NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
439735 |
2k73   |
15966 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k73
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 491
_Distance_constraint_stats_list.Viol_count 1033
_Distance_constraint_stats_list.Viol_total 566.816
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0118
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0029
_Distance_constraint_stats_list.Viol_average_violations_only 0.0274
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LEU 0.016 0.016 18 0 "[ . 1 . 2]"
1 3 ARG 0.186 0.035 4 0 "[ . 1 . 2]"
1 4 PHE 0.042 0.019 5 0 "[ . 1 . 2]"
1 5 LEU 0.195 0.035 4 0 "[ . 1 . 2]"
1 6 ASN 0.598 0.052 6 0 "[ . 1 . 2]"
1 7 GLN 0.003 0.002 13 0 "[ . 1 . 2]"
1 8 ALA 0.543 0.052 6 0 "[ . 1 . 2]"
1 9 SER 0.003 0.002 13 0 "[ . 1 . 2]"
1 10 GLN 0.216 0.025 13 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 GLY 0.810 0.085 2 0 "[ . 1 . 2]"
1 14 ALA 0.254 0.038 15 0 "[ . 1 . 2]"
1 15 TRP 0.845 0.085 2 0 "[ . 1 . 2]"
1 16 LEU 0.001 0.001 5 0 "[ . 1 . 2]"
1 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 MET 0.983 0.069 3 0 "[ . 1 . 2]"
1 19 ALA 0.018 0.007 8 0 "[ . 1 . 2]"
1 20 PHE 1.213 0.069 3 0 "[ . 1 . 2]"
1 21 THR 0.264 0.025 1 0 "[ . 1 . 2]"
1 22 ALA 0.136 0.025 1 0 "[ . 1 . 2]"
1 23 LEU 0.004 0.004 12 0 "[ . 1 . 2]"
1 24 ALA 0.166 0.022 9 0 "[ . 1 . 2]"
1 25 LEU 0.050 0.015 2 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.050 0.015 2 0 "[ . 1 . 2]"
1 28 THR 0.440 0.113 11 0 "[ . 1 . 2]"
1 29 ALA 0.003 0.003 17 0 "[ . 1 . 2]"
1 30 LEU 0.395 0.113 11 0 "[ . 1 . 2]"
1 31 TRP 0.011 0.011 11 0 "[ . 1 . 2]"
1 32 PHE 0.333 0.055 14 0 "[ . 1 . 2]"
1 33 GLN 0.284 0.097 16 0 "[ . 1 . 2]"
1 34 HIS 0.059 0.019 15 0 "[ . 1 . 2]"
1 35 VAL 0.412 0.097 16 0 "[ . 1 . 2]"
1 36 MET 0.053 0.015 7 0 "[ . 1 . 2]"
1 37 LEU 0.641 0.103 9 0 "[ . 1 . 2]"
1 38 LEU 0.682 0.103 9 0 "[ . 1 . 2]"
1 39 LYS 0.144 0.038 19 0 "[ . 1 . 2]"
1 42 VAL 0.274 0.037 5 0 "[ . 1 . 2]"
1 43 LEU 0.267 0.041 19 0 "[ . 1 . 2]"
1 44 SER 0.178 0.037 5 0 "[ . 1 . 2]"
1 45 ILE 0.297 0.041 19 0 "[ . 1 . 2]"
1 46 TYR 0.102 0.025 20 0 "[ . 1 . 2]"
1 47 GLU 0.154 0.021 11 0 "[ . 1 . 2]"
1 48 ARG 0.027 0.027 20 0 "[ . 1 . 2]"
1 49 ALA 0.509 0.041 1 0 "[ . 1 . 2]"
1 50 ALA 0.190 0.021 11 0 "[ . 1 . 2]"
1 51 LEU 0.445 0.041 1 0 "[ . 1 . 2]"
1 52 PHE 0.140 0.035 16 0 "[ . 1 . 2]"
1 53 GLY 0.811 0.073 4 0 "[ . 1 . 2]"
1 54 VAL 0.326 0.059 20 0 "[ . 1 . 2]"
1 55 LEU 0.133 0.035 16 0 "[ . 1 . 2]"
1 56 GLY 1.228 0.073 4 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.012 0.004 14 0 "[ . 1 . 2]"
1 59 LEU 0.305 0.057 13 0 "[ . 1 . 2]"
1 60 ILE 0.075 0.021 9 0 "[ . 1 . 2]"
1 61 GLY 0.137 0.051 15 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.222 0.051 15 0 "[ . 1 . 2]"
1 64 ALA 0.012 0.007 19 0 "[ . 1 . 2]"
1 66 LYS 1.125 0.086 3 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LEU 0.039 0.014 8 0 "[ . 1 . 2]"
1 70 ARG 1.227 0.086 3 0 "[ . 1 . 2]"
1 71 TYR 0.182 0.058 4 0 "[ . 1 . 2]"
1 72 VAL 0.066 0.027 11 0 "[ . 1 . 2]"
1 73 ALA 0.161 0.063 11 0 "[ . 1 . 2]"
1 74 MET 0.150 0.058 4 0 "[ . 1 . 2]"
1 75 VAL 0.055 0.030 17 0 "[ . 1 . 2]"
1 76 ILE 0.077 0.030 17 0 "[ . 1 . 2]"
1 77 TRP 3.483 0.125 20 0 "[ . 1 . 2]"
1 78 LEU 0.047 0.014 14 0 "[ . 1 . 2]"
1 79 TYR 0.373 0.057 20 0 "[ . 1 . 2]"
1 80 SER 0.620 0.057 20 0 "[ . 1 . 2]"
1 81 ALA 0.744 0.055 15 0 "[ . 1 . 2]"
1 82 PHE 0.397 0.055 15 0 "[ . 1 . 2]"
1 83 ARG 0.617 0.052 3 0 "[ . 1 . 2]"
1 84 GLY 0.037 0.034 19 0 "[ . 1 . 2]"
1 85 VAL 1.540 0.118 8 0 "[ . 1 . 2]"
1 86 GLN 0.226 0.030 1 0 "[ . 1 . 2]"
1 87 LEU 0.059 0.034 19 0 "[ . 1 . 2]"
1 88 THR 0.284 0.033 5 0 "[ . 1 . 2]"
1 89 TYR 0.113 0.033 5 0 "[ . 1 . 2]"
1 90 GLU 0.004 0.004 15 0 "[ . 1 . 2]"
1 91 HIS 0.031 0.015 5 0 "[ . 1 . 2]"
1 92 THR 0.137 0.029 18 0 "[ . 1 . 2]"
1 93 MET 0.313 0.063 7 0 "[ . 1 . 2]"
1 94 LEU 0.631 0.103 3 0 "[ . 1 . 2]"
1 95 GLN 0.167 0.063 7 0 "[ . 1 . 2]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 TYR 0.396 0.103 3 0 "[ . 1 . 2]"
1 99 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 MET 0.005 0.005 17 0 "[ . 1 . 2]"
1 108 VAL 0.145 0.031 15 0 "[ . 1 . 2]"
1 109 ARG 0.048 0.017 16 0 "[ . 1 . 2]"
1 110 PHE 0.052 0.017 16 0 "[ . 1 . 2]"
1 112 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 113 TRP 0.054 0.020 14 0 "[ . 1 . 2]"
1 114 LEU 1.373 0.128 3 0 "[ . 1 . 2]"
1 116 LEU 2.181 0.150 1 0 "[ . 1 . 2]"
1 117 ASP 0.058 0.048 16 0 "[ . 1 . 2]"
1 118 LYS 1.324 0.128 3 0 "[ . 1 . 2]"
1 119 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 120 VAL 2.220 0.150 1 0 "[ . 1 . 2]"
1 122 GLN 0.853 0.114 9 0 "[ . 1 . 2]"
1 123 VAL 0.160 0.025 19 0 "[ . 1 . 2]"
1 124 PHE 0.064 0.025 19 0 "[ . 1 . 2]"
1 125 VAL 1.125 0.124 14 0 "[ . 1 . 2]"
1 126 ALA 0.392 0.124 14 0 "[ . 1 . 2]"
1 127 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 128 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 129 ASP 0.669 0.050 20 0 "[ . 1 . 2]"
1 130 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 131 ALA 0.052 0.028 6 0 "[ . 1 . 2]"
1 132 GLU 0.674 0.050 20 0 "[ . 1 . 2]"
1 134 GLN 0.299 0.052 20 0 "[ . 1 . 2]"
1 135 TRP 0.202 0.052 20 0 "[ . 1 . 2]"
1 136 ASP 0.400 0.058 18 0 "[ . 1 . 2]"
1 137 PHE 0.121 0.027 14 0 "[ . 1 . 2]"
1 138 LEU 0.337 0.138 11 0 "[ . 1 . 2]"
1 139 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 140 LEU 0.670 0.109 13 0 "[ . 1 . 2]"
1 141 GLU 0.525 0.054 9 0 "[ . 1 . 2]"
1 142 MET 0.400 0.058 18 0 "[ . 1 . 2]"
1 144 GLN 0.531 0.054 9 0 "[ . 1 . 2]"
1 145 TRP 1.074 0.138 11 0 "[ . 1 . 2]"
1 146 LEU 0.147 0.049 9 0 "[ . 1 . 2]"
1 147 LEU 0.012 0.009 10 0 "[ . 1 . 2]"
1 148 GLY 0.295 0.047 20 0 "[ . 1 . 2]"
1 149 ILE 0.677 0.049 9 0 "[ . 1 . 2]"
1 150 PHE 0.014 0.012 4 0 "[ . 1 . 2]"
1 151 ILE 0.736 0.109 18 0 "[ . 1 . 2]"
1 152 ALA 1.171 0.118 8 0 "[ . 1 . 2]"
1 153 TYR 1.100 0.109 18 0 "[ . 1 . 2]"
1 154 LEU 0.592 0.044 3 0 "[ . 1 . 2]"
1 155 ILE 2.028 0.113 7 0 "[ . 1 . 2]"
1 156 VAL 0.545 0.066 18 0 "[ . 1 . 2]"
1 157 ALA 1.062 0.125 20 0 "[ . 1 . 2]"
1 158 VAL 0.682 0.066 18 0 "[ . 1 . 2]"
1 159 LEU 0.101 0.019 8 0 "[ . 1 . 2]"
1 160 VAL 0.355 0.039 9 0 "[ . 1 . 2]"
1 161 VAL 0.422 0.045 9 0 "[ . 1 . 2]"
1 162 ILE 0.617 0.045 9 0 "[ . 1 . 2]"
1 163 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 164 GLN 0.175 0.071 10 0 "[ . 1 . 2]"
1 166 PHE 0.175 0.071 10 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 LEU H 1 3 ARG H 2.900 . 2.900 2.658 2.502 2.791 . 0 0 "[ . 1 . 2]" 1
2 1 2 LEU H 1 4 PHE H 4.300 . 4.300 4.120 3.928 4.316 0.016 18 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 5 LEU H 5.500 . 5.500 4.863 4.706 4.987 . 0 0 "[ . 1 . 2]" 1
4 1 3 ARG H 1 4 PHE H 2.900 . 2.900 2.752 2.658 2.897 . 0 0 "[ . 1 . 2]" 1
5 1 3 ARG H 1 5 LEU H 4.300 . 4.300 4.284 4.202 4.335 0.035 4 0 "[ . 1 . 2]" 1
6 1 4 PHE H 1 5 LEU H 2.900 . 2.900 2.594 2.480 2.711 . 0 0 "[ . 1 . 2]" 1
7 1 4 PHE H 1 6 ASN H 4.300 . 4.300 4.165 4.037 4.319 0.019 5 0 "[ . 1 . 2]" 1
8 1 5 LEU H 1 6 ASN H 2.900 . 2.900 2.841 2.777 2.907 0.007 6 0 "[ . 1 . 2]" 1
9 1 5 LEU H 1 7 GLN H 4.300 . 4.300 4.006 3.881 4.088 . 0 0 "[ . 1 . 2]" 1
10 1 5 LEU H 1 8 ALA H 5.500 . 5.500 4.753 4.682 4.834 . 0 0 "[ . 1 . 2]" 1
11 1 6 ASN H 1 7 GLN H 2.900 . 2.900 2.520 2.477 2.569 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLN H 1 8 ALA H 2.900 . 2.900 2.533 2.491 2.604 . 0 0 "[ . 1 . 2]" 1
13 1 7 GLN H 1 9 SER HG 6.000 . 6.000 5.110 3.864 6.002 0.002 13 0 "[ . 1 . 2]" 1
14 1 6 ASN H 1 8 ALA H 4.300 . 4.300 4.327 4.297 4.352 0.052 6 0 "[ . 1 . 2]" 1
15 1 8 ALA H 1 9 SER HG 5.400 . 5.400 4.724 4.037 5.400 . 0 0 "[ . 1 . 2]" 1
16 1 8 ALA H 1 9 SER H 2.900 . 2.900 2.640 2.558 2.707 . 0 0 "[ . 1 . 2]" 1
17 1 8 ALA H 1 10 GLN H 4.300 . 4.300 4.109 3.993 4.277 . 0 0 "[ . 1 . 2]" 1
18 1 8 ALA H 1 11 GLY H 5.500 . 5.500 5.385 5.280 5.482 . 0 0 "[ . 1 . 2]" 1
19 1 6 ASN H 1 9 SER H 5.500 . 5.500 4.790 4.654 4.917 . 0 0 "[ . 1 . 2]" 1
20 1 7 GLN H 1 9 SER H 4.300 . 4.300 3.795 3.713 3.924 . 0 0 "[ . 1 . 2]" 1
21 1 9 SER H 1 9 SER HG 4.800 . 4.800 2.587 1.984 3.266 . 0 0 "[ . 1 . 2]" 1
22 1 9 SER H 1 10 GLN H 4.300 . 4.300 2.472 2.444 2.557 . 0 0 "[ . 1 . 2]" 1
23 1 9 SER H 1 11 GLY H 4.300 . 4.300 3.927 3.833 4.018 . 0 0 "[ . 1 . 2]" 1
24 1 7 GLN H 1 10 GLN H 5.500 . 5.500 4.485 4.388 4.594 . 0 0 "[ . 1 . 2]" 1
25 1 9 SER HG 1 10 GLN H 4.800 . 4.800 3.563 1.910 4.666 . 0 0 "[ . 1 . 2]" 1
26 1 10 GLN H 1 11 GLY H 2.900 . 2.900 2.719 2.670 2.759 . 0 0 "[ . 1 . 2]" 1
27 1 9 SER HG 1 11 GLY H 6.000 . 6.000 5.186 4.078 5.799 . 0 0 "[ . 1 . 2]" 1
28 1 11 GLY H 1 14 ALA H 5.500 . 5.500 4.439 4.021 4.804 . 0 0 "[ . 1 . 2]" 1
29 1 11 GLY H 1 12 ARG H 5.500 . 5.500 4.523 4.490 4.559 . 0 0 "[ . 1 . 2]" 1
30 1 12 ARG H 1 13 GLY H 2.900 . 2.900 2.617 2.523 2.687 . 0 0 "[ . 1 . 2]" 1
31 1 12 ARG H 1 14 ALA H 4.900 . 4.900 4.370 4.184 4.630 . 0 0 "[ . 1 . 2]" 1
32 1 13 GLY H 1 14 ALA H 2.900 . 2.900 2.785 2.613 2.938 0.038 15 0 "[ . 1 . 2]" 1
33 1 13 GLY H 1 15 TRP H 4.300 . 4.300 4.301 4.202 4.385 0.085 2 0 "[ . 1 . 2]" 1
34 1 14 ALA H 1 15 TRP H 2.900 . 2.900 2.738 2.701 2.792 . 0 0 "[ . 1 . 2]" 1
35 1 14 ALA H 1 16 LEU H 4.300 . 4.300 4.131 3.959 4.301 0.001 5 0 "[ . 1 . 2]" 1
36 1 15 TRP H 1 16 LEU H 2.900 . 2.900 2.756 2.619 2.890 . 0 0 "[ . 1 . 2]" 1
37 1 15 TRP H 1 17 LEU H 4.300 . 4.300 3.963 3.900 4.062 . 0 0 "[ . 1 . 2]" 1
38 1 13 GLY H 1 16 LEU H 5.500 . 5.500 4.702 4.583 4.842 . 0 0 "[ . 1 . 2]" 1
39 1 16 LEU H 1 17 LEU H 2.900 . 2.900 2.556 2.451 2.646 . 0 0 "[ . 1 . 2]" 1
40 1 16 LEU H 1 19 ALA H 5.500 . 5.500 4.936 4.805 5.037 . 0 0 "[ . 1 . 2]" 1
41 1 14 ALA H 1 17 LEU H 4.900 . 4.900 4.588 4.460 4.664 . 0 0 "[ . 1 . 2]" 1
42 1 17 LEU H 1 17 LEU QD 4.800 . 4.800 3.367 2.485 3.745 . 0 0 "[ . 1 . 2]" 1
43 1 17 LEU H 1 18 MET H 2.900 . 2.900 2.551 2.527 2.606 . 0 0 "[ . 1 . 2]" 1
44 1 17 LEU H 1 19 ALA H 4.300 . 4.300 4.059 3.862 4.128 . 0 0 "[ . 1 . 2]" 1
45 1 15 TRP H 1 18 MET H 4.900 . 4.900 4.870 4.795 4.926 0.026 13 0 "[ . 1 . 2]" 1
46 1 17 LEU QD 1 18 MET H 5.400 . 5.400 4.138 3.797 4.308 . 0 0 "[ . 1 . 2]" 1
47 1 18 MET H 1 19 ALA H 2.900 . 2.900 2.459 2.421 2.575 . 0 0 "[ . 1 . 2]" 1
48 1 19 ALA H 1 20 PHE H 2.900 . 2.900 2.727 2.642 2.755 . 0 0 "[ . 1 . 2]" 1
49 1 19 ALA H 1 21 THR HG1 6.000 . 6.000 4.311 3.930 5.676 . 0 0 "[ . 1 . 2]" 1
50 1 19 ALA H 1 21 THR H 4.300 . 4.300 4.182 3.914 4.307 0.007 8 0 "[ . 1 . 2]" 1
51 1 18 MET H 1 20 PHE H 4.300 . 4.300 4.346 4.319 4.369 0.069 3 0 "[ . 1 . 2]" 1
52 1 20 PHE H 1 21 THR HG1 4.800 . 4.800 4.037 3.685 4.803 0.003 15 0 "[ . 1 . 2]" 1
53 1 20 PHE H 1 21 THR H 2.900 . 2.900 2.861 2.657 2.919 0.019 3 0 "[ . 1 . 2]" 1
54 1 20 PHE H 1 22 ALA H 4.900 . 4.900 4.586 4.359 4.774 . 0 0 "[ . 1 . 2]" 1
55 1 21 THR H 1 21 THR HG1 3.400 . 3.400 1.940 1.801 2.618 . 0 0 "[ . 1 . 2]" 1
56 1 21 THR H 1 22 ALA H 4.300 . 4.300 2.979 2.654 3.112 . 0 0 "[ . 1 . 2]" 1
57 1 21 THR H 1 23 LEU H 4.300 . 4.300 4.015 3.770 4.234 . 0 0 "[ . 1 . 2]" 1
58 1 21 THR HG1 1 22 ALA H 4.800 . 4.800 2.226 1.775 4.160 0.025 1 0 "[ . 1 . 2]" 1
59 1 22 ALA H 1 23 LEU H 4.300 . 4.300 2.718 2.572 2.844 . 0 0 "[ . 1 . 2]" 1
60 1 22 ALA H 1 24 ALA H 4.300 . 4.300 4.258 4.021 4.322 0.022 9 0 "[ . 1 . 2]" 1
61 1 21 THR HG1 1 23 LEU H 5.400 . 5.400 4.342 3.916 5.404 0.004 12 0 "[ . 1 . 2]" 1
62 1 23 LEU H 1 24 ALA H 2.900 . 2.900 2.494 2.372 2.597 . 0 0 "[ . 1 . 2]" 1
63 1 23 LEU H 1 25 LEU H 4.300 . 4.300 4.124 3.945 4.267 . 0 0 "[ . 1 . 2]" 1
64 1 21 THR HG1 1 24 ALA H 5.400 . 5.400 5.265 5.107 5.420 0.020 18 0 "[ . 1 . 2]" 1
65 1 21 THR H 1 24 ALA H 5.500 . 5.500 4.567 4.438 4.618 . 0 0 "[ . 1 . 2]" 1
66 1 24 ALA H 1 25 LEU H 2.900 . 2.900 2.815 2.713 2.896 . 0 0 "[ . 1 . 2]" 1
67 1 24 ALA H 1 26 GLU H 4.300 . 4.300 4.114 3.973 4.197 . 0 0 "[ . 1 . 2]" 1
68 1 24 ALA H 1 28 THR HG1 6.000 . 6.000 5.919 5.736 6.010 0.010 11 0 "[ . 1 . 2]" 1
69 1 25 LEU H 1 26 GLU H 2.900 . 2.900 2.499 2.402 2.555 . 0 0 "[ . 1 . 2]" 1
70 1 25 LEU H 1 28 THR HG1 5.400 . 5.400 4.270 3.954 5.166 . 0 0 "[ . 1 . 2]" 1
71 1 26 GLU H 1 27 LEU H 2.900 . 2.900 2.629 2.545 2.769 . 0 0 "[ . 1 . 2]" 1
72 1 25 LEU H 1 27 LEU H 4.300 . 4.300 4.208 3.962 4.315 0.015 2 0 "[ . 1 . 2]" 1
73 1 27 LEU H 1 28 THR HG1 4.800 . 4.800 3.829 3.490 4.335 . 0 0 "[ . 1 . 2]" 1
74 1 27 LEU H 1 28 THR H 2.900 . 2.900 2.762 2.649 2.866 . 0 0 "[ . 1 . 2]" 1
75 1 27 LEU H 1 29 ALA H 4.300 . 4.300 3.920 3.791 4.056 . 0 0 "[ . 1 . 2]" 1
76 1 28 THR H 1 28 THR HG1 3.400 . 3.400 1.928 1.739 2.477 0.061 16 0 "[ . 1 . 2]" 1
77 1 28 THR H 1 29 ALA H 2.900 . 2.900 2.830 2.691 2.903 0.003 17 0 "[ . 1 . 2]" 1
78 1 28 THR HG1 1 29 ALA H 4.800 . 4.800 2.953 2.354 4.036 . 0 0 "[ . 1 . 2]" 1
79 1 29 ALA H 1 30 LEU H 2.900 . 2.900 2.423 2.338 2.490 . 0 0 "[ . 1 . 2]" 1
80 1 29 ALA H 1 31 TRP H 4.300 . 4.300 3.873 3.743 4.029 . 0 0 "[ . 1 . 2]" 1
81 1 28 THR HG1 1 30 LEU H 5.400 . 5.400 5.056 4.544 5.513 0.113 11 0 "[ . 1 . 2]" 1
82 1 28 THR H 1 30 LEU H 4.900 . 4.900 4.214 3.980 4.422 . 0 0 "[ . 1 . 2]" 1
83 1 30 LEU H 1 31 TRP H 2.900 . 2.900 2.685 2.599 2.787 . 0 0 "[ . 1 . 2]" 1
84 1 30 LEU H 1 32 PHE H 4.300 . 4.300 4.248 4.023 4.318 0.018 18 0 "[ . 1 . 2]" 1
85 1 28 THR H 1 31 TRP H 5.500 . 5.500 5.176 5.071 5.265 . 0 0 "[ . 1 . 2]" 1
86 1 31 TRP H 1 32 PHE H 2.900 . 2.900 2.249 2.155 2.365 . 0 0 "[ . 1 . 2]" 1
87 1 31 TRP H 1 33 GLN H 4.300 . 4.300 4.004 3.852 4.241 . 0 0 "[ . 1 . 2]" 1
88 1 31 TRP HE1 1 35 VAL QG 3.400 . 3.400 2.718 2.060 3.411 0.011 11 0 "[ . 1 . 2]" 1
89 1 29 ALA H 1 32 PHE H 5.500 . 5.500 4.860 4.692 5.121 . 0 0 "[ . 1 . 2]" 1
90 1 32 PHE H 1 33 GLN H 2.900 . 2.900 2.696 2.519 2.839 . 0 0 "[ . 1 . 2]" 1
91 1 32 PHE H 1 35 VAL H 4.900 . 4.900 4.863 4.571 4.955 0.055 14 0 "[ . 1 . 2]" 1
92 1 33 GLN H 1 34 HIS H 2.900 . 2.900 2.516 2.369 2.865 . 0 0 "[ . 1 . 2]" 1
93 1 33 GLN H 1 35 VAL H 4.300 . 4.300 3.983 3.669 4.397 0.097 16 0 "[ . 1 . 2]" 1
94 1 33 GLN H 1 36 MET H 4.900 . 4.900 4.477 4.282 4.802 . 0 0 "[ . 1 . 2]" 1
95 1 32 PHE H 1 34 HIS H 4.300 . 4.300 4.019 3.497 4.319 0.019 15 0 "[ . 1 . 2]" 1
96 1 34 HIS H 1 35 VAL QG 5.400 . 5.400 3.815 3.024 4.241 . 0 0 "[ . 1 . 2]" 1
97 1 34 HIS H 1 35 VAL H 2.900 . 2.900 2.567 2.130 2.786 . 0 0 "[ . 1 . 2]" 1
98 1 34 HIS H 1 36 MET H 4.300 . 4.300 3.993 3.065 4.315 0.015 7 0 "[ . 1 . 2]" 1
99 1 34 HIS H 1 37 LEU H 4.900 . 4.900 4.659 3.769 4.905 0.005 8 0 "[ . 1 . 2]" 1
100 1 35 VAL H 1 36 MET H 4.300 . 4.300 2.173 1.986 2.604 . 0 0 "[ . 1 . 2]" 1
101 1 35 VAL H 1 37 LEU H 4.300 . 4.300 3.410 3.209 3.875 . 0 0 "[ . 1 . 2]" 1
102 1 35 VAL QG 1 36 MET H 4.800 . 4.800 2.605 1.793 3.422 0.007 5 0 "[ . 1 . 2]" 1
103 1 36 MET H 1 37 LEU H 4.300 . 4.300 2.485 2.136 2.686 . 0 0 "[ . 1 . 2]" 1
104 1 36 MET H 1 38 LEU H 5.500 . 5.500 3.919 3.493 4.198 . 0 0 "[ . 1 . 2]" 1
105 1 35 VAL QG 1 37 LEU H 5.400 . 5.400 4.004 3.636 4.382 . 0 0 "[ . 1 . 2]" 1
106 1 37 LEU H 1 37 LEU QD 4.800 . 4.800 2.857 1.810 3.624 . 0 0 "[ . 1 . 2]" 1
107 1 37 LEU H 1 38 LEU H 2.900 . 2.900 2.924 2.814 3.003 0.103 9 0 "[ . 1 . 2]" 1
108 1 37 LEU QD 1 38 LEU H 4.800 . 4.800 4.261 4.010 4.491 . 0 0 "[ . 1 . 2]" 1
109 1 38 LEU H 1 38 LEU QD 4.800 . 4.800 3.402 2.766 3.744 . 0 0 "[ . 1 . 2]" 1
110 1 38 LEU H 1 39 LYS H 4.900 . 4.900 4.619 4.558 4.641 . 0 0 "[ . 1 . 2]" 1
111 1 38 LEU QD 1 39 LYS H 4.800 . 4.800 2.741 1.762 3.461 0.038 19 0 "[ . 1 . 2]" 1
112 1 42 VAL H 1 42 VAL QG 3.400 . 3.400 1.910 1.769 2.224 0.031 17 0 "[ . 1 . 2]" 1
113 1 42 VAL H 1 43 LEU H 2.900 . 2.900 2.735 2.543 2.904 0.004 9 0 "[ . 1 . 2]" 1
114 1 42 VAL H 1 44 SER H 4.300 . 4.300 4.254 4.070 4.337 0.037 5 0 "[ . 1 . 2]" 1
115 1 42 VAL QG 1 43 LEU H 4.800 . 4.800 2.607 1.779 3.205 0.021 8 0 "[ . 1 . 2]" 1
116 1 43 LEU H 1 44 SER H 2.900 . 2.900 2.694 2.512 2.789 . 0 0 "[ . 1 . 2]" 1
117 1 43 LEU H 1 45 ILE H 4.300 . 4.300 4.301 4.233 4.341 0.041 19 0 "[ . 1 . 2]" 1
118 1 42 VAL QG 1 44 SER H 4.800 . 4.800 4.419 3.994 4.800 0.000 4 0 "[ . 1 . 2]" 1
119 1 44 SER H 1 45 ILE H 4.300 . 4.300 2.863 2.724 2.950 . 0 0 "[ . 1 . 2]" 1
120 1 44 SER H 1 46 TYR H 4.300 . 4.300 4.196 4.034 4.323 0.023 16 0 "[ . 1 . 2]" 1
121 1 42 VAL H 1 45 ILE H 5.500 . 5.500 4.955 4.785 5.091 . 0 0 "[ . 1 . 2]" 1
122 1 44 SER HG 1 45 ILE H 6.000 . 6.000 4.085 2.546 4.851 . 0 0 "[ . 1 . 2]" 1
123 1 45 ILE H 1 45 ILE MD 4.800 . 4.800 3.436 3.082 4.264 . 0 0 "[ . 1 . 2]" 1
124 1 45 ILE H 1 46 TYR H 2.900 . 2.900 2.670 2.548 2.750 . 0 0 "[ . 1 . 2]" 1
125 1 45 ILE H 1 47 GLU H 4.300 . 4.300 4.226 4.141 4.308 0.008 11 0 "[ . 1 . 2]" 1
126 1 45 ILE H 1 48 ARG H 4.900 . 4.900 4.728 4.563 4.927 0.027 20 0 "[ . 1 . 2]" 1
127 1 43 LEU H 1 46 TYR H 5.500 . 5.500 4.733 4.599 4.930 . 0 0 "[ . 1 . 2]" 1
128 1 45 ILE MD 1 46 TYR H 5.400 . 5.400 4.414 3.766 4.761 . 0 0 "[ . 1 . 2]" 1
129 1 46 TYR H 1 47 GLU H 2.900 . 2.900 2.752 2.670 2.817 . 0 0 "[ . 1 . 2]" 1
130 1 46 TYR H 1 48 ARG H 4.300 . 4.300 4.099 3.935 4.283 . 0 0 "[ . 1 . 2]" 1
131 1 44 SER H 1 47 GLU H 4.900 . 4.900 4.763 4.621 4.878 . 0 0 "[ . 1 . 2]" 1
132 1 47 GLU H 1 48 ARG H 2.900 . 2.900 2.692 2.598 2.819 . 0 0 "[ . 1 . 2]" 1
133 1 47 GLU H 1 49 ALA H 4.300 . 4.300 4.084 3.992 4.207 . 0 0 "[ . 1 . 2]" 1
134 1 47 GLU H 1 50 ALA H 4.900 . 4.900 4.875 4.756 4.921 0.021 11 0 "[ . 1 . 2]" 1
135 1 48 ARG H 1 49 ALA H 2.900 . 2.900 2.645 2.571 2.763 . 0 0 "[ . 1 . 2]" 1
136 1 46 TYR H 1 49 ALA H 4.900 . 4.900 4.826 4.674 4.925 0.025 20 0 "[ . 1 . 2]" 1
137 1 49 ALA H 1 50 ALA H 2.900 . 2.900 2.571 2.525 2.653 . 0 0 "[ . 1 . 2]" 1
138 1 49 ALA H 1 52 PHE H 5.500 . 5.500 4.696 4.601 4.767 . 0 0 "[ . 1 . 2]" 1
139 1 48 ARG H 1 50 ALA H 4.300 . 4.300 4.143 4.001 4.289 . 0 0 "[ . 1 . 2]" 1
140 1 50 ALA H 1 51 LEU H 2.900 . 2.900 2.765 2.705 2.836 . 0 0 "[ . 1 . 2]" 1
141 1 50 ALA H 1 52 PHE H 4.300 . 4.300 4.271 4.164 4.319 0.019 1 0 "[ . 1 . 2]" 1
142 1 50 ALA H 1 53 GLY H 4.900 . 4.900 4.672 4.517 4.782 . 0 0 "[ . 1 . 2]" 1
143 1 49 ALA H 1 51 LEU H 4.300 . 4.300 4.322 4.299 4.341 0.041 1 0 "[ . 1 . 2]" 1
144 1 51 LEU H 1 52 PHE H 2.900 . 2.900 2.622 2.549 2.725 . 0 0 "[ . 1 . 2]" 1
145 1 51 LEU H 1 54 VAL H 4.900 . 4.900 4.630 4.531 4.821 . 0 0 "[ . 1 . 2]" 1
146 1 52 PHE H 1 53 GLY H 2.900 . 2.900 2.842 2.749 2.881 . 0 0 "[ . 1 . 2]" 1
147 1 52 PHE H 1 54 VAL H 4.900 . 4.900 4.267 4.144 4.518 . 0 0 "[ . 1 . 2]" 1
148 1 52 PHE H 1 55 LEU H 4.900 . 4.900 4.780 4.615 4.935 0.035 16 0 "[ . 1 . 2]" 1
149 1 51 LEU H 1 53 GLY H 4.300 . 4.300 3.937 3.803 4.066 . 0 0 "[ . 1 . 2]" 1
150 1 53 GLY H 1 54 VAL QG 4.800 . 4.800 4.179 3.623 4.325 . 0 0 "[ . 1 . 2]" 1
151 1 53 GLY H 1 54 VAL H 2.900 . 2.900 2.640 2.575 2.742 . 0 0 "[ . 1 . 2]" 1
152 1 53 GLY H 1 55 LEU H 4.300 . 4.300 4.097 3.787 4.213 . 0 0 "[ . 1 . 2]" 1
153 1 53 GLY H 1 56 GLY H 4.900 . 4.900 4.934 4.783 4.973 0.073 4 0 "[ . 1 . 2]" 1
154 1 54 VAL H 1 55 LEU H 2.900 . 2.900 2.650 2.498 2.736 . 0 0 "[ . 1 . 2]" 1
155 1 54 VAL H 1 56 GLY H 4.300 . 4.300 4.229 4.168 4.353 0.053 17 0 "[ . 1 . 2]" 1
156 1 54 VAL H 1 57 ALA H 4.900 . 4.900 4.721 4.669 4.886 . 0 0 "[ . 1 . 2]" 1
157 1 54 VAL QG 1 55 LEU H 4.800 . 4.800 3.017 2.045 3.451 . 0 0 "[ . 1 . 2]" 1
158 1 55 LEU H 1 56 GLY H 2.900 . 2.900 2.805 2.337 2.914 0.014 10 0 "[ . 1 . 2]" 1
159 1 56 GLY H 1 57 ALA H 2.900 . 2.900 2.575 2.509 2.692 . 0 0 "[ . 1 . 2]" 1
160 1 56 GLY H 1 58 ALA H 4.300 . 4.300 4.174 3.960 4.304 0.004 14 0 "[ . 1 . 2]" 1
161 1 57 ALA H 1 58 ALA H 2.900 . 2.900 2.608 2.466 2.852 . 0 0 "[ . 1 . 2]" 1
162 1 57 ALA H 1 59 LEU H 4.300 . 4.300 3.962 3.772 4.249 . 0 0 "[ . 1 . 2]" 1
163 1 58 ALA H 1 59 LEU H 2.900 . 2.900 2.543 2.434 2.728 . 0 0 "[ . 1 . 2]" 1
164 1 56 GLY H 1 59 LEU H 4.900 . 4.900 4.880 4.771 4.957 0.057 13 0 "[ . 1 . 2]" 1
165 1 59 LEU H 1 60 ILE MD 5.400 . 5.400 4.790 3.695 5.327 . 0 0 "[ . 1 . 2]" 1
166 1 59 LEU H 1 60 ILE H 2.900 . 2.900 2.512 2.391 2.700 . 0 0 "[ . 1 . 2]" 1
167 1 59 LEU H 1 61 GLY H 4.300 . 4.300 3.935 3.704 4.098 . 0 0 "[ . 1 . 2]" 1
168 1 59 LEU H 1 62 ALA H 5.500 . 5.500 4.654 4.468 4.911 . 0 0 "[ . 1 . 2]" 1
169 1 57 ALA H 1 60 ILE H 5.500 . 5.500 4.822 4.692 5.015 . 0 0 "[ . 1 . 2]" 1
170 1 60 ILE H 1 60 ILE MD 4.800 . 4.800 3.274 2.172 3.733 . 0 0 "[ . 1 . 2]" 1
171 1 60 ILE H 1 61 GLY H 2.900 . 2.900 2.441 2.380 2.600 . 0 0 "[ . 1 . 2]" 1
172 1 60 ILE H 1 62 ALA H 4.300 . 4.300 3.852 3.710 4.044 . 0 0 "[ . 1 . 2]" 1
173 1 60 ILE H 1 63 ILE MD 5.400 . 5.400 4.506 4.036 5.162 . 0 0 "[ . 1 . 2]" 1
174 1 60 ILE H 1 63 ILE H 5.500 . 5.500 5.445 5.302 5.521 0.021 9 0 "[ . 1 . 2]" 1
175 1 60 ILE MD 1 61 GLY H 5.400 . 5.400 4.394 3.729 4.790 . 0 0 "[ . 1 . 2]" 1
176 1 61 GLY H 1 62 ALA H 2.900 . 2.900 2.516 2.402 2.655 . 0 0 "[ . 1 . 2]" 1
177 1 61 GLY H 1 63 ILE MD 4.800 . 4.800 4.559 3.852 4.851 0.051 15 0 "[ . 1 . 2]" 1
178 1 61 GLY H 1 63 ILE H 4.300 . 4.300 4.108 3.976 4.225 . 0 0 "[ . 1 . 2]" 1
179 1 62 ALA H 1 63 ILE MD 5.400 . 5.400 4.310 2.810 4.973 . 0 0 "[ . 1 . 2]" 1
180 1 62 ALA H 1 63 ILE H 2.900 . 2.900 2.690 2.498 2.885 . 0 0 "[ . 1 . 2]" 1
181 1 63 ILE H 1 63 ILE MD 4.800 . 4.800 3.180 2.037 3.666 . 0 0 "[ . 1 . 2]" 1
182 1 63 ILE H 1 64 ALA H 4.300 . 4.300 2.370 2.243 2.634 . 0 0 "[ . 1 . 2]" 1
183 1 62 ALA H 1 64 ALA H 5.500 . 5.500 4.653 4.341 5.095 . 0 0 "[ . 1 . 2]" 1
184 1 63 ILE MD 1 64 ALA H 4.800 . 4.800 4.441 3.910 4.807 0.007 19 0 "[ . 1 . 2]" 1
185 1 66 LYS H 1 67 THR HG1 4.800 . 4.800 3.679 3.105 4.787 . 0 0 "[ . 1 . 2]" 1
186 1 66 LYS H 1 67 THR H 2.900 . 2.900 2.029 1.945 2.185 . 0 0 "[ . 1 . 2]" 1
187 1 67 THR H 1 67 THR HG1 3.400 . 3.400 2.278 1.826 3.252 . 0 0 "[ . 1 . 2]" 1
188 1 67 THR H 1 70 ARG H 4.900 . 4.900 4.263 4.133 4.350 . 0 0 "[ . 1 . 2]" 1
189 1 66 LYS H 1 69 LEU H 4.900 . 5.900 5.551 5.262 5.882 . 0 0 "[ . 1 . 2]" 1
190 1 67 THR HG1 1 69 LEU H 3.400 . 3.400 2.730 1.892 3.103 . 0 0 "[ . 1 . 2]" 1
191 1 69 LEU H 1 70 ARG H 2.900 . 2.900 2.849 2.693 2.914 0.014 8 0 "[ . 1 . 2]" 1
192 1 69 LEU H 1 72 VAL H 5.500 . 5.500 5.087 5.024 5.209 . 0 0 "[ . 1 . 2]" 1
193 1 67 THR HG1 1 70 ARG H 4.800 . 4.800 4.488 4.280 4.693 . 0 0 "[ . 1 . 2]" 1
194 1 70 ARG H 1 72 VAL H 4.300 . 4.300 4.045 3.920 4.180 . 0 0 "[ . 1 . 2]" 1
195 1 70 ARG H 1 73 ALA H 4.900 . 4.900 4.776 4.697 4.963 0.063 11 0 "[ . 1 . 2]" 1
196 1 71 TYR H 1 72 VAL QG 4.800 . 4.800 3.754 3.676 3.834 . 0 0 "[ . 1 . 2]" 1
197 1 71 TYR H 1 72 VAL H 2.900 . 2.900 2.784 2.725 2.843 . 0 0 "[ . 1 . 2]" 1
198 1 71 TYR H 1 73 ALA H 4.300 . 4.800 4.695 4.560 4.821 0.021 5 0 "[ . 1 . 2]" 1
199 1 72 VAL H 1 73 ALA H 2.900 . 2.900 2.774 2.547 2.927 0.027 11 0 "[ . 1 . 2]" 1
200 1 72 VAL H 1 74 MET H 4.300 . 4.300 3.918 3.632 4.177 . 0 0 "[ . 1 . 2]" 1
201 1 72 VAL QG 1 73 ALA H 4.800 . 4.800 3.192 3.059 3.272 . 0 0 "[ . 1 . 2]" 1
202 1 73 ALA H 1 74 MET H 2.900 . 2.900 2.487 2.371 2.671 . 0 0 "[ . 1 . 2]" 1
203 1 73 ALA H 1 75 VAL H 4.300 . 4.300 3.879 3.760 3.984 . 0 0 "[ . 1 . 2]" 1
204 1 71 TYR H 1 74 MET H 4.900 . 4.900 4.791 4.710 4.958 0.058 4 0 "[ . 1 . 2]" 1
205 1 74 MET H 1 75 VAL H 2.900 . 2.900 2.663 2.599 2.721 . 0 0 "[ . 1 . 2]" 1
206 1 74 MET H 1 77 TRP H 5.500 . 5.500 4.833 4.662 5.005 . 0 0 "[ . 1 . 2]" 1
207 1 75 VAL H 1 75 VAL QG 3.400 . 3.400 2.345 2.126 2.772 . 0 0 "[ . 1 . 2]" 1
208 1 75 VAL H 1 76 ILE MD 5.400 . 5.400 5.047 3.376 5.430 0.030 17 0 "[ . 1 . 2]" 1
209 1 75 VAL H 1 77 TRP H 4.300 . 4.300 3.857 3.733 3.977 . 0 0 "[ . 1 . 2]" 1
210 1 75 VAL H 1 78 LEU H 5.500 . 5.500 4.780 4.675 4.914 . 0 0 "[ . 1 . 2]" 1
211 1 75 VAL QG 1 76 ILE H 4.800 . 4.800 2.789 1.851 3.213 . 0 0 "[ . 1 . 2]" 1
212 1 76 ILE H 1 76 ILE MD 4.800 . 4.800 3.334 1.791 3.659 0.009 4 0 "[ . 1 . 2]" 1
213 1 76 ILE H 1 77 TRP H 2.900 . 2.900 2.273 2.210 2.399 . 0 0 "[ . 1 . 2]" 1
214 1 76 ILE H 1 78 LEU H 4.300 . 4.300 4.195 3.965 4.309 0.009 12 0 "[ . 1 . 2]" 1
215 1 75 VAL QG 1 77 TRP H 4.800 . 4.800 4.345 3.768 4.633 . 0 0 "[ . 1 . 2]" 1
216 1 76 ILE MD 1 77 TRP H 4.800 . 4.800 4.416 2.599 4.788 . 0 0 "[ . 1 . 2]" 1
217 1 77 TRP H 1 78 LEU H 2.900 . 2.900 2.739 2.632 2.826 . 0 0 "[ . 1 . 2]" 1
218 1 77 TRP H 1 79 TYR H 4.300 . 4.300 4.103 3.994 4.303 0.003 20 0 "[ . 1 . 2]" 1
219 1 77 TRP H 1 80 SER H 4.900 . 4.900 4.890 4.760 4.942 0.042 1 0 "[ . 1 . 2]" 1
220 1 78 LEU H 1 79 TYR H 2.900 . 2.900 2.705 2.606 2.823 . 0 0 "[ . 1 . 2]" 1
221 1 78 LEU H 1 80 SER HG 6.000 . 6.000 4.741 4.460 4.950 . 0 0 "[ . 1 . 2]" 1
222 1 78 LEU H 1 80 SER H 4.300 . 4.300 4.248 4.123 4.314 0.014 14 0 "[ . 1 . 2]" 1
223 1 76 ILE H 1 79 TYR H 4.900 . 4.900 4.649 4.533 4.789 . 0 0 "[ . 1 . 2]" 1
224 1 79 TYR H 1 80 SER HG 4.800 . 4.800 4.614 4.249 4.811 0.011 16 0 "[ . 1 . 2]" 1
225 1 79 TYR H 1 80 SER H 2.900 . 2.900 2.914 2.855 2.957 0.057 20 0 "[ . 1 . 2]" 1
226 1 80 SER H 1 80 SER HG 3.400 . 3.400 2.246 1.851 2.506 . 0 0 "[ . 1 . 2]" 1
227 1 80 SER HG 1 81 ALA H 4.800 . 4.800 2.351 2.137 2.507 . 0 0 "[ . 1 . 2]" 1
228 1 81 ALA H 1 82 PHE H 2.900 . 2.900 2.920 2.895 2.955 0.055 15 0 "[ . 1 . 2]" 1
229 1 81 ALA H 1 84 GLY H 4.900 . 4.900 4.211 4.117 4.287 . 0 0 "[ . 1 . 2]" 1
230 1 80 SER HG 1 82 PHE H 5.400 . 5.400 5.211 4.983 5.362 . 0 0 "[ . 1 . 2]" 1
231 1 82 PHE H 1 84 GLY H 4.300 . 4.300 4.118 4.037 4.219 . 0 0 "[ . 1 . 2]" 1
232 1 82 PHE H 1 85 VAL H 4.900 . 4.900 4.731 4.647 4.901 0.001 18 0 "[ . 1 . 2]" 1
233 1 81 ALA H 1 83 ARG H 4.300 . 4.300 4.278 4.145 4.352 0.052 3 0 "[ . 1 . 2]" 1
234 1 83 ARG H 1 84 GLY H 2.900 . 2.900 2.741 2.598 2.833 . 0 0 "[ . 1 . 2]" 1
235 1 83 ARG H 1 85 VAL H 4.300 . 4.300 4.315 4.283 4.340 0.040 11 0 "[ . 1 . 2]" 1
236 1 84 GLY H 1 85 VAL H 2.900 . 2.900 2.779 2.664 2.861 . 0 0 "[ . 1 . 2]" 1
237 1 84 GLY H 1 85 VAL QG 5.400 . 5.400 4.150 3.577 4.347 . 0 0 "[ . 1 . 2]" 1
238 1 84 GLY H 1 87 LEU H 4.900 . 4.900 4.809 4.687 4.934 0.034 19 0 "[ . 1 . 2]" 1
239 1 81 ALA H 1 85 VAL H 5.500 . 5.500 5.390 5.202 5.545 0.045 17 0 "[ . 1 . 2]" 1
240 1 85 VAL H 1 86 GLN H 2.900 . 2.900 2.661 2.561 2.790 . 0 0 "[ . 1 . 2]" 1
241 1 85 VAL H 1 87 LEU H 4.300 . 4.300 3.963 3.791 4.229 . 0 0 "[ . 1 . 2]" 1
242 1 83 ARG H 1 86 GLN H 4.900 . 4.900 4.637 4.526 4.792 . 0 0 "[ . 1 . 2]" 1
243 1 84 GLY H 1 86 GLN H 4.900 . 4.900 4.232 4.036 4.489 . 0 0 "[ . 1 . 2]" 1
244 1 85 VAL QG 1 86 GLN H 5.400 . 5.400 2.901 1.790 3.263 0.010 11 0 "[ . 1 . 2]" 1
245 1 86 GLN H 1 87 LEU H 2.900 . 2.900 2.709 2.570 2.831 . 0 0 "[ . 1 . 2]" 1
246 1 86 GLN H 1 89 TYR H 5.500 . 5.500 5.160 4.947 5.334 . 0 0 "[ . 1 . 2]" 1
247 1 87 LEU H 1 88 THR HG1 4.800 . 4.800 4.378 4.051 4.803 0.003 13 0 "[ . 1 . 2]" 1
248 1 87 LEU H 1 88 THR H 2.900 . 2.900 2.443 2.275 2.722 . 0 0 "[ . 1 . 2]" 1
249 1 87 LEU H 1 89 TYR H 4.300 . 4.300 4.003 3.789 4.312 0.012 20 0 "[ . 1 . 2]" 1
250 1 86 GLN H 1 88 THR H 4.300 . 4.300 4.268 4.012 4.330 0.030 1 0 "[ . 1 . 2]" 1
251 1 88 THR H 1 88 THR HG1 4.800 . 4.800 2.659 2.349 3.023 . 0 0 "[ . 1 . 2]" 1
252 1 88 THR H 1 89 TYR H 2.900 . 2.900 2.773 2.661 2.933 0.033 5 0 "[ . 1 . 2]" 1
253 1 88 THR HG1 1 89 TYR H 4.800 . 4.800 1.972 1.798 2.178 0.002 13 0 "[ . 1 . 2]" 1
254 1 89 TYR H 1 90 GLU H 2.900 . 2.900 2.662 2.524 2.880 . 0 0 "[ . 1 . 2]" 1
255 1 88 THR HG1 1 90 GLU H 4.800 . 4.800 4.566 4.424 4.711 . 0 0 "[ . 1 . 2]" 1
256 1 88 THR H 1 90 GLU H 5.500 . 5.500 4.344 3.967 4.526 . 0 0 "[ . 1 . 2]" 1
257 1 90 GLU H 1 91 HIS H 2.900 . 2.900 2.678 2.458 2.904 0.004 15 0 "[ . 1 . 2]" 1
258 1 90 GLU H 1 92 THR HG1 6.000 . 6.000 4.632 4.167 5.309 . 0 0 "[ . 1 . 2]" 1
259 1 90 GLU H 1 92 THR H 4.900 . 4.900 4.261 3.978 4.550 . 0 0 "[ . 1 . 2]" 1
260 1 89 TYR H 1 91 HIS H 4.300 . 4.300 4.102 3.906 4.315 0.015 5 0 "[ . 1 . 2]" 1
261 1 91 HIS H 1 92 THR HG1 4.800 . 4.800 4.234 3.716 4.802 0.002 3 0 "[ . 1 . 2]" 1
262 1 91 HIS H 1 92 THR H 2.900 . 2.900 2.625 2.513 2.763 . 0 0 "[ . 1 . 2]" 1
263 1 92 THR H 1 92 THR HG1 3.400 . 3.400 2.284 1.798 2.945 0.002 1 0 "[ . 1 . 2]" 1
264 1 92 THR H 1 93 MET H 2.900 . 2.900 2.672 2.495 2.903 0.003 2 0 "[ . 1 . 2]" 1
265 1 92 THR H 1 94 LEU H 4.300 . 4.300 4.262 4.014 4.317 0.017 4 0 "[ . 1 . 2]" 1
266 1 91 HIS H 1 93 MET H 4.300 . 4.300 4.128 3.976 4.301 0.001 3 0 "[ . 1 . 2]" 1
267 1 92 THR HG1 1 93 MET H 4.800 . 4.800 2.096 1.771 2.945 0.029 18 0 "[ . 1 . 2]" 1
268 1 93 MET H 1 94 LEU H 2.900 . 2.900 2.851 2.672 2.930 0.030 10 0 "[ . 1 . 2]" 1
269 1 93 MET H 1 95 GLN H 4.300 . 4.300 4.271 4.048 4.363 0.063 7 0 "[ . 1 . 2]" 1
270 1 92 THR HG1 1 94 LEU H 5.400 . 5.400 4.765 4.395 5.388 . 0 0 "[ . 1 . 2]" 1
271 1 94 LEU H 1 94 LEU QD 4.800 . 4.800 3.372 2.217 3.761 . 0 0 "[ . 1 . 2]" 1
272 1 94 LEU H 1 95 GLN H 2.900 . 2.900 2.696 2.538 2.834 . 0 0 "[ . 1 . 2]" 1
273 1 95 GLN H 1 96 LEU H 2.900 . 2.900 2.744 2.526 2.887 . 0 0 "[ . 1 . 2]" 1
274 1 95 GLN H 1 97 TYR H 4.300 . 4.300 3.738 3.525 3.845 . 0 0 "[ . 1 . 2]" 1
275 1 106 PHE H 1 107 MET H 4.900 . 4.900 3.689 1.843 4.600 . 0 0 "[ . 1 . 2]" 1
276 1 107 MET H 1 108 VAL H 4.900 . 4.900 3.973 1.824 4.652 . 0 0 "[ . 1 . 2]" 1
277 1 108 VAL H 1 108 VAL QG 3.400 . 3.400 2.175 1.776 2.997 0.024 17 0 "[ . 1 . 2]" 1
278 1 108 VAL H 1 109 ARG H 4.900 . 4.900 3.873 2.771 4.623 . 0 0 "[ . 1 . 2]" 1
279 1 108 VAL QG 1 109 ARG H 5.400 . 5.400 3.077 1.973 3.636 . 0 0 "[ . 1 . 2]" 1
280 1 109 ARG H 1 110 PHE H 4.300 . 4.300 4.165 3.732 4.317 0.017 16 0 "[ . 1 . 2]" 1
281 1 108 VAL QG 1 110 PHE H 4.800 . 4.800 4.111 3.336 4.804 0.004 6 0 "[ . 1 . 2]" 1
282 1 112 GLU H 1 113 TRP H 5.500 . 5.500 2.389 2.088 2.786 . 0 0 "[ . 1 . 2]" 1
283 1 113 TRP H 1 113 TRP HE1 6.000 . 6.000 4.258 3.622 6.005 0.005 20 0 "[ . 1 . 2]" 1
284 1 113 TRP H 1 114 LEU H 2.500 . 2.500 2.228 1.847 2.495 . 0 0 "[ . 1 . 2]" 1
285 1 112 GLU H 1 114 LEU H 5.500 . 5.500 4.097 3.065 4.589 . 0 0 "[ . 1 . 2]" 1
286 1 114 LEU H 1 118 LYS H 5.500 . 5.500 5.566 5.521 5.628 0.128 3 0 "[ . 1 . 2]" 1
287 1 114 LEU QD 1 116 LEU H 6.000 . 6.000 3.466 1.838 4.079 . 0 0 "[ . 1 . 2]" 1
288 1 116 LEU H 1 116 LEU QD 4.800 . 4.800 3.075 1.787 3.758 0.013 11 0 "[ . 1 . 2]" 1
289 1 116 LEU H 1 117 ASP H 2.900 . 2.900 2.497 2.330 2.666 . 0 0 "[ . 1 . 2]" 1
290 1 116 LEU H 1 118 LYS H 4.300 . 4.300 3.926 3.738 4.131 . 0 0 "[ . 1 . 2]" 1
291 1 116 LEU H 1 120 VAL H 5.500 . 5.500 5.608 5.531 5.650 0.150 1 0 "[ . 1 . 2]" 1
292 1 117 ASP H 1 118 LYS H 2.900 . 2.900 2.189 2.142 2.255 . 0 0 "[ . 1 . 2]" 1
293 1 117 ASP H 1 120 VAL H 4.300 . 4.300 4.235 4.106 4.348 0.048 16 0 "[ . 1 . 2]" 1
294 1 118 LYS H 1 119 TRP H 2.900 . 2.900 2.604 2.528 2.674 . 0 0 "[ . 1 . 2]" 1
295 1 118 LYS H 1 120 VAL H 4.300 . 4.300 3.652 3.608 3.716 . 0 0 "[ . 1 . 2]" 1
296 1 118 LYS H 1 120 VAL QG 5.400 . 5.400 4.966 4.456 5.367 . 0 0 "[ . 1 . 2]" 1
297 1 117 ASP H 1 119 TRP H 4.300 . 4.300 3.716 3.544 3.810 . 0 0 "[ . 1 . 2]" 1
298 1 119 TRP H 1 120 VAL H 2.900 . 2.900 2.421 2.144 2.554 . 0 0 "[ . 1 . 2]" 1
299 1 119 TRP H 1 120 VAL QG 4.800 . 4.800 3.645 3.518 3.754 . 0 0 "[ . 1 . 2]" 1
300 1 120 VAL H 1 120 VAL QG 3.400 . 3.400 2.549 2.210 2.692 . 0 0 "[ . 1 . 2]" 1
301 1 120 VAL QG 1 122 GLN H 4.800 . 4.800 3.054 2.446 3.450 . 0 0 "[ . 1 . 2]" 1
302 1 122 GLN H 1 122 GLN QE 4.800 . 4.800 3.861 2.860 4.727 . 0 0 "[ . 1 . 2]" 1
303 1 122 GLN H 1 123 VAL QG 4.800 . 4.800 3.978 3.393 4.341 . 0 0 "[ . 1 . 2]" 1
304 1 122 GLN H 1 125 VAL H 4.900 . 4.900 4.935 4.872 5.014 0.114 9 0 "[ . 1 . 2]" 1
305 1 125 VAL H 1 126 ALA H 4.900 . 4.900 4.563 4.526 4.581 . 0 0 "[ . 1 . 2]" 1
306 1 125 VAL QG 1 126 ALA H 3.400 . 3.400 2.700 2.417 3.524 0.124 14 0 "[ . 1 . 2]" 1
307 1 126 ALA H 1 127 SER H 4.900 . 4.900 4.578 4.558 4.590 . 0 0 "[ . 1 . 2]" 1
308 1 127 SER H 1 128 GLY H 4.300 . 4.300 3.687 3.478 4.248 . 0 0 "[ . 1 . 2]" 1
309 1 130 CYS H 1 131 ALA H 5.500 . 5.500 4.459 4.345 4.523 . 0 0 "[ . 1 . 2]" 1
310 1 131 ALA H 1 132 GLU H 2.500 . 2.500 2.425 2.280 2.504 0.004 8 0 "[ . 1 . 2]" 1
311 1 134 GLN H 1 135 TRP H 4.900 . 4.900 1.840 1.748 2.043 0.052 20 0 "[ . 1 . 2]" 1
312 1 135 TRP HE1 1 136 ASP H 6.000 . 6.000 4.650 3.771 5.976 . 0 0 "[ . 1 . 2]" 1
313 1 135 TRP H 1 136 ASP H 5.500 . 5.500 4.150 3.886 4.432 . 0 0 "[ . 1 . 2]" 1
314 1 136 ASP H 1 137 PHE H 4.900 . 4.900 4.412 4.134 4.523 . 0 0 "[ . 1 . 2]" 1
315 1 137 PHE H 1 138 LEU H 4.900 . 4.900 4.339 3.956 4.464 . 0 0 "[ . 1 . 2]" 1
316 1 137 PHE H 1 139 GLY H 4.300 . 4.300 3.660 3.412 3.762 . 0 0 "[ . 1 . 2]" 1
317 1 137 PHE H 1 140 LEU H 2.900 . 2.900 2.650 2.499 2.822 . 0 0 "[ . 1 . 2]" 1
318 1 137 PHE H 1 141 GLU H 4.900 . 4.900 4.875 4.780 4.915 0.015 10 0 "[ . 1 . 2]" 1
319 1 138 LEU H 1 138 LEU QD 4.800 . 4.800 3.004 2.092 3.997 . 0 0 "[ . 1 . 2]" 1
320 1 138 LEU H 1 139 GLY H 2.900 . 2.900 2.670 2.271 2.825 . 0 0 "[ . 1 . 2]" 1
321 1 138 LEU H 1 140 LEU H 4.300 . 4.300 4.185 3.899 4.301 0.001 9 0 "[ . 1 . 2]" 1
322 1 138 LEU QD 1 139 GLY H 6.000 . 6.000 4.214 3.899 4.524 . 0 0 "[ . 1 . 2]" 1
323 1 139 GLY H 1 140 LEU H 2.900 . 2.900 2.337 2.292 2.430 . 0 0 "[ . 1 . 2]" 1
324 1 140 LEU H 1 141 GLU H 4.900 . 4.900 4.408 4.380 4.475 . 0 0 "[ . 1 . 2]" 1
325 1 140 LEU QD 1 141 GLU H 5.400 . 5.400 3.494 2.662 3.981 . 0 0 "[ . 1 . 2]" 1
326 1 141 GLU H 1 142 MET H 5.500 . 5.500 4.628 4.618 4.640 . 0 0 "[ . 1 . 2]" 1
327 1 141 GLU H 1 144 GLN H 4.300 . 4.300 4.309 4.099 4.354 0.054 9 0 "[ . 1 . 2]" 1
328 1 142 MET H 1 144 GLN H 4.900 . 4.900 4.330 4.129 4.388 . 0 0 "[ . 1 . 2]" 1
329 1 144 GLN H 1 146 LEU H 4.300 . 4.300 4.260 4.087 4.324 0.024 8 0 "[ . 1 . 2]" 1
330 1 145 TRP H 1 146 LEU H 2.900 . 2.900 2.831 2.752 2.900 0.000 16 0 "[ . 1 . 2]" 1
331 1 146 LEU H 1 148 GLY H 4.900 . 4.900 4.116 4.065 4.180 . 0 0 "[ . 1 . 2]" 1
332 1 146 LEU H 1 149 ILE MD 4.800 . 4.800 4.174 3.678 4.849 0.049 9 0 "[ . 1 . 2]" 1
333 1 145 TRP H 1 147 LEU H 4.300 . 4.300 4.030 3.918 4.166 . 0 0 "[ . 1 . 2]" 1
334 1 147 LEU H 1 148 GLY H 2.900 . 2.900 2.562 2.480 2.636 . 0 0 "[ . 1 . 2]" 1
335 1 147 LEU H 1 149 ILE H 4.300 . 4.300 4.209 4.122 4.309 0.009 10 0 "[ . 1 . 2]" 1
336 1 148 GLY H 1 149 ILE H 2.900 . 2.900 2.722 2.685 2.750 . 0 0 "[ . 1 . 2]" 1
337 1 148 GLY H 1 149 ILE MD 4.800 . 4.800 4.297 3.391 4.847 0.047 20 0 "[ . 1 . 2]" 1
338 1 148 GLY H 1 150 PHE H 4.300 . 4.300 3.901 3.722 4.221 . 0 0 "[ . 1 . 2]" 1
339 1 148 GLY H 1 151 ILE H 5.500 . 5.500 4.968 4.829 5.082 . 0 0 "[ . 1 . 2]" 1
340 1 149 ILE H 1 149 ILE MD 4.800 . 4.800 2.657 1.761 3.243 0.039 6 0 "[ . 1 . 2]" 1
341 1 149 ILE H 1 150 PHE H 2.900 . 2.900 2.451 2.335 2.588 . 0 0 "[ . 1 . 2]" 1
342 1 149 ILE H 1 151 ILE H 4.300 . 4.300 4.277 4.137 4.338 0.038 17 0 "[ . 1 . 2]" 1
343 1 147 LEU H 1 150 PHE H 5.500 . 5.500 4.603 4.450 4.814 . 0 0 "[ . 1 . 2]" 1
344 1 149 ILE MD 1 150 PHE H 4.800 . 4.800 4.209 3.690 4.607 . 0 0 "[ . 1 . 2]" 1
345 1 150 PHE H 1 151 ILE H 2.900 . 2.900 2.733 2.634 2.844 . 0 0 "[ . 1 . 2]" 1
346 1 151 ILE H 1 151 ILE MD 4.800 . 4.800 3.549 2.405 4.335 . 0 0 "[ . 1 . 2]" 1
347 1 151 ILE H 1 152 ALA H 2.900 . 2.900 2.635 2.459 2.767 . 0 0 "[ . 1 . 2]" 1
348 1 151 ILE H 1 153 TYR H 4.300 . 4.300 4.324 4.297 4.409 0.109 18 0 "[ . 1 . 2]" 1
349 1 150 PHE H 1 152 ALA H 4.300 . 4.300 4.116 3.908 4.312 0.012 4 0 "[ . 1 . 2]" 1
350 1 151 ILE MD 1 152 ALA H 4.800 . 4.800 4.303 3.692 4.821 0.021 18 0 "[ . 1 . 2]" 1
351 1 152 ALA H 1 153 TYR H 2.900 . 2.900 2.839 2.748 2.915 0.015 16 0 "[ . 1 . 2]" 1
352 1 152 ALA H 1 154 LEU H 4.300 . 4.300 4.209 4.041 4.341 0.041 16 0 "[ . 1 . 2]" 1
353 1 150 PHE H 1 153 TYR H 5.500 . 5.500 4.916 4.736 5.056 . 0 0 "[ . 1 . 2]" 1
354 1 153 TYR H 1 154 LEU H 2.900 . 2.900 2.735 2.635 2.882 . 0 0 "[ . 1 . 2]" 1
355 1 154 LEU H 1 155 ILE H 2.900 . 2.900 2.658 2.513 2.860 . 0 0 "[ . 1 . 2]" 1
356 1 154 LEU H 1 155 ILE MD 4.800 . 4.800 4.642 3.795 4.844 0.044 3 0 "[ . 1 . 2]" 1
357 1 154 LEU H 1 157 ALA H 5.500 . 5.500 5.072 4.926 5.268 . 0 0 "[ . 1 . 2]" 1
358 1 155 ILE H 1 155 ILE MD 4.800 . 4.800 3.082 2.281 3.397 . 0 0 "[ . 1 . 2]" 1
359 1 155 ILE H 1 156 VAL H 2.900 . 2.900 2.476 2.353 2.764 . 0 0 "[ . 1 . 2]" 1
360 1 155 ILE H 1 156 VAL QG 4.800 . 4.800 3.874 3.400 4.205 . 0 0 "[ . 1 . 2]" 1
361 1 155 ILE H 1 157 ALA H 4.300 . 4.300 4.124 3.958 4.285 . 0 0 "[ . 1 . 2]" 1
362 1 155 ILE H 1 158 VAL H 5.500 . 5.500 4.903 4.716 5.085 . 0 0 "[ . 1 . 2]" 1
363 1 154 LEU H 1 156 VAL H 4.300 . 4.300 4.136 3.944 4.320 0.020 13 0 "[ . 1 . 2]" 1
364 1 155 ILE MD 1 156 VAL H 4.800 . 4.800 4.319 2.178 4.685 . 0 0 "[ . 1 . 2]" 1
365 1 156 VAL H 1 156 VAL QG 3.400 . 3.400 2.197 1.788 2.539 0.012 14 0 "[ . 1 . 2]" 1
366 1 156 VAL H 1 157 ALA H 2.900 . 2.900 2.653 2.453 2.837 . 0 0 "[ . 1 . 2]" 1
367 1 157 ALA H 1 158 VAL H 2.900 . 2.900 2.615 2.445 2.873 . 0 0 "[ . 1 . 2]" 1
368 1 156 VAL H 1 158 VAL H 4.300 . 4.300 4.282 4.002 4.366 0.066 18 0 "[ . 1 . 2]" 1
369 1 158 VAL H 1 158 VAL QG 3.400 . 3.400 2.038 1.761 2.530 0.039 16 0 "[ . 1 . 2]" 1
370 1 158 VAL H 1 159 LEU H 2.900 . 2.900 2.757 2.511 2.919 0.019 8 0 "[ . 1 . 2]" 1
371 1 158 VAL H 1 160 VAL H 4.300 . 4.300 4.116 3.864 4.324 0.024 19 0 "[ . 1 . 2]" 1
372 1 157 ALA H 1 159 LEU H 4.300 . 4.300 4.090 3.834 4.318 0.018 13 0 "[ . 1 . 2]" 1
373 1 159 LEU H 1 160 VAL H 2.900 . 2.900 2.486 2.363 2.645 . 0 0 "[ . 1 . 2]" 1
374 1 159 LEU H 1 160 VAL QG 4.800 . 4.800 3.987 3.334 4.363 . 0 0 "[ . 1 . 2]" 1
375 1 160 VAL H 1 160 VAL QG 3.400 . 3.400 2.327 1.777 2.549 0.023 5 0 "[ . 1 . 2]" 1
376 1 159 LEU H 1 161 VAL H 4.300 . 4.300 3.942 3.694 4.316 0.016 14 0 "[ . 1 . 2]" 1
377 1 161 VAL H 1 161 VAL QG 3.400 . 3.400 2.306 1.775 2.566 0.025 12 0 "[ . 1 . 2]" 1
378 1 161 VAL H 1 162 ILE MD 4.800 . 4.800 4.594 3.580 4.845 0.045 9 0 "[ . 1 . 2]" 1
379 1 161 VAL H 1 163 SER HG 6.000 . 6.000 4.471 3.642 5.272 . 0 0 "[ . 1 . 2]" 1
380 1 161 VAL H 1 163 SER H 4.300 . 4.300 3.606 3.427 3.799 . 0 0 "[ . 1 . 2]" 1
381 1 161 VAL QG 1 162 ILE H 4.800 . 4.800 2.690 1.780 3.100 0.020 13 0 "[ . 1 . 2]" 1
382 1 162 ILE H 1 162 ILE MD 4.800 . 4.800 2.946 1.898 3.457 . 0 0 "[ . 1 . 2]" 1
383 1 162 ILE H 1 163 SER HG 4.800 . 4.800 4.369 3.751 4.787 . 0 0 "[ . 1 . 2]" 1
384 1 162 ILE H 1 163 SER H 2.900 . 2.900 2.565 2.451 2.681 . 0 0 "[ . 1 . 2]" 1
385 1 160 VAL QG 1 163 SER H 5.400 . 5.400 4.341 4.122 4.492 . 0 0 "[ . 1 . 2]" 1
386 1 162 ILE MD 1 163 SER H 5.400 . 5.400 4.353 2.625 5.011 . 0 0 "[ . 1 . 2]" 1
387 1 163 SER H 1 163 SER HG 4.800 . 4.800 2.353 1.807 2.751 . 0 0 "[ . 1 . 2]" 1
388 1 163 SER HG 1 164 GLN H 4.800 . 4.800 3.677 2.044 4.650 . 0 0 "[ . 1 . 2]" 1
389 1 164 GLN H 1 166 PHE H 4.900 . 4.900 4.700 4.005 4.971 0.071 10 0 "[ . 1 . 2]" 1
390 1 16 LEU H 1 18 MET H 4.300 . 4.300 4.090 4.016 4.299 . 0 0 "[ . 1 . 2]" 1
391 1 22 ALA H 1 25 LEU H 5.500 . 5.500 5.185 5.026 5.293 . 0 0 "[ . 1 . 2]" 1
392 1 27 LEU H 1 30 LEU H 5.500 . 5.500 4.474 4.382 4.579 . 0 0 "[ . 1 . 2]" 1
393 1 30 LEU H 1 33 GLN H 5.500 . 5.500 5.246 5.103 5.387 . 0 0 "[ . 1 . 2]" 1
394 1 55 LEU H 1 57 ALA H 4.300 . 4.300 3.963 3.702 4.286 . 0 0 "[ . 1 . 2]" 1
395 1 55 LEU H 1 58 ALA H 5.500 . 5.500 4.793 4.509 4.912 . 0 0 "[ . 1 . 2]" 1
396 1 58 ALA H 1 60 ILE H 4.300 . 4.300 4.122 3.913 4.301 0.001 16 0 "[ . 1 . 2]" 1
397 1 58 ALA H 1 61 GLY H 5.500 . 5.500 4.673 4.522 4.738 . 0 0 "[ . 1 . 2]" 1
398 1 67 THR H 1 69 LEU H 4.300 . 4.300 3.746 3.452 4.007 . 0 0 "[ . 1 . 2]" 1
399 1 66 LYS H 1 70 ARG H 5.500 . 5.500 5.556 5.536 5.586 0.086 3 0 "[ . 1 . 2]" 1
400 1 70 ARG H 1 71 TYR H 4.300 . 4.300 3.318 3.170 3.367 . 0 0 "[ . 1 . 2]" 1
401 1 75 VAL H 1 76 ILE H 2.900 . 2.900 2.668 2.582 2.799 . 0 0 "[ . 1 . 2]" 1
402 1 74 MET H 1 76 ILE H 5.500 . 5.500 4.592 4.248 4.771 . 0 0 "[ . 1 . 2]" 1
403 1 79 TYR H 1 81 ALA H 4.300 . 4.300 3.933 3.885 3.971 . 0 0 "[ . 1 . 2]" 1
404 1 80 SER H 1 81 ALA H 4.300 . 4.300 2.418 2.377 2.473 . 0 0 "[ . 1 . 2]" 1
405 1 80 SER H 1 82 PHE H 5.500 . 5.500 4.748 4.674 4.831 . 0 0 "[ . 1 . 2]" 1
406 1 82 PHE H 1 83 ARG H 2.900 . 2.900 2.675 2.563 2.741 . 0 0 "[ . 1 . 2]" 1
407 1 80 SER H 1 83 ARG H 5.500 . 5.500 5.088 4.970 5.190 . 0 0 "[ . 1 . 2]" 1
408 1 88 THR H 1 91 HIS H 5.500 . 5.500 5.026 4.858 5.160 . 0 0 "[ . 1 . 2]" 1
409 1 92 THR H 1 95 GLN H 5.500 . 5.500 4.767 4.511 4.947 . 0 0 "[ . 1 . 2]" 1
410 1 94 LEU H 1 97 TYR H 4.300 . 4.300 4.310 4.220 4.403 0.103 3 0 "[ . 1 . 2]" 1
411 1 96 LEU H 1 97 TYR H 2.900 . 2.900 2.245 2.108 2.367 . 0 0 "[ . 1 . 2]" 1
412 1 113 TRP HE1 1 114 LEU H 6.000 . 6.000 5.450 4.199 6.020 0.020 14 0 "[ . 1 . 2]" 1
413 1 116 LEU H 1 119 TRP H 5.500 . 5.500 4.444 4.344 4.750 . 0 0 "[ . 1 . 2]" 1
414 1 122 GLN H 1 123 VAL H 2.900 . 2.900 2.805 2.510 2.923 0.023 16 0 "[ . 1 . 2]" 1
415 1 124 PHE H 1 125 VAL H 2.900 . 2.900 1.893 1.777 1.994 0.023 19 0 "[ . 1 . 2]" 1
416 1 128 GLY H 1 129 ASP H 5.500 . 5.500 4.441 4.389 4.586 . 0 0 "[ . 1 . 2]" 1
417 1 144 GLN H 1 145 TRP H 2.900 . 2.900 2.613 2.487 2.733 . 0 0 "[ . 1 . 2]" 1
418 1 144 GLN H 1 147 LEU H 5.500 . 5.500 4.700 4.502 4.877 . 0 0 "[ . 1 . 2]" 1
419 1 146 LEU H 1 147 LEU H 4.300 . 4.300 2.881 2.852 2.925 . 0 0 "[ . 1 . 2]" 1
420 1 149 ILE H 1 152 ALA H 5.500 . 5.500 4.877 4.752 5.059 . 0 0 "[ . 1 . 2]" 1
421 1 153 TYR H 1 155 ILE H 4.300 . 4.300 4.088 3.978 4.357 0.057 19 0 "[ . 1 . 2]" 1
422 1 151 ILE H 1 154 LEU H 5.500 . 5.500 4.822 4.573 5.063 . 0 0 "[ . 1 . 2]" 1
423 1 160 VAL H 1 161 VAL H 4.300 . 4.300 2.525 2.414 2.681 . 0 0 "[ . 1 . 2]" 1
424 1 160 VAL H 1 163 SER H 5.500 . 5.500 4.719 4.611 4.946 . 0 0 "[ . 1 . 2]" 1
425 1 158 VAL H 1 161 VAL H 5.500 . 5.500 4.779 4.654 5.108 . 0 0 "[ . 1 . 2]" 1
426 1 161 VAL H 1 162 ILE H 4.300 . 4.300 2.509 2.387 2.638 . 0 0 "[ . 1 . 2]" 1
427 1 160 VAL H 1 162 ILE H 4.300 . 4.300 4.290 4.111 4.339 0.039 9 0 "[ . 1 . 2]" 1
428 1 162 ILE H 1 164 GLN H 5.500 . 5.500 4.378 4.079 4.850 . 0 0 "[ . 1 . 2]" 1
429 1 163 SER H 1 164 GLN H 4.300 . 4.300 2.737 2.498 2.833 . 0 0 "[ . 1 . 2]" 1
430 1 129 ASP H 1 132 GLU H 5.500 . 5.500 5.533 5.517 5.550 0.050 20 0 "[ . 1 . 2]" 1
431 1 158 VAL H 1 161 VAL QG 4.800 . 4.800 4.394 4.073 4.558 . 0 0 "[ . 1 . 2]" 1
432 1 158 VAL MG1 1 159 LEU H 6.000 . 6.000 3.446 1.970 3.976 . 0 0 "[ . 1 . 2]" 1
433 1 158 VAL MG2 1 159 LEU H 6.000 . 6.000 3.273 1.795 4.042 0.005 8 0 "[ . 1 . 2]" 1
434 1 156 VAL QG 1 160 VAL QG 4.800 . 4.800 2.358 2.107 3.170 . 0 0 "[ . 1 . 2]" 1
435 1 33 GLN HE21 1 39 LYS H 3.400 . 3.400 2.940 2.277 3.432 0.032 20 0 "[ . 1 . 2]" 1
436 1 33 GLN HE22 1 39 LYS H 3.400 . 3.400 2.833 1.795 3.416 0.016 6 0 "[ . 1 . 2]" 1
437 1 74 MET H 1 75 VAL QG 4.800 . 4.800 4.093 3.861 4.564 . 0 0 "[ . 1 . 2]" 1
438 1 54 VAL QG 1 80 SER H 5.400 . 5.400 3.901 3.668 4.593 . 0 0 "[ . 1 . 2]" 1
439 1 54 VAL QG 1 81 ALA H 4.800 . 4.800 3.694 2.760 4.161 . 0 0 "[ . 1 . 2]" 1
440 1 45 ILE MD 1 123 VAL H 6.000 . 6.000 3.752 2.590 5.089 . 0 0 "[ . 1 . 2]" 1
441 1 120 VAL QG 1 123 VAL H 4.800 . 4.800 2.629 2.380 3.080 . 0 0 "[ . 1 . 2]" 1
442 1 122 GLN QE 1 123 VAL H 5.400 . 5.400 4.793 3.647 5.416 0.016 14 0 "[ . 1 . 2]" 1
443 1 122 GLN H 1 123 VAL H 2.900 . 2.900 2.780 2.495 2.894 . 0 0 "[ . 1 . 2]" 1
444 1 123 VAL H 1 125 VAL H 2.900 . 2.900 1.890 1.775 1.992 0.025 19 0 "[ . 1 . 2]" 1
445 1 6 ASN QD 1 166 PHE H 4.800 . 4.800 4.206 2.893 4.821 0.021 2 0 "[ . 1 . 2]" 1
446 1 95 GLN QE 1 141 GLU H 4.800 . 4.800 3.641 2.285 4.695 . 0 0 "[ . 1 . 2]" 1
447 1 95 GLN QE 1 144 GLN H 6.000 . 6.000 3.872 2.949 4.443 . 0 0 "[ . 1 . 2]" 1
448 1 95 GLN QE 1 145 TRP H 6.000 . 6.000 4.905 2.981 5.682 . 0 0 "[ . 1 . 2]" 1
449 1 11 GLY H 1 15 TRP HE1 4.900 . 4.900 4.330 3.979 4.623 . 0 0 "[ . 1 . 2]" 1
450 1 10 GLN H 1 15 TRP HE1 4.900 . 4.900 4.897 4.762 4.925 0.025 13 0 "[ . 1 . 2]" 1
451 1 23 LEU H 1 55 LEU QD 4.800 . 4.800 3.225 2.805 3.737 . 0 0 "[ . 1 . 2]" 1
452 1 20 PHE H 1 153 TYR HH 6.000 . 6.000 5.975 5.810 6.039 0.039 17 0 "[ . 1 . 2]" 1
453 1 21 THR H 1 153 TYR HH 4.800 . 4.800 4.656 4.254 4.818 0.018 20 0 "[ . 1 . 2]" 1
454 1 22 ALA H 1 153 TYR HH 4.800 . 4.800 2.965 1.915 3.658 . 0 0 "[ . 1 . 2]" 1
455 1 60 ILE MD 1 76 ILE MD 6.500 . 6.500 3.972 2.237 6.494 . 0 0 "[ . 1 . 2]" 1
456 1 54 VAL MG1 1 77 TRP HE1 5.400 . 5.400 4.861 4.420 5.366 . 0 0 "[ . 1 . 2]" 1
457 1 54 VAL MG2 1 77 TRP HE1 5.400 . 5.400 5.329 4.866 5.459 0.059 20 0 "[ . 1 . 2]" 1
458 1 43 LEU QD 1 91 HIS H 5.400 . 5.400 4.008 2.910 4.831 . 0 0 "[ . 1 . 2]" 1
459 1 77 TRP HE1 1 153 TYR H 5.500 . 5.500 5.437 5.186 5.581 0.081 10 0 "[ . 1 . 2]" 1
460 1 77 TRP HE1 1 154 LEU QD 5.400 . 5.400 3.667 2.589 4.903 . 0 0 "[ . 1 . 2]" 1
461 1 77 TRP HE1 1 154 LEU H 5.500 . 5.500 3.624 3.428 3.807 . 0 0 "[ . 1 . 2]" 1
462 1 77 TRP HE1 1 155 ILE H 4.300 . 4.300 4.379 4.328 4.413 0.113 7 0 "[ . 1 . 2]" 1
463 1 77 TRP HE1 1 156 VAL H 4.300 . 4.300 4.186 3.922 4.340 0.040 1 0 "[ . 1 . 2]" 1
464 1 77 TRP HE1 1 157 ALA H 2.900 . 2.900 2.950 2.909 3.025 0.125 20 0 "[ . 1 . 2]" 1
465 1 77 TRP HE1 1 158 VAL H 4.900 . 4.900 4.471 3.872 4.851 . 0 0 "[ . 1 . 2]" 1
466 1 82 PHE H 1 154 LEU QD 4.800 . 4.800 4.233 4.000 4.777 . 0 0 "[ . 1 . 2]" 1
467 1 85 VAL QG 1 151 ILE H 4.800 . 4.800 4.495 4.214 4.828 0.028 17 0 "[ . 1 . 2]" 1
468 1 85 VAL QG 1 152 ALA H 6.000 . 6.000 6.049 5.988 6.118 0.118 8 0 "[ . 1 . 2]" 1
469 1 85 VAL QG 1 154 LEU H 5.400 . 5.400 5.220 4.851 5.442 0.042 15 0 "[ . 1 . 2]" 1
470 1 45 ILE MD 1 125 VAL H 4.300 . 4.300 4.103 3.495 4.318 0.018 16 0 "[ . 1 . 2]" 1
471 1 45 ILE MD 1 126 ALA H 5.400 . 5.400 3.977 2.759 5.075 . 0 0 "[ . 1 . 2]" 1
472 1 45 ILE MD 1 127 SER H 6.000 . 6.000 4.098 3.404 5.226 . 0 0 "[ . 1 . 2]" 1
473 1 42 VAL H 1 127 SER H 4.900 . 4.900 4.610 4.143 4.884 . 0 0 "[ . 1 . 2]" 1
474 1 42 VAL QG 1 107 MET H 5.400 . 5.400 4.470 2.493 5.405 0.005 17 0 "[ . 1 . 2]" 1
475 1 42 VAL QG 1 108 VAL H 4.800 . 4.800 3.771 2.883 4.564 . 0 0 "[ . 1 . 2]" 1
476 1 94 LEU QD 1 99 SER H 6.000 . 6.000 3.761 1.845 5.915 . 0 0 "[ . 1 . 2]" 1
477 1 94 LEU QD 1 131 ALA H 6.000 . 6.000 5.527 4.705 6.028 0.028 6 0 "[ . 1 . 2]" 1
478 1 114 LEU QD 1 116 LEU QD 5.300 . 5.300 2.721 2.008 3.546 . 0 0 "[ . 1 . 2]" 1
479 1 120 VAL QG 1 123 VAL QG 3.900 . 3.900 2.418 1.909 3.053 . 0 0 "[ . 1 . 2]" 1
480 1 108 VAL MG1 1 126 ALA H 5.400 . 5.400 3.859 1.944 5.409 0.009 7 0 "[ . 1 . 2]" 1
481 1 108 VAL MG2 1 126 ALA H 5.400 . 5.400 3.603 1.939 5.399 . 0 0 "[ . 1 . 2]" 1
482 1 108 VAL H 1 126 ALA H 4.300 . 4.300 4.099 3.269 4.331 0.031 15 0 "[ . 1 . 2]" 1
483 1 137 PHE H 1 145 TRP HE1 2.900 . 2.900 2.645 2.329 2.927 0.027 14 0 "[ . 1 . 2]" 1
484 1 138 LEU H 1 145 TRP HE1 4.900 . 4.900 4.889 4.671 5.038 0.138 11 0 "[ . 1 . 2]" 1
485 1 139 GLY H 1 145 TRP HE1 4.900 . 4.900 4.577 4.420 4.722 . 0 0 "[ . 1 . 2]" 1
486 1 140 LEU H 1 145 TRP HE1 2.900 . 2.900 2.924 2.822 3.009 0.109 13 0 "[ . 1 . 2]" 1
487 1 140 LEU MD1 1 145 TRP HE1 6.000 . 6.000 3.732 3.103 4.439 . 0 0 "[ . 1 . 2]" 1
488 1 140 LEU MD2 1 145 TRP HE1 6.000 . 6.000 4.019 3.360 4.843 . 0 0 "[ . 1 . 2]" 1
489 1 141 GLU H 1 145 TRP HE1 5.500 . 5.500 4.988 4.150 5.261 . 0 0 "[ . 1 . 2]" 1
490 1 135 TRP H 1 142 MET H 4.900 . 4.900 4.426 3.653 4.867 . 0 0 "[ . 1 . 2]" 1
491 1 136 ASP H 1 142 MET H 5.500 . 5.500 5.487 5.271 5.558 0.058 18 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 97
_Distance_constraint_stats_list.Viol_count 570
_Distance_constraint_stats_list.Viol_total 325.657
_Distance_constraint_stats_list.Viol_max 0.154
_Distance_constraint_stats_list.Viol_rms 0.0198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0084
_Distance_constraint_stats_list.Viol_average_violations_only 0.0286
_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 1 MET 0.090 0.016 12 0 "[ . 1 . 2]"
1 2 LEU 0.248 0.030 20 0 "[ . 1 . 2]"
1 4 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.090 0.016 12 0 "[ . 1 . 2]"
1 6 ASN 0.257 0.030 20 0 "[ . 1 . 2]"
1 7 GLN 0.831 0.082 10 0 "[ . 1 . 2]"
1 8 ALA 0.831 0.082 10 0 "[ . 1 . 2]"
1 9 SER 0.038 0.025 10 0 "[ . 1 . 2]"
1 10 GLN 0.009 0.009 14 0 "[ . 1 . 2]"
1 11 GLY 1.990 0.084 3 0 "[ . 1 . 2]"
1 12 ARG 0.008 0.008 6 0 "[ . 1 . 2]"
1 13 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ALA 0.030 0.011 6 0 "[ . 1 . 2]"
1 15 TRP 1.491 0.084 3 0 "[ . 1 . 2]"
1 16 LEU 0.008 0.008 6 0 "[ . 1 . 2]"
1 17 LEU 0.078 0.022 3 0 "[ . 1 . 2]"
1 18 MET 0.216 0.031 19 0 "[ . 1 . 2]"
1 19 ALA 0.325 0.049 5 0 "[ . 1 . 2]"
1 20 PHE 0.028 0.017 20 0 "[ . 1 . 2]"
1 21 THR 0.470 0.046 10 0 "[ . 1 . 2]"
1 22 ALA 0.186 0.031 19 0 "[ . 1 . 2]"
1 23 LEU 0.030 0.014 7 0 "[ . 1 . 2]"
1 24 ALA 0.030 0.017 20 0 "[ . 1 . 2]"
1 25 LEU 0.457 0.046 10 0 "[ . 1 . 2]"
1 26 GLU 0.002 0.002 17 0 "[ . 1 . 2]"
1 27 LEU 0.326 0.044 11 0 "[ . 1 . 2]"
1 28 THR 0.002 0.002 4 0 "[ . 1 . 2]"
1 29 ALA 0.097 0.022 20 0 "[ . 1 . 2]"
1 30 LEU 0.002 0.002 17 0 "[ . 1 . 2]"
1 31 TRP 0.347 0.044 11 0 "[ . 1 . 2]"
1 32 PHE 0.203 0.034 15 0 "[ . 1 . 2]"
1 33 GLN 0.349 0.040 16 0 "[ . 1 . 2]"
1 34 HIS 0.136 0.040 16 0 "[ . 1 . 2]"
1 35 VAL 0.022 0.022 17 0 "[ . 1 . 2]"
1 36 MET 0.182 0.034 15 0 "[ . 1 . 2]"
1 37 LEU 0.136 0.040 16 0 "[ . 1 . 2]"
1 41 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.049 0.028 20 0 "[ . 1 . 2]"
1 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.031 0.015 1 0 "[ . 1 . 2]"
1 46 TYR 0.172 0.028 20 0 "[ . 1 . 2]"
1 47 GLU 0.057 0.025 5 0 "[ . 1 . 2]"
1 48 ARG 0.004 0.004 17 0 "[ . 1 . 2]"
1 49 ALA 0.031 0.015 1 0 "[ . 1 . 2]"
1 50 ALA 0.260 0.026 1 0 "[ . 1 . 2]"
1 51 LEU 0.057 0.025 5 0 "[ . 1 . 2]"
1 52 PHE 0.388 0.037 19 0 "[ . 1 . 2]"
1 53 GLY 0.220 0.037 6 0 "[ . 1 . 2]"
1 54 VAL 0.149 0.023 13 0 "[ . 1 . 2]"
1 55 LEU 0.189 0.027 5 0 "[ . 1 . 2]"
1 56 GLY 0.415 0.037 19 0 "[ . 1 . 2]"
1 57 ALA 0.227 0.037 6 0 "[ . 1 . 2]"
1 58 ALA 0.047 0.020 13 0 "[ . 1 . 2]"
1 59 LEU 0.189 0.027 5 0 "[ . 1 . 2]"
1 60 ILE 0.031 0.014 17 0 "[ . 1 . 2]"
1 61 GLY 0.007 0.007 17 0 "[ . 1 . 2]"
1 62 ALA 0.036 0.020 13 0 "[ . 1 . 2]"
1 67 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 PRO 0.006 0.003 3 0 "[ . 1 . 2]"
1 69 LEU 0.006 0.003 3 0 "[ . 1 . 2]"
1 70 ARG 0.077 0.036 6 0 "[ . 1 . 2]"
1 71 TYR 0.058 0.016 13 0 "[ . 1 . 2]"
1 72 VAL 0.064 0.016 13 0 "[ . 1 . 2]"
1 73 ALA 2.348 0.154 20 0 "[ . 1 . 2]"
1 74 MET 0.077 0.036 6 0 "[ . 1 . 2]"
1 75 VAL 1.127 0.077 15 0 "[ . 1 . 2]"
1 76 ILE 0.121 0.058 15 0 "[ . 1 . 2]"
1 77 TRP 2.393 0.154 20 0 "[ . 1 . 2]"
1 78 LEU 0.015 0.015 10 0 "[ . 1 . 2]"
1 79 TYR 1.465 0.077 15 0 "[ . 1 . 2]"
1 80 SER 0.121 0.058 15 0 "[ . 1 . 2]"
1 81 ALA 0.282 0.037 4 0 "[ . 1 . 2]"
1 82 PHE 0.015 0.015 10 0 "[ . 1 . 2]"
1 83 ARG 0.396 0.049 8 0 "[ . 1 . 2]"
1 84 GLY 0.025 0.013 2 0 "[ . 1 . 2]"
1 85 VAL 0.659 0.047 4 0 "[ . 1 . 2]"
1 86 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 LEU 0.242 0.040 13 0 "[ . 1 . 2]"
1 88 THR 0.161 0.031 7 0 "[ . 1 . 2]"
1 89 TYR 0.524 0.047 4 0 "[ . 1 . 2]"
1 90 GLU 0.095 0.027 5 0 "[ . 1 . 2]"
1 91 HIS 0.292 0.040 13 0 "[ . 1 . 2]"
1 92 THR 0.049 0.022 19 0 "[ . 1 . 2]"
1 93 MET 0.020 0.009 7 0 "[ . 1 . 2]"
1 94 LEU 0.107 0.027 5 0 "[ . 1 . 2]"
1 95 GLN 0.050 0.015 7 0 "[ . 1 . 2]"
1 96 LEU 0.006 0.006 12 0 "[ . 1 . 2]"
1 97 TYR 0.012 0.009 7 0 "[ . 1 . 2]"
1 115 PRO 0.043 0.037 12 0 "[ . 1 . 2]"
1 119 TRP 0.043 0.037 12 0 "[ . 1 . 2]"
1 121 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 PHE 0.103 0.023 14 0 "[ . 1 . 2]"
1 140 LEU 0.103 0.023 14 0 "[ . 1 . 2]"
1 141 GLU 0.160 0.137 11 0 "[ . 1 . 2]"
1 142 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 PRO 0.490 0.048 18 0 "[ . 1 . 2]"
1 144 GLN 1.175 0.099 20 0 "[ . 1 . 2]"
1 145 TRP 0.290 0.137 11 0 "[ . 1 . 2]"
1 146 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 147 LEU 0.490 0.048 18 0 "[ . 1 . 2]"
1 148 GLY 2.753 0.108 19 0 "[ . 1 . 2]"
1 149 ILE 0.136 0.032 17 0 "[ . 1 . 2]"
1 150 PHE 0.275 0.075 16 0 "[ . 1 . 2]"
1 151 ILE 0.005 0.005 14 0 "[ . 1 . 2]"
1 152 ALA 1.589 0.108 19 0 "[ . 1 . 2]"
1 153 TYR 0.087 0.028 1 0 "[ . 1 . 2]"
1 154 LEU 0.747 0.075 16 0 "[ . 1 . 2]"
1 155 ILE 0.108 0.043 8 0 "[ . 1 . 2]"
1 156 VAL 0.036 0.019 7 0 "[ . 1 . 2]"
1 157 ALA 0.092 0.028 1 0 "[ . 1 . 2]"
1 158 VAL 0.723 0.061 15 0 "[ . 1 . 2]"
1 159 LEU 0.346 0.043 8 0 "[ . 1 . 2]"
1 160 VAL 0.319 0.071 18 0 "[ . 1 . 2]"
1 161 VAL 0.293 0.071 18 0 "[ . 1 . 2]"
1 162 ILE 0.251 0.045 13 0 "[ . 1 . 2]"
1 163 SER 0.243 0.037 20 0 "[ . 1 . 2]"
1 164 GLN 0.288 0.071 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 MET O 1 5 LEU H 2.300 . 2.400 2.350 2.022 2.416 0.016 12 0 "[ . 1 . 2]" 2
2 1 2 LEU O 1 6 ASN H 2.300 . 2.400 2.392 2.185 2.430 0.030 20 0 "[ . 1 . 2]" 2
3 1 4 PHE O 1 8 ALA H 2.300 . 2.400 1.834 1.708 1.990 . 0 0 "[ . 1 . 2]" 2
4 1 5 LEU O 1 9 SER H 2.300 . 2.400 2.106 1.904 2.279 . 0 0 "[ . 1 . 2]" 2
5 1 6 ASN O 1 10 GLN H 2.300 . 2.400 2.239 2.080 2.409 0.009 14 0 "[ . 1 . 2]" 2
6 1 7 GLN O 1 11 GLY H 2.300 . 2.400 2.442 2.422 2.482 0.082 10 0 "[ . 1 . 2]" 2
7 1 11 GLY O 1 15 TRP H 2.300 . 2.400 2.458 2.415 2.484 0.084 3 0 "[ . 1 . 2]" 2
8 1 9 SER O 1 15 TRP HE1 2.300 . 2.400 2.264 2.076 2.425 0.025 10 0 "[ . 1 . 2]" 2
9 1 12 ARG O 1 16 LEU H 2.300 . 2.400 1.952 1.692 2.218 0.008 6 0 "[ . 1 . 2]" 2
10 1 13 GLY O 1 17 LEU H 2.300 . 2.400 2.063 1.881 2.281 . 0 0 "[ . 1 . 2]" 2
11 1 14 ALA O 1 18 MET H 2.300 . 2.400 2.249 1.963 2.411 0.011 6 0 "[ . 1 . 2]" 2
12 1 15 TRP O 1 19 ALA H 2.300 . 2.400 2.412 2.360 2.449 0.049 5 0 "[ . 1 . 2]" 2
13 1 16 LEU O 1 20 PHE H 2.300 . 2.400 2.210 2.065 2.315 . 0 0 "[ . 1 . 2]" 2
14 1 17 LEU O 1 21 THR H 2.300 . 2.400 2.368 2.256 2.422 0.022 3 0 "[ . 1 . 2]" 2
15 1 18 MET O 1 22 ALA H 2.300 . 2.400 2.379 2.239 2.431 0.031 19 0 "[ . 1 . 2]" 2
16 1 19 ALA O 1 23 LEU H 2.300 . 2.400 2.210 1.952 2.414 0.014 7 0 "[ . 1 . 2]" 2
17 1 20 PHE O 1 24 ALA H 2.300 . 2.400 1.746 1.683 1.817 0.017 20 0 "[ . 1 . 2]" 2
18 1 21 THR O 1 25 LEU H 2.300 . 2.400 2.418 2.375 2.446 0.046 10 0 "[ . 1 . 2]" 2
19 1 23 LEU O 1 27 LEU H 2.300 . 2.400 1.846 1.701 2.204 . 0 0 "[ . 1 . 2]" 2
20 1 24 ALA O 1 28 THR H 2.300 . 2.400 2.103 1.963 2.402 0.002 4 0 "[ . 1 . 2]" 2
21 1 25 LEU O 1 29 ALA H 2.300 . 2.400 2.383 2.239 2.422 0.022 20 0 "[ . 1 . 2]" 2
22 1 26 GLU O 1 30 LEU H 2.300 . 2.400 2.009 1.759 2.402 0.002 17 0 "[ . 1 . 2]" 2
23 1 27 LEU O 1 31 TRP H 2.300 . 2.400 2.413 2.354 2.444 0.044 11 0 "[ . 1 . 2]" 2
24 1 29 ALA O 1 33 GLN H 2.300 . 2.400 2.358 2.167 2.412 0.012 9 0 "[ . 1 . 2]" 2
25 1 31 TRP O 1 35 VAL H 2.300 . 2.400 2.114 1.678 2.374 0.022 17 0 "[ . 1 . 2]" 2
26 1 32 PHE O 1 36 MET H 2.300 . 2.400 1.792 1.666 2.319 0.034 15 0 "[ . 1 . 2]" 2
27 1 33 GLN O 1 37 LEU H 2.300 . 2.400 2.196 1.849 2.440 0.040 16 0 "[ . 1 . 2]" 2
28 1 41 CYS O 1 45 ILE H 2.300 . 2.400 2.116 1.883 2.343 . 0 0 "[ . 1 . 2]" 2
29 1 42 VAL O 1 46 TYR H 2.300 . 2.400 2.190 1.767 2.428 0.028 20 0 "[ . 1 . 2]" 2
30 1 43 LEU O 1 47 GLU H 2.300 . 2.400 1.860 1.762 2.038 . 0 0 "[ . 1 . 2]" 2
31 1 44 SER O 1 48 ARG H 2.300 . 2.400 2.111 1.884 2.346 . 0 0 "[ . 1 . 2]" 2
32 1 45 ILE O 1 49 ALA H 2.300 . 2.400 2.209 1.783 2.415 0.015 1 0 "[ . 1 . 2]" 2
33 1 46 TYR O 1 50 ALA H 2.300 . 2.400 2.347 2.071 2.426 0.026 1 0 "[ . 1 . 2]" 2
34 1 47 GLU O 1 51 LEU H 2.300 . 2.400 2.339 2.174 2.425 0.025 5 0 "[ . 1 . 2]" 2
35 1 48 ARG O 1 52 PHE H 2.300 . 2.400 1.786 1.696 1.858 0.004 17 0 "[ . 1 . 2]" 2
36 1 49 ALA O 1 53 GLY H 2.300 . 2.400 2.016 1.887 2.142 . 0 0 "[ . 1 . 2]" 2
37 1 50 ALA O 1 54 VAL H 2.300 . 2.400 2.396 2.305 2.423 0.023 13 0 "[ . 1 . 2]" 2
38 1 52 PHE O 1 56 GLY H 2.300 . 2.400 2.419 2.388 2.437 0.037 19 0 "[ . 1 . 2]" 2
39 1 53 GLY O 1 57 ALA H 2.300 . 2.400 2.316 1.914 2.437 0.037 6 0 "[ . 1 . 2]" 2
40 1 54 VAL O 1 58 ALA H 2.300 . 2.400 2.103 1.791 2.411 0.011 8 0 "[ . 1 . 2]" 2
41 1 55 LEU O 1 59 LEU H 2.300 . 2.400 2.391 2.237 2.427 0.027 5 0 "[ . 1 . 2]" 2
42 1 56 GLY O 1 60 ILE H 2.300 . 2.400 2.241 1.982 2.414 0.014 17 0 "[ . 1 . 2]" 2
43 1 57 ALA O 1 61 GLY H 2.300 . 2.400 1.958 1.693 2.253 0.007 17 0 "[ . 1 . 2]" 2
44 1 58 ALA O 1 62 ALA H 2.300 . 2.400 2.276 1.896 2.420 0.020 13 0 "[ . 1 . 2]" 2
45 1 67 THR O 1 70 ARG H 2.300 . 2.400 2.121 1.898 2.314 . 0 0 "[ . 1 . 2]" 2
46 1 68 PRO O 1 72 VAL H 2.300 . 2.400 1.928 1.697 2.225 0.003 3 0 "[ . 1 . 2]" 2
47 1 69 LEU O 1 73 ALA H 2.300 . 2.400 1.865 1.726 2.263 . 0 0 "[ . 1 . 2]" 2
48 1 70 ARG O 1 74 MET H 2.300 . 2.400 1.809 1.664 2.009 0.036 6 0 "[ . 1 . 2]" 2
49 1 71 TYR O 1 75 VAL H 2.300 . 2.400 2.255 1.849 2.416 0.016 13 0 "[ . 1 . 2]" 2
50 1 72 VAL O 1 76 ILE H 2.300 . 2.400 2.147 1.975 2.314 . 0 0 "[ . 1 . 2]" 2
51 1 73 ALA O 1 77 TRP H 2.300 . 2.400 2.517 2.476 2.554 0.154 20 0 "[ . 1 . 2]" 2
52 1 74 MET O 1 78 LEU H 2.300 . 2.400 1.795 1.700 2.035 . 1 0 "[ . 1 . 2]" 2
53 1 75 VAL O 1 79 TYR H 2.300 . 2.400 2.453 2.423 2.477 0.077 15 0 "[ . 1 . 2]" 2
54 1 76 ILE O 1 80 SER H 2.300 . 2.400 2.306 2.134 2.458 0.058 15 0 "[ . 1 . 2]" 2
55 1 77 TRP O 1 80 SER HG 2.300 . 2.400 1.908 1.756 2.091 . 0 0 "[ . 1 . 2]" 2
56 1 77 TRP O 1 81 ALA H 2.300 . 2.400 2.269 2.014 2.425 0.025 10 0 "[ . 1 . 2]" 2
57 1 78 LEU O 1 82 PHE H 2.300 . 2.400 2.250 2.128 2.415 0.015 10 0 "[ . 1 . 2]" 2
58 1 79 TYR O 1 83 ARG H 2.300 . 2.400 2.408 2.315 2.449 0.049 8 0 "[ . 1 . 2]" 2
59 1 80 SER O 1 84 GLY H 2.300 . 2.500 1.985 1.868 2.141 . 0 0 "[ . 1 . 2]" 2
60 1 81 ALA O 1 85 VAL H 2.300 . 2.400 2.395 2.316 2.437 0.037 4 0 "[ . 1 . 2]" 2
61 1 82 PHE O 1 86 GLN H 2.300 . 2.400 1.895 1.764 2.243 . 0 0 "[ . 1 . 2]" 2
62 1 84 GLY O 1 88 THR H 2.300 . 2.400 2.193 1.879 2.413 0.013 2 0 "[ . 1 . 2]" 2
63 1 88 THR HG1 1 89 TYR N 2.300 . 2.400 2.339 2.182 2.431 0.031 7 0 "[ . 1 . 2]" 2
64 1 85 VAL O 1 89 TYR H 2.300 . 2.400 2.402 2.253 2.447 0.047 4 0 "[ . 1 . 2]" 2
65 1 87 LEU O 1 91 HIS H 2.300 . 2.400 2.372 2.249 2.440 0.040 13 0 "[ . 1 . 2]" 2
66 1 88 THR O 1 92 THR H 2.300 . 2.400 2.169 1.806 2.422 0.022 19 0 "[ . 1 . 2]" 2
67 1 89 TYR O 1 93 MET H 2.300 . 2.400 1.839 1.692 2.344 0.008 12 0 "[ . 1 . 2]" 2
68 1 90 GLU O 1 94 LEU H 2.300 . 2.400 2.325 2.036 2.427 0.027 5 0 "[ . 1 . 2]" 2
69 1 91 HIS O 1 95 GLN H 2.300 . 2.400 2.160 1.782 2.415 0.015 7 0 "[ . 1 . 2]" 2
70 1 92 THR O 1 96 LEU H 2.300 . 2.400 1.945 1.694 2.251 0.006 12 0 "[ . 1 . 2]" 2
71 1 93 MET O 1 97 TYR H 2.300 . 2.400 1.748 1.691 1.823 0.009 7 0 "[ . 1 . 2]" 2
72 1 115 PRO O 1 119 TRP H 2.300 . 2.400 1.917 1.663 2.184 0.037 12 0 "[ . 1 . 2]" 2
73 1 121 PRO O 1 125 VAL H 2.300 . 2.400 2.084 1.997 2.205 . 0 0 "[ . 1 . 2]" 2
74 1 137 PHE H 1 140 LEU O 2.300 . 2.400 1.802 1.690 1.891 0.010 8 0 "[ . 1 . 2]" 2
75 1 137 PHE O 1 140 LEU H 2.300 . 2.400 1.866 1.686 2.423 0.023 14 0 "[ . 1 . 2]" 2
76 1 141 GLU O 1 144 GLN H 2.300 . 2.400 2.141 1.820 2.404 0.004 2 0 "[ . 1 . 2]" 2
77 1 141 GLU O 1 145 TRP H 2.300 . 2.400 2.327 2.160 2.537 0.137 11 0 "[ . 1 . 2]" 2
78 1 137 PHE O 1 145 TRP HE1 2.300 . 2.400 2.113 1.840 2.326 . 0 0 "[ . 1 . 2]" 2
79 1 142 MET O 1 146 LEU H 2.300 . 2.400 1.862 1.748 2.088 . 0 0 "[ . 1 . 2]" 2
80 1 143 PRO O 1 147 LEU H 2.300 . 2.400 2.424 2.382 2.448 0.048 18 0 "[ . 1 . 2]" 2
81 1 144 GLN O 1 148 GLY H 2.300 . 2.400 2.458 2.424 2.499 0.099 20 0 "[ . 1 . 2]" 2
82 1 145 TRP O 1 149 ILE H 2.300 . 2.400 2.364 2.205 2.432 0.032 17 0 "[ . 1 . 2]" 2
83 1 146 LEU O 1 150 PHE H 2.300 . 2.400 1.967 1.754 2.378 . 0 0 "[ . 1 . 2]" 2
84 1 147 LEU O 1 151 ILE H 2.300 . 2.400 2.132 1.974 2.330 . 0 0 "[ . 1 . 2]" 2
85 1 148 GLY O 1 152 ALA H 2.300 . 2.400 2.479 2.444 2.508 0.108 19 0 "[ . 1 . 2]" 2
86 1 149 ILE O 1 153 TYR H 2.300 . 2.400 2.099 1.837 2.373 . 0 0 "[ . 1 . 2]" 2
87 1 150 PHE O 1 154 LEU H 2.300 . 2.400 2.213 1.723 2.475 0.075 16 0 "[ . 1 . 2]" 2
88 1 151 ILE O 1 155 ILE H 2.300 . 2.400 2.164 1.870 2.405 0.005 14 0 "[ . 1 . 2]" 2
89 1 152 ALA O 1 156 VAL H 2.300 . 2.400 2.164 1.859 2.405 0.005 4 0 "[ . 1 . 2]" 2
90 1 153 TYR O 1 157 ALA H 2.300 . 2.400 2.313 2.097 2.428 0.028 1 0 "[ . 1 . 2]" 2
91 1 154 LEU O 1 158 VAL H 2.300 . 2.400 2.399 2.188 2.461 0.061 15 0 "[ . 1 . 2]" 2
92 1 155 ILE O 1 159 LEU H 2.300 . 2.400 2.196 1.823 2.443 0.043 8 0 "[ . 1 . 2]" 2
93 1 156 VAL O 1 160 VAL H 2.300 . 2.400 2.187 1.864 2.419 0.019 7 0 "[ . 1 . 2]" 2
94 1 157 ALA O 1 161 VAL H 2.300 . 2.400 2.017 1.766 2.405 0.005 14 0 "[ . 1 . 2]" 2
95 1 158 VAL O 1 162 ILE H 2.300 . 2.400 2.299 1.814 2.445 0.045 13 0 "[ . 1 . 2]" 2
96 1 159 LEU O 1 163 SER H 2.300 . 2.400 2.403 2.279 2.437 0.037 20 0 "[ . 1 . 2]" 2
97 1 160 VAL O 1 164 GLN H 2.300 . 2.400 2.367 2.178 2.471 0.071 18 0 "[ . 1 . 2]" 2
stop_
save_
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