H 1 76 ARG H . . 3.500 2.745 2.654 2.793 . 0 0 "[ . 1 . ]" 1
107 1 76 ARG H 1 77 LYS H . . 3.500 2.746 2.673 3.056 . 0 0 "[ . 1 . ]" 1
108 1 50 LEU H 1 50 LEU MD2 . . 2.800 2.646 2.387 2.828 0.028 12 0 "[ . 1 . ]" 1
109 1 52 ASP H 1 53 MET H . . 3.000 2.902 2.828 2.997 . 0 0 "[ . 1 . ]" 1
110 1 52 ASP H 1 52 ASP HA . . 3.100 2.799 2.780 2.818 . 0 0 "[ . 1 . ]" 1
111 1 51 GLN HA 1 52 ASP H . . 3.700 3.533 3.515 3.554 . 0 0 "[ . 1 . ]" 1
112 1 53 MET H 1 54 ILE H . . 3.500 2.987 2.930 3.076 . 0 0 "[ . 1 . ]" 1
113 1 55 ASN H 1 55 ASN HA . . 3.000 2.791 2.769 2.824 . 0 0 "[ . 1 . ]" 1
114 1 54 ILE HA 1 55 ASN H . . 3.800 3.570 3.555 3.574 . 0 0 "[ . 1 . ]" 1
115 1 55 ASN H 1 56 GLU H . . 3.400 2.674 2.593 2.730 . 0 0 "[ . 1 . ]" 1
116 1 56 GLU H 1 57 VAL H . . 2.800 2.326 2.257 2.390 . 0 0 "[ . 1 . ]" 1
117 1 56 GLU H 1 56 GLU HA . . 3.000 2.894 2.881 2.908 . 0 0 "[ . 1 . ]" 1
118 1 57 VAL H 1 57 VAL MG2 . . 2.900 2.162 2.081 2.264 . 0 0 "[ . 1 . ]" 1
119 1 58 ASP H 1 59 ALA H . . 4.300 4.019 3.761 4.307 0.007 13 0 "[ . 1 . ]" 1
120 1 59 ALA H 1 59 ALA MB . . 2.900 2.286 2.240 2.311 . 0 0 "[ . 1 . ]" 1
121 1 59 ALA H 1 60 ASP H . . 3.100 2.353 2.263 2.583 . 0 0 "[ . 1 . ]" 1
122 1 59 ALA HA 1 60 ASP H . . 3.600 3.412 3.382 3.534 . 0 0 "[ . 1 . ]" 1
123 1 59 ALA MB 1 60 ASP H . . 3.000 2.994 2.561 3.076 0.076 14 0 "[ . 1 . ]" 1
124 1 60 ASP HA 1 61 GLY H . . 3.500 3.526 3.453 3.538 0.038 2 0 "[ . 1 . ]" 1
125 1 64 THR H 1 64 THR MG . . 3.100 2.879 2.469 3.130 0.030 16 0 "[ . 1 . ]" 1
126 1 62 ASN HA 1 63 GLY H . . 3.700 3.324 3.139 3.437 . 0 0 "[ . 1 . ]" 1
127 1 65 ILE HA 1 66 ASP H . . 3.100 2.166 2.139 2.222 . 0 0 "[ . 1 . ]" 1
128 1 29 ILE H 1 65 ILE H . . 3.800 2.699 2.468 3.267 . 0 0 "[ . 1 . ]" 1
129 1 71 LEU H 1 72 THR H . . 3.600 2.839 2.618 3.027 . 0 0 "[ . 1 . ]" 1
130 1 71 LEU H 1 71 LEU MD1 . . 3.600 3.634 3.523 3.850 0.250 18 0 "[ . 1 . ]" 1
131 1 72 THR H 1 73 MET H . . 3.500 2.667 2.517 2.784 . 0 0 "[ . 1 . ]" 1
132 1 72 THR H 1 72 THR HB . . 3.500 2.779 2.473 3.605 0.105 15 0 "[ . 1 . ]" 1
133 1 73 MET H 1 74 MET H . . 3.500 2.839 2.502 2.982 . 0 0 "[ . 1 . ]" 1
134 1 73 MET HA 1 74 MET H . . 4.100 3.547 3.424 3.571 . 0 0 "[ . 1 . ]" 1
135 1 72 THR MG 1 73 MET H . . 3.500 3.382 2.132 3.627 0.127 17 0 "[ . 1 . ]" 1
136 1 72 THR HA 1 73 MET H . . 3.600 3.548 3.513 3.562 . 0 0 "[ . 1 . ]" 1
137 1 75 ALA H 1 75 ALA MB . . 2.900 2.214 2.086 2.235 . 0 0 "[ . 1 . ]" 1
138 1 87 ILE H 1 88 ARG H . . 3.400 3.165 3.121 3.188 . 0 0 "[ . 1 . ]" 1
139 1 88 ARG H 1 89 GLU H . . 3.400 2.908 2.851 2.983 . 0 0 "[ . 1 . ]" 1
140 1 87 ILE MD 1 88 ARG H . . 4.300 4.172 3.783 4.462 0.162 3 0 "[ . 1 . ]" 1
141 1 87 ILE HA 1 88 ARG H . . 4.100 3.563 3.562 3.566 . 0 0 "[ . 1 . ]" 1
142 1 89 GLU H 1 90 ALA H . . 3.000 2.772 2.730 2.816 . 0 0 "[ . 1 . ]" 1
143 1 89 GLU H 1 89 GLU HA . . 3.100 2.771 2.749 2.792 . 0 0 "[ . 1 . ]" 1
144 1 92 ARG H 1 94 PHE H . . 4.000 3.664 3.648 3.697 . 0 0 "[ . 1 . ]" 1
145 1 92 ARG H 1 93 VAL MG2 . . 4.300 3.657 3.530 3.737 . 0 0 "[ . 1 . ]" 1
146 1 90 ALA HA 1 93 VAL H . . 3.500 3.456 3.412 3.489 . 0 0 "[ . 1 . ]" 1
147 1 93 VAL H 1 93 VAL MG2 . . 2.900 2.095 2.020 2.120 . 0 0 "[ . 1 . ]" 1
148 1 94 PHE H 1 102 ILE MD . . 3.700 3.832 3.787 3.862 0.162 18 0 "[ . 1 . ]" 1
149 1 95 ASP HA 1 96 LYS H . . 3.000 2.251 2.241 2.299 . 0 0 "[ . 1 . ]" 1
150 1 97 ASP H 1 98 GLY H . . 3.000 2.470 1.968 2.543 . 0 0 "[ . 1 . ]" 1
151 1 99 ASN H 1 100 GLY H . . 3.100 2.508 2.290 2.564 . 0 0 "[ . 1 . ]" 1
152 1 98 GLY H 1 100 GLY H . . 4.300 4.362 4.246 4.438 0.138 6 0 "[ . 1 . ]" 1
153 1 99 ASN HA 1 100 GLY H . . 4.100 3.405 3.356 3.431 . 0 0 "[ . 1 . ]" 1
154 1 103 SER HA 1 104 ALA H . . 3.400 2.456 2.361 2.613 . 0 0 "[ . 1 . ]" 1
155 1 104 ALA H 1 104 ALA MB . . 3.500 2.145 2.031 2.236 . 0 0 "[ . 1 . ]" 1
156 1 106 GLU H 1 106 GLU HA . . 3.100 2.782 2.755 2.804 . 0 0 "[ . 1 . ]" 1
157 1 105 ALA MB 1 106 GLU H . . 3.100 2.306 2.117 2.453 . 0 0 "[ . 1 . ]" 1
158 1 106 GLU H 1 107 LEU H . . 3.500 2.819 2.696 3.010 . 0 0 "[ . 1 . ]" 1
159 1 107 LEU H 1 107 LEU HA . . 3.100 2.794 2.753 2.831 . 0 0 "[ . 1 . ]" 1
160 1 102 ILE MG 1 107 LEU H . . 3.200 2.937 2.634 3.151 . 0 0 "[ . 1 . ]" 1
161 1 108 ARG H 1 109 HIS H . . 3.400 2.821 2.767 2.960 . 0 0 "[ . 1 . ]" 1
162 1 145 GLN H 1 146 MET H . . 3.200 2.591 2.326 2.696 . 0 0 "[ . 1 . ]" 1
163 1 110 VAL H 1 111 MET H . . 3.500 2.676 2.570 2.840 . 0 0 "[ . 1 . ]" 1
164 1 108 ARG HA 1 111 MET H . . 4.000 3.632 3.443 3.836 . 0 0 "[ . 1 . ]" 1
165 1 110 VAL HA 1 111 MET H . . 4.200 3.542 3.484 3.571 . 0 0 "[ . 1 . ]" 1
166 1 110 VAL MG1 1 111 MET H . . 3.700 3.230 2.937 3.586 . 0 0 "[ . 1 . ]" 1
167 1 110 VAL HA 1 113 ASN H . . 4.000 3.846 3.453 4.047 0.047 4 0 "[ . 1 . ]" 1
168 1 112 THR HB 1 113 ASN H . . 3.800 3.000 2.482 3.924 0.124 11 0 "[ . 1 . ]" 1
169 1 113 ASN H 1 114 LEU H . . 3.200 2.816 2.687 3.009 . 0 0 "[ . 1 . ]" 1
170 1 112 THR H 1 113 ASN H . . 3.200 2.614 2.426 2.840 . 0 0 "[ . 1 . ]" 1
171 1 115 GLY H 1 116 GLU H . . 2.900 2.273 2.023 2.502 . 0 0 "[ . 1 . ]" 1
172 1 116 GLU HA 1 117 LYS H . . 3.400 2.215 2.139 2.563 . 0 0 "[ . 1 . ]" 1
173 1 118 LEU HA 1 119 THR H . . 2.900 2.357 2.167 2.510 . 0 0 "[ . 1 . ]" 1
174 1 119 THR H 1 122 GLU H . . 3.700 3.333 3.083 3.588 . 0 0 "[ . 1 . ]" 1
175 1 119 THR HA 1 120 ASP H . . 3.600 2.435 2.343 2.591 . 0 0 "[ . 1 . ]" 1
176 1 119 THR MG 1 120 ASP H . . 4.100 2.802 1.919 3.647 . 0 0 "[ . 1 . ]" 1
177 1 121 GLU H 1 122 GLU H . . 3.500 2.688 2.651 2.776 . 0 0 "[ . 1 . ]" 1
178 1 120 ASP H 1 121 GLU H . . 4.200 2.793 2.760 2.830 . 0 0 "[ . 1 . ]" 1
179 1 119 THR H 1 123 VAL H . . 4.300 4.265 4.081 4.335 0.035 6 0 "[ . 1 . ]" 1
180 1 124 ASP H 1 124 ASP HA . . 3.000 2.781 2.753 2.805 . 0 0 "[ . 1 . ]" 1
181 1 124 ASP HA 1 125 GLU H . . 3.500 3.523 3.476 3.571 0.071 16 0 "[ . 1 . ]" 1
182 1 127 ILE HA 1 128 ARG H . . 4.000 3.543 3.502 3.571 . 0 0 "[ . 1 . ]" 1
183 1 130 ALA H 1 158 TRP HE1 . . 3.700 3.408 3.109 3.564 . 0 0 "[ . 1 . ]" 1
184 1 130 ALA H 1 130 ALA HA . . 3.100 2.873 2.843 2.908 . 0 0 "[ . 1 . ]" 1
185 1 132 ILE HA 1 133 ASP H . . 3.500 3.490 3.378 3.555 0.055 9 0 "[ . 1 . ]" 1
186 1 132 ILE H 1 133 ASP H . . 3.000 2.602 2.473 2.734 . 0 0 "[ . 1 . ]" 1
187 1 134 GLY H 1 135 ASP H . . 3.100 2.689 2.602 2.801 . 0 0 "[ . 1 . ]" 1
188 1 135 ASP H 1 137 GLN H . . 3.600 3.261 3.152 3.383 . 0 0 "[ . 1 . ]" 1
189 1 135 ASP H 1 136 GLY H . . 3.000 2.392 2.106 2.612 . 0 0 "[ . 1 . ]" 1
190 1 127 ILE MG 1 136 GLY H . . 3.700 3.363 2.730 3.669 . 0 0 "[ . 1 . ]" 1
191 1 135 ASP HA 1 136 GLY H . . 3.700 3.238 3.100 3.405 . 0 0 "[ . 1 . ]" 1
192 1 127 ILE MG 1 137 GLN H . . 3.600 3.603 3.232 3.704 0.104 6 0 "[ . 1 . ]" 1
193 1 127 ILE MD 1 138 VAL H . . 3.700 3.313 3.172 3.460 . 0 0 "[ . 1 . ]" 1
194 1 138 VAL H 1 138 VAL MG2 . . 3.200 2.768 2.632 2.849 . 0 0 "[ . 1 . ]" 1
195 1 138 VAL H 1 138 VAL MG1 . . 3.700 3.701 3.678 3.717 0.017 11 0 "[ . 1 . ]" 1
196 1 102 ILE HB 1 138 VAL H . . 3.100 3.157 3.058 3.194 0.094 18 0 "[ . 1 . ]" 1
197 1 138 VAL H 1 138 VAL HB . . 3.200 2.371 2.326 2.421 . 0 0 "[ . 1 . ]" 1
198 1 137 GLN HA 1 138 VAL H . . 3.100 2.163 2.156 2.180 . 0 0 "[ . 1 . ]" 1
199 1 102 ILE H 1 138 VAL H . . 3.800 2.806 2.423 3.118 . 0 0 "[ . 1 . ]" 1
200 1 139 ASN H 1 142 GLU H . . 4.200 4.008 3.727 4.236 0.036 17 0 "[ . 1 . ]" 1
201 1 138 VAL HA 1 139 ASN H . . 3.000 2.153 2.141 2.181 . 0 0 "[ . 1 . ]" 1
202 1 138 VAL MG1 1 139 ASN H . . 3.500 2.693 2.292 3.043 . 0 0 "[ . 1 . ]" 1
203 1 136 GLY H 1 137 GLN H . . 3.000 2.408 2.123 2.611 . 0 0 "[ . 1 . ]" 1
204 1 134 GLY H 1 136 GLY H . . 4.300 4.336 4.286 4.379 0.079 10 0 "[ . 1 . ]" 1
205 1 141 GLU H 1 142 GLU H . . 3.200 2.878 2.751 3.015 . 0 0 "[ . 1 . ]" 1
206 1 141 GLU HA 1 142 GLU H . . 3.800 3.536 3.475 3.571 . 0 0 "[ . 1 . ]" 1
207 1 132 ILE MD 1 142 GLU H . . 4.200 4.266 4.206 4.432 0.232 7 0 "[ . 1 . ]" 1
208 1 142 GLU HA 1 143 PHE H . . 4.100 3.479 3.440 3.501 . 0 0 "[ . 1 . ]" 1
209 1 143 PHE H 1 144 VAL MG1 . . 4.200 4.007 3.758 4.159 . 0 0 "[ . 1 . ]" 1
210 1 144 VAL H 1 144 VAL MG1 . . 2.900 2.067 1.909 2.218 . 0 0 "[ . 1 . ]" 1
211 1 143 PHE HA 1 144 VAL H . . 3.700 3.545 3.501 3.568 . 0 0 "[ . 1 . ]" 1
212 1 18 PHE H 1 18 PHE QD . . 3.800 3.712 3.001 3.968 0.168 11 0 "[ . 1 . ]" 1
213 1 143 PHE QD 1 144 VAL H . . 3.400 3.070 2.608 3.363 . 0 0 "[ . 1 . ]" 1
214 1 143 PHE H 1 144 VAL H . . 3.400 2.756 2.468 2.893 . 0 0 "[ . 1 . ]" 1
215 1 144 VAL MG1 1 145 GLN H . . 3.700 3.696 2.136 3.845 0.145 7 0 "[ . 1 . ]" 1
216 1 146 MET H 1 147 MET H . . 3.100 2.615 2.487 2.652 . 0 0 "[ . 1 . ]" 1
217 1 145 GLN HA 1 146 MET H . . 3.600 3.434 3.418 3.477 . 0 0 "[ . 1 . ]" 1
218 1 144 VAL HA 1 146 MET H . . 4.400 3.684 3.493 4.061 . 0 0 "[ . 1 . ]" 1
219 1 145 GLN HA 1 147 MET H . . 4.300 3.535 3.433 4.042 . 0 0 "[ . 1 . ]" 1
220 1 147 MET H 1 148 THR MG . . 3.500 3.063 2.863 3.419 . 0 0 "[ . 1 . ]" 1
221 1 148 THR H 1 148 THR MG . . 3.200 2.463 2.186 2.631 . 0 0 "[ . 1 . ]" 1
222 1 153 ALA H 1 153 ALA MB . . 3.400 2.139 2.030 2.349 . 0 0 "[ . 1 . ]" 1
223 1 154 ALA H 1 154 ALA MB . . 3.500 2.157 2.137 2.195 . 0 0 "[ . 1 . ]" 1
224 1 153 ALA HA 1 154 ALA H . . 4.100 2.623 2.610 2.637 . 0 0 "[ . 1 . ]" 1
225 1 154 ALA MB 1 158 TRP H . . 4.000 4.050 4.023 4.085 0.085 8 0 "[ . 1 . ]" 1
226 1 158 TRP H 1 159 ARG H . . 3.100 2.725 2.567 2.785 . 0 0 "[ . 1 . ]" 1
227 1 156 SER HA 1 159 ARG H . . 3.600 3.664 3.538 3.725 0.125 15 0 "[ . 1 . ]" 1
228 1 160 LYS H 1 161 ILE H . . 3.600 2.851 2.697 2.914 . 0 0 "[ . 1 . ]" 1
229 1 161 ILE MD 1 162 LYS H . . 4.200 4.263 4.227 4.287 0.087 11 0 "[ . 1 . ]" 1
230 1 164 ALA H 1 165 VAL H . . 3.400 2.673 2.535 2.756 . 0 0 "[ . 1 . ]" 1
231 1 165 VAL H 1 166 ARG H . . 3.100 2.552 2.403 2.685 . 0 0 "[ . 1 . ]" 1
232 1 164 ALA H 1 164 ALA HA . . 3.100 2.830 2.795 2.862 . 0 0 "[ . 1 . ]" 1
233 1 164 ALA H 1 164 ALA MB . . 2.800 2.053 2.026 2.125 . 0 0 "[ . 1 . ]" 1
234 1 20 LEU MD1 1 164 ALA H . . 3.400 3.419 3.326 3.496 0.096 16 0 "[ . 1 . ]" 1
235 1 162 LYS HA 1 165 VAL H . . 3.600 3.607 3.500 3.709 0.109 18 0 "[ . 1 . ]" 1
236 1 164 ALA MB 1 165 VAL H . . 3.100 2.564 2.425 2.682 . 0 0 "[ . 1 . ]" 1
237 1 166 ARG H 1 167 GLY H . . 3.200 2.516 2.334 2.788 . 0 0 "[ . 1 . ]" 1
238 1 163 LEU HA 1 166 ARG H . . 3.800 3.536 3.310 3.710 . 0 0 "[ . 1 . ]" 1
239 1 167 GLY H 1 168 ALA H . . 3.000 2.533 2.314 2.750 . 0 0 "[ . 1 . ]" 1
240 1 166 ARG HA 1 167 GLY H . . 4.000 3.529 3.469 3.574 . 0 0 "[ . 1 . ]" 1
241 1 131 ASP H 1 132 ILE H . . 4.200 4.202 4.090 4.392 0.192 13 0 "[ . 1 . ]" 1
242 1 131 ASP HA 1 132 ILE H . . 3.000 2.162 2.140 2.197 . 0 0 "[ . 1 . ]" 1
243 1 132 ILE H 1 132 ILE MD . . 3.200 2.560 1.838 3.319 0.119 16 0 "[ . 1 . ]" 1
244 1 170 ALA MB 1 171 LYS H . . 3.100 2.413 1.937 3.102 0.002 16 0 "[ . 1 . ]" 1
245 1 137 GLN H 1 138 VAL H . . 4.200 4.325 4.270 4.388 0.188 7 0 "[ . 1 . ]" 1
246 1 140 TYR QD 1 141 GLU H . . 3.700 3.456 3.014 3.724 0.024 12 0 "[ . 1 . ]" 1
247 1 141 GLU H 1 141 GLU HA . . 3.100 2.749 2.740 2.763 . 0 0 "[ . 1 . ]" 1
248 1 140 TYR HA 1 141 GLU H . . 3.500 3.556 3.539 3.571 0.071 12 0 "[ . 1 . ]" 1
249 1 138 VAL MG1 1 143 PHE H . . 3.400 3.478 3.409 3.542 0.142 15 0 "[ . 1 . ]" 1
250 1 144 VAL H 1 145 GLN H . . 3.400 2.546 2.419 2.643 . 0 0 "[ . 1 . ]" 1
251 1 126 MET ME 1 158 TRP H . . 3.500 2.968 2.589 3.126 . 0 0 "[ . 1 . ]" 1
252 1 111 MET ME 1 158 TRP H . . 4.000 4.057 4.013 4.103 0.103 3 0 "[ . 1 . ]" 1
253 1 127 ILE HA 1 158 TRP HE1 . . 4.400 4.322 4.013 4.432 0.032 6 0 "[ . 1 . ]" 1
254 1 159 ARG H 1 160 LYS H . . 3.500 2.698 2.596 2.773 . 0 0 "[ . 1 . ]" 1
255 1 161 ILE HA 1 164 ALA H . . 4.000 3.526 3.440 3.613 . 0 0 "[ . 1 . ]" 1
256 1 161 ILE HA 1 162 LYS H . . 4.300 3.546 3.535 3.556 . 0 0 "[ . 1 . ]" 1
257 1 14 PHE H 1 14 PHE QD . . 3.200 2.909 2.451 2.982 . 0 0 "[ . 1 . ]" 1
258 1 140 TYR H 1 141 GLU H . . 3.500 2.719 2.632 2.848 . 0 0 "[ . 1 . ]" 1
259 1 14 PHE HA 1 15 LYS H . . 4.200 3.545 3.530 3.561 . 0 0 "[ . 1 . ]" 1
260 1 20 LEU MD1 1 21 PHE H . . 4.100 3.342 2.707 4.207 0.107 2 0 "[ . 1 . ]" 1
261 1 28 THR H 1 29 ILE H . . 4.400 4.366 4.331 4.440 0.040 6 0 "[ . 1 . ]" 1
262 1 31 THR H 1 31 THR MG . . 3.000 2.715 2.140 3.055 0.055 11 0 "[ . 1 . ]" 1
263 1 31 THR MG 1 32 LYS H . . 4.100 4.132 3.934 4.228 0.128 17 0 "[ . 1 . ]" 1
264 1 47 GLU H 1 48 ALA H . . 4.000 2.802 2.527 2.922 . 0 0 "[ . 1 . ]" 1
265 1 54 ILE MG 1 55 ASN H . . 3.400 3.020 2.686 3.336 . 0 0 "[ . 1 . ]" 1
266 1 54 ILE HB 1 55 ASN H . . 3.100 2.253 2.145 2.470 . 0 0 "[ . 1 . ]" 1
267 1 56 GLU HA 1 57 VAL H . . 3.700 3.455 3.425 3.495 . 0 0 "[ . 1 . ]" 1
268 1 56 GLU HA 1 58 ASP H . . 4.300 3.917 3.824 4.237 . 0 0 "[ . 1 . ]" 1
269 1 57 VAL H 1 58 ASP H . . 3.000 2.479 2.132 2.573 . 0 0 "[ . 1 . ]" 1
270 1 57 VAL MG2 1 58 ASP H . . 3.400 3.350 2.334 3.465 0.065 17 0 "[ . 1 . ]" 1
271 1 58 ASP HA 1 59 ALA H . . 3.000 2.169 2.139 2.209 . 0 0 "[ . 1 . ]" 1
272 1 54 ILE MG 1 64 THR H . . 3.700 3.120 2.777 3.683 . 0 0 "[ . 1 . ]" 1
273 1 101 TYR HA 1 101 TYR QE . . 5.000 4.657 4.556 4.814 . 0 0 "[ . 1 . ]" 1
274 1 88 ARG H 1 140 TYR QE . . 4.700 3.513 2.889 4.086 . 0 0 "[ . 1 . ]" 1
275 1 140 TYR QE 1 143 PHE QD . . 4.800 3.974 3.562 4.337 . 0 0 "[ . 1 . ]" 1
276 1 140 TYR QE 1 143 PHE QE . . 5.000 4.696 4.381 5.004 0.004 18 0 "[ . 1 . ]" 1
277 1 88 ARG HA 1 140 TYR QE . . 4.000 2.773 1.988 3.683 . 0 0 "[ . 1 . ]" 1
278 1 140 TYR QE 1 144 VAL MG2 . . 5.000 4.326 3.844 5.003 0.003 7 0 "[ . 1 . ]" 1
279 1 87 ILE MG 1 140 TYR QE . . 3.700 2.030 1.890 2.363 . 0 0 "[ . 1 . ]" 1
280 1 127 ILE MD 1 158 TRP HZ2 . . 4.800 2.550 2.337 2.697 . 0 0 "[ . 1 . ]" 1
281 1 158 TRP HE3 1 161 ILE MG . . 3.000 2.722 2.636 2.804 . 0 0 "[ . 1 . ]" 1
282 1 107 LEU MD1 1 158 TRP HE3 . . 5.000 3.663 3.392 4.000 . 0 0 "[ . 1 . ]" 1
283 1 107 LEU MD2 1 158 TRP HE3 . . 5.000 4.338 3.844 4.722 . 0 0 "[ . 1 . ]" 1
284 1 158 TRP HA 1 158 TRP HE3 . . 5.000 2.527 2.412 2.619 . 0 0 "[ . 1 . ]" 1
285 1 158 TRP HA 1 158 TRP HD1 . . 5.000 4.429 4.369 4.504 . 0 0 "[ . 1 . ]" 1
286 1 154 ALA MB 1 158 TRP HD1 . . 3.400 3.229 2.847 3.404 0.004 3 0 "[ . 1 . ]" 1
287 1 87 ILE HA 1 143 PHE QE . . 5.000 2.964 2.510 3.312 . 0 0 "[ . 1 . ]" 1
288 1 90 ALA MB 1 143 PHE QE . . 4.900 3.183 2.890 3.501 . 0 0 "[ . 1 . ]" 1
289 1 87 ILE MG 1 143 PHE QE . . 3.400 1.941 1.880 2.031 . 0 0 "[ . 1 . ]" 1
290 1 93 VAL HB 1 94 PHE QD . . 5.000 4.455 4.260 4.826 . 0 0 "[ . 1 . ]" 1
291 1 94 PHE QD 1 165 VAL MG2 . . 4.700 4.644 4.463 4.736 0.036 2 0 "[ . 1 . ]" 1
292 1 94 PHE QD 1 110 VAL MG1 . . 4.000 2.668 2.325 3.168 . 0 0 "[ . 1 . ]" 1
293 1 90 ALA MB 1 94 PHE QD . . 5.000 3.454 3.312 3.590 . 0 0 "[ . 1 . ]" 1
294 1 94 PHE HA 1 94 PHE QE . . 5.000 4.284 4.231 4.315 . 0 0 "[ . 1 . ]" 1
295 1 90 ALA MB 1 94 PHE QE . . 3.400 2.235 2.067 2.499 . 0 0 "[ . 1 . ]" 1
296 1 94 PHE QE 1 161 ILE MG . . 4.600 3.533 3.360 3.683 . 0 0 "[ . 1 . ]" 1
297 1 94 PHE QE 1 165 VAL MG2 . . 4.300 3.142 2.878 3.446 . 0 0 "[ . 1 . ]" 1
298 1 94 PHE QE 1 110 VAL MG2 . . 4.700 3.598 3.037 3.943 . 0 0 "[ . 1 . ]" 1
299 1 94 PHE QE 1 110 VAL MG1 . . 5.000 2.358 1.965 2.657 . 0 0 "[ . 1 . ]" 1
300 1 18 PHE QD 1 29 ILE MD . . 3.800 2.362 1.914 3.253 . 0 0 "[ . 1 . ]" 1
301 1 54 ILE MD 1 65 ILE H . . 3.700 3.449 2.766 3.724 0.024 15 0 "[ . 1 . ]" 1
302 1 161 ILE MG 1 162 LYS H . . 4.000 1.927 1.845 2.004 . 0 0 "[ . 1 . ]" 1
303 1 54 ILE HA 1 54 ILE MD . . 3.600 2.051 2.002 2.093 . 0 0 "[ . 1 . ]" 1
304 1 31 THR MG 1 54 ILE MD . . 2.800 2.789 2.684 2.850 0.050 11 0 "[ . 1 . ]" 1
305 1 59 ALA HA 1 59 ALA MB . . 2.600 2.127 2.124 2.128 . 0 0 "[ . 1 . ]" 1
306 1 161 ILE HA 1 164 ALA MB . . 3.400 2.776 2.558 2.942 . 0 0 "[ . 1 . ]" 1
307 1 37 VAL MG1 1 164 ALA MB . . 3.000 2.884 2.455 3.064 0.064 11 0 "[ . 1 . ]" 1
308 1 153 ALA HA 1 153 ALA MB . . 2.600 2.094 2.082 2.128 . 0 0 "[ . 1 . ]" 1
309 1 48 ALA HA 1 48 ALA MB . . 2.500 2.106 2.083 2.128 . 0 0 "[ . 1 . ]" 1
310 1 17 ALA MB 1 163 LEU MD2 . . 3.100 1.988 1.734 3.138 0.038 12 0 "[ . 1 . ]" 1
311 1 17 ALA MB 1 163 LEU MD1 . . 3.700 2.619 1.809 3.732 0.032 6 0 "[ . 1 . ]" 1
312 1 14 PHE HA 1 17 ALA MB . . 3.700 2.319 2.007 2.605 . 0 0 "[ . 1 . ]" 1
313 1 57 VAL HA 1 57 VAL MG1 . . 3.000 2.456 2.378 2.481 . 0 0 "[ . 1 . ]" 1
314 1 57 VAL HA 1 57 VAL MG2 . . 3.400 3.188 3.178 3.201 . 0 0 "[ . 1 . ]" 1
315 1 57 VAL MG1 1 70 PHE HA . . 3.700 3.625 3.149 3.828 0.128 17 0 "[ . 1 . ]" 1
316 1 87 ILE MG 1 144 VAL MG1 . . 2.900 2.464 1.949 3.093 0.193 9 0 "[ . 1 . ]" 1
317 1 87 ILE HA 1 87 ILE MG . . 3.400 2.390 2.353 2.462 . 0 0 "[ . 1 . ]" 1
318 1 84 GLU HA 1 87 ILE MG . . 4.000 3.804 3.555 3.979 . 0 0 "[ . 1 . ]" 1
319 1 87 ILE MG 1 143 PHE QD . . 3.400 2.555 2.162 2.737 . 0 0 "[ . 1 . ]" 1
320 1 87 ILE MG 1 88 ARG H . . 3.800 2.740 2.482 2.957 . 0 0 "[ . 1 . ]" 1
321 1 87 ILE MD 1 144 VAL HA . . 4.000 3.908 3.328 4.020 0.020 14 0 "[ . 1 . ]" 1
322 1 87 ILE MD 1 87 ILE MG . . 2.600 2.124 1.985 2.488 . 0 0 "[ . 1 . ]" 1
323 1 158 TRP HE3 1 161 ILE MD . . 3.400 3.423 3.362 3.475 0.075 13 0 "[ . 1 . ]" 1
324 1 158 TRP HZ3 1 161 ILE MD . . 3.500 3.423 3.341 3.512 0.012 13 0 "[ . 1 . ]" 1
325 1 158 TRP HA 1 161 ILE MD . . 3.800 3.912 3.832 3.956 0.156 10 0 "[ . 1 . ]" 1
326 1 161 ILE HB 1 161 ILE MD . . 3.200 2.472 2.436 2.505 . 0 0 "[ . 1 . ]" 1
327 1 161 ILE MD 1 161 ILE MG . . 2.900 2.017 1.983 2.063 . 0 0 "[ . 1 . ]" 1
328 1 158 TRP HA 1 161 ILE MG . . 3.800 1.920 1.830 1.955 . 0 0 "[ . 1 . ]" 1
329 1 161 ILE MG 1 162 LYS HA . . 3.800 3.321 3.297 3.361 . 0 0 "[ . 1 . ]" 1
330 1 161 ILE HA 1 161 ILE MG . . 3.100 3.194 3.192 3.196 0.096 9 0 "[ . 1 . ]" 1
331 1 110 VAL MG1 1 161 ILE MG . . 4.000 4.078 4.021 4.135 0.135 9 0 "[ . 1 . ]" 1
332 1 95 ASP H 1 102 ILE MD . . 4.000 3.662 3.079 4.024 0.024 17 0 "[ . 1 . ]" 1
333 1 102 ILE MD 1 143 PHE QD . . 3.100 3.088 2.710 3.147 0.047 7 0 "[ . 1 . ]" 1
334 1 102 ILE MG 1 158 TRP HH2 . . 3.700 3.030 2.813 3.265 . 0 0 "[ . 1 . ]" 1
335 1 102 ILE HA 1 102 ILE MG . . 3.500 2.394 2.355 2.459 . 0 0 "[ . 1 . ]" 1
336 1 102 ILE MG 1 107 LEU HA . . 3.600 3.499 3.175 3.662 0.062 12 0 "[ . 1 . ]" 1
337 1 102 ILE MD 1 138 VAL HB . . 3.600 3.442 3.341 3.584 . 0 0 "[ . 1 . ]" 1
338 1 102 ILE MD 1 102 ILE MG . . 2.800 1.912 1.890 1.927 . 0 0 "[ . 1 . ]" 1
339 1 127 ILE HA 1 127 ILE MG . . 3.100 2.453 2.362 2.512 . 0 0 "[ . 1 . ]" 1
340 1 127 ILE HB 1 127 ILE MD . . 3.400 3.229 3.227 3.231 . 0 0 "[ . 1 . ]" 1
341 1 127 ILE HA 1 127 ILE MD . . 3.000 1.951 1.935 1.979 . 0 0 "[ . 1 . ]" 1
342 1 132 ILE HA 1 132 ILE MG . . 3.000 2.340 2.188 2.512 . 0 0 "[ . 1 . ]" 1
343 1 54 ILE HA 1 54 ILE MG . . 3.100 2.373 2.309 2.509 . 0 0 "[ . 1 . ]" 1
344 1 29 ILE HA 1 29 ILE MG . . 3.500 2.365 2.095 2.427 . 0 0 "[ . 1 . ]" 1
345 1 29 ILE MG 1 34 LEU HA . . 3.600 3.489 2.752 3.698 0.098 8 0 "[ . 1 . ]" 1
346 1 29 ILE MD 1 29 ILE MG . . 3.000 2.638 2.003 3.068 0.068 11 0 "[ . 1 . ]" 1
347 1 29 ILE HB 1 29 ILE MD . . 3.400 2.270 2.133 3.217 . 0 0 "[ . 1 . ]" 1
348 1 144 VAL MG1 1 144 VAL MG2 . . 2.500 2.058 2.011 2.096 . 0 0 "[ . 1 . ]" 1
349 1 144 VAL HA 1 144 VAL MG2 . . 3.400 3.140 2.431 3.193 . 0 0 "[ . 1 . ]" 1
350 1 141 GLU HA 1 144 VAL MG1 . . 3.400 3.283 2.586 3.421 0.021 13 0 "[ . 1 . ]" 1
351 1 140 TYR QD 1 144 VAL MG1 . . 3.700 3.144 2.821 3.319 . 0 0 "[ . 1 . ]" 1
352 1 140 TYR QE 1 144 VAL MG1 . . 3.500 2.784 2.450 3.142 . 0 0 "[ . 1 . ]" 1
353 1 143 PHE QD 1 144 VAL MG1 . . 3.800 2.427 2.137 3.622 . 0 0 "[ . 1 . ]" 1
354 1 144 VAL H 1 144 VAL MG2 . . 3.700 2.454 2.238 3.753 0.053 9 0 "[ . 1 . ]" 1
355 1 144 VAL MG2 1 145 GLN H . . 3.700 2.293 2.104 3.641 . 0 0 "[ . 1 . ]" 1
356 1 71 LEU HA 1 71 LEU MD1 . . 3.200 2.825 1.937 3.558 0.358 18 0 "[ . 1 . ]" 1
357 1 110 VAL H 1 110 VAL MG1 . . 3.700 3.736 3.684 3.760 0.060 2 0 "[ . 1 . ]" 1
358 1 110 VAL HA 1 110 VAL MG1 . . 3.400 2.432 2.346 2.544 . 0 0 "[ . 1 . ]" 1
359 1 110 VAL MG1 1 110 VAL MG2 . . 2.600 2.015 1.907 2.079 . 0 0 "[ . 1 . ]" 1
360 1 37 VAL HA 1 114 LEU MD1 . . 3.600 3.311 2.268 3.614 0.014 10 0 "[ . 1 . ]" 1
361 1 37 VAL HA 1 114 LEU MD2 . . 3.600 3.509 2.972 3.622 0.022 9 0 "[ . 1 . ]" 1
362 1 114 LEU MD2 1 164 ALA MB . . 2.900 2.271 1.913 2.893 . 0 0 "[ . 1 . ]" 1
363 1 94 PHE QD 1 107 LEU MD1 . . 3.600 3.599 3.384 3.667 0.067 9 0 "[ . 1 . ]" 1
364 1 107 LEU HA 1 107 LEU MD1 . . 3.500 2.014 1.933 2.140 . 0 0 "[ . 1 . ]" 1
365 1 107 LEU MD2 1 123 VAL MG1 . . 3.100 2.794 2.224 3.096 . 0 0 "[ . 1 . ]" 1
366 1 93 VAL HA 1 93 VAL MG1 . . 3.600 2.368 2.326 2.404 . 0 0 "[ . 1 . ]" 1
367 1 28 THR HA 1 28 THR MG . . 3.200 3.150 2.388 3.204 0.004 12 0 "[ . 1 . ]" 1
368 1 28 THR MG 1 64 THR HB . . 3.500 3.501 3.234 3.546 0.046 13 0 "[ . 1 . ]" 1
369 1 118 LEU H 1 118 LEU MD1 . . 3.500 2.426 1.863 3.441 . 0 0 "[ . 1 . ]" 1
370 1 20 LEU MD1 1 164 ALA MB . . 2.900 1.949 1.739 2.541 . 0 0 "[ . 1 . ]" 1
371 1 20 LEU MD2 1 164 ALA MB . . 2.900 2.687 1.830 2.915 0.015 6 0 "[ . 1 . ]" 1
372 1 20 LEU MD2 1 164 ALA H . . 3.800 3.325 2.829 3.839 0.039 2 0 "[ . 1 . ]" 1
373 1 41 LEU HA 1 41 LEU MD2 . . 4.000 3.559 3.208 3.803 . 0 0 "[ . 1 . ]" 1
374 1 41 LEU MD2 1 165 VAL HA . . 3.600 2.274 1.835 2.886 . 0 0 "[ . 1 . ]" 1
375 1 41 LEU MD2 1 164 ALA MB . . 3.100 3.133 2.929 3.246 0.146 4 0 "[ . 1 . ]" 1
376 1 41 LEU MD1 1 164 ALA MB . . 3.000 3.030 2.970 3.074 0.074 8 0 "[ . 1 . ]" 1
377 1 41 LEU MD1 1 165 VAL HA . . 3.600 3.517 3.203 3.769 0.169 4 0 "[ . 1 . ]" 1
378 1 41 LEU H 1 41 LEU MD1 . . 3.100 2.801 2.491 3.189 0.089 12 0 "[ . 1 . ]" 1
379 1 165 VAL H 1 165 VAL MG1 . . 3.100 2.236 1.883 2.433 . 0 0 "[ . 1 . ]" 1
380 1 94 PHE QE 1 165 VAL MG1 . . 3.600 1.999 1.866 3.008 . 0 0 "[ . 1 . ]" 1
381 1 162 LYS HA 1 165 VAL MG1 . . 3.600 3.169 1.872 3.436 . 0 0 "[ . 1 . ]" 1
382 1 165 VAL MG1 1 165 VAL MG2 . . 2.600 2.054 2.031 2.095 . 0 0 "[ . 1 . ]" 1
383 1 50 LEU HA 1 50 LEU MD2 . . 2.800 2.127 2.034 2.232 . 0 0 "[ . 1 . ]" 1
384 1 34 LEU MD1 1 54 ILE H . . 3.700 3.761 3.709 3.825 0.125 12 0 "[ . 1 . ]" 1
385 1 138 VAL MG2 1 158 TRP HH2 . . 2.800 2.278 2.015 2.421 . 0 0 "[ . 1 . ]" 1
386 1 138 VAL MG2 1 158 TRP HZ2 . . 2.800 2.059 1.979 2.182 . 0 0 "[ . 1 . ]" 1
387 1 138 VAL HA 1 138 VAL MG2 . . 3.200 2.264 2.218 2.292 . 0 0 "[ . 1 . ]" 1
388 1 138 VAL HA 1 138 VAL MG1 . . 3.500 2.493 2.468 2.529 . 0 0 "[ . 1 . ]" 1
389 1 87 ILE HA 1 90 ALA MB . . 3.700 2.888 2.743 3.077 . 0 0 "[ . 1 . ]" 1
390 1 70 PHE HA 1 74 MET H . . 4.600 4.049 3.926 4.203 . 0 0 "[ . 1 . ]" 1
391 1 65 ILE MD 1 70 PHE HA . . 4.300 4.059 1.935 4.334 0.034 2 0 "[ . 1 . ]" 1
392 1 70 PHE HA 1 73 MET H . . 4.300 3.409 3.296 3.528 . 0 0 "[ . 1 . ]" 1
393 1 29 ILE HA 1 29 ILE MD . . 4.400 3.674 2.300 3.891 . 0 0 "[ . 1 . ]" 1
394 1 138 VAL HB 1 158 TRP HZ3 . . 5.000 4.912 4.628 5.033 0.033 15 0 "[ . 1 . ]" 1
395 1 138 VAL MG1 1 158 TRP HZ3 . . 4.900 3.787 3.566 3.966 . 0 0 "[ . 1 . ]" 1
396 1 138 VAL MG2 1 158 TRP HZ3 . . 4.400 4.345 4.148 4.450 0.050 7 0 "[ . 1 . ]" 1
397 1 107 LEU MD1 1 158 TRP HZ3 . . 4.800 2.134 2.023 2.387 . 0 0 "[ . 1 . ]" 1
398 1 143 PHE QE 1 158 TRP HZ3 . . 5.000 2.781 2.165 3.190 . 0 0 "[ . 1 . ]" 1
399 1 158 TRP HA 1 158 TRP HZ3 . . 5.000 4.687 4.607 4.763 . 0 0 "[ . 1 . ]" 1
400 1 107 LEU MD2 1 158 TRP HZ3 . . 5.000 3.290 2.762 3.768 . 0 0 "[ . 1 . ]" 1
401 1 102 ILE MD 1 158 TRP HZ3 . . 3.200 3.062 2.842 3.212 0.012 7 0 "[ . 1 . ]" 1
402 1 101 TYR QD 1 138 VAL HA . . 5.000 4.492 4.283 4.725 . 0 0 "[ . 1 . ]" 1
403 1 140 TYR H 1 140 TYR QD . . 4.600 4.185 4.150 4.200 . 0 0 "[ . 1 . ]" 1
404 1 140 TYR QD 1 143 PHE QE . . 5.000 5.010 4.907 5.084 0.084 7 0 "[ . 1 . ]" 1
405 1 140 TYR QD 1 143 PHE QD . . 4.700 3.721 3.255 4.012 . 0 0 "[ . 1 . ]" 1
406 1 88 ARG HA 1 140 TYR QD . . 5.000 3.654 3.114 4.289 . 0 0 "[ . 1 . ]" 1
407 1 140 TYR QD 1 141 GLU HA . . 5.000 3.613 2.853 4.341 . 0 0 "[ . 1 . ]" 1
408 1 140 TYR HA 1 140 TYR QD . . 3.800 2.534 2.016 3.019 . 0 0 "[ . 1 . ]" 1
409 1 87 ILE MG 1 140 TYR QD . . 5.000 3.507 2.892 3.822 . 0 0 "[ . 1 . ]" 1
410 1 140 TYR QD 1 144 VAL MG2 . . 5.000 4.596 4.221 5.059 0.059 9 0 "[ . 1 . ]" 1
411 1 29 ILE MD 1 70 PHE QD . . 5.000 3.620 2.983 4.742 . 0 0 "[ . 1 . ]" 1
412 1 14 PHE QE 1 71 LEU MD1 . . 5.000 4.189 3.251 5.042 0.042 11 0 "[ . 1 . ]" 1
413 1 14 PHE QE 1 163 LEU MD2 . . 5.000 4.570 3.946 5.018 0.018 4 0 "[ . 1 . ]" 1
414 1 90 ALA HA 1 94 PHE QE . . 5.000 3.813 3.725 3.962 . 0 0 "[ . 1 . ]" 1
415 1 94 PHE QE 1 110 VAL HB . . 5.000 4.764 4.395 5.006 0.006 4 0 "[ . 1 . ]" 1
416 1 94 PHE QD 1 110 VAL HB . . 5.000 4.279 3.878 4.658 . 0 0 "[ . 1 . ]" 1
417 1 94 PHE QD 1 107 LEU HA . . 5.000 4.861 4.718 5.023 0.023 15 0 "[ . 1 . ]" 1
418 1 126 MET ME 1 158 TRP HE1 . . 3.800 3.491 2.974 3.829 0.029 11 0 "[ . 1 . ]" 1
419 1 126 MET ME 1 158 TRP HE3 . . 3.800 3.340 2.784 3.637 . 0 0 "[ . 1 . ]" 1
420 1 126 MET ME 1 158 TRP HA . . 3.100 2.807 2.135 3.121 0.021 8 0 "[ . 1 . ]" 1
421 1 126 MET ME 1 161 ILE MG . . 3.400 2.739 2.244 3.134 . 0 0 "[ . 1 . ]" 1
422 1 126 MET ME 1 158 TRP HZ2 . . 3.600 3.250 2.902 3.460 . 0 0 "[ . 1 . ]" 1
423 1 126 MET ME 1 158 TRP HH2 . . 3.800 3.614 3.232 3.839 0.039 15 0 "[ . 1 . ]" 1
424 1 110 VAL MG1 1 111 MET ME . . 4.300 4.307 3.998 4.381 0.081 3 0 "[ . 1 . ]" 1
425 1 111 MET ME 1 161 ILE MD . . 3.500 2.809 2.460 3.000 . 0 0 "[ . 1 . ]" 1
426 1 111 MET ME 1 161 ILE MG . . 4.100 2.687 2.319 2.920 . 0 0 "[ . 1 . ]" 1
427 1 111 MET ME 1 123 VAL MG2 . . 3.700 3.742 3.709 3.779 0.079 8 0 "[ . 1 . ]" 1
428 1 111 MET ME 1 161 ILE HB . . 2.800 2.540 2.081 2.816 0.016 12 0 "[ . 1 . ]" 1
429 1 111 MET ME 1 161 ILE H . . 4.000 3.685 3.145 4.021 0.021 18 0 "[ . 1 . ]" 1
430 1 73 MET ME 1 74 MET H . . 4.100 2.823 2.226 3.316 . 0 0 "[ . 1 . ]" 1
431 1 73 MET H 1 73 MET ME . . 4.100 4.087 3.993 4.197 0.097 6 0 "[ . 1 . ]" 1
432 1 70 PHE HA 1 73 MET ME . . 3.200 2.992 2.525 3.293 0.093 3 0 "[ . 1 . ]" 1
433 1 73 MET ME 1 170 ALA HA . . 4.300 4.012 3.161 4.350 0.050 11 0 "[ . 1 . ]" 1
434 1 38 MET H 1 38 MET ME . . 3.600 3.494 2.751 3.738 0.138 5 0 "[ . 1 . ]" 1
435 1 146 MET ME 1 158 TRP HD1 . . 3.600 3.588 3.333 3.664 0.064 15 0 "[ . 1 . ]" 1
436 1 143 PHE QE 1 146 MET ME . . 3.600 3.217 3.100 3.431 . 0 0 "[ . 1 . ]" 1
437 1 146 MET ME 1 158 TRP HE3 . . 3.200 3.017 2.727 3.210 0.010 10 0 "[ . 1 . ]" 1
438 1 130 ALA MB 1 146 MET ME . . 2.900 2.582 1.921 2.956 0.056 15 0 "[ . 1 . ]" 1
439 1 74 MET ME 1 75 ALA H . . 3.700 3.716 3.653 3.770 0.070 2 0 "[ . 1 . ]" 1
440 1 14 PHE QD 1 74 MET ME . . 3.200 2.063 1.881 2.375 . 0 0 "[ . 1 . ]" 1
441 1 74 MET ME 1 163 LEU MD2 . . 3.100 3.036 2.752 3.151 0.051 11 0 "[ . 1 . ]" 1
442 1 41 LEU MD1 1 110 VAL MG1 . . 3.200 2.349 1.939 2.864 . 0 0 "[ . 1 . ]" 1
443 1 110 VAL MG1 1 161 ILE MD . . 3.200 1.923 1.824 2.039 . 0 0 "[ . 1 . ]" 1
444 1 107 LEU MD1 1 161 ILE MD . . 2.600 2.341 2.121 2.545 . 0 0 "[ . 1 . ]" 1
445 1 102 ILE HB 1 102 ILE MD . . 3.400 2.422 2.362 2.457 . 0 0 "[ . 1 . ]" 1
446 1 127 ILE MD 1 158 TRP HH2 . . 3.800 2.871 2.644 3.198 . 0 0 "[ . 1 . ]" 1
447 1 127 ILE MD 1 137 GLN HA . . 3.600 3.644 3.609 3.673 0.073 6 0 "[ . 1 . ]" 1
448 1 127 ILE MD 1 130 ALA MB . . 3.000 3.091 3.024 3.157 0.157 13 0 "[ . 1 . ]" 1
449 1 87 ILE HB 1 87 ILE MD . . 3.100 2.685 2.100 3.230 0.130 3 0 "[ . 1 . ]" 1
450 1 34 LEU HA 1 37 VAL MG1 . . 3.500 3.604 3.535 3.700 0.200 11 0 "[ . 1 . ]" 1
451 1 37 VAL HA 1 37 VAL MG1 . . 3.400 2.432 2.368 2.493 . 0 0 "[ . 1 . ]" 1
452 1 37 VAL MG1 1 41 LEU MD2 . . 2.900 2.848 2.088 3.185 0.285 11 0 "[ . 1 . ]" 1
453 1 37 VAL MG1 1 114 LEU MD2 . . 2.800 2.398 1.894 2.809 0.009 13 0 "[ . 1 . ]" 1
454 1 144 VAL HA 1 144 VAL MG1 . . 3.000 2.480 2.402 3.178 0.178 9 0 "[ . 1 . ]" 1
455 1 132 ILE MG 1 133 ASP H . . 3.700 3.704 3.436 3.865 0.165 7 0 "[ . 1 . ]" 1
456 1 132 ILE H 1 132 ILE MG . . 3.600 3.035 1.841 3.768 0.168 6 0 "[ . 1 . ]" 1
457 1 11 ILE MG 1 71 LEU MD1 . . 3.500 3.501 3.442 3.518 0.018 3 0 "[ . 1 . ]" 1
458 1 11 ILE MD 1 11 ILE MG . . 3.000 2.278 1.926 2.911 . 0 0 "[ . 1 . ]" 1
459 1 11 ILE HA 1 11 ILE MG . . 3.400 2.372 2.347 2.380 . 0 0 "[ . 1 . ]" 1
460 1 11 ILE MG 1 12 ALA HA . . 3.700 3.714 3.699 3.736 0.036 3 0 "[ . 1 . ]" 1
461 1 11 ILE MG 1 14 PHE QD . . 3.500 2.569 2.037 3.297 . 0 0 "[ . 1 . ]" 1
462 1 11 ILE MG 1 12 ALA H . . 3.800 3.759 3.738 3.790 . 0 0 "[ . 1 . ]" 1
463 1 75 ALA MB 1 76 ARG H . . 3.700 2.818 2.660 2.986 . 0 0 "[ . 1 . ]" 1
464 1 102 ILE MG 1 127 ILE MD . . 3.200 3.010 2.828 3.192 . 0 0 "[ . 1 . ]" 1
465 1 102 ILE MG 1 107 LEU MD1 . . 3.200 1.916 1.764 2.159 . 0 0 "[ . 1 . ]" 1
466 1 102 ILE MG 1 138 VAL HB . . 3.100 3.100 2.967 3.131 0.031 4 0 "[ . 1 . ]" 1
467 1 144 VAL MG2 1 148 THR MG . . 3.000 3.027 2.983 3.101 0.101 15 0 "[ . 1 . ]" 1
468 1 57 VAL MG1 1 73 MET ME . . 3.600 3.208 2.359 3.666 0.066 6 0 "[ . 1 . ]" 1
469 1 57 VAL H 1 57 VAL MG1 . . 3.500 2.503 2.280 2.661 . 0 0 "[ . 1 . ]" 1
470 1 56 GLU H 1 57 VAL MG1 . . 3.700 3.802 3.765 3.881 0.181 17 0 "[ . 1 . ]" 1
471 1 57 VAL MG1 1 73 MET H . . 4.000 4.037 3.931 4.143 0.143 6 0 "[ . 1 . ]" 1
472 1 165 VAL H 1 165 VAL MG2 . . 3.600 2.294 1.930 3.765 0.165 9 0 "[ . 1 . ]" 1
473 1 165 VAL MG2 1 166 ARG H . . 3.800 2.377 2.056 3.524 . 0 0 "[ . 1 . ]" 1
474 1 90 ALA MB 1 165 VAL MG2 . . 3.000 2.272 1.842 3.019 0.019 15 0 "[ . 1 . ]" 1
475 1 165 VAL HA 1 165 VAL MG2 . . 3.100 3.111 2.395 3.203 0.103 12 0 "[ . 1 . ]" 1
476 1 90 ALA HA 1 165 VAL MG2 . . 3.600 2.826 2.138 3.129 . 0 0 "[ . 1 . ]" 1
477 1 112 THR H 1 112 THR MG . . 3.600 3.303 2.000 3.765 0.165 3 0 "[ . 1 . ]" 1
478 1 112 THR MG 1 113 ASN H . . 3.500 3.289 2.124 3.720 0.220 10 0 "[ . 1 . ]" 1
479 1 110 VAL HA 1 110 VAL MG2 . . 3.000 2.312 2.237 2.391 . 0 0 "[ . 1 . ]" 1
480 1 107 LEU HA 1 110 VAL MG2 . . 3.400 2.844 2.216 3.344 . 0 0 "[ . 1 . ]" 1
481 1 34 LEU HA 1 37 VAL MG2 . . 3.100 2.686 2.241 3.121 0.021 5 0 "[ . 1 . ]" 1
482 1 37 VAL HA 1 37 VAL MG2 . . 3.200 2.332 2.216 2.411 . 0 0 "[ . 1 . ]" 1
483 1 114 LEU HA 1 114 LEU MD1 . . 3.100 2.942 2.070 3.137 0.037 8 0 "[ . 1 . ]" 1
484 1 41 LEU HA 1 41 LEU MD1 . . 3.000 2.016 1.918 2.238 . 0 0 "[ . 1 . ]" 1
485 1 93 VAL MG2 1 165 VAL HB . . 2.900 2.793 2.205 3.006 0.106 9 0 "[ . 1 . ]" 1
486 1 90 ALA HA 1 93 VAL MG2 . . 3.000 1.941 1.867 1.972 . 0 0 "[ . 1 . ]" 1
487 1 93 VAL MG2 1 94 PHE HA . . 3.600 3.173 3.148 3.226 . 0 0 "[ . 1 . ]" 1
488 1 31 THR MG 1 51 GLN H . . 4.000 3.769 3.310 4.033 0.033 17 0 "[ . 1 . ]" 1
489 1 31 THR HA 1 31 THR MG . . 3.000 2.104 1.948 2.397 . 0 0 "[ . 1 . ]" 1
490 1 31 THR MG 1 54 ILE HB . . 3.500 3.491 3.363 3.577 0.077 8 0 "[ . 1 . ]" 1
491 1 31 THR MG 1 34 LEU MD2 . . 2.800 2.864 2.801 2.932 0.132 5 0 "[ . 1 . ]" 1
492 1 17 ALA HA 1 20 LEU MD2 . . 3.100 2.188 1.922 3.202 0.102 16 0 "[ . 1 . ]" 1
493 1 118 LEU MD2 1 123 VAL HA . . 4.000 3.848 3.107 4.124 0.124 15 0 "[ . 1 . ]" 1
494 1 108 ARG HA 1 118 LEU MD2 . . 4.100 3.170 2.000 4.116 0.016 8 0 "[ . 1 . ]" 1
495 1 41 LEU MD2 1 165 VAL MG1 . . 3.500 2.891 1.964 3.482 . 0 0 "[ . 1 . ]" 1
496 1 41 LEU H 1 41 LEU MD2 . . 3.800 2.678 1.888 3.864 0.064 15 0 "[ . 1 . ]" 1
497 1 47 GLU HA 1 50 LEU MD1 . . 3.200 2.839 1.982 3.199 . 0 0 "[ . 1 . ]" 1
498 1 138 VAL MG1 1 158 TRP HH2 . . 3.200 2.794 2.498 2.972 . 0 0 "[ . 1 . ]" 1
499 1 138 VAL MG1 1 158 TRP HZ2 . . 3.400 3.423 3.278 3.472 0.072 13 0 "[ . 1 . ]" 1
500 1 148 THR HA 1 148 THR MG . . 3.100 2.458 2.402 2.493 . 0 0 "[ . 1 . ]" 1
501 1 29 ILE MD 1 65 ILE MG . . 3.500 2.128 1.772 3.552 0.052 17 0 "[ . 1 . ]" 1
502 1 65 ILE MD 1 65 ILE MG . . 2.900 2.308 1.800 2.716 . 0 0 "[ . 1 . ]" 1
503 1 29 ILE HB 1 65 ILE MG . . 3.400 2.453 1.836 3.389 . 0 0 "[ . 1 . ]" 1
504 1 65 ILE HA 1 65 ILE MG . . 3.500 2.718 2.460 3.185 . 0 0 "[ . 1 . ]" 1
505 1 114 LEU MD1 1 164 ALA MB . . 2.800 2.466 1.907 2.827 0.027 8 0 "[ . 1 . ]" 1
506 1 87 ILE MG 1 144 VAL HA . . 3.400 3.355 2.931 3.458 0.058 15 0 "[ . 1 . ]" 1
507 1 54 ILE HA 1 57 VAL MG2 . . 3.500 2.058 1.880 2.520 . 0 0 "[ . 1 . ]" 1
508 1 57 VAL MG2 1 65 ILE MG . . 3.200 3.256 3.111 3.309 0.109 6 0 "[ . 1 . ]" 1
509 1 54 ILE MD 1 57 VAL MG2 . . 3.100 2.916 2.686 3.136 0.036 13 0 "[ . 1 . ]" 1
510 1 70 PHE H 1 70 PHE QD . . 4.900 4.034 3.690 4.184 . 0 0 "[ . 1 . ]" 1
511 1 70 PHE HA 1 70 PHE QD . . 4.100 2.595 1.981 3.012 . 0 0 "[ . 1 . ]" 1
512 1 17 ALA MB 1 70 PHE QD . . 4.800 4.281 3.891 4.791 . 0 0 "[ . 1 . ]" 1
513 1 65 ILE MG 1 70 PHE QD . . 5.000 3.061 1.966 4.703 . 0 0 "[ . 1 . ]" 1
514 1 18 PHE QE 1 29 ILE MD . . 5.000 2.388 1.944 3.267 . 0 0 "[ . 1 . ]" 1
515 1 18 PHE QE 1 65 ILE MG . . 4.900 3.845 2.383 4.924 0.024 11 0 "[ . 1 . ]" 1
516 1 143 PHE QD 1 146 MET ME . . 4.800 2.739 2.306 3.532 . 0 0 "[ . 1 . ]" 1
517 1 138 VAL MG1 1 143 PHE QD . . 4.700 2.395 2.125 2.732 . 0 0 "[ . 1 . ]" 1
518 1 18 PHE QD 1 19 SER H . . 5.000 3.471 2.663 4.566 . 0 0 "[ . 1 . ]" 1
519 1 14 PHE QD 1 15 LYS H . . 5.000 4.049 3.753 4.217 . 0 0 "[ . 1 . ]" 1
520 1 14 PHE HA 1 14 PHE QD . . 4.200 2.279 2.131 2.778 . 0 0 "[ . 1 . ]" 1
521 1 11 ILE HA 1 14 PHE QD . . 4.700 2.249 1.985 2.914 . 0 0 "[ . 1 . ]" 1
522 1 14 PHE QD 1 17 ALA MB . . 3.800 3.656 3.352 3.849 0.049 12 0 "[ . 1 . ]" 1
523 1 14 PHE QD 1 163 LEU MD2 . . 4.200 3.654 3.216 4.202 0.002 11 0 "[ . 1 . ]" 1
524 1 14 PHE QD 1 71 LEU MD1 . . 4.000 2.861 2.373 3.529 . 0 0 "[ . 1 . ]" 1
525 1 130 ALA MB 1 158 TRP HZ2 . . 4.200 2.019 1.936 2.143 . 0 0 "[ . 1 . ]" 1
526 1 130 ALA MB 1 158 TRP HZ3 . . 5.000 4.829 4.651 4.990 . 0 0 "[ . 1 . ]" 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 21
_Distance_constraint_stats_list.Viol_count 213
_Distance_constraint_stats_list.Viol_total 3062.055
_Distance_constraint_stats_list.Viol_max 3.321
_Distance_constraint_stats_list.Viol_rms 0.6984
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4500
_Distance_constraint_stats_list.Viol_average_violations_only 0.7987
_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 22 ASP 1.968 0.870 6 2 "[ .+ 1 .- ]"
1 24 ASP 7.623 1.631 8 6 "[ .* +*1 - .* *]"
1 26 ASP 14.496 1.437 17 16 "[**-******* **** +*]"
1 28 THR 18.576 1.437 17 17 "[**-******* *****+*]"
1 33 GLU 9.734 1.631 8 6 "[ .* +*1 - .* *]"
1 58 ASP 7.452 1.822 1 6 "[+ * - 1 ** .* ]"
1 60 ASP 21.901 2.145 7 6 "[* * + 1 ** .- ]"
1 62 ASN 6.150 2.001 1 3 "[+ . 1 - .* ]"
1 64 THR 0.487 0.092 3 0 "[ . 1 . ]"
1 69 GLU 8.786 2.145 7 6 "[* * + 1 ** .- ]"
1 95 ASP 12.248 1.707 6 10 "[ ***.+* * *-*. * ]"
1 97 ASP 38.025 2.109 6 15 "[ ****+** *****.-**]"
1 99 ASN 14.185 1.398 13 12 "[ **-*** * *+*. **]"
1 101 TYR 4.989 1.581 11 3 "[ . - 1+ .* ]"
1 106 GLU 16.581 2.109 6 8 "[ *.+** ** .-* ]"
1 131 ASP 12.112 1.930 16 7 "[* *.* -* * .+ ]"
1 133 ASP 47.837 3.321 1 17 "[+**********-***** ]"
1 135 ASP 52.527 3.321 1 17 "[+**-************* ]"
1 137 GLN 30.676 1.454 4 18 [***+*****-********]
1 142 GLU 13.875 1.454 4 11 "[* +.* * * *-****]"
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 22 ASP OD1 1 28 THR O . . 3.500 3.435 2.986 4.370 0.870 6 2 "[ .+ 1 .- ]" 2
2 1 26 ASP OD2 1 28 THR O . . 3.500 4.271 2.888 4.937 1.437 17 16 "[**-******* **** +*]" 2
3 1 28 THR O 1 33 GLU OE1 . . 3.500 3.603 3.284 4.897 1.397 6 1 "[ .+ 1 . ]" 2
4 1 24 ASP OD2 1 33 GLU OE2 . . 3.500 3.618 2.892 5.131 1.631 8 6 "[ .* +*1 - .* *]" 2
5 1 58 ASP OD1 1 60 ASP OD2 . . 3.500 3.585 2.867 5.322 1.822 1 6 "[+ * - 1 ** .* ]" 2
6 1 58 ASP OD1 1 64 THR O . . 3.500 3.219 2.869 3.512 0.012 15 0 "[ . 1 . ]" 2
7 1 60 ASP OD2 1 62 ASN OD1 . . 3.500 3.821 3.463 5.501 2.001 1 3 "[+ . 1 - .* ]" 2
8 1 62 ASN OD1 1 64 THR O . . 3.500 3.407 2.892 3.550 0.050 14 0 "[ . 1 . ]" 2
9 1 64 THR O 1 69 GLU OE1 . . 3.500 3.292 2.901 3.592 0.092 3 0 "[ . 1 . ]" 2
10 1 60 ASP OD2 1 69 GLU OE2 . . 3.500 3.869 2.893 5.645 2.145 7 6 "[* * + 1 ** .- ]" 2
11 1 95 ASP OD1 1 97 ASP OD2 . . 3.500 4.176 3.423 5.207 1.707 6 10 "[ ***.+* * *-*. * ]" 2
12 1 95 ASP OD1 1 101 TYR O . . 3.500 2.949 2.848 3.195 . 0 0 "[ . 1 . ]" 2
13 1 97 ASP OD2 1 99 ASN OD1 . . 3.500 4.182 2.571 4.898 1.398 13 12 "[ **-*** * *+*. **]" 2
14 1 99 ASN OD1 1 101 TYR O . . 3.500 2.919 2.798 3.499 . 0 0 "[ . 1 . ]" 2
15 1 101 TYR O 1 106 GLU OE1 . . 3.500 3.754 3.280 5.081 1.581 11 3 "[ . - 1+ .* ]" 2
16 1 97 ASP OD2 1 106 GLU OE2 . . 3.500 3.924 2.594 5.609 2.109 6 8 "[ *.+** ** .-* ]" 2
17 1 131 ASP OD1 1 133 ASP OD2 . . 3.500 3.959 2.548 5.430 1.930 16 6 "[* *.* 1* - .+ ]" 2
18 1 131 ASP OD1 1 137 GLN O . . 3.500 3.416 2.971 4.075 0.575 10 1 "[ . + . ]" 2
19 1 133 ASP OD2 1 135 ASP OD1 . . 3.500 5.537 3.503 6.821 3.321 1 17 "[+**********-***** ]" 2
20 1 135 ASP OD2 1 137 GLN O . . 3.500 4.355 3.029 4.899 1.399 5 16 "[***-+*********.** ]" 2
21 1 137 GLN O 1 142 GLU OE1 . . 3.500 4.170 2.888 4.954 1.454 4 11 "[* +.* * * *-****]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 116
_Distance_constraint_stats_list.Viol_count 696
_Distance_constraint_stats_list.Viol_total 179.895
_Distance_constraint_stats_list.Viol_max 0.067
_Distance_constraint_stats_list.Viol_rms 0.0097
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0048
_Distance_constraint_stats_list.Viol_average_violations_only 0.0144
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 11 ILE 0.026 0.009 3 0 "[ . 1 . ]"
1 12 ALA 0.060 0.016 14 0 "[ . 1 . ]"
1 13 GLU 0.027 0.008 17 0 "[ . 1 . ]"
1 14 PHE 0.068 0.014 2 0 "[ . 1 . ]"
1 15 LYS 0.114 0.023 13 0 "[ . 1 . ]"
1 16 GLU 0.138 0.027 18 0 "[ . 1 . ]"
1 17 ALA 0.027 0.008 17 0 "[ . 1 . ]"
1 18 PHE 0.068 0.014 2 0 "[ . 1 . ]"
1 19 SER 0.088 0.023 13 0 "[ . 1 . ]"
1 20 LEU 0.079 0.027 18 0 "[ . 1 . ]"
1 29 ILE 0.429 0.041 17 0 "[ . 1 . ]"
1 31 THR 0.017 0.017 6 0 "[ . 1 . ]"
1 32 LYS 0.224 0.029 18 0 "[ . 1 . ]"
1 33 GLU 0.028 0.012 8 0 "[ . 1 . ]"
1 34 LEU 0.046 0.009 9 0 "[ . 1 . ]"
1 35 GLY 0.272 0.041 2 0 "[ . 1 . ]"
1 36 THR 0.461 0.035 11 0 "[ . 1 . ]"
1 37 VAL 0.028 0.012 8 0 "[ . 1 . ]"
1 38 MET 0.046 0.009 9 0 "[ . 1 . ]"
1 39 ARG 0.255 0.041 2 0 "[ . 1 . ]"
1 40 SER 0.237 0.035 11 0 "[ . 1 . ]"
1 47 GLU 0.076 0.014 12 0 "[ . 1 . ]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 49 GLU 0.070 0.020 16 0 "[ . 1 . ]"
1 50 LEU 0.143 0.023 13 0 "[ . 1 . ]"
1 51 GLN 0.090 0.014 12 0 "[ . 1 . ]"
1 52 ASP 0.277 0.023 13 0 "[ . 1 . ]"
1 53 MET 0.355 0.025 17 0 "[ . 1 . ]"
1 54 ILE 0.143 0.023 13 0 "[ . 1 . ]"
1 55 ASN 0.014 0.007 12 0 "[ . 1 . ]"
1 56 GLU 0.277 0.023 13 0 "[ . 1 . ]"
1 57 VAL 0.286 0.025 17 0 "[ . 1 . ]"
1 65 ILE 0.429 0.041 17 0 "[ . 1 . ]"
1 69 GLU 0.489 0.067 11 0 "[ . 1 . ]"
1 70 PHE 0.224 0.047 11 0 "[ . 1 . ]"
1 71 LEU 0.012 0.006 3 0 "[ . 1 . ]"
1 73 MET 0.489 0.067 11 0 "[ . 1 . ]"
1 74 MET 0.224 0.047 11 0 "[ . 1 . ]"
1 75 ALA 0.012 0.006 3 0 "[ . 1 . ]"
1 83 SER 0.110 0.017 17 0 "[ . 1 . ]"
1 84 GLU 0.140 0.030 13 0 "[ . 1 . ]"
1 85 GLU 0.056 0.029 17 0 "[ . 1 . ]"
1 86 GLU 0.383 0.044 4 0 "[ . 1 . ]"
1 87 ILE 0.815 0.046 18 0 "[ . 1 . ]"
1 88 ARG 0.446 0.030 13 0 "[ . 1 . ]"
1 89 GLU 0.369 0.029 17 0 "[ . 1 . ]"
1 90 ALA 1.373 0.046 18 0 "[ . 1 . ]"
1 92 ARG 0.306 0.030 3 0 "[ . 1 . ]"
1 93 VAL 0.313 0.026 12 0 "[ . 1 . ]"
1 94 PHE 0.284 0.029 9 0 "[ . 1 . ]"
1 102 ILE 0.002 0.002 14 0 "[ . 1 . ]"
1 104 ALA 0.000 0.000 16 0 "[ . 1 . ]"
1 105 ALA 0.228 0.039 8 0 "[ . 1 . ]"
1 106 GLU 0.094 0.013 13 0 "[ . 1 . ]"
1 107 LEU 0.342 0.034 17 0 "[ . 1 . ]"
1 108 ARG 0.022 0.005 13 0 "[ . 1 . ]"
1 109 HIS 0.246 0.039 8 0 "[ . 1 . ]"
1 110 VAL 0.094 0.013 13 0 "[ . 1 . ]"
1 111 MET 0.342 0.034 17 0 "[ . 1 . ]"
1 112 THR 0.022 0.005 13 0 "[ . 1 . ]"
1 113 ASN 0.019 0.006 14 0 "[ . 1 . ]"
1 120 ASP 0.054 0.016 14 0 "[ . 1 . ]"
1 121 GLU 0.016 0.005 8 0 "[ . 1 . ]"
1 122 GLU 0.089 0.013 10 0 "[ . 1 . ]"
1 123 VAL 0.135 0.016 6 0 "[ . 1 . ]"
1 124 ASP 0.124 0.016 14 0 "[ . 1 . ]"
1 125 GLU 0.174 0.021 10 0 "[ . 1 . ]"
1 126 MET 0.115 0.013 10 0 "[ . 1 . ]"
1 127 ILE 0.135 0.016 6 0 "[ . 1 . ]"
1 128 ARG 0.070 0.008 18 0 "[ . 1 . ]"
1 129 GLU 0.158 0.021 10 0 "[ . 1 . ]"
1 130 ALA 0.026 0.008 15 0 "[ . 1 . ]"
1 138 VAL 0.002 0.002 14 0 "[ . 1 . ]"
1 140 TYR 0.480 0.045 1 0 "[ . 1 . ]"
1 144 VAL 0.480 0.045 1 0 "[ . 1 . ]"
1 155 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 156 SER 0.430 0.038 9 0 "[ . 1 . ]"
1 157 GLY 0.502 0.042 15 0 "[ . 1 . ]"
1 158 TRP 0.367 0.065 12 0 "[ . 1 . ]"
1 159 ARG 0.040 0.022 10 0 "[ . 1 . ]"
1 160 LYS 0.938 0.047 12 0 "[ . 1 . ]"
1 161 ILE 1.063 0.056 9 0 "[ . 1 . ]"
1 162 LYS 0.586 0.065 12 0 "[ . 1 . ]"
1 163 LEU 0.079 0.022 10 0 "[ . 1 . ]"
1 164 ALA 0.629 0.047 12 0 "[ . 1 . ]"
1 165 VAL 0.561 0.056 9 0 "[ . 1 . ]"
1 166 ARG 0.219 0.044 9 0 "[ . 1 . ]"
1 167 GLY 0.039 0.012 9 0 "[ . 1 . ]"
1 168 ALA 0.121 0.039 18 0 "[ . 1 . ]"
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 11 ILE O 1 15 LYS H . . 2.000 1.940 1.816 2.009 0.009 3 0 "[ . 1 . ]" 3
2 1 11 ILE O 1 15 LYS N . . 3.000 2.906 2.762 2.986 . 0 0 "[ . 1 . ]" 3
3 1 12 ALA O 1 16 GLU H . . 2.000 1.989 1.890 2.016 0.016 14 0 "[ . 1 . ]" 3
4 1 12 ALA O 1 16 GLU N . . 3.000 2.950 2.870 2.984 . 0 0 "[ . 1 . ]" 3
5 1 13 GLU O 1 17 ALA H . . 2.000 1.973 1.841 2.008 0.008 17 0 "[ . 1 . ]" 3
6 1 13 GLU O 1 17 ALA N . . 3.000 2.900 2.742 2.970 . 0 0 "[ . 1 . ]" 3
7 1 14 PHE O 1 18 PHE H . . 2.000 1.991 1.913 2.014 0.014 2 0 "[ . 1 . ]" 3
8 1 14 PHE O 1 18 PHE N . . 3.000 2.895 2.781 2.966 . 0 0 "[ . 1 . ]" 3
9 1 15 LYS O 1 19 SER H . . 2.000 1.994 1.909 2.023 0.023 13 0 "[ . 1 . ]" 3
10 1 15 LYS O 1 19 SER N . . 3.000 2.920 2.737 2.982 . 0 0 "[ . 1 . ]" 3
11 1 16 GLU O 1 20 LEU H . . 2.000 1.996 1.938 2.027 0.027 18 0 "[ . 1 . ]" 3
12 1 16 GLU O 1 20 LEU N . . 3.000 2.921 2.707 2.988 . 0 0 "[ . 1 . ]" 3
13 1 31 THR O 1 35 GLY H . . 2.000 1.879 1.778 2.017 0.017 6 0 "[ . 1 . ]" 3
14 1 31 THR O 1 35 GLY N . . 3.000 2.752 2.699 2.942 . 0 0 "[ . 1 . ]" 3
15 1 32 LYS O 1 36 THR H . . 2.000 2.011 1.996 2.029 0.029 18 0 "[ . 1 . ]" 3
16 1 32 LYS O 1 36 THR N . . 3.000 2.975 2.916 3.007 0.007 11 0 "[ . 1 . ]" 3
17 1 33 GLU O 1 37 VAL H . . 2.000 1.924 1.787 2.012 0.012 8 0 "[ . 1 . ]" 3
18 1 33 GLU O 1 37 VAL N . . 3.000 2.843 2.744 2.954 . 0 0 "[ . 1 . ]" 3
19 1 34 LEU O 1 38 MET H . . 2.000 1.947 1.838 2.009 0.009 9 0 "[ . 1 . ]" 3
20 1 34 LEU O 1 38 MET N . . 3.000 2.894 2.743 2.985 . 0 0 "[ . 1 . ]" 3
21 1 35 GLY O 1 39 ARG H . . 2.000 2.014 2.000 2.041 0.041 2 0 "[ . 1 . ]" 3
22 1 35 GLY O 1 39 ARG N . . 3.000 2.907 2.750 3.009 0.009 2 0 "[ . 1 . ]" 3
23 1 36 THR O 1 40 SER H . . 2.000 2.010 1.969 2.035 0.035 11 0 "[ . 1 . ]" 3
24 1 36 THR O 1 40 SER N . . 3.000 2.749 2.693 2.852 . 0 0 "[ . 1 . ]" 3
25 1 47 GLU O 1 51 GLN H . . 2.000 1.995 1.923 2.014 0.014 12 0 "[ . 1 . ]" 3
26 1 47 GLU O 1 51 GLN N . . 3.000 2.944 2.871 2.972 . 0 0 "[ . 1 . ]" 3
27 1 48 ALA O 1 52 ASP H . . 2.000 1.887 1.810 1.998 . 0 0 "[ . 1 . ]" 3
28 1 48 ALA O 1 52 ASP N . . 3.000 2.771 2.731 2.887 . 0 0 "[ . 1 . ]" 3
29 1 49 GLU O 1 53 MET H . . 2.000 1.989 1.848 2.020 0.020 16 0 "[ . 1 . ]" 3
30 1 49 GLU O 1 53 MET N . . 3.000 2.962 2.822 3.000 . 16 0 "[ . 1 . ]" 3
31 1 50 LEU O 1 54 ILE H . . 2.000 2.008 1.998 2.023 0.023 13 0 "[ . 1 . ]" 3
32 1 50 LEU O 1 54 ILE N . . 3.000 2.963 2.934 2.997 . 0 0 "[ . 1 . ]" 3
33 1 51 GLN O 1 55 ASN H . . 2.000 1.926 1.810 2.007 0.007 12 0 "[ . 1 . ]" 3
34 1 51 GLN O 1 55 ASN N . . 3.000 2.859 2.732 2.968 . 0 0 "[ . 1 . ]" 3
35 1 52 ASP O 1 56 GLU H . . 2.000 2.015 2.010 2.023 0.023 13 0 "[ . 1 . ]" 3
36 1 52 ASP O 1 56 GLU N . . 3.000 2.722 2.670 2.788 . 0 0 "[ . 1 . ]" 3
37 1 53 MET O 1 57 VAL H . . 2.000 2.016 2.007 2.025 0.025 17 0 "[ . 1 . ]" 3
38 1 53 MET O 1 57 VAL N . . 3.000 2.734 2.691 2.813 . 0 0 "[ . 1 . ]" 3
39 1 69 GLU O 1 73 MET H . . 2.000 2.026 2.015 2.067 0.067 11 0 "[ . 1 . ]" 3
40 1 69 GLU O 1 73 MET N . . 3.000 2.977 2.931 3.009 0.009 16 0 "[ . 1 . ]" 3
41 1 70 PHE O 1 74 MET H . . 2.000 2.010 1.984 2.047 0.047 11 0 "[ . 1 . ]" 3
42 1 70 PHE O 1 74 MET N . . 3.000 2.952 2.747 3.007 0.007 11 0 "[ . 1 . ]" 3
43 1 71 LEU O 1 75 ALA H . . 2.000 1.900 1.797 2.006 0.006 3 0 "[ . 1 . ]" 3
44 1 71 LEU O 1 75 ALA N . . 3.000 2.791 2.733 2.902 . 0 0 "[ . 1 . ]" 3
45 1 83 SER O 1 87 ILE H . . 2.000 2.002 1.945 2.017 0.017 17 0 "[ . 1 . ]" 3
46 1 83 SER O 1 87 ILE N . . 3.000 2.964 2.914 2.985 . 0 0 "[ . 1 . ]" 3
47 1 84 GLU O 1 88 ARG H . . 2.000 2.004 1.970 2.030 0.030 13 0 "[ . 1 . ]" 3
48 1 84 GLU O 1 88 ARG N . . 3.000 2.873 2.830 2.933 . 0 0 "[ . 1 . ]" 3
49 1 85 GLU O 1 89 GLU H . . 2.000 1.982 1.884 2.029 0.029 17 0 "[ . 1 . ]" 3
50 1 85 GLU O 1 89 GLU N . . 3.000 2.886 2.792 2.959 . 0 0 "[ . 1 . ]" 3
51 1 86 GLU O 1 90 ALA H . . 2.000 2.021 2.009 2.044 0.044 4 0 "[ . 1 . ]" 3
52 1 86 GLU O 1 90 ALA N . . 3.000 2.872 2.837 2.903 . 0 0 "[ . 1 . ]" 3
53 1 87 ILE O 1 90 ALA H . . 2.000 2.039 2.029 2.046 0.046 18 0 "[ . 1 . ]" 3
54 1 87 ILE O 1 90 ALA N . . 3.000 2.719 2.701 2.737 . 0 0 "[ . 1 . ]" 3
55 1 88 ARG O 1 92 ARG H . . 2.000 2.017 2.008 2.030 0.030 3 0 "[ . 1 . ]" 3
56 1 88 ARG O 1 92 ARG N . . 3.000 2.763 2.736 2.797 . 0 0 "[ . 1 . ]" 3
57 1 89 GLU O 1 93 VAL H . . 2.000 2.017 2.007 2.026 0.026 12 0 "[ . 1 . ]" 3
58 1 89 GLU O 1 93 VAL N . . 3.000 2.890 2.842 2.933 . 0 0 "[ . 1 . ]" 3
59 1 90 ALA O 1 94 PHE H . . 2.000 2.016 2.005 2.029 0.029 9 0 "[ . 1 . ]" 3
60 1 90 ALA O 1 94 PHE N . . 3.000 2.871 2.843 2.895 . 0 0 "[ . 1 . ]" 3
61 1 104 ALA O 1 108 ARG H . . 2.000 1.877 1.808 2.000 0.000 16 0 "[ . 1 . ]" 3
62 1 104 ALA O 1 108 ARG N . . 3.000 2.768 2.722 2.908 . 0 0 "[ . 1 . ]" 3
63 1 105 ALA O 1 109 HIS H . . 2.000 2.006 1.891 2.039 0.039 8 0 "[ . 1 . ]" 3
64 1 105 ALA O 1 109 HIS N . . 3.000 2.902 2.817 3.002 0.002 8 0 "[ . 1 . ]" 3
65 1 106 GLU O 1 110 VAL H . . 2.000 1.993 1.837 2.013 0.013 13 0 "[ . 1 . ]" 3
66 1 106 GLU O 1 110 VAL N . . 3.000 2.852 2.731 2.924 . 0 0 "[ . 1 . ]" 3
67 1 107 LEU O 1 111 MET H . . 2.000 2.019 2.000 2.034 0.034 17 0 "[ . 1 . ]" 3
68 1 107 LEU O 1 111 MET N . . 3.000 2.963 2.890 2.991 . 0 0 "[ . 1 . ]" 3
69 1 108 ARG O 1 112 THR H . . 2.000 1.955 1.796 2.005 0.005 13 0 "[ . 1 . ]" 3
70 1 108 ARG O 1 112 THR N . . 3.000 2.829 2.715 2.971 . 0 0 "[ . 1 . ]" 3
71 1 109 HIS O 1 113 ASN H . . 2.000 1.919 1.802 2.006 0.006 14 0 "[ . 1 . ]" 3
72 1 109 HIS O 1 113 ASN N . . 3.000 2.788 2.725 2.910 . 0 0 "[ . 1 . ]" 3
73 1 120 ASP O 1 124 ASP H . . 2.000 2.000 1.974 2.016 0.016 14 0 "[ . 1 . ]" 3
74 1 120 ASP O 1 124 ASP N . . 3.000 2.902 2.861 2.938 . 0 0 "[ . 1 . ]" 3
75 1 121 GLU O 1 125 GLU H . . 2.000 1.942 1.801 2.005 0.005 8 0 "[ . 1 . ]" 3
76 1 121 GLU O 1 125 GLU N . . 3.000 2.775 2.728 2.932 . 0 0 "[ . 1 . ]" 3
77 1 122 GLU O 1 126 MET H . . 2.000 2.003 1.966 2.013 0.013 10 0 "[ . 1 . ]" 3
78 1 122 GLU O 1 126 MET N . . 3.000 2.938 2.859 2.964 . 0 0 "[ . 1 . ]" 3
79 1 123 VAL O 1 127 ILE H . . 2.000 2.005 1.951 2.016 0.016 6 0 "[ . 1 . ]" 3
80 1 123 VAL O 1 127 ILE N . . 3.000 2.938 2.876 2.981 . 0 0 "[ . 1 . ]" 3
81 1 124 ASP O 1 128 ARG H . . 2.000 1.997 1.891 2.008 0.008 18 0 "[ . 1 . ]" 3
82 1 124 ASP O 1 128 ARG N . . 3.000 2.898 2.789 2.984 . 0 0 "[ . 1 . ]" 3
83 1 125 GLU O 1 129 GLU H . . 2.000 2.008 1.993 2.021 0.021 10 0 "[ . 1 . ]" 3
84 1 125 GLU O 1 129 GLU N . . 3.000 2.838 2.744 2.916 . 0 0 "[ . 1 . ]" 3
85 1 126 MET O 1 130 ALA H . . 2.000 1.935 1.821 2.008 0.008 15 0 "[ . 1 . ]" 3
86 1 126 MET O 1 130 ALA N . . 3.000 2.786 2.737 2.956 . 0 0 "[ . 1 . ]" 3
87 1 140 TYR O 1 144 VAL H . . 2.000 2.023 1.940 2.045 0.045 1 0 "[ . 1 . ]" 3
88 1 140 TYR O 1 144 VAL N . . 3.000 2.973 2.901 3.007 0.007 14 0 "[ . 1 . ]" 3
89 1 29 ILE O 1 65 ILE H . . 2.000 1.912 1.779 2.028 0.028 11 0 "[ . 1 . ]" 3
90 1 29 ILE O 1 65 ILE N . . 3.000 2.824 2.740 3.005 0.005 11 0 "[ . 1 . ]" 3
91 1 29 ILE H 1 65 ILE O . . 2.000 2.021 2.003 2.041 0.041 17 0 "[ . 1 . ]" 3
92 1 29 ILE N 1 65 ILE O . . 3.000 2.924 2.870 2.980 . 0 0 "[ . 1 . ]" 3
93 1 102 ILE H 1 138 VAL O . . 2.000 1.829 1.768 2.002 0.002 14 0 "[ . 1 . ]" 3
94 1 102 ILE N 1 138 VAL O . . 3.000 2.785 2.731 2.959 . 0 0 "[ . 1 . ]" 3
95 1 102 ILE O 1 138 VAL H . . 2.000 1.819 1.770 2.000 0.000 5 0 "[ . 1 . ]" 3
96 1 102 ILE O 1 138 VAL N . . 3.000 2.786 2.741 2.976 . 0 0 "[ . 1 . ]" 3
97 1 155 GLY O 1 159 ARG H . . 2.000 1.870 1.843 1.938 . 0 0 "[ . 1 . ]" 3
98 1 155 GLY O 1 159 ARG N . . 3.000 2.695 2.628 2.731 . 0 0 "[ . 1 . ]" 3
99 1 156 SER O 1 160 LYS H . . 2.000 2.024 2.007 2.038 0.038 9 0 "[ . 1 . ]" 3
100 1 156 SER O 1 160 LYS N . . 3.000 2.972 2.938 2.991 . 0 0 "[ . 1 . ]" 3
101 1 157 GLY O 1 161 ILE H . . 2.000 2.020 1.910 2.042 0.042 15 0 "[ . 1 . ]" 3
102 1 157 GLY O 1 161 ILE N . . 3.000 2.989 2.886 3.012 0.012 16 0 "[ . 1 . ]" 3
103 1 158 TRP O 1 162 LYS H . . 2.000 2.016 1.953 2.065 0.065 12 0 "[ . 1 . ]" 3
104 1 158 TRP O 1 162 LYS N . . 3.000 2.895 2.844 2.953 . 0 0 "[ . 1 . ]" 3
105 1 159 ARG O 1 163 LEU H . . 2.000 1.856 1.768 2.022 0.022 10 0 "[ . 1 . ]" 3
106 1 159 ARG O 1 163 LEU N . . 3.000 2.738 2.682 2.816 . 0 0 "[ . 1 . ]" 3
107 1 160 LYS O 1 164 ALA H . . 2.000 2.028 2.012 2.047 0.047 12 0 "[ . 1 . ]" 3
108 1 160 LYS O 1 164 ALA N . . 3.000 2.941 2.885 2.986 . 0 0 "[ . 1 . ]" 3
109 1 161 ILE O 1 165 VAL H . . 2.000 2.028 2.000 2.056 0.056 9 0 "[ . 1 . ]" 3
110 1 161 ILE O 1 165 VAL N . . 3.000 2.989 2.949 3.026 0.026 9 0 "[ . 1 . ]" 3
111 1 162 LYS O 1 166 ARG H . . 2.000 2.012 1.994 2.044 0.044 9 0 "[ . 1 . ]" 3
112 1 162 LYS O 1 166 ARG N . . 3.000 2.824 2.728 2.953 . 0 0 "[ . 1 . ]" 3
113 1 163 LEU O 1 167 GLY H . . 2.000 1.926 1.794 2.012 0.012 9 0 "[ . 1 . ]" 3
114 1 163 LEU O 1 167 GLY N . . 3.000 2.797 2.718 2.977 . 0 0 "[ . 1 . ]" 3
115 1 164 ALA O 1 168 ALA H . . 2.000 1.999 1.912 2.039 0.039 18 0 "[ . 1 . ]" 3
116 1 164 ALA O 1 168 ALA N . . 3.000 2.861 2.735 2.987 . 0 0 "[ . 1 . ]" 3
stop_
save_
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