NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
406305 |
1xjs   |
6362 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1xjs
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 473
_Distance_constraint_stats_list.Viol_count 593
_Distance_constraint_stats_list.Viol_total 379.382
_Distance_constraint_stats_list.Viol_max 0.375
_Distance_constraint_stats_list.Viol_rms 0.0305
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0080
_Distance_constraint_stats_list.Viol_average_violations_only 0.0640
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 ASN 0.335 0.173 9 0 "[ . 1]"
1 7 LEU 0.693 0.173 9 0 "[ . 1]"
1 8 ASP 0.225 0.077 5 0 "[ . 1]"
1 9 THR 0.360 0.094 9 0 "[ . 1]"
1 10 LEU 0.027 0.027 9 0 "[ . 1]"
1 11 TYR 1.420 0.209 5 0 "[ . 1]"
1 12 ARG 0.000 0.000 . 0 "[ . 1]"
1 13 GLN 0.182 0.045 3 0 "[ . 1]"
1 14 VAL 1.398 0.209 5 0 "[ . 1]"
1 15 ILE 0.000 0.000 . 0 "[ . 1]"
1 16 MET 0.156 0.045 3 0 "[ . 1]"
1 17 ASP 0.000 0.000 . 0 "[ . 1]"
1 18 HIS 0.532 0.089 6 0 "[ . 1]"
1 19 TYR 0.020 0.008 9 0 "[ . 1]"
1 20 LYS 0.011 0.008 7 0 "[ . 1]"
1 21 ASN 0.091 0.089 6 0 "[ . 1]"
1 23 ARG 0.169 0.071 3 0 "[ . 1]"
1 24 ASN 0.183 0.146 1 0 "[ . 1]"
1 25 LYS 0.183 0.146 1 0 "[ . 1]"
1 26 GLY 0.134 0.036 8 0 "[ . 1]"
1 27 VAL 0.000 0.000 . 0 "[ . 1]"
1 28 LEU 0.721 0.095 6 0 "[ . 1]"
1 29 ASN 0.000 0.000 . 0 "[ . 1]"
1 30 ASP 0.000 0.000 . 0 "[ . 1]"
1 31 SER 0.116 0.024 1 0 "[ . 1]"
1 32 ILE 0.607 0.250 7 0 "[ . 1]"
1 33 VAL 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 0.000 0.000 . 0 "[ . 1]"
1 35 ASP 0.000 0.000 . 0 "[ . 1]"
1 36 MET 2.149 0.293 8 0 "[ . 1]"
1 37 ASN 1.522 0.293 8 0 "[ . 1]"
1 38 ASN 1.035 0.143 5 0 "[ . 1]"
1 41 CYS 0.299 0.078 4 0 "[ . 1]"
1 42 GLY 0.213 0.090 2 0 "[ . 1]"
1 43 ASP 1.261 0.143 5 0 "[ . 1]"
1 44 ARG 1.018 0.172 4 0 "[ . 1]"
1 45 ILE 0.527 0.090 8 0 "[ . 1]"
1 46 ARG 0.000 0.000 . 0 "[ . 1]"
1 47 LEU 1.632 0.310 2 0 "[ . 1]"
1 48 THR 3.068 0.184 2 0 "[ . 1]"
1 49 MET 0.116 0.024 1 0 "[ . 1]"
1 50 LYS 0.802 0.133 2 0 "[ . 1]"
1 51 LEU 1.016 0.250 7 0 "[ . 1]"
1 52 ASP 1.462 0.123 6 0 "[ . 1]"
1 53 GLY 0.061 0.046 8 0 "[ . 1]"
1 54 ASP 0.317 0.079 6 0 "[ . 1]"
1 55 ILE 2.980 0.288 10 0 "[ . 1]"
1 56 VAL 3.057 0.288 10 0 "[ . 1]"
1 57 GLU 0.435 0.081 4 0 "[ . 1]"
1 58 ASP 1.430 0.133 2 0 "[ . 1]"
1 59 ALA 0.022 0.022 3 0 "[ . 1]"
1 60 LYS 1.183 0.144 2 0 "[ . 1]"
1 61 PHE 0.444 0.310 2 0 "[ . 1]"
1 62 GLU 0.000 0.000 . 0 "[ . 1]"
1 64 GLU 0.849 0.172 4 0 "[ . 1]"
1 65 GLY 0.149 0.050 9 0 "[ . 1]"
1 66 CYS 1.427 0.152 6 0 "[ . 1]"
1 67 SER 0.000 0.000 . 0 "[ . 1]"
1 68 ILE 0.400 0.053 9 0 "[ . 1]"
1 69 SER 0.422 0.108 2 0 "[ . 1]"
1 70 MET 1.344 0.152 6 0 "[ . 1]"
1 71 ALA 0.361 0.108 2 0 "[ . 1]"
1 72 SER 0.369 0.117 6 0 "[ . 1]"
1 73 ALA 0.845 0.086 4 0 "[ . 1]"
1 74 SER 0.291 0.073 3 0 "[ . 1]"
1 75 MET 0.000 0.000 . 0 "[ . 1]"
1 76 MET 0.512 0.086 4 0 "[ . 1]"
1 77 THR 0.045 0.018 10 0 "[ . 1]"
1 78 GLN 0.942 0.174 4 0 "[ . 1]"
1 79 ALA 0.155 0.044 1 0 "[ . 1]"
1 80 ILE 0.974 0.174 4 0 "[ . 1]"
1 81 LYS 0.110 0.044 1 0 "[ . 1]"
1 82 GLY 0.000 0.000 . 0 "[ . 1]"
1 83 LYS 0.542 0.108 8 0 "[ . 1]"
1 84 ASP 2.032 0.262 6 0 "[ . 1]"
1 85 ILE 2.037 0.262 6 0 "[ . 1]"
1 86 GLU 0.123 0.020 9 0 "[ . 1]"
1 87 THR 0.063 0.019 1 0 "[ . 1]"
1 88 ALA 0.223 0.042 5 0 "[ . 1]"
1 89 LEU 0.164 0.036 7 0 "[ . 1]"
1 90 SER 0.955 0.164 6 0 "[ . 1]"
1 92 SER 2.010 0.200 9 0 "[ . 1]"
1 93 LYS 1.052 0.164 6 0 "[ . 1]"
1 94 ILE 0.707 0.375 2 0 "[ . 1]"
1 95 PHE 1.477 0.200 9 0 "[ . 1]"
1 96 SER 0.022 0.013 9 0 "[ . 1]"
1 97 ASP 0.000 0.000 . 0 "[ . 1]"
1 98 MET 0.000 0.000 . 0 "[ . 1]"
1 99 MET 0.247 0.037 2 0 "[ . 1]"
1 100 GLN 0.264 0.071 1 0 "[ . 1]"
1 101 GLY 0.175 0.037 2 0 "[ . 1]"
1 102 LYS 0.335 0.071 1 0 "[ . 1]"
1 103 GLU 0.000 0.000 . 0 "[ . 1]"
1 104 TYR 1.535 0.240 4 0 "[ . 1]"
1 105 ASP 2.589 0.240 4 0 "[ . 1]"
1 106 ASP 1.523 0.375 2 0 "[ . 1]"
1 107 SER 0.270 0.126 9 0 "[ . 1]"
1 108 ILE 0.735 0.226 8 0 "[ . 1]"
1 109 ASP 0.095 0.058 7 0 "[ . 1]"
1 110 LEU 0.374 0.171 1 0 "[ . 1]"
1 111 GLY 0.082 0.063 10 0 "[ . 1]"
1 112 ASP 0.029 0.025 3 0 "[ . 1]"
1 113 ILE 0.699 0.171 1 0 "[ . 1]"
1 114 GLU 0.092 0.037 1 0 "[ . 1]"
1 115 ALA 0.079 0.033 10 0 "[ . 1]"
1 116 LEU 0.277 0.072 10 0 "[ . 1]"
1 117 GLN 0.028 0.018 10 0 "[ . 1]"
1 118 GLY 0.000 0.000 . 0 "[ . 1]"
1 119 VAL 0.070 0.053 9 0 "[ . 1]"
1 120 SER 0.021 0.021 8 0 "[ . 1]"
1 121 LYS 2.326 0.251 7 0 "[ . 1]"
1 122 PHE 0.414 0.107 8 0 "[ . 1]"
1 124 ALA 0.000 0.000 . 0 "[ . 1]"
1 125 ARG 2.870 0.251 7 0 "[ . 1]"
1 126 ILE 0.121 0.107 8 0 "[ . 1]"
1 127 LYS 1.105 0.128 8 0 "[ . 1]"
1 128 CYS 0.122 0.022 4 0 "[ . 1]"
1 129 ALA 0.344 0.065 10 0 "[ . 1]"
1 130 THR 0.122 0.022 4 0 "[ . 1]"
1 131 LEU 0.055 0.027 5 0 "[ . 1]"
1 132 SER 0.000 0.000 . 0 "[ . 1]"
1 133 TRP 0.275 0.052 10 0 "[ . 1]"
1 134 LYS 0.247 0.052 10 0 "[ . 1]"
1 135 ALA 0.189 0.101 9 0 "[ . 1]"
1 136 LEU 1.159 0.146 3 0 "[ . 1]"
1 137 GLU 0.287 0.101 9 0 "[ . 1]"
1 138 LYS 1.034 0.146 3 0 "[ . 1]"
1 139 GLY 0.093 0.038 9 0 "[ . 1]"
1 140 VAL 0.311 0.170 9 0 "[ . 1]"
1 141 ALA 0.208 0.170 9 0 "[ . 1]"
1 143 GLU 0.700 0.117 6 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 6 ASN H 1 7 LEU H 4.000 . 4.000 3.068 1.958 4.173 0.173 9 0 "[ . 1]" 1
2 1 6 ASN H 1 8 ASP H 5.000 . 5.000 4.221 3.652 5.064 0.064 9 0 "[ . 1]" 1
3 1 6 ASN QD 1 7 LEU H 6.000 . 6.000 4.016 2.244 4.683 . 0 0 "[ . 1]" 1
4 1 7 LEU H 1 8 ASP H 2.700 . 2.700 2.336 1.895 2.777 0.077 5 0 "[ . 1]" 1
5 1 7 LEU H 1 9 THR H 4.200 . 4.200 4.038 3.243 4.294 0.094 9 0 "[ . 1]" 1
6 1 7 LEU QD 1 8 ASP H 7.400 . 7.400 4.029 3.679 4.275 . 0 0 "[ . 1]" 1
7 1 7 LEU QD 1 11 TYR QD 9.600 . 9.600 3.244 2.122 3.931 . 0 0 "[ . 1]" 1
8 1 7 LEU QD 1 11 TYR QE 9.600 . 9.600 3.837 2.033 5.010 . 0 0 "[ . 1]" 1
9 1 7 LEU QD 1 68 ILE MD 8.400 . 8.400 4.878 4.184 5.132 . 0 0 "[ . 1]" 1
10 1 7 LEU QD 1 115 ALA H 7.400 . 7.400 4.438 3.577 4.841 . 0 0 "[ . 1]" 1
11 1 8 ASP H 1 9 THR H 2.900 . 2.900 2.796 2.542 2.925 0.025 6 0 "[ . 1]" 1
12 1 8 ASP H 1 10 LEU H 4.400 . 4.400 4.026 3.723 4.325 . 0 0 "[ . 1]" 1
13 1 9 THR H 1 10 LEU H 2.900 . 2.900 2.547 2.402 2.740 . 0 0 "[ . 1]" 1
14 1 9 THR H 1 10 LEU QD 7.400 . 7.400 4.813 3.365 5.432 . 0 0 "[ . 1]" 1
15 1 9 THR H 1 11 TYR H 4.600 . 4.600 4.465 4.036 4.613 0.013 2 0 "[ . 1]" 1
16 1 10 LEU H 1 11 TYR H 3.000 . 3.000 2.653 2.473 2.759 . 0 0 "[ . 1]" 1
17 1 10 LEU H 1 11 TYR QB 5.600 . 5.600 4.687 4.303 4.881 . 0 0 "[ . 1]" 1
18 1 10 LEU H 1 11 TYR QD 7.200 . 7.200 4.443 4.095 5.253 . 0 0 "[ . 1]" 1
19 1 10 LEU H 1 11 TYR QE 7.200 . 7.200 5.813 5.497 6.642 . 0 0 "[ . 1]" 1
20 1 10 LEU H 1 12 ARG H 4.400 . 4.400 3.932 3.565 4.269 . 0 0 "[ . 1]" 1
21 1 10 LEU H 1 13 GLN H 4.900 . 4.900 4.744 4.536 4.927 0.027 9 0 "[ . 1]" 1
22 1 10 LEU QD 1 11 TYR QD 9.600 . 9.600 4.988 4.147 5.421 . 0 0 "[ . 1]" 1
23 1 10 LEU QD 1 14 VAL QG 9.800 . 9.800 3.105 1.932 3.710 . 0 0 "[ . 1]" 1
24 1 11 TYR H 1 11 TYR QE 6.000 . 6.000 4.679 4.485 4.947 . 0 0 "[ . 1]" 1
25 1 11 TYR H 1 12 ARG H 3.200 . 3.200 2.569 2.403 2.761 . 0 0 "[ . 1]" 1
26 1 11 TYR H 1 14 VAL H 4.300 . 4.300 4.440 4.399 4.509 0.209 5 0 "[ . 1]" 1
27 1 11 TYR HB2 1 12 ARG H 5.000 . 5.000 3.847 2.453 4.236 . 0 0 "[ . 1]" 1
28 1 11 TYR HB3 1 12 ARG H 5.000 . 5.000 3.783 3.326 4.126 . 0 0 "[ . 1]" 1
29 1 11 TYR QD 1 15 ILE MD 8.200 . 8.200 4.205 3.366 6.183 . 0 0 "[ . 1]" 1
30 1 11 TYR QE 1 12 ARG H 7.200 . 7.200 4.690 4.005 6.515 . 0 0 "[ . 1]" 1
31 1 12 ARG H 1 13 GLN H 3.200 . 3.200 2.610 2.451 2.806 . 0 0 "[ . 1]" 1
32 1 13 GLN H 1 14 VAL H 2.700 . 2.700 2.522 2.466 2.631 . 0 0 "[ . 1]" 1
33 1 13 GLN H 1 14 VAL QG 7.400 . 7.400 3.962 3.883 4.123 . 0 0 "[ . 1]" 1
34 1 13 GLN H 1 16 MET H 4.700 . 4.700 4.691 4.577 4.745 0.045 3 0 "[ . 1]" 1
35 1 14 VAL H 1 15 ILE H 2.900 . 2.900 2.750 2.567 2.827 . 0 0 "[ . 1]" 1
36 1 14 VAL QG 1 15 ILE H 7.400 . 7.400 3.124 3.047 3.292 . 0 0 "[ . 1]" 1
37 1 14 VAL QG 1 16 MET H 7.400 . 7.400 4.531 4.416 4.690 . 0 0 "[ . 1]" 1
38 1 14 VAL QG 1 17 ASP H 7.400 . 7.400 4.538 4.335 4.790 . 0 0 "[ . 1]" 1
39 1 14 VAL QG 1 18 HIS H 7.400 . 7.400 4.037 3.756 4.448 . 0 0 "[ . 1]" 1
40 1 14 VAL QG 1 75 MET H 7.400 . 7.400 4.502 4.292 4.971 . 0 0 "[ . 1]" 1
41 1 14 VAL QG 1 115 ALA H 7.400 . 7.400 5.114 4.874 5.388 . 0 0 "[ . 1]" 1
42 1 15 ILE H 1 17 ASP H 5.000 . 5.000 4.306 4.131 4.559 . 0 0 "[ . 1]" 1
43 1 15 ILE MD 1 16 MET H 6.000 . 6.000 4.557 2.549 4.980 . 0 0 "[ . 1]" 1
44 1 16 MET H 1 17 ASP H 3.000 . 3.000 2.654 2.426 2.850 . 0 0 "[ . 1]" 1
45 1 16 MET H 1 18 HIS H 4.400 . 4.400 3.967 3.802 4.216 . 0 0 "[ . 1]" 1
46 1 16 MET H 1 19 TYR H 4.800 . 4.800 4.566 4.308 4.696 . 0 0 "[ . 1]" 1
47 1 17 ASP H 1 18 HIS H 2.800 . 2.800 2.587 2.502 2.741 . 0 0 "[ . 1]" 1
48 1 17 ASP H 1 19 TYR H 4.900 . 4.900 3.870 3.635 3.975 . 0 0 "[ . 1]" 1
49 1 18 HIS H 1 19 TYR H 3.400 . 3.400 2.489 2.214 2.600 . 0 0 "[ . 1]" 1
50 1 18 HIS H 1 19 TYR HB2 5.000 . 5.000 4.754 4.204 4.963 . 0 0 "[ . 1]" 1
51 1 18 HIS H 1 19 TYR HB3 5.000 . 5.000 4.804 4.655 5.008 0.008 9 0 "[ . 1]" 1
52 1 18 HIS H 1 19 TYR QD 7.200 . 7.200 6.205 5.842 6.295 . 0 0 "[ . 1]" 1
53 1 18 HIS H 1 20 LYS H 4.600 . 4.600 4.017 3.824 4.180 . 0 0 "[ . 1]" 1
54 1 18 HIS H 1 21 ASN H 5.000 . 5.000 4.733 4.434 5.089 0.089 6 0 "[ . 1]" 1
55 1 18 HIS HE2 1 23 ARG H 5.000 . 5.000 4.624 3.722 5.071 0.071 3 0 "[ . 1]" 1
56 1 18 HIS HE2 1 74 SER H 5.000 . 5.000 4.986 4.650 5.073 0.073 3 0 "[ . 1]" 1
57 1 19 TYR H 1 20 LYS H 3.500 . 3.500 2.421 2.232 2.535 . 0 0 "[ . 1]" 1
58 1 19 TYR H 1 21 ASN H 5.000 . 5.000 3.719 3.619 3.957 . 0 0 "[ . 1]" 1
59 1 19 TYR HB2 1 20 LYS H 4.000 . 4.000 3.881 3.757 4.008 0.008 7 0 "[ . 1]" 1
60 1 19 TYR HB3 1 20 LYS H 4.000 . 4.000 2.748 2.459 3.016 . 0 0 "[ . 1]" 1
61 1 19 TYR QB 1 21 ASN H 5.000 . 5.000 4.498 4.450 4.542 . 0 0 "[ . 1]" 1
62 1 19 TYR QD 1 20 LYS H 7.200 . 7.200 3.929 3.394 4.423 . 0 0 "[ . 1]" 1
63 1 20 LYS H 1 21 ASN H 4.000 . 4.000 2.457 2.288 2.576 . 0 0 "[ . 1]" 1
64 1 20 LYS H 1 21 ASN QD 6.000 . 6.000 4.661 3.591 5.367 . 0 0 "[ . 1]" 1
65 1 21 ASN H 1 21 ASN HD21 5.000 . 5.000 3.419 2.762 4.141 . 0 0 "[ . 1]" 1
66 1 21 ASN H 1 21 ASN HD22 5.000 . 5.000 4.342 3.674 4.830 . 0 0 "[ . 1]" 1
67 1 23 ARG H 1 24 ASN H 5.000 . 5.000 3.468 1.925 4.656 . 0 0 "[ . 1]" 1
68 1 24 ASN H 1 25 LYS H 4.000 . 4.000 3.451 2.044 4.146 0.146 1 0 "[ . 1]" 1
69 1 24 ASN QD 1 71 ALA H 6.000 . 6.000 5.032 4.625 5.361 . 0 0 "[ . 1]" 1
70 1 25 LYS H 1 26 GLY H 5.000 . 5.000 3.379 1.833 4.014 . 0 0 "[ . 1]" 1
71 1 26 GLY H 1 27 VAL H 5.000 . 5.000 4.200 3.988 4.414 . 0 0 "[ . 1]" 1
72 1 26 GLY H 1 61 PHE H 4.000 . 4.000 3.839 3.181 4.036 0.036 8 0 "[ . 1]" 1
73 1 27 VAL H 1 28 LEU H 5.000 . 5.000 3.974 3.770 4.123 . 0 0 "[ . 1]" 1
74 1 27 VAL H 1 28 LEU QD 7.400 . 7.400 5.347 5.036 5.581 . 0 0 "[ . 1]" 1
75 1 27 VAL QG 1 28 LEU H 7.400 . 7.400 3.213 2.816 3.694 . 0 0 "[ . 1]" 1
76 1 28 LEU H 1 48 THR H 4.000 . 4.000 4.072 4.053 4.095 0.095 6 0 "[ . 1]" 1
77 1 28 LEU H 1 48 THR HG1 5.000 . 5.000 2.458 2.251 2.561 . 0 0 "[ . 1]" 1
78 1 28 LEU H 1 60 LYS H 5.000 . 5.000 4.471 4.119 4.830 . 0 0 "[ . 1]" 1
79 1 28 LEU QD 1 32 ILE H 7.400 . 7.400 4.636 3.836 5.312 . 0 0 "[ . 1]" 1
80 1 28 LEU QD 1 33 VAL QG 9.800 . 9.800 4.545 4.214 5.220 . 0 0 "[ . 1]" 1
81 1 28 LEU QD 1 48 THR H 7.400 . 7.400 5.310 4.898 5.524 . 0 0 "[ . 1]" 1
82 1 28 LEU QD 1 49 MET H 7.400 . 7.400 4.359 3.934 4.842 . 0 0 "[ . 1]" 1
83 1 28 LEU QD 1 50 LYS H 7.400 . 7.400 3.525 2.905 4.139 . 0 0 "[ . 1]" 1
84 1 28 LEU QD 1 59 ALA H 7.400 . 7.400 4.228 3.396 5.030 . 0 0 "[ . 1]" 1
85 1 28 LEU QD 1 60 LYS H 7.400 . 7.400 3.990 3.587 4.427 . 0 0 "[ . 1]" 1
86 1 29 ASN H 1 33 VAL QG 7.400 . 7.400 4.412 4.005 4.844 . 0 0 "[ . 1]" 1
87 1 30 ASP H 1 31 SER H 4.000 . 4.000 2.605 2.318 3.018 . 0 0 "[ . 1]" 1
88 1 30 ASP H 1 33 VAL QG 7.400 . 7.400 3.035 2.291 4.208 . 0 0 "[ . 1]" 1
89 1 31 SER H 1 32 ILE H 5.000 . 5.000 2.658 2.137 3.372 . 0 0 "[ . 1]" 1
90 1 31 SER H 1 33 VAL QG 7.400 . 7.400 3.964 3.241 5.357 . 0 0 "[ . 1]" 1
91 1 31 SER H 1 49 MET H 5.000 . 5.000 4.917 4.527 5.024 0.024 1 0 "[ . 1]" 1
92 1 32 ILE H 1 49 MET H 4.000 . 4.000 3.339 3.075 3.728 . 0 0 "[ . 1]" 1
93 1 32 ILE H 1 51 LEU H 4.000 . 4.000 4.013 3.909 4.044 0.044 7 0 "[ . 1]" 1
94 1 32 ILE H 1 51 LEU QD 7.400 . 7.400 3.733 3.085 4.612 . 0 0 "[ . 1]" 1
95 1 32 ILE MD 1 33 VAL H 6.000 . 6.000 4.998 4.750 5.053 . 0 0 "[ . 1]" 1
96 1 32 ILE MD 1 49 MET H 6.000 . 6.000 3.800 3.281 4.082 . 0 0 "[ . 1]" 1
97 1 32 ILE MD 1 50 LYS H 6.000 . 6.000 4.722 4.531 4.816 . 0 0 "[ . 1]" 1
98 1 32 ILE MD 1 51 LEU H 6.000 . 6.000 3.990 3.291 4.395 . 0 0 "[ . 1]" 1
99 1 32 ILE MD 1 51 LEU QD 8.400 . 8.400 1.876 1.550 2.102 0.250 7 0 "[ . 1]" 1
100 1 32 ILE MD 1 140 VAL H 6.000 . 6.000 4.156 3.752 4.850 . 0 0 "[ . 1]" 1
101 1 32 ILE MD 1 140 VAL QG 5.000 . 5.000 2.320 1.958 2.707 . 0 0 "[ . 1]" 1
102 1 33 VAL H 1 34 VAL H 4.600 . 4.600 3.812 3.488 4.031 . 0 0 "[ . 1]" 1
103 1 33 VAL H 1 34 VAL QG 7.400 . 7.400 3.431 3.215 4.064 . 0 0 "[ . 1]" 1
104 1 33 VAL QG 1 34 VAL H 7.400 . 7.400 3.278 3.027 3.754 . 0 0 "[ . 1]" 1
105 1 33 VAL QG 1 35 ASP H 7.400 . 7.400 4.135 3.656 5.268 . 0 0 "[ . 1]" 1
106 1 33 VAL QG 1 47 LEU H 7.400 . 7.400 4.818 4.437 5.470 . 0 0 "[ . 1]" 1
107 1 33 VAL QG 1 48 THR H 7.400 . 7.400 5.053 4.661 5.382 . 0 0 "[ . 1]" 1
108 1 33 VAL QG 1 49 MET H 7.400 . 7.400 4.309 3.954 4.933 . 0 0 "[ . 1]" 1
109 1 34 VAL H 1 35 ASP H 4.500 . 4.500 4.272 4.010 4.492 . 0 0 "[ . 1]" 1
110 1 34 VAL H 1 47 LEU H 4.000 . 4.000 3.454 3.203 3.691 . 0 0 "[ . 1]" 1
111 1 34 VAL H 1 47 LEU QD 7.400 . 7.400 4.355 3.599 4.816 . 0 0 "[ . 1]" 1
112 1 34 VAL MG1 1 47 LEU QD 8.400 . 8.400 3.558 2.511 4.216 . 0 0 "[ . 1]" 1
113 1 34 VAL MG2 1 47 LEU QD 8.400 . 8.400 3.332 2.615 4.138 . 0 0 "[ . 1]" 1
114 1 34 VAL QG 1 35 ASP H 7.400 . 7.400 2.850 2.306 3.625 . 0 0 "[ . 1]" 1
115 1 34 VAL QG 1 36 MET H 7.400 . 7.400 4.394 3.993 4.852 . 0 0 "[ . 1]" 1
116 1 34 VAL QG 1 47 LEU H 7.400 . 7.400 3.654 2.873 4.104 . 0 0 "[ . 1]" 1
117 1 34 VAL QG 1 138 LYS H 7.400 . 7.400 4.060 3.548 4.562 . 0 0 "[ . 1]" 1
118 1 34 VAL QG 1 139 GLY H 7.400 . 7.400 3.268 2.902 3.542 . 0 0 "[ . 1]" 1
119 1 34 VAL QG 1 140 VAL H 7.400 . 7.400 4.623 4.215 5.150 . 0 0 "[ . 1]" 1
120 1 35 ASP H 1 36 MET H 5.000 . 5.000 4.413 4.190 4.560 . 0 0 "[ . 1]" 1
121 1 35 ASP H 1 47 LEU H 5.000 . 5.000 4.768 4.312 4.984 . 0 0 "[ . 1]" 1
122 1 36 MET H 1 37 ASN H 4.000 . 4.000 4.152 4.022 4.293 0.293 8 0 "[ . 1]" 1
123 1 36 MET H 1 45 ILE H 2.600 . 2.600 2.653 2.607 2.690 0.090 8 0 "[ . 1]" 1
124 1 36 MET H 1 47 LEU H 5.000 . 5.000 4.852 4.443 5.044 0.044 10 0 "[ . 1]" 1
125 1 36 MET H 1 131 LEU QD 7.400 . 7.400 4.828 4.277 5.352 . 0 0 "[ . 1]" 1
126 1 37 ASN H 1 37 ASN HD21 5.000 . 5.000 2.918 2.237 4.360 . 0 0 "[ . 1]" 1
127 1 37 ASN H 1 37 ASN HD22 5.000 . 5.000 3.768 3.242 4.434 . 0 0 "[ . 1]" 1
128 1 37 ASN H 1 38 ASN H 5.000 . 5.000 4.374 4.157 4.526 . 0 0 "[ . 1]" 1
129 1 37 ASN H 1 131 LEU QD 7.400 . 7.400 4.640 3.839 5.477 . 0 0 "[ . 1]" 1
130 1 37 ASN QD 1 38 ASN H 6.000 . 6.000 4.777 3.739 5.344 . 0 0 "[ . 1]" 1
131 1 38 ASN H 1 41 CYS H 5.000 . 5.000 4.763 4.194 5.054 0.054 5 0 "[ . 1]" 1
132 1 38 ASN H 1 42 GLY H 4.000 . 4.000 3.740 3.027 4.090 0.090 2 0 "[ . 1]" 1
133 1 38 ASN H 1 43 ASP H 4.000 . 4.000 3.900 2.724 4.143 0.143 5 0 "[ . 1]" 1
134 1 38 ASN H 1 44 ARG H 5.000 . 5.000 4.682 4.270 5.013 0.013 2 0 "[ . 1]" 1
135 1 38 ASN H 1 131 LEU QD 7.400 . 7.400 3.208 2.518 3.932 . 0 0 "[ . 1]" 1
136 1 38 ASN QD 1 126 ILE H 6.000 . 6.000 5.429 5.259 5.512 . 0 0 "[ . 1]" 1
137 1 41 CYS H 1 42 GLY H 4.000 . 4.000 1.988 1.834 2.183 . 0 0 "[ . 1]" 1
138 1 41 CYS H 1 43 ASP H 4.000 . 4.000 3.917 3.609 4.078 0.078 4 0 "[ . 1]" 1
139 1 42 GLY H 1 43 ASP H 4.000 . 4.000 2.455 2.078 3.207 . 0 0 "[ . 1]" 1
140 1 43 ASP H 1 66 CYS H 5.000 . 5.000 5.001 4.814 5.122 0.122 6 0 "[ . 1]" 1
141 1 43 ASP H 1 131 LEU QD 7.400 . 7.400 4.238 3.531 5.141 . 0 0 "[ . 1]" 1
142 1 44 ARG H 1 45 ILE H 5.000 . 5.000 4.098 3.734 4.341 . 0 0 "[ . 1]" 1
143 1 44 ARG H 1 64 GLU H 2.600 . 2.600 2.685 2.611 2.772 0.172 4 0 "[ . 1]" 1
144 1 44 ARG H 1 65 GLY H 5.000 . 5.000 4.938 4.672 5.050 0.050 9 0 "[ . 1]" 1
145 1 44 ARG H 1 131 LEU QD 7.400 . 7.400 4.186 3.251 5.054 . 0 0 "[ . 1]" 1
146 1 45 ILE H 1 131 LEU QD 7.400 . 7.400 3.881 3.165 4.740 . 0 0 "[ . 1]" 1
147 1 45 ILE MD 1 47 LEU QD 8.400 . 8.400 3.488 2.911 4.849 . 0 0 "[ . 1]" 1
148 1 45 ILE MD 1 61 PHE QB 7.000 . 7.000 4.128 3.289 4.684 . 0 0 "[ . 1]" 1
149 1 45 ILE MD 1 73 ALA H 6.000 . 6.000 4.153 3.488 4.665 . 0 0 "[ . 1]" 1
150 1 45 ILE MD 1 131 LEU QD 8.400 . 8.400 2.144 1.857 2.470 . 0 0 "[ . 1]" 1
151 1 45 ILE MD 1 132 SER H 6.000 . 6.000 4.407 4.118 4.835 . 0 0 "[ . 1]" 1
152 1 45 ILE MD 1 133 TRP H 7.000 . 7.000 5.553 5.098 5.825 . 0 0 "[ . 1]" 1
153 1 46 ARG H 1 62 GLU H 4.000 . 4.000 3.209 2.706 3.691 . 0 0 "[ . 1]" 1
154 1 47 LEU H 1 48 THR H 4.000 . 4.000 4.111 4.037 4.184 0.184 2 0 "[ . 1]" 1
155 1 47 LEU QD 1 48 THR H 7.400 . 7.400 2.939 2.539 3.591 . 0 0 "[ . 1]" 1
156 1 47 LEU QD 1 56 VAL QG 9.800 . 9.800 4.356 3.893 4.717 . 0 0 "[ . 1]" 1
157 1 47 LEU QD 1 60 LYS H 7.400 . 7.400 3.666 3.042 4.402 . 0 0 "[ . 1]" 1
158 1 47 LEU QD 1 61 PHE H 7.400 . 7.400 4.662 4.075 5.531 . 0 0 "[ . 1]" 1
159 1 47 LEU QD 1 61 PHE QB 8.400 . 8.400 2.630 1.490 3.211 0.310 2 0 "[ . 1]" 1
160 1 47 LEU QD 1 80 ILE MD 8.400 . 8.400 4.732 3.014 5.126 . 0 0 "[ . 1]" 1
161 1 47 LEU QD 1 136 LEU H 7.400 . 7.400 3.950 3.569 4.325 . 0 0 "[ . 1]" 1
162 1 47 LEU QD 1 136 LEU QD 9.800 . 9.800 2.009 1.721 2.416 0.079 9 0 "[ . 1]" 1
163 1 47 LEU QD 1 140 VAL H 7.400 . 7.400 4.903 4.499 5.480 . 0 0 "[ . 1]" 1
164 1 47 LEU QD 1 140 VAL QG 9.800 . 9.800 4.018 3.494 4.540 . 0 0 "[ . 1]" 1
165 1 48 THR H 1 48 THR HG1 5.000 . 5.000 1.853 1.761 2.281 0.039 2 0 "[ . 1]" 1
166 1 48 THR H 1 49 MET H 4.600 . 4.600 4.218 4.020 4.418 . 0 0 "[ . 1]" 1
167 1 48 THR H 1 60 LYS H 2.700 . 2.700 2.816 2.779 2.844 0.144 2 0 "[ . 1]" 1
168 1 48 THR H 1 61 PHE H 5.000 . 5.000 4.820 4.599 4.946 . 0 0 "[ . 1]" 1
169 1 50 LYS H 1 51 LEU H 4.000 . 4.000 3.781 3.621 3.883 . 0 0 "[ . 1]" 1
170 1 50 LYS H 1 51 LEU QD 7.400 . 7.400 4.828 4.302 5.208 . 0 0 "[ . 1]" 1
171 1 50 LYS H 1 56 VAL QG 7.400 . 7.400 3.657 3.360 4.137 . 0 0 "[ . 1]" 1
172 1 50 LYS H 1 57 GLU H 4.000 . 4.000 4.041 4.028 4.081 0.081 4 0 "[ . 1]" 1
173 1 50 LYS H 1 58 ASP H 2.700 . 2.700 2.724 2.622 2.833 0.133 2 0 "[ . 1]" 1
174 1 51 LEU H 1 52 ASP H 5.000 . 5.000 4.180 3.915 4.426 . 0 0 "[ . 1]" 1
175 1 51 LEU H 1 55 ILE MD 6.000 . 6.000 4.984 4.929 5.062 . 0 0 "[ . 1]" 1
176 1 51 LEU H 1 57 GLU H 5.000 . 5.000 4.572 4.150 4.844 . 0 0 "[ . 1]" 1
177 1 51 LEU H 1 58 ASP H 5.000 . 5.000 5.037 4.964 5.086 0.086 4 0 "[ . 1]" 1
178 1 51 LEU QD 1 52 ASP H 7.400 . 7.400 4.159 3.718 4.381 . 0 0 "[ . 1]" 1
179 1 51 LEU QD 1 53 GLY H 7.400 . 7.400 3.251 2.242 4.024 . 0 0 "[ . 1]" 1
180 1 51 LEU QD 1 55 ILE MD 8.400 . 8.400 4.182 3.624 4.586 . 0 0 "[ . 1]" 1
181 1 51 LEU QD 1 56 VAL H 7.400 . 7.400 5.387 4.979 5.555 . 0 0 "[ . 1]" 1
182 1 51 LEU QD 1 56 VAL MG1 8.400 . 8.400 4.279 3.876 4.721 . 0 0 "[ . 1]" 1
183 1 51 LEU QD 1 56 VAL MG2 8.400 . 8.400 3.553 3.081 4.081 . 0 0 "[ . 1]" 1
184 1 51 LEU QD 1 57 GLU H 7.400 . 7.400 4.920 4.660 5.176 . 0 0 "[ . 1]" 1
185 1 51 LEU QD 1 85 ILE MD 8.400 . 8.400 2.314 1.926 2.452 . 0 0 "[ . 1]" 1
186 1 51 LEU QD 1 140 VAL QG 9.800 . 9.800 2.894 2.089 3.475 . 0 0 "[ . 1]" 1
187 1 52 ASP H 1 53 GLY H 5.000 . 5.000 3.484 3.393 3.579 . 0 0 "[ . 1]" 1
188 1 52 ASP H 1 54 ASP H 5.000 . 5.000 5.025 4.967 5.079 0.079 6 0 "[ . 1]" 1
189 1 52 ASP H 1 55 ILE H 4.000 . 4.000 4.039 3.918 4.107 0.107 9 0 "[ . 1]" 1
190 1 52 ASP H 1 55 ILE MD 6.000 . 6.000 2.077 1.847 2.301 . 0 0 "[ . 1]" 1
191 1 52 ASP H 1 57 GLU H 4.000 . 4.000 3.615 3.087 4.021 0.021 2 0 "[ . 1]" 1
192 1 52 ASP H 1 58 ASP H 5.000 . 5.000 5.039 4.860 5.123 0.123 6 0 "[ . 1]" 1
193 1 53 GLY H 1 55 ILE H 4.000 . 4.000 3.916 3.770 4.046 0.046 8 0 "[ . 1]" 1
194 1 53 GLY H 1 55 ILE MD 6.000 . 6.000 3.734 3.445 4.127 . 0 0 "[ . 1]" 1
195 1 54 ASP H 1 55 ILE H 4.000 . 4.000 2.192 1.907 2.410 . 0 0 "[ . 1]" 1
196 1 54 ASP H 1 55 ILE MD 6.000 . 6.000 3.220 2.340 3.961 . 0 0 "[ . 1]" 1
197 1 55 ILE H 1 56 VAL H 4.000 . 4.000 4.243 4.157 4.288 0.288 10 0 "[ . 1]" 1
198 1 55 ILE H 1 85 ILE MD 6.000 . 6.000 3.392 2.761 4.496 . 0 0 "[ . 1]" 1
199 1 55 ILE MD 1 57 GLU H 6.000 . 6.000 2.895 2.616 3.410 . 0 0 "[ . 1]" 1
200 1 55 ILE MD 1 85 ILE MD 7.000 . 7.000 4.194 3.917 4.504 . 0 0 "[ . 1]" 1
201 1 56 VAL H 1 57 GLU H 5.000 . 5.000 4.128 4.039 4.262 . 0 0 "[ . 1]" 1
202 1 56 VAL H 1 83 LYS H 4.000 . 4.000 4.046 3.914 4.108 0.108 8 0 "[ . 1]" 1
203 1 56 VAL H 1 85 ILE MD 6.000 . 6.000 3.550 2.981 4.370 . 0 0 "[ . 1]" 1
204 1 56 VAL QG 1 57 GLU H 7.400 . 7.400 3.159 2.830 3.361 . 0 0 "[ . 1]" 1
205 1 56 VAL QG 1 58 ASP H 7.400 . 7.400 3.651 2.950 4.150 . 0 0 "[ . 1]" 1
206 1 56 VAL QG 1 80 ILE MD 8.400 . 8.400 2.430 1.848 3.272 . 0 0 "[ . 1]" 1
207 1 56 VAL QG 1 81 LYS H 7.400 . 7.400 3.914 3.613 4.411 . 0 0 "[ . 1]" 1
208 1 56 VAL QG 1 82 GLY H 7.400 . 7.400 4.466 4.176 4.906 . 0 0 "[ . 1]" 1
209 1 56 VAL QG 1 83 LYS H 7.400 . 7.400 3.544 3.174 4.057 . 0 0 "[ . 1]" 1
210 1 56 VAL QG 1 85 ILE H 7.400 . 7.400 4.091 3.270 4.556 . 0 0 "[ . 1]" 1
211 1 56 VAL QG 1 85 ILE MD 8.400 . 8.400 2.241 1.812 2.915 . 0 0 "[ . 1]" 1
212 1 56 VAL QG 1 140 VAL QG 9.800 . 9.800 2.312 1.713 2.962 0.087 3 0 "[ . 1]" 1
213 1 57 GLU H 1 58 ASP H 4.000 . 4.000 2.525 2.126 2.803 . 0 0 "[ . 1]" 1
214 1 59 ALA H 1 60 LYS H 4.300 . 4.300 4.115 3.978 4.322 0.022 3 0 "[ . 1]" 1
215 1 61 PHE H 1 61 PHE QE 6.000 . 6.000 4.033 3.838 4.193 . 0 0 "[ . 1]" 1
216 1 61 PHE HB2 1 62 GLU H 5.000 . 5.000 3.792 3.146 4.152 . 0 0 "[ . 1]" 1
217 1 61 PHE HB3 1 62 GLU H 5.000 . 5.000 4.258 3.976 4.426 . 0 0 "[ . 1]" 1
218 1 61 PHE QB 1 74 SER H 7.000 . 7.000 4.927 4.452 6.221 . 0 0 "[ . 1]" 1
219 1 65 GLY H 1 66 CYS H 5.000 . 5.000 4.085 3.860 4.259 . 0 0 "[ . 1]" 1
220 1 66 CYS H 1 67 SER H 5.000 . 5.000 4.496 4.399 4.567 . 0 0 "[ . 1]" 1
221 1 66 CYS H 1 68 ILE H 5.000 . 5.000 5.011 4.822 5.052 0.052 2 0 "[ . 1]" 1
222 1 66 CYS H 1 69 SER H 4.000 . 4.000 3.803 3.626 4.024 0.024 3 0 "[ . 1]" 1
223 1 66 CYS H 1 69 SER HG 5.000 . 5.000 2.890 2.236 4.027 . 0 0 "[ . 1]" 1
224 1 66 CYS H 1 70 MET H 4.000 . 4.000 4.077 4.044 4.152 0.152 6 0 "[ . 1]" 1
225 1 67 SER H 1 68 ILE H 4.000 . 4.000 2.822 2.661 3.099 . 0 0 "[ . 1]" 1
226 1 67 SER H 1 68 ILE MD 6.000 . 6.000 4.742 3.905 4.999 . 0 0 "[ . 1]" 1
227 1 67 SER H 1 69 SER H 5.000 . 5.000 4.312 4.076 4.515 . 0 0 "[ . 1]" 1
228 1 68 ILE H 1 69 SER H 4.000 . 4.000 2.528 2.339 2.640 . 0 0 "[ . 1]" 1
229 1 68 ILE H 1 69 SER HG 5.000 . 5.000 4.538 3.787 5.037 0.037 1 0 "[ . 1]" 1
230 1 68 ILE H 1 70 MET H 5.000 . 5.000 4.280 4.037 4.531 . 0 0 "[ . 1]" 1
231 1 68 ILE MD 1 70 MET H 6.000 . 6.000 4.154 4.025 4.347 . 0 0 "[ . 1]" 1
232 1 68 ILE MD 1 72 SER H 6.000 . 6.000 4.823 4.638 4.987 . 0 0 "[ . 1]" 1
233 1 68 ILE MD 1 116 LEU QD 8.400 . 8.400 4.278 3.681 4.702 . 0 0 "[ . 1]" 1
234 1 68 ILE MD 1 119 VAL QG 5.000 . 5.000 2.283 1.747 2.856 0.053 9 0 "[ . 1]" 1
235 1 68 ILE MD 1 131 LEU MD1 7.000 . 7.000 4.647 4.509 4.729 . 0 0 "[ . 1]" 1
236 1 68 ILE MD 1 131 LEU MD2 7.000 . 7.000 4.491 3.881 4.692 . 0 0 "[ . 1]" 1
237 1 69 SER H 1 69 SER HG 5.000 . 5.000 2.515 1.896 3.045 . 0 0 "[ . 1]" 1
238 1 69 SER H 1 70 MET H 4.000 . 4.000 2.503 2.352 2.732 . 0 0 "[ . 1]" 1
239 1 69 SER H 1 71 ALA H 5.000 . 5.000 3.624 3.476 3.930 . 0 0 "[ . 1]" 1
240 1 69 SER H 1 72 SER H 4.900 . 4.900 4.641 4.441 4.758 . 0 0 "[ . 1]" 1
241 1 69 SER HG 1 70 MET H 5.000 . 5.000 2.903 2.180 3.875 . 0 0 "[ . 1]" 1
242 1 69 SER HG 1 71 ALA H 5.000 . 5.000 4.838 4.442 5.108 0.108 2 0 "[ . 1]" 1
243 1 70 MET H 1 71 ALA H 3.000 . 3.000 2.492 2.399 2.693 . 0 0 "[ . 1]" 1
244 1 70 MET H 1 72 SER H 4.400 . 4.400 4.413 4.281 4.517 0.117 6 0 "[ . 1]" 1
245 1 70 MET H 1 73 ALA H 5.100 . 5.100 5.121 5.052 5.164 0.064 2 0 "[ . 1]" 1
246 1 71 ALA H 1 72 SER H 2.900 . 2.900 2.456 2.387 2.501 . 0 0 "[ . 1]" 1
247 1 71 ALA H 1 73 ALA H 4.300 . 4.300 4.008 3.879 4.122 . 0 0 "[ . 1]" 1
248 1 71 ALA H 1 74 SER H 5.000 . 5.000 4.823 4.660 5.018 0.018 4 0 "[ . 1]" 1
249 1 72 SER H 1 73 ALA H 2.750 . 2.750 2.707 2.533 2.777 0.027 8 0 "[ . 1]" 1
250 1 72 SER H 1 74 SER H 5.000 . 5.000 4.361 4.132 4.677 . 0 0 "[ . 1]" 1
251 1 72 SER H 1 116 LEU QD 7.400 . 7.400 4.874 4.634 5.121 . 0 0 "[ . 1]" 1
252 1 73 ALA H 1 75 MET H 5.000 . 5.000 4.060 3.804 4.223 . 0 0 "[ . 1]" 1
253 1 73 ALA H 1 76 MET H 4.700 . 4.700 4.749 4.677 4.786 0.086 4 0 "[ . 1]" 1
254 1 73 ALA H 1 116 LEU QD 7.400 . 7.400 4.598 4.067 4.959 . 0 0 "[ . 1]" 1
255 1 73 ALA H 1 136 LEU QD 7.400 . 7.400 5.370 4.965 5.450 . 0 0 "[ . 1]" 1
256 1 74 SER H 1 75 MET H 5.000 . 5.000 2.630 2.539 2.775 . 0 0 "[ . 1]" 1
257 1 74 SER H 1 76 MET H 5.000 . 5.000 4.323 4.119 4.500 . 0 0 "[ . 1]" 1
258 1 74 SER H 1 77 THR H 5.000 . 5.000 4.693 4.494 4.831 . 0 0 "[ . 1]" 1
259 1 75 MET H 1 76 MET H 2.800 . 2.800 2.507 2.379 2.607 . 0 0 "[ . 1]" 1
260 1 75 MET H 1 77 THR H 4.400 . 4.400 3.788 3.640 3.969 . 0 0 "[ . 1]" 1
261 1 75 MET H 1 136 LEU QD 7.400 . 7.400 5.480 5.211 5.555 . 0 0 "[ . 1]" 1
262 1 76 MET H 1 77 THR H 3.000 . 3.000 2.596 2.496 2.682 . 0 0 "[ . 1]" 1
263 1 76 MET H 1 78 GLN H 4.500 . 4.500 3.969 3.901 4.037 . 0 0 "[ . 1]" 1
264 1 77 THR H 1 77 THR HG1 5.000 . 5.000 2.175 2.097 2.332 . 0 0 "[ . 1]" 1
265 1 77 THR H 1 78 GLN H 3.100 . 3.100 2.552 2.469 2.653 . 0 0 "[ . 1]" 1
266 1 77 THR H 1 79 ALA H 4.300 . 4.300 4.234 4.098 4.318 0.018 10 0 "[ . 1]" 1
267 1 78 GLN H 1 79 ALA H 2.850 . 2.850 2.414 2.298 2.517 . 0 0 "[ . 1]" 1
268 1 78 GLN H 1 80 ILE H 3.500 . 3.500 3.594 3.547 3.674 0.174 4 0 "[ . 1]" 1
269 1 79 ALA H 1 81 LYS H 4.000 . 4.000 3.971 3.756 4.044 0.044 1 0 "[ . 1]" 1
270 1 79 ALA H 1 136 LEU QD 7.400 . 7.400 5.037 4.668 5.416 . 0 0 "[ . 1]" 1
271 1 80 ILE H 1 81 LYS H 4.000 . 4.000 2.459 2.322 2.606 . 0 0 "[ . 1]" 1
272 1 80 ILE MD 1 81 LYS H 6.000 . 6.000 4.274 2.848 4.647 . 0 0 "[ . 1]" 1
273 1 80 ILE MD 1 82 GLY H 6.000 . 6.000 4.754 4.451 4.892 . 0 0 "[ . 1]" 1
274 1 80 ILE MD 1 83 LYS H 6.000 . 6.000 4.296 3.865 4.827 . 0 0 "[ . 1]" 1
275 1 80 ILE MD 1 85 ILE MD 7.000 . 7.000 4.654 4.300 4.820 . 0 0 "[ . 1]" 1
276 1 80 ILE MD 1 136 LEU MD1 7.000 . 7.000 4.043 2.749 4.851 . 0 0 "[ . 1]" 1
277 1 80 ILE MD 1 136 LEU MD2 7.000 . 7.000 4.044 3.497 4.890 . 0 0 "[ . 1]" 1
278 1 80 ILE MD 1 140 VAL QG 8.400 . 8.400 2.454 1.768 3.467 0.032 10 0 "[ . 1]" 1
279 1 81 LYS H 1 82 GLY H 5.000 . 5.000 2.670 2.592 2.750 . 0 0 "[ . 1]" 1
280 1 81 LYS H 1 136 LEU QD 7.400 . 7.400 5.240 4.644 5.419 . 0 0 "[ . 1]" 1
281 1 82 GLY H 1 83 LYS H 4.000 . 4.000 2.758 2.508 3.033 . 0 0 "[ . 1]" 1
282 1 84 ASP H 1 85 ILE H 4.000 . 4.000 4.203 4.152 4.262 0.262 6 0 "[ . 1]" 1
283 1 84 ASP H 1 85 ILE MD 6.000 . 6.000 4.809 4.753 4.859 . 0 0 "[ . 1]" 1
284 1 84 ASP H 1 88 ALA H 5.000 . 5.000 3.838 3.508 4.198 . 0 0 "[ . 1]" 1
285 1 85 ILE H 1 86 GLU H 2.600 . 2.600 2.411 2.279 2.604 0.004 2 0 "[ . 1]" 1
286 1 85 ILE H 1 87 THR H 4.200 . 4.200 3.868 3.493 4.154 . 0 0 "[ . 1]" 1
287 1 85 ILE MD 1 86 GLU H 6.000 . 6.000 4.171 3.740 4.432 . 0 0 "[ . 1]" 1
288 1 85 ILE MD 1 140 VAL QG 8.400 . 8.400 2.771 1.891 3.409 . 0 0 "[ . 1]" 1
289 1 86 GLU H 1 87 THR H 2.720 . 2.720 2.673 2.504 2.739 0.019 1 0 "[ . 1]" 1
290 1 86 GLU H 1 88 ALA H 4.000 . 4.000 3.916 3.624 4.020 0.020 9 0 "[ . 1]" 1
291 1 86 GLU H 1 89 LEU QD 7.400 . 7.400 4.386 4.182 4.678 . 0 0 "[ . 1]" 1
292 1 87 THR H 1 88 ALA H 2.730 . 2.730 2.499 2.414 2.636 . 0 0 "[ . 1]" 1
293 1 88 ALA H 1 89 LEU QD 7.400 . 7.400 4.129 3.629 4.746 . 0 0 "[ . 1]" 1
294 1 88 ALA H 1 90 SER H 3.900 . 3.900 3.883 3.650 3.942 0.042 5 0 "[ . 1]" 1
295 1 88 ALA H 1 140 VAL QG 7.400 . 7.400 4.568 4.148 5.179 . 0 0 "[ . 1]" 1
296 1 89 LEU H 1 90 SER H 2.610 . 2.610 2.614 2.523 2.641 0.031 5 0 "[ . 1]" 1
297 1 89 LEU H 1 92 SER H 5.000 . 5.000 4.848 4.612 5.036 0.036 7 0 "[ . 1]" 1
298 1 89 LEU H 1 140 VAL QG 7.400 . 7.400 4.412 3.761 4.977 . 0 0 "[ . 1]" 1
299 1 89 LEU QD 1 90 SER H 7.400 . 7.400 3.964 3.792 4.176 . 0 0 "[ . 1]" 1
300 1 89 LEU QD 1 140 VAL H 7.400 . 7.400 5.102 4.887 5.506 . 0 0 "[ . 1]" 1
301 1 89 LEU QD 1 140 VAL QG 9.800 . 9.800 3.137 2.410 4.136 . 0 0 "[ . 1]" 1
302 1 89 LEU QD 1 141 ALA H 7.400 . 7.400 4.223 3.238 4.552 . 0 0 "[ . 1]" 1
303 1 90 SER H 1 92 SER H 5.000 . 5.000 3.973 3.800 4.065 . 0 0 "[ . 1]" 1
304 1 90 SER H 1 93 LYS H 4.400 . 4.400 4.465 4.394 4.564 0.164 6 0 "[ . 1]" 1
305 1 92 SER H 1 93 LYS H 2.750 . 2.750 2.247 2.162 2.346 . 0 0 "[ . 1]" 1
306 1 92 SER H 1 94 ILE H 4.000 . 4.000 3.893 3.705 4.013 0.013 4 0 "[ . 1]" 1
307 1 92 SER H 1 95 PHE H 4.000 . 4.000 4.145 4.113 4.200 0.200 9 0 "[ . 1]" 1
308 1 92 SER H 1 143 GLU H 4.000 . 4.000 4.025 3.826 4.096 0.096 9 0 "[ . 1]" 1
309 1 93 LYS H 1 94 ILE H 2.700 . 2.700 2.717 2.671 2.755 0.055 6 0 "[ . 1]" 1
310 1 93 LYS H 1 95 PHE H 4.100 . 4.100 3.719 3.611 3.897 . 0 0 "[ . 1]" 1
311 1 93 LYS H 1 95 PHE QB 6.000 . 6.000 4.432 4.295 4.598 . 0 0 "[ . 1]" 1
312 1 93 LYS H 1 143 GLU H 4.000 . 4.000 3.639 2.840 4.117 0.117 6 0 "[ . 1]" 1
313 1 94 ILE H 1 95 PHE H 3.000 . 3.000 2.489 2.389 2.700 . 0 0 "[ . 1]" 1
314 1 94 ILE H 1 95 PHE HB2 5.000 . 5.000 4.749 4.507 5.017 0.017 3 0 "[ . 1]" 1
315 1 94 ILE H 1 95 PHE HB3 5.000 . 5.000 4.885 4.696 5.009 0.009 4 0 "[ . 1]" 1
316 1 94 ILE H 1 96 SER H 4.400 . 4.400 4.287 4.010 4.413 0.013 9 0 "[ . 1]" 1
317 1 94 ILE MD 1 95 PHE H 6.000 . 6.000 4.632 4.105 4.989 . 0 0 "[ . 1]" 1
318 1 94 ILE MD 1 104 TYR QD 8.200 . 8.200 3.264 1.968 4.853 . 0 0 "[ . 1]" 1
319 1 94 ILE MD 1 105 ASP H 6.000 . 6.000 3.606 1.821 4.786 . 0 0 "[ . 1]" 1
320 1 94 ILE MD 1 106 ASP H 6.000 . 6.000 3.029 1.425 4.959 0.375 2 0 "[ . 1]" 1
321 1 94 ILE MD 1 107 SER H 6.000 . 6.000 4.253 3.418 4.950 . 0 0 "[ . 1]" 1
322 1 94 ILE MD 1 108 ILE H 6.000 . 6.000 4.878 4.619 4.999 . 0 0 "[ . 1]" 1
323 1 95 PHE H 1 95 PHE HB2 4.000 . 4.000 2.459 2.371 2.601 . 0 0 "[ . 1]" 1
324 1 95 PHE H 1 95 PHE HB3 4.000 . 4.000 2.655 2.497 2.739 . 0 0 "[ . 1]" 1
325 1 95 PHE H 1 96 SER H 3.200 . 3.200 2.752 2.536 2.856 . 0 0 "[ . 1]" 1
326 1 95 PHE H 1 97 ASP H 4.600 . 4.600 3.874 3.681 4.113 . 0 0 "[ . 1]" 1
327 1 95 PHE HB2 1 96 SER H 4.000 . 4.000 3.798 3.670 3.915 . 0 0 "[ . 1]" 1
328 1 95 PHE HB3 1 96 SER H 4.000 . 4.000 2.548 2.425 2.909 . 0 0 "[ . 1]" 1
329 1 95 PHE QD 1 96 SER H 7.200 . 7.200 3.611 3.408 4.229 . 0 0 "[ . 1]" 1
330 1 95 PHE HE1 1 116 LEU QD 9.600 . 9.600 3.924 2.900 5.038 . 0 0 "[ . 1]" 1
331 1 96 SER H 1 97 ASP H 3.000 . 3.000 2.409 2.278 2.629 . 0 0 "[ . 1]" 1
332 1 96 SER H 1 98 MET H 5.000 . 5.000 4.098 3.930 4.301 . 0 0 "[ . 1]" 1
333 1 97 ASP H 1 98 MET H 4.000 . 4.000 2.591 2.367 2.839 . 0 0 "[ . 1]" 1
334 1 98 MET H 1 99 MET H 4.000 . 4.000 2.780 2.634 2.897 . 0 0 "[ . 1]" 1
335 1 98 MET H 1 100 GLN H 5.000 . 5.000 4.324 3.876 4.911 . 0 0 "[ . 1]" 1
336 1 98 MET H 1 104 TYR QD 7.200 . 7.200 5.581 4.800 6.196 . 0 0 "[ . 1]" 1
337 1 99 MET H 1 100 GLN H 4.000 . 4.000 2.524 2.365 2.764 . 0 0 "[ . 1]" 1
338 1 99 MET H 1 101 GLY H 4.000 . 4.000 3.971 3.539 4.037 0.037 2 0 "[ . 1]" 1
339 1 99 MET H 1 102 LYS H 5.000 . 5.000 4.638 3.741 5.034 0.034 3 0 "[ . 1]" 1
340 1 100 GLN H 1 100 GLN QE 6.000 . 6.000 4.127 3.492 4.754 . 0 0 "[ . 1]" 1
341 1 100 GLN H 1 101 GLY H 4.000 . 4.000 2.098 1.864 2.355 . 0 0 "[ . 1]" 1
342 1 100 GLN H 1 102 LYS H 4.000 . 4.000 3.702 3.057 4.071 0.071 1 0 "[ . 1]" 1
343 1 101 GLY H 1 102 LYS H 4.000 . 4.000 2.555 2.121 2.821 . 0 0 "[ . 1]" 1
344 1 102 LYS H 1 103 GLU H 5.000 . 5.000 3.127 2.389 4.363 . 0 0 "[ . 1]" 1
345 1 102 LYS H 1 104 TYR QD 7.200 . 7.200 4.918 3.292 6.320 . 0 0 "[ . 1]" 1
346 1 104 TYR H 1 104 TYR HB2 4.000 . 4.000 3.697 2.852 4.062 0.062 3 0 "[ . 1]" 1
347 1 104 TYR H 1 104 TYR HB3 4.000 . 4.000 3.522 2.955 3.821 . 0 0 "[ . 1]" 1
348 1 104 TYR H 1 104 TYR QE 6.000 . 6.000 4.357 3.790 4.734 . 0 0 "[ . 1]" 1
349 1 104 TYR H 1 105 ASP H 4.000 . 4.000 4.112 3.970 4.240 0.240 4 0 "[ . 1]" 1
350 1 104 TYR H 1 110 LEU QD 7.400 . 7.400 4.298 2.836 5.420 . 0 0 "[ . 1]" 1
351 1 104 TYR HB2 1 105 ASP H 4.000 . 4.000 2.575 1.728 3.403 0.072 8 0 "[ . 1]" 1
352 1 104 TYR HB3 1 105 ASP H 4.000 . 4.000 3.500 2.036 4.078 0.078 3 0 "[ . 1]" 1
353 1 104 TYR QB 1 106 ASP H 6.000 . 6.000 4.504 3.138 5.286 . 0 0 "[ . 1]" 1
354 1 104 TYR QD 1 105 ASP H 7.200 . 7.200 3.751 2.007 4.547 . 0 0 "[ . 1]" 1
355 1 104 TYR QD 1 106 ASP H 7.200 . 7.200 3.994 3.505 4.292 . 0 0 "[ . 1]" 1
356 1 104 TYR QD 1 110 LEU QD 9.600 . 9.600 3.983 2.695 5.262 . 0 0 "[ . 1]" 1
357 1 104 TYR QE 1 105 ASP H 7.200 . 7.200 5.825 4.352 6.601 . 0 0 "[ . 1]" 1
358 1 104 TYR QE 1 106 ASP H 7.200 . 7.200 5.359 3.385 6.405 . 0 0 "[ . 1]" 1
359 1 104 TYR QE 1 110 LEU QD 9.600 . 9.600 4.576 2.246 6.387 . 0 0 "[ . 1]" 1
360 1 105 ASP H 1 106 ASP H 4.000 . 4.000 3.905 3.273 4.213 0.213 6 0 "[ . 1]" 1
361 1 105 ASP H 1 107 SER H 5.000 . 5.000 4.417 2.900 5.016 0.016 6 0 "[ . 1]" 1
362 1 105 ASP H 1 108 ILE H 4.000 . 4.000 3.741 3.051 4.226 0.226 8 0 "[ . 1]" 1
363 1 105 ASP H 1 108 ILE MD 6.000 . 6.000 3.938 2.427 4.868 . 0 0 "[ . 1]" 1
364 1 105 ASP H 1 110 LEU QD 7.400 . 7.400 3.740 2.389 5.468 . 0 0 "[ . 1]" 1
365 1 106 ASP H 1 107 SER H 4.000 . 4.000 3.031 2.238 4.126 0.126 9 0 "[ . 1]" 1
366 1 106 ASP H 1 108 ILE H 4.000 . 4.000 3.963 3.696 4.179 0.179 7 0 "[ . 1]" 1
367 1 107 SER H 1 108 ILE H 4.000 . 4.000 2.383 2.080 2.671 . 0 0 "[ . 1]" 1
368 1 107 SER H 1 108 ILE MD 6.000 . 6.000 4.094 3.222 4.945 . 0 0 "[ . 1]" 1
369 1 107 SER H 1 109 ASP H 5.000 . 5.000 4.113 3.364 5.058 0.058 7 0 "[ . 1]" 1
370 1 107 SER H 1 110 LEU QD 7.400 . 7.400 4.926 4.143 5.482 . 0 0 "[ . 1]" 1
371 1 108 ILE H 1 109 ASP H 4.000 . 4.000 2.728 2.208 3.241 . 0 0 "[ . 1]" 1
372 1 108 ILE H 1 110 LEU MD1 6.000 . 6.000 4.692 3.975 4.895 . 0 0 "[ . 1]" 1
373 1 108 ILE H 1 110 LEU MD2 6.000 . 6.000 4.727 4.093 4.902 . 0 0 "[ . 1]" 1
374 1 108 ILE MD 1 109 ASP H 6.000 . 6.000 4.314 3.392 4.703 . 0 0 "[ . 1]" 1
375 1 108 ILE MD 1 110 LEU QD 8.400 . 8.400 4.538 3.248 5.051 . 0 0 "[ . 1]" 1
376 1 109 ASP H 1 110 LEU H 5.000 . 5.000 4.011 3.489 4.429 . 0 0 "[ . 1]" 1
377 1 109 ASP H 1 110 LEU MD1 6.000 . 6.000 4.378 3.414 4.986 . 0 0 "[ . 1]" 1
378 1 109 ASP H 1 110 LEU MD2 6.000 . 6.000 4.122 3.323 5.071 . 0 0 "[ . 1]" 1
379 1 110 LEU H 1 111 GLY H 3.000 . 3.000 2.437 2.043 3.063 0.063 10 0 "[ . 1]" 1
380 1 110 LEU QD 1 113 ILE H 7.400 . 7.400 4.542 4.094 5.164 . 0 0 "[ . 1]" 1
381 1 110 LEU QD 1 113 ILE MD 8.400 . 8.400 2.625 1.629 4.104 0.171 1 0 "[ . 1]" 1
382 1 111 GLY H 1 112 ASP H 5.000 . 5.000 2.715 2.447 3.053 . 0 0 "[ . 1]" 1
383 1 112 ASP H 1 113 ILE H 3.600 . 3.600 2.556 2.370 2.738 . 0 0 "[ . 1]" 1
384 1 112 ASP H 1 114 GLU H 4.300 . 4.300 4.023 3.804 4.325 0.025 3 0 "[ . 1]" 1
385 1 112 ASP H 1 115 ALA H 5.610 . 5.610 5.085 4.807 5.368 . 0 0 "[ . 1]" 1
386 1 113 ILE H 1 114 GLU H 2.700 . 2.700 2.607 2.379 2.737 0.037 1 0 "[ . 1]" 1
387 1 113 ILE H 1 115 ALA H 4.200 . 4.200 4.139 3.938 4.233 0.033 10 0 "[ . 1]" 1
388 1 113 ILE H 1 116 LEU H 5.000 . 5.000 4.943 4.671 5.072 0.072 10 0 "[ . 1]" 1
389 1 113 ILE H 1 116 LEU QD 7.400 . 7.400 5.038 4.342 5.374 . 0 0 "[ . 1]" 1
390 1 113 ILE MD 1 114 GLU H 6.000 . 6.000 4.742 4.600 4.990 . 0 0 "[ . 1]" 1
391 1 114 GLU H 1 115 ALA H 2.720 . 2.720 2.622 2.449 2.703 . 0 0 "[ . 1]" 1
392 1 115 ALA H 1 116 LEU H 2.800 . 2.800 2.501 2.427 2.583 . 0 0 "[ . 1]" 1
393 1 115 ALA H 1 117 GLN H 4.200 . 4.200 3.982 3.766 4.210 0.010 2 0 "[ . 1]" 1
394 1 116 LEU H 1 117 GLN QE 6.000 . 6.000 5.189 4.541 5.441 . 0 0 "[ . 1]" 1
395 1 116 LEU H 1 118 GLY H 5.000 . 5.000 4.130 3.326 4.692 . 0 0 "[ . 1]" 1
396 1 116 LEU H 1 119 VAL QG 7.400 . 7.400 4.526 4.170 4.747 . 0 0 "[ . 1]" 1
397 1 116 LEU MD1 1 117 GLN H 6.000 . 6.000 4.696 4.468 5.002 . 0 0 "[ . 1]" 1
398 1 116 LEU MD2 1 117 GLN H 6.000 . 6.000 4.572 4.080 4.974 . 0 0 "[ . 1]" 1
399 1 116 LEU QD 1 119 VAL QG 9.800 . 9.800 2.953 2.469 3.222 . 0 0 "[ . 1]" 1
400 1 116 LEU QD 1 120 SER H 7.400 . 7.400 4.990 4.302 5.413 . 0 0 "[ . 1]" 1
401 1 116 LEU QD 1 136 LEU H 7.400 . 7.400 5.441 5.079 5.546 . 0 0 "[ . 1]" 1
402 1 116 LEU QD 1 136 LEU QD 9.800 . 9.800 3.853 3.187 4.281 . 0 0 "[ . 1]" 1
403 1 117 GLN H 1 118 GLY H 3.100 . 3.100 2.717 2.430 2.951 . 0 0 "[ . 1]" 1
404 1 117 GLN H 1 119 VAL H 4.700 . 4.700 4.467 3.934 4.718 0.018 10 0 "[ . 1]" 1
405 1 117 GLN H 1 119 VAL QG 7.400 . 7.400 4.397 3.534 4.723 . 0 0 "[ . 1]" 1
406 1 118 GLY H 1 119 VAL H 3.100 . 3.100 2.677 2.511 2.794 . 0 0 "[ . 1]" 1
407 1 118 GLY H 1 119 VAL QG 7.400 . 7.400 3.622 3.438 3.883 . 0 0 "[ . 1]" 1
408 1 118 GLY H 1 120 SER H 5.000 . 5.000 3.859 3.712 4.064 . 0 0 "[ . 1]" 1
409 1 119 VAL H 1 120 SER H 4.000 . 4.000 2.429 2.308 2.598 . 0 0 "[ . 1]" 1
410 1 119 VAL H 1 121 LYS H 5.000 . 5.000 4.724 4.496 4.969 . 0 0 "[ . 1]" 1
411 1 119 VAL QG 1 120 SER H 7.400 . 7.400 2.697 2.561 3.342 . 0 0 "[ . 1]" 1
412 1 119 VAL QG 1 121 LYS H 7.400 . 7.400 4.187 3.845 4.328 . 0 0 "[ . 1]" 1
413 1 119 VAL QG 1 122 PHE H 7.400 . 7.400 4.619 4.066 4.824 . 0 0 "[ . 1]" 1
414 1 119 VAL QG 1 125 ARG H 7.400 . 7.400 4.840 3.117 5.236 . 0 0 "[ . 1]" 1
415 1 119 VAL QG 1 126 ILE H 7.400 . 7.400 5.104 4.451 5.493 . 0 0 "[ . 1]" 1
416 1 119 VAL QG 1 128 CYS H 7.400 . 7.400 4.449 3.720 5.064 . 0 0 "[ . 1]" 1
417 1 120 SER H 1 121 LYS H 4.000 . 4.000 3.059 2.887 3.233 . 0 0 "[ . 1]" 1
418 1 120 SER H 1 122 PHE H 5.000 . 5.000 4.610 4.354 5.021 0.021 8 0 "[ . 1]" 1
419 1 121 LYS H 1 122 PHE H 4.000 . 4.000 1.867 1.736 2.708 0.064 4 0 "[ . 1]" 1
420 1 121 LYS H 1 122 PHE QB 4.600 . 4.600 3.715 3.146 3.919 . 0 0 "[ . 1]" 1
421 1 121 LYS H 1 122 PHE QE 7.200 . 7.200 5.218 3.983 6.348 . 0 0 "[ . 1]" 1
422 1 121 LYS H 1 125 ARG H 5.000 . 5.000 5.204 5.071 5.251 0.251 7 0 "[ . 1]" 1
423 1 122 PHE H 1 126 ILE H 5.000 . 5.000 4.471 3.790 5.107 0.107 8 0 "[ . 1]" 1
424 1 122 PHE QB 1 125 ARG H 6.000 . 6.000 2.581 2.523 2.641 . 0 0 "[ . 1]" 1
425 1 122 PHE QB 1 126 ILE H 6.000 . 6.000 4.110 3.719 5.283 . 0 0 "[ . 1]" 1
426 1 122 PHE QE 1 125 ARG H 7.200 . 7.200 6.625 6.389 6.691 . 0 0 "[ . 1]" 1
427 1 124 ALA H 1 125 ARG H 5.000 . 5.000 2.376 2.263 2.458 . 0 0 "[ . 1]" 1
428 1 124 ALA H 1 126 ILE H 5.000 . 5.000 3.998 3.697 4.680 . 0 0 "[ . 1]" 1
429 1 125 ARG H 1 126 ILE H 4.000 . 4.000 2.054 1.786 2.949 0.014 5 0 "[ . 1]" 1
430 1 125 ARG H 1 127 LYS H 4.000 . 4.000 4.082 4.021 4.128 0.128 8 0 "[ . 1]" 1
431 1 126 ILE H 1 127 LYS H 5.000 . 5.000 2.388 2.241 2.754 . 0 0 "[ . 1]" 1
432 1 127 LYS H 1 128 CYS H 2.900 . 2.900 2.341 2.184 2.559 . 0 0 "[ . 1]" 1
433 1 127 LYS H 1 129 ALA H 3.700 . 3.700 3.720 3.614 3.765 0.065 10 0 "[ . 1]" 1
434 1 128 CYS H 1 129 ALA H 2.710 . 2.710 2.270 2.213 2.419 . 0 0 "[ . 1]" 1
435 1 128 CYS H 1 130 THR H 4.000 . 4.000 3.989 3.797 4.022 0.022 4 0 "[ . 1]" 1
436 1 128 CYS H 1 131 LEU QD 7.400 . 7.400 4.736 3.872 5.448 . 0 0 "[ . 1]" 1
437 1 129 ALA H 1 130 THR H 2.800 . 2.800 2.505 2.364 2.577 . 0 0 "[ . 1]" 1
438 1 129 ALA H 1 131 LEU H 3.900 . 3.900 3.712 3.539 3.927 0.027 5 0 "[ . 1]" 1
439 1 129 ALA H 1 131 LEU QD 7.400 . 7.400 4.954 4.369 5.385 . 0 0 "[ . 1]" 1
440 1 129 ALA H 1 132 SER H 5.100 . 5.100 4.831 4.591 5.064 . 0 0 "[ . 1]" 1
441 1 130 THR H 1 131 LEU H 2.800 . 2.800 2.622 2.522 2.797 . 0 0 "[ . 1]" 1
442 1 131 LEU H 1 132 SER H 3.300 . 3.300 2.919 2.636 3.095 . 0 0 "[ . 1]" 1
443 1 131 LEU H 1 133 TRP H 4.800 . 4.800 4.270 3.931 4.561 . 0 0 "[ . 1]" 1
444 1 131 LEU QD 1 132 SER H 7.400 . 7.400 2.579 2.379 2.676 . 0 0 "[ . 1]" 1
445 1 131 LEU QD 1 135 ALA H 7.400 . 7.400 4.722 4.352 4.964 . 0 0 "[ . 1]" 1
446 1 132 SER H 1 133 TRP H 3.200 . 3.200 2.628 2.456 2.781 . 0 0 "[ . 1]" 1
447 1 132 SER H 1 134 LYS H 5.000 . 5.000 4.330 4.196 4.586 . 0 0 "[ . 1]" 1
448 1 132 SER H 1 135 ALA H 5.000 . 5.000 4.770 4.675 4.989 . 0 0 "[ . 1]" 1
449 1 133 TRP H 1 134 LYS H 2.700 . 2.700 2.705 2.636 2.752 0.052 10 0 "[ . 1]" 1
450 1 133 TRP H 1 135 ALA H 4.100 . 4.100 3.958 3.832 4.120 0.020 3 0 "[ . 1]" 1
451 1 133 TRP H 1 136 LEU H 5.100 . 5.100 4.931 4.658 5.129 0.029 2 0 "[ . 1]" 1
452 1 134 LYS H 1 135 ALA H 2.700 . 2.700 2.539 2.471 2.600 . 0 0 "[ . 1]" 1
453 1 134 LYS H 1 136 LEU H 4.300 . 4.300 4.162 3.882 4.332 0.032 10 0 "[ . 1]" 1
454 1 134 LYS H 1 137 GLU H 5.100 . 5.100 4.697 4.348 4.992 . 0 0 "[ . 1]" 1
455 1 135 ALA H 1 136 LEU H 2.810 . 2.810 2.545 2.300 2.731 . 0 0 "[ . 1]" 1
456 1 135 ALA H 1 137 GLU H 4.100 . 4.100 4.039 3.788 4.201 0.101 9 0 "[ . 1]" 1
457 1 136 LEU H 1 137 GLU H 2.800 . 2.800 2.357 2.188 2.587 . 0 0 "[ . 1]" 1
458 1 136 LEU H 1 138 LYS H 3.600 . 3.600 3.694 3.644 3.746 0.146 3 0 "[ . 1]" 1
459 1 136 LEU H 1 139 GLY H 5.100 . 5.100 4.574 4.311 4.928 . 0 0 "[ . 1]" 1
460 1 136 LEU MD1 1 137 GLU H 6.000 . 6.000 4.607 4.320 4.770 . 0 0 "[ . 1]" 1
461 1 136 LEU MD1 1 140 VAL QG 8.400 . 8.400 4.205 2.625 5.121 . 0 0 "[ . 1]" 1
462 1 136 LEU MD2 1 137 GLU H 6.000 . 6.000 4.316 3.903 4.841 . 0 0 "[ . 1]" 1
463 1 136 LEU MD2 1 140 VAL QG 8.400 . 8.400 4.572 3.447 5.128 . 0 0 "[ . 1]" 1
464 1 136 LEU QD 1 140 VAL QG 9.800 . 9.800 3.787 2.611 4.565 . 0 0 "[ . 1]" 1
465 1 137 GLU H 1 138 LYS H 2.600 . 2.600 2.576 2.454 2.632 0.032 3 0 "[ . 1]" 1
466 1 137 GLU H 1 139 GLY H 4.100 . 4.100 3.959 3.717 4.121 0.021 2 0 "[ . 1]" 1
467 1 138 LYS H 1 139 GLY H 2.600 . 2.600 2.276 2.030 2.545 . 0 0 "[ . 1]" 1
468 1 139 GLY H 1 140 VAL H 2.900 . 2.900 2.809 2.593 2.912 0.012 1 0 "[ . 1]" 1
469 1 139 GLY H 1 140 VAL QG 7.400 . 7.400 3.906 3.452 4.269 . 0 0 "[ . 1]" 1
470 1 139 GLY H 1 141 ALA H 4.000 . 4.000 3.684 3.467 4.038 0.038 9 0 "[ . 1]" 1
471 1 140 VAL H 1 141 ALA H 4.000 . 4.000 2.239 1.848 2.627 . 0 0 "[ . 1]" 1
472 1 140 VAL MG1 1 141 ALA H 6.000 . 6.000 4.069 2.642 4.432 . 0 0 "[ . 1]" 1
473 1 140 VAL MG2 1 141 ALA H 6.000 . 6.000 3.127 1.630 4.006 0.170 9 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 108
_Distance_constraint_stats_list.Viol_count 125
_Distance_constraint_stats_list.Viol_total 33.576
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0114
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0031
_Distance_constraint_stats_list.Viol_average_violations_only 0.0269
_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 8 ASP 0.130 0.059 5 0 "[ . 1]"
1 9 THR 0.153 0.042 10 0 "[ . 1]"
1 10 LEU 0.003 0.003 4 0 "[ . 1]"
1 11 TYR 0.066 0.035 5 0 "[ . 1]"
1 12 ARG 0.224 0.059 5 0 "[ . 1]"
1 13 GLN 0.162 0.042 10 0 "[ . 1]"
1 14 VAL 0.003 0.003 4 0 "[ . 1]"
1 15 ILE 0.066 0.035 5 0 "[ . 1]"
1 16 MET 0.141 0.030 3 0 "[ . 1]"
1 17 ASP 0.010 0.010 5 0 "[ . 1]"
1 18 HIS 0.000 0.000 . 0 "[ . 1]"
1 19 TYR 0.000 0.000 . 0 "[ . 1]"
1 20 LYS 0.047 0.026 8 0 "[ . 1]"
1 32 ILE 0.000 0.000 . 0 "[ . 1]"
1 34 VAL 0.000 0.000 . 0 "[ . 1]"
1 36 MET 0.042 0.028 9 0 "[ . 1]"
1 44 ARG 0.001 0.001 1 0 "[ . 1]"
1 45 ILE 0.042 0.028 9 0 "[ . 1]"
1 46 ARG 0.114 0.055 2 0 "[ . 1]"
1 47 LEU 0.000 0.000 . 0 "[ . 1]"
1 48 THR 0.014 0.014 8 0 "[ . 1]"
1 49 MET 0.000 0.000 . 0 "[ . 1]"
1 50 LYS 0.041 0.016 8 0 "[ . 1]"
1 54 ASP 0.048 0.048 9 0 "[ . 1]"
1 56 VAL 0.006 0.006 6 0 "[ . 1]"
1 58 ASP 0.041 0.016 8 0 "[ . 1]"
1 60 LYS 0.014 0.014 8 0 "[ . 1]"
1 62 GLU 0.114 0.055 2 0 "[ . 1]"
1 64 GLU 0.001 0.001 1 0 "[ . 1]"
1 68 ILE 0.303 0.068 2 0 "[ . 1]"
1 69 SER 0.105 0.052 6 0 "[ . 1]"
1 71 ALA 0.303 0.068 2 0 "[ . 1]"
1 72 SER 0.020 0.012 8 0 "[ . 1]"
1 73 ALA 0.105 0.052 6 0 "[ . 1]"
1 74 SER 0.198 0.056 4 0 "[ . 1]"
1 75 MET 0.138 0.042 6 0 "[ . 1]"
1 76 MET 0.020 0.012 8 0 "[ . 1]"
1 77 THR 0.000 0.000 . 0 "[ . 1]"
1 78 GLN 0.198 0.056 4 0 "[ . 1]"
1 79 ALA 0.279 0.057 4 0 "[ . 1]"
1 80 ILE 0.031 0.015 9 0 "[ . 1]"
1 81 LYS 0.000 0.000 . 0 "[ . 1]"
1 82 GLY 0.142 0.057 4 0 "[ . 1]"
1 83 LYS 0.036 0.015 9 0 "[ . 1]"
1 84 ASP 0.072 0.016 5 0 "[ . 1]"
1 85 ILE 0.048 0.048 9 0 "[ . 1]"
1 86 GLU 0.102 0.041 5 0 "[ . 1]"
1 87 THR 0.000 0.000 . 0 "[ . 1]"
1 88 ALA 0.173 0.044 7 0 "[ . 1]"
1 89 LEU 0.000 0.000 . 0 "[ . 1]"
1 90 SER 0.102 0.041 5 0 "[ . 1]"
1 91 MET 0.000 0.000 . 0 "[ . 1]"
1 92 SER 0.101 0.044 7 0 "[ . 1]"
1 93 LYS 0.006 0.006 10 0 "[ . 1]"
1 94 ILE 0.000 0.000 . 0 "[ . 1]"
1 95 PHE 0.000 0.000 . 0 "[ . 1]"
1 96 SER 0.000 0.000 . 0 "[ . 1]"
1 97 ASP 0.006 0.006 10 0 "[ . 1]"
1 98 MET 0.000 0.000 . 0 "[ . 1]"
1 125 ARG 0.125 0.101 8 0 "[ . 1]"
1 126 ILE 0.092 0.092 8 0 "[ . 1]"
1 127 LYS 0.181 0.084 8 0 "[ . 1]"
1 128 CYS 0.377 0.101 8 0 "[ . 1]"
1 129 ALA 0.000 0.000 . 0 "[ . 1]"
1 130 THR 0.179 0.092 8 0 "[ . 1]"
1 131 LEU 0.430 0.084 8 0 "[ . 1]"
1 132 SER 0.638 0.086 10 0 "[ . 1]"
1 133 TRP 0.000 0.000 . 0 "[ . 1]"
1 134 LYS 0.087 0.046 8 0 "[ . 1]"
1 135 ALA 0.249 0.062 7 0 "[ . 1]"
1 136 LEU 0.386 0.085 3 0 "[ . 1]"
1 137 GLU 0.000 0.000 . 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 8 ASP O 1 12 ARG N 3.000 2.600 3.500 3.249 2.917 3.484 . 0 0 "[ . 1]" 2
2 1 8 ASP O 1 12 ARG H 2.000 . 2.500 2.370 1.986 2.559 0.059 5 0 "[ . 1]" 2
3 1 9 THR O 1 13 GLN N 3.000 2.600 3.500 3.332 3.017 3.448 . 0 0 "[ . 1]" 2
4 1 9 THR O 1 13 GLN H 2.000 . 2.500 2.464 2.094 2.542 0.042 10 0 "[ . 1]" 2
5 1 10 LEU O 1 14 VAL N 3.000 2.600 3.500 2.753 2.658 2.925 . 0 0 "[ . 1]" 2
6 1 10 LEU O 1 14 VAL H 2.000 . 2.500 1.820 1.697 2.023 0.003 4 0 "[ . 1]" 2
7 1 11 TYR O 1 15 ILE N 3.000 2.600 3.500 2.708 2.626 2.800 . 0 0 "[ . 1]" 2
8 1 11 TYR O 1 15 ILE H 2.000 . 2.500 1.741 1.665 1.848 0.035 5 0 "[ . 1]" 2
9 1 12 ARG O 1 16 MET N 3.000 2.600 3.500 3.184 2.929 3.356 . 0 0 "[ . 1]" 2
10 1 12 ARG O 1 16 MET H 2.000 . 2.500 2.346 2.047 2.530 0.030 3 0 "[ . 1]" 2
11 1 13 GLN O 1 17 ASP N 3.000 2.600 3.500 2.990 2.731 3.428 . 0 0 "[ . 1]" 2
12 1 13 GLN O 1 17 ASP H 2.000 . 2.500 2.040 1.832 2.510 0.010 5 0 "[ . 1]" 2
13 1 14 VAL O 1 18 HIS N 3.000 2.600 3.500 2.968 2.749 3.283 . 0 0 "[ . 1]" 2
14 1 14 VAL O 1 18 HIS H 2.000 . 2.500 2.067 1.902 2.445 . 0 0 "[ . 1]" 2
15 1 15 ILE O 1 19 TYR N 3.000 2.600 3.500 2.858 2.726 2.978 . 0 0 "[ . 1]" 2
16 1 15 ILE O 1 19 TYR H 2.000 . 2.500 2.154 1.953 2.342 . 0 0 "[ . 1]" 2
17 1 16 MET O 1 20 LYS N 3.000 2.600 3.500 3.181 2.970 3.377 . 0 0 "[ . 1]" 2
18 1 16 MET O 1 20 LYS H 2.000 . 2.500 2.349 2.094 2.526 0.026 8 0 "[ . 1]" 2
19 1 32 ILE O 1 49 MET N 3.000 2.600 3.500 2.966 2.794 3.145 . 0 0 "[ . 1]" 2
20 1 32 ILE O 1 49 MET H 2.000 . 2.500 2.148 1.884 2.346 . 0 0 "[ . 1]" 2
21 1 36 MET O 1 45 ILE N 3.000 2.600 3.500 2.924 2.742 3.133 . 0 0 "[ . 1]" 2
22 1 36 MET O 1 45 ILE H 2.000 . 2.500 2.032 1.864 2.350 . 0 0 "[ . 1]" 2
23 1 44 ARG O 1 64 GLU N 3.000 2.600 3.500 2.742 2.646 2.855 . 0 0 "[ . 1]" 2
24 1 44 ARG O 1 64 GLU H 2.000 . 2.500 1.850 1.702 2.093 . 0 0 "[ . 1]" 2
25 1 36 MET N 1 45 ILE O 3.000 2.600 3.500 3.145 2.819 3.393 . 0 0 "[ . 1]" 2
26 1 36 MET H 1 45 ILE O 2.000 . 2.500 2.329 1.952 2.528 0.028 9 0 "[ . 1]" 2
27 1 46 ARG O 1 62 GLU N 3.000 2.600 3.500 2.946 2.754 3.298 . 0 0 "[ . 1]" 2
28 1 46 ARG O 1 62 GLU H 2.000 . 2.500 2.093 1.817 2.555 0.055 2 0 "[ . 1]" 2
29 1 34 VAL N 1 47 LEU O 3.000 2.600 3.500 2.910 2.772 3.129 . 0 0 "[ . 1]" 2
30 1 34 VAL H 1 47 LEU O 2.000 . 2.500 1.945 1.803 2.200 . 0 0 "[ . 1]" 2
31 1 48 THR O 1 60 LYS N 3.000 2.600 3.500 2.664 2.628 2.722 . 0 0 "[ . 1]" 2
32 1 48 THR O 1 60 LYS H 2.000 . 2.500 1.732 1.686 1.803 0.014 8 0 "[ . 1]" 2
33 1 50 LYS O 1 58 ASP N 3.000 2.600 3.500 3.300 3.112 3.491 . 0 0 "[ . 1]" 2
34 1 50 LYS O 1 58 ASP H 2.000 . 2.500 2.348 2.131 2.511 0.011 9 0 "[ . 1]" 2
35 1 54 ASP O 1 85 ILE N 3.000 2.600 3.500 3.074 2.819 3.440 . 0 0 "[ . 1]" 2
36 1 54 ASP O 1 85 ILE H 2.000 . 2.500 2.200 1.910 2.548 0.048 9 0 "[ . 1]" 2
37 1 50 LYS N 1 58 ASP O 3.000 2.600 3.500 2.718 2.648 2.797 . 0 0 "[ . 1]" 2
38 1 50 LYS H 1 58 ASP O 2.000 . 2.500 1.778 1.684 1.895 0.016 8 0 "[ . 1]" 2
39 1 48 THR N 1 60 LYS O 3.000 2.600 3.500 2.774 2.694 2.892 . 0 0 "[ . 1]" 2
40 1 48 THR H 1 60 LYS O 2.000 . 2.500 1.804 1.719 1.920 . 0 0 "[ . 1]" 2
41 1 46 ARG N 1 62 GLU O 3.000 2.600 3.500 2.818 2.671 3.496 . 0 0 "[ . 1]" 2
42 1 46 ARG H 1 62 GLU O 2.000 . 2.500 1.851 1.688 2.524 0.024 2 0 "[ . 1]" 2
43 1 44 ARG N 1 64 GLU O 3.000 2.600 3.500 2.972 2.645 3.176 . 0 0 "[ . 1]" 2
44 1 44 ARG H 1 64 GLU O 2.000 . 2.500 2.024 1.699 2.250 0.001 1 0 "[ . 1]" 2
45 1 68 ILE O 1 71 ALA N 3.000 2.600 3.500 3.236 3.194 3.284 . 0 0 "[ . 1]" 2
46 1 68 ILE O 1 71 ALA H 2.000 . 2.500 2.530 2.495 2.568 0.068 2 0 "[ . 1]" 2
47 1 69 SER O 1 73 ALA N 3.000 2.600 3.500 3.319 3.180 3.423 . 0 0 "[ . 1]" 2
48 1 69 SER O 1 73 ALA H 2.000 . 2.500 2.408 2.238 2.552 0.052 6 0 "[ . 1]" 2
49 1 71 ALA O 1 75 MET N 3.000 2.600 3.500 3.056 2.820 3.308 . 0 0 "[ . 1]" 2
50 1 71 ALA O 1 75 MET H 2.000 . 2.500 2.227 2.054 2.496 . 0 0 "[ . 1]" 2
51 1 72 SER O 1 76 MET N 3.000 2.600 3.500 2.796 2.670 2.879 . 0 0 "[ . 1]" 2
52 1 72 SER O 1 76 MET H 2.000 . 2.500 1.820 1.688 1.917 0.012 8 0 "[ . 1]" 2
53 1 73 ALA O 1 77 THR N 3.000 2.600 3.500 2.874 2.767 3.071 . 0 0 "[ . 1]" 2
54 1 73 ALA O 1 77 THR H 2.000 . 2.500 1.991 1.833 2.227 . 0 0 "[ . 1]" 2
55 1 74 SER O 1 78 GLN N 3.000 2.600 3.500 3.160 3.084 3.261 . 0 0 "[ . 1]" 2
56 1 74 SER O 1 78 GLN H 2.000 . 2.500 2.516 2.471 2.556 0.056 4 0 "[ . 1]" 2
57 1 75 MET O 1 79 ALA N 3.000 2.600 3.500 3.295 2.805 3.463 . 0 0 "[ . 1]" 2
58 1 75 MET O 1 79 ALA H 2.000 . 2.500 2.375 1.841 2.542 0.042 6 0 "[ . 1]" 2
59 1 76 MET O 1 80 ILE N 3.000 2.600 3.500 2.927 2.735 3.236 . 0 0 "[ . 1]" 2
60 1 76 MET O 1 80 ILE H 2.000 . 2.500 2.093 1.891 2.351 . 0 0 "[ . 1]" 2
61 1 77 THR O 1 81 LYS N 3.000 2.600 3.500 2.814 2.669 3.046 . 0 0 "[ . 1]" 2
62 1 77 THR O 1 81 LYS H 2.000 . 2.500 2.023 1.783 2.390 . 0 0 "[ . 1]" 2
63 1 79 ALA O 1 82 GLY N 3.000 2.600 3.500 3.352 3.087 3.500 0.000 4 0 "[ . 1]" 2
64 1 79 ALA O 1 82 GLY H 2.000 . 2.500 2.467 2.251 2.557 0.057 4 0 "[ . 1]" 2
65 1 80 ILE O 1 83 LYS N 3.000 2.600 3.500 3.101 2.968 3.328 . 0 0 "[ . 1]" 2
66 1 80 ILE O 1 83 LYS H 2.000 . 2.500 2.316 2.102 2.515 0.015 9 0 "[ . 1]" 2
67 1 56 VAL N 1 83 LYS O 3.000 2.600 3.500 3.112 2.916 3.404 . 0 0 "[ . 1]" 2
68 1 56 VAL H 1 83 LYS O 2.000 . 2.500 2.212 1.995 2.506 0.006 6 0 "[ . 1]" 2
69 1 84 ASP O 1 88 ALA N 3.000 2.600 3.500 3.094 2.661 3.315 . 0 0 "[ . 1]" 2
70 1 84 ASP O 1 88 ALA H 2.000 . 2.500 2.356 1.775 2.516 0.016 5 0 "[ . 1]" 2
71 1 85 ILE O 1 89 LEU N 3.000 2.600 3.500 2.934 2.748 3.201 . 0 0 "[ . 1]" 2
72 1 85 ILE O 1 89 LEU H 2.000 . 2.500 1.987 1.782 2.231 . 0 0 "[ . 1]" 2
73 1 86 GLU O 1 90 SER N 3.000 2.600 3.500 3.242 2.826 3.492 . 0 0 "[ . 1]" 2
74 1 86 GLU O 1 90 SER H 2.000 . 2.500 2.380 1.928 2.541 0.041 5 0 "[ . 1]" 2
75 1 87 THR O 1 91 MET N 3.000 2.600 3.500 2.877 2.702 3.223 . 0 0 "[ . 1]" 2
76 1 87 THR O 1 91 MET H 2.000 . 2.500 2.104 1.929 2.385 . 0 0 "[ . 1]" 2
77 1 88 ALA O 1 92 SER N 3.000 2.600 3.500 3.097 2.776 3.324 . 0 0 "[ . 1]" 2
78 1 88 ALA O 1 92 SER H 2.000 . 2.500 2.316 1.950 2.544 0.044 7 0 "[ . 1]" 2
79 1 89 LEU O 1 93 LYS N 3.000 2.600 3.500 2.891 2.685 3.188 . 0 0 "[ . 1]" 2
80 1 89 LEU O 1 93 LYS H 2.000 . 2.500 2.016 1.757 2.296 . 0 0 "[ . 1]" 2
81 1 90 SER O 1 94 ILE N 3.000 2.600 3.500 2.805 2.692 2.960 . 0 0 "[ . 1]" 2
82 1 90 SER O 1 94 ILE H 2.000 . 2.500 1.856 1.728 1.997 . 0 0 "[ . 1]" 2
83 1 91 MET O 1 95 PHE N 3.000 2.600 3.500 2.843 2.735 2.981 . 0 0 "[ . 1]" 2
84 1 91 MET O 1 95 PHE H 2.000 . 2.500 2.114 1.954 2.284 . 0 0 "[ . 1]" 2
85 1 92 SER O 1 96 SER N 3.000 2.600 3.500 2.990 2.762 3.352 . 0 0 "[ . 1]" 2
86 1 92 SER O 1 96 SER H 2.000 . 2.500 2.074 1.864 2.444 . 0 0 "[ . 1]" 2
87 1 93 LYS O 1 97 ASP N 3.000 2.600 3.500 2.985 2.714 3.277 . 0 0 "[ . 1]" 2
88 1 93 LYS O 1 97 ASP H 2.000 . 2.500 2.160 1.887 2.506 0.006 10 0 "[ . 1]" 2
89 1 94 ILE O 1 98 MET N 3.000 2.600 3.500 2.819 2.680 3.077 . 0 0 "[ . 1]" 2
90 1 94 ILE O 1 98 MET H 2.000 . 2.500 1.983 1.725 2.268 . 0 0 "[ . 1]" 2
91 1 125 ARG O 1 128 CYS N 3.000 2.600 3.500 3.101 2.961 3.253 . 0 0 "[ . 1]" 2
92 1 125 ARG O 1 128 CYS H 2.000 . 2.500 2.437 2.289 2.601 0.101 8 0 "[ . 1]" 2
93 1 126 ILE O 1 130 THR N 3.000 2.600 3.500 2.992 2.727 3.416 . 0 0 "[ . 1]" 2
94 1 126 ILE O 1 130 THR H 2.000 . 2.500 2.051 1.817 2.592 0.092 8 0 "[ . 1]" 2
95 1 127 LYS O 1 131 LEU N 3.000 2.600 3.500 3.190 2.780 3.507 0.007 8 0 "[ . 1]" 2
96 1 127 LYS O 1 131 LEU H 2.000 . 2.500 2.369 1.874 2.584 0.084 8 0 "[ . 1]" 2
97 1 128 CYS O 1 132 SER N 3.000 2.600 3.500 3.318 3.043 3.521 0.021 10 0 "[ . 1]" 2
98 1 128 CYS O 1 132 SER H 2.000 . 2.500 2.378 2.082 2.586 0.086 10 0 "[ . 1]" 2
99 1 129 ALA O 1 133 TRP N 3.000 2.600 3.500 2.827 2.655 3.100 . 0 0 "[ . 1]" 2
100 1 129 ALA O 1 133 TRP H 2.000 . 2.500 1.912 1.713 2.118 . 0 0 "[ . 1]" 2
101 1 130 THR O 1 134 LYS N 3.000 2.600 3.500 2.929 2.695 3.284 . 0 0 "[ . 1]" 2
102 1 130 THR O 1 134 LYS H 2.000 . 2.500 2.084 1.734 2.546 0.046 8 0 "[ . 1]" 2
103 1 131 LEU O 1 135 ALA N 3.000 2.600 3.500 3.224 3.005 3.389 . 0 0 "[ . 1]" 2
104 1 131 LEU O 1 135 ALA H 2.000 . 2.500 2.432 2.116 2.562 0.062 7 0 "[ . 1]" 2
105 1 132 SER O 1 136 LEU N 3.000 2.600 3.500 3.304 2.803 3.477 . 0 0 "[ . 1]" 2
106 1 132 SER O 1 136 LEU H 2.000 . 2.500 2.459 1.880 2.585 0.085 3 0 "[ . 1]" 2
107 1 133 TRP O 1 137 GLU N 3.000 2.600 3.500 2.851 2.665 3.078 . 0 0 "[ . 1]" 2
108 1 133 TRP O 1 137 GLU H 2.000 . 2.500 1.918 1.729 2.147 . 0 0 "[ . 1]" 2
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