NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600182 |
2nb4   |
25961 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2nb4
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 609
_Distance_constraint_stats_list.Viol_count 759
_Distance_constraint_stats_list.Viol_total 509.659
_Distance_constraint_stats_list.Viol_max 0.390
_Distance_constraint_stats_list.Viol_rms 0.0126
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0336
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 0.303 0.040 5 0 "[ . 1 . 2]"
1 2 LEU 0.611 0.068 10 0 "[ . 1 . 2]"
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.103 0.021 1 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.350 0.070 3 0 "[ . 1 . 2]"
1 8 GLY 0.075 0.013 1 0 "[ . 1 . 2]"
1 9 PHE 0.902 0.070 3 0 "[ . 1 . 2]"
1 10 ARG 0.354 0.070 14 0 "[ . 1 . 2]"
1 11 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.061 0.011 16 0 "[ . 1 . 2]"
1 13 VAL 0.308 0.039 7 0 "[ . 1 . 2]"
1 14 GLY 0.125 0.029 14 0 "[ . 1 . 2]"
1 15 ARG 0.257 0.075 8 0 "[ . 1 . 2]"
1 16 ASP 2.178 0.390 11 0 "[ . 1 . 2]"
1 17 SER 0.002 0.002 11 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.483 0.169 10 0 "[ . 1 . 2]"
1 21 THR 0.028 0.006 4 0 "[ . 1 . 2]"
1 22 THR 1.483 0.230 16 0 "[ . 1 . 2]"
1 23 LEU 0.459 0.039 7 0 "[ . 1 . 2]"
1 24 SER 0.007 0.004 10 0 "[ . 1 . 2]"
1 25 ILE 0.398 0.046 9 0 "[ . 1 . 2]"
1 26 GLN 0.534 0.070 14 0 "[ . 1 . 2]"
1 27 GLU 0.062 0.016 15 0 "[ . 1 . 2]"
1 28 VAL 0.596 0.046 14 0 "[ . 1 . 2]"
1 29 THR 0.112 0.014 13 0 "[ . 1 . 2]"
1 30 GLN 1.058 0.094 12 0 "[ . 1 . 2]"
1 31 THR 3.241 0.172 15 0 "[ . 1 . 2]"
1 32 TYR 0.374 0.081 13 0 "[ . 1 . 2]"
1 33 THR 2.224 0.155 12 0 "[ . 1 . 2]"
1 34 GLY 0.713 0.081 13 0 "[ . 1 . 2]"
1 35 SER 0.274 0.140 10 0 "[ . 1 . 2]"
1 36 ASN 1.258 0.098 16 0 "[ . 1 . 2]"
1 37 GLY 1.529 0.115 18 0 "[ . 1 . 2]"
1 38 GLY 0.859 0.111 18 0 "[ . 1 . 2]"
1 39 ALA 0.502 0.140 10 0 "[ . 1 . 2]"
1 40 ASP 3.421 0.172 15 0 "[ . 1 . 2]"
1 41 LEU 1.616 0.155 12 0 "[ . 1 . 2]"
1 42 MET 0.005 0.005 13 0 "[ . 1 . 2]"
1 43 GLY 0.085 0.029 19 0 "[ . 1 . 2]"
1 44 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.065 0.025 13 0 "[ . 1 . 2]"
1 46 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.085 0.029 19 0 "[ . 1 . 2]"
1 48 ALA 0.659 0.094 18 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 1.058 0.094 12 0 "[ . 1 . 2]"
1 51 ARG 0.194 0.069 18 0 "[ . 1 . 2]"
1 52 VAL 0.492 0.069 18 0 "[ . 1 . 2]"
1 53 GLY 0.389 0.046 9 0 "[ . 1 . 2]"
1 54 ASP 0.191 0.027 15 0 "[ . 1 . 2]"
1 55 GLN 0.653 0.097 15 0 "[ . 1 . 2]"
1 56 LEU 0.045 0.014 13 0 "[ . 1 . 2]"
1 57 VAL 0.367 0.057 6 0 "[ . 1 . 2]"
1 58 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 PHE 2.015 0.129 16 0 "[ . 1 . 2]"
1 60 ALA 1.229 0.129 16 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TYR 0.014 0.011 12 0 "[ . 1 . 2]"
1 63 THR 2.024 0.112 19 0 "[ . 1 . 2]"
1 64 VAL 0.015 0.006 4 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.103 0.014 10 0 "[ . 1 . 2]"
1 67 LEU 0.238 0.029 11 0 "[ . 1 . 2]"
1 68 ALA 0.055 0.017 10 0 "[ . 1 . 2]"
1 69 ALA 0.340 0.046 1 0 "[ . 1 . 2]"
1 70 PHE 1.155 0.084 18 0 "[ . 1 . 2]"
1 71 ASN 0.327 0.057 3 0 "[ . 1 . 2]"
1 72 THR 0.037 0.009 18 0 "[ . 1 . 2]"
1 73 VAL 1.421 0.092 15 0 "[ . 1 . 2]"
1 74 VAL 1.261 0.084 18 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 0.809 0.079 12 0 "[ . 1 . 2]"
1 77 HIS 0.821 0.092 15 0 "[ . 1 . 2]"
1 78 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.303 0.040 5 0 "[ . 1 . 2]"
1 80 PRO 1.197 0.115 18 0 "[ . 1 . 2]"
1 81 SER 0.211 0.056 10 0 "[ . 1 . 2]"
1 82 ALA 0.176 0.084 12 0 "[ . 1 . 2]"
1 83 SER 0.023 0.021 1 0 "[ . 1 . 2]"
1 84 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.139 0.033 10 0 "[ . 1 . 2]"
1 87 VAL 1.417 0.087 15 0 "[ . 1 . 2]"
1 88 PHE 0.411 0.062 16 0 "[ . 1 . 2]"
1 89 SER 0.792 0.097 15 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 1.094 0.390 11 0 "[ . 1 . 2]"
1 92 GLY 0.002 0.002 11 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.110 0.029 10 0 "[ . 1 . 2]"
1 95 MET 0.471 0.062 16 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.540 0.086 10 0 "[ . 1 . 2]"
1 98 THR 0.659 0.094 18 0 "[ . 1 . 2]"
1 99 ILE 0.023 0.021 1 0 "[ . 1 . 2]"
1 100 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 VAL 0.386 0.084 12 0 "[ . 1 . 2]"
1 102 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 104 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 2 LEU H 1.800 . 3.600 2.527 2.213 2.657 . 0 0 "[ . 1 . 2]" 1
2 1 1 PRO HB2 1 2 LEU H 1.800 . 4.600 2.332 2.035 3.186 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 3 THR MG 1.800 . 6.000 5.601 5.477 5.753 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU H 1 3 THR H 1.800 . 6.000 4.343 4.262 4.425 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU HA 1 3 THR H 1.800 . 3.600 2.339 2.294 2.451 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 3 THR MG 1.800 . 6.000 2.232 2.064 2.360 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR H 1 4 ARG H 1.800 . 6.000 4.459 4.453 4.480 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR H 1 76 ARG H 1.800 . 6.500 5.654 5.306 6.322 . 0 0 "[ . 1 . 2]" 1
9 1 5 PRO HA 1 6 TYR H 1.800 . 3.600 2.655 2.361 3.570 . 0 0 "[ . 1 . 2]" 1
10 1 6 TYR HB2 1 7 LEU H 1.800 . 5.600 4.310 4.107 4.475 . 0 0 "[ . 1 . 2]" 1
11 1 6 TYR HA 1 7 LEU H 1.800 . 3.600 2.207 2.148 2.299 . 0 0 "[ . 1 . 2]" 1
12 1 6 TYR HB3 1 7 LEU H 1.800 . 5.600 3.468 2.839 3.996 . 0 0 "[ . 1 . 2]" 1
13 1 6 TYR H 1 7 LEU H 1.800 . 6.200 4.420 4.319 4.597 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU H 1 9 PHE H 1.800 . 5.600 5.543 5.120 5.670 0.070 3 0 "[ . 1 . 2]" 1
15 1 8 GLY HA2 1 29 THR HB 1.800 . 6.200 6.060 5.527 6.213 0.013 1 0 "[ . 1 . 2]" 1
16 1 8 GLY HA2 1 9 PHE H 1.800 . 4.600 2.937 2.773 3.095 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLY HA3 1 9 PHE H 1.800 . 4.600 3.493 3.421 3.550 . 0 0 "[ . 1 . 2]" 1
18 1 9 PHE H 1 10 ARG H 1.800 . 5.600 4.379 4.336 4.405 . 0 0 "[ . 1 . 2]" 1
19 1 9 PHE H 1 67 LEU HB3 1.800 . 6.000 5.995 5.662 6.029 0.029 11 0 "[ . 1 . 2]" 1
20 1 9 PHE HB3 1 28 VAL MG2 1.800 . 6.000 5.529 4.891 5.824 . 0 0 "[ . 1 . 2]" 1
21 1 9 PHE HA 1 28 VAL MG2 1.800 . 6.000 5.977 5.488 6.046 0.046 14 0 "[ . 1 . 2]" 1
22 1 9 PHE HB3 1 10 ARG H 1.800 . 4.600 3.764 3.522 4.037 . 0 0 "[ . 1 . 2]" 1
23 1 9 PHE HB2 1 10 ARG H 1.800 . 4.600 2.363 2.088 2.776 . 0 0 "[ . 1 . 2]" 1
24 1 9 PHE HA 1 10 ARG H 1.800 . 4.600 2.462 2.287 2.575 . 0 0 "[ . 1 . 2]" 1
25 1 10 ARG H 1 26 GLN H 1.800 . 5.100 3.576 3.184 3.966 . 0 0 "[ . 1 . 2]" 1
26 1 10 ARG H 1 27 GLU H 1.800 . 4.900 3.019 2.717 3.390 . 0 0 "[ . 1 . 2]" 1
27 1 10 ARG H 1 26 GLN HA 1.800 . 6.200 5.855 5.561 6.211 0.011 11 0 "[ . 1 . 2]" 1
28 1 10 ARG HA 1 26 GLN HB2 1.800 . 5.200 5.192 5.014 5.270 0.070 14 0 "[ . 1 . 2]" 1
29 1 10 ARG HB2 1 26 GLN HB2 1.800 . 5.200 2.884 2.293 4.418 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG HA 1 11 VAL H 1.800 . 5.600 2.266 2.198 2.331 . 0 0 "[ . 1 . 2]" 1
31 1 10 ARG HB2 1 11 VAL H 1.800 . 5.600 3.811 2.608 4.261 . 0 0 "[ . 1 . 2]" 1
32 1 10 ARG HB3 1 11 VAL H 1.800 . 5.600 3.096 2.678 3.987 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG H 1 11 VAL H 1.800 . 5.600 4.493 4.431 4.515 . 0 0 "[ . 1 . 2]" 1
34 1 11 VAL H 1 26 GLN HE21 1.800 . 5.000 3.989 2.826 4.998 . 0 0 "[ . 1 . 2]" 1
35 1 11 VAL HA 1 12 ALA H 1.800 . 3.600 2.175 2.142 2.242 . 0 0 "[ . 1 . 2]" 1
36 1 11 VAL HB 1 12 ALA H 1.800 . 4.600 3.513 2.831 4.202 . 0 0 "[ . 1 . 2]" 1
37 1 12 ALA H 1 23 LEU HG 1.800 . 4.600 4.219 3.660 4.611 0.011 16 0 "[ . 1 . 2]" 1
38 1 12 ALA MB 1 23 LEU HG 1.800 . 6.000 4.809 4.397 5.148 . 0 0 "[ . 1 . 2]" 1
39 1 12 ALA H 1 23 LEU HA 1.800 . 5.100 4.378 3.804 4.794 . 0 0 "[ . 1 . 2]" 1
40 1 12 ALA H 1 25 ILE HA 1.800 . 5.200 4.389 4.124 4.605 . 0 0 "[ . 1 . 2]" 1
41 1 12 ALA MB 1 23 LEU HB3 1.800 . 5.400 5.026 4.692 5.284 . 0 0 "[ . 1 . 2]" 1
42 1 12 ALA HA 1 13 VAL H 1.800 . 3.600 2.143 2.142 2.146 . 0 0 "[ . 1 . 2]" 1
43 1 12 ALA MB 1 13 VAL H 1.800 . 4.600 3.210 3.143 3.243 . 0 0 "[ . 1 . 2]" 1
44 1 13 VAL H 1 14 GLY H 1.800 . 5.600 4.532 4.480 4.568 . 0 0 "[ . 1 . 2]" 1
45 1 13 VAL HB 1 23 LEU HB3 1.800 . 5.200 5.202 5.032 5.239 0.039 7 0 "[ . 1 . 2]" 1
46 1 13 VAL HA 1 23 LEU HA 1.800 . 4.500 2.850 2.663 3.002 . 0 0 "[ . 1 . 2]" 1
47 1 13 VAL HA 1 24 SER H 1.800 . 4.800 4.286 4.074 4.486 . 0 0 "[ . 1 . 2]" 1
48 1 13 VAL HA 1 23 LEU HB3 1.800 . 5.200 4.113 3.937 4.250 . 0 0 "[ . 1 . 2]" 1
49 1 13 VAL HA 1 23 LEU HG 1.800 . 5.200 1.991 1.984 1.997 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL HA 1 14 GLY H 1.800 . 3.600 2.164 2.145 2.185 . 0 0 "[ . 1 . 2]" 1
51 1 13 VAL HB 1 14 GLY H 1.800 . 4.600 4.174 4.077 4.243 . 0 0 "[ . 1 . 2]" 1
52 1 14 GLY H 1 15 ARG HA 1.800 . 6.000 4.619 4.574 4.661 . 0 0 "[ . 1 . 2]" 1
53 1 14 GLY H 1 22 THR H 1.800 . 5.000 4.093 3.376 4.501 . 0 0 "[ . 1 . 2]" 1
54 1 14 GLY H 1 23 LEU HB2 1.800 . 6.000 5.824 5.507 6.029 0.029 14 0 "[ . 1 . 2]" 1
55 1 14 GLY H 1 23 LEU HG 1.800 . 5.600 3.843 3.641 3.996 . 0 0 "[ . 1 . 2]" 1
56 1 14 GLY HA3 1 15 ARG H 1.800 . 4.600 2.299 2.244 2.339 . 0 0 "[ . 1 . 2]" 1
57 1 14 GLY HA2 1 15 ARG H 1.800 . 4.600 2.871 2.816 2.954 . 0 0 "[ . 1 . 2]" 1
58 1 14 GLY H 1 15 ARG H 1.800 . 5.600 4.243 4.158 4.295 . 0 0 "[ . 1 . 2]" 1
59 1 15 ARG H 1 16 ASP H 1.800 . 5.600 4.372 4.277 4.420 . 0 0 "[ . 1 . 2]" 1
60 1 15 ARG H 1 22 THR MG 1.800 . 6.000 5.812 5.480 6.075 0.075 8 0 "[ . 1 . 2]" 1
61 1 15 ARG HA 1 16 ASP H 1.800 . 3.600 2.207 2.152 2.239 . 0 0 "[ . 1 . 2]" 1
62 1 16 ASP H 1 17 SER H 1.800 . 5.600 4.461 4.444 4.523 . 0 0 "[ . 1 . 2]" 1
63 1 16 ASP HA 1 22 THR MG 1.800 . 5.100 4.792 4.459 5.105 0.005 8 0 "[ . 1 . 2]" 1
64 1 16 ASP HA 1 91 ASP HB3 1.800 . 4.900 4.751 4.281 4.920 0.020 16 0 "[ . 1 . 2]" 1
65 1 16 ASP HB3 1 91 ASP HB3 1.800 . 5.400 5.034 3.731 5.364 . 0 0 "[ . 1 . 2]" 1
66 1 16 ASP HB2 1 91 ASP HA 1.800 . 4.900 3.275 2.434 3.948 . 0 0 "[ . 1 . 2]" 1
67 1 16 ASP HB3 1 17 SER H 1.800 . 4.600 3.199 2.009 3.516 . 0 0 "[ . 1 . 2]" 1
68 1 16 ASP HB2 1 17 SER H 1.800 . 4.600 2.153 1.945 3.473 . 0 0 "[ . 1 . 2]" 1
69 1 17 SER H 1 18 SER H 1.800 . 5.600 2.595 2.462 2.713 . 0 0 "[ . 1 . 2]" 1
70 1 17 SER H 1 92 GLY H 1.800 . 4.600 4.129 3.861 4.602 0.002 11 0 "[ . 1 . 2]" 1
71 1 17 SER H 1 91 ASP HB3 1.800 . 4.600 3.866 2.924 4.594 . 0 0 "[ . 1 . 2]" 1
72 1 17 SER HA 1 18 SER H 1.800 . 4.600 3.465 3.460 3.468 . 0 0 "[ . 1 . 2]" 1
73 1 18 SER H 1 19 GLY H 1.800 . 5.600 2.574 2.354 2.813 . 0 0 "[ . 1 . 2]" 1
74 1 16 ASP HB2 1 18 SER H 1.800 . 5.600 2.727 2.354 3.161 . 0 0 "[ . 1 . 2]" 1
75 1 18 SER H 1 92 GLY H 1.800 . 5.500 4.586 4.185 4.984 . 0 0 "[ . 1 . 2]" 1
76 1 18 SER HA 1 19 GLY H 1.800 . 3.600 3.561 3.534 3.574 . 0 0 "[ . 1 . 2]" 1
77 1 19 GLY H 1 21 THR H 1.800 . 5.100 4.127 3.728 4.413 . 0 0 "[ . 1 . 2]" 1
78 1 15 ARG HA 1 19 GLY H 1.800 . 6.200 5.203 4.743 5.757 . 0 0 "[ . 1 . 2]" 1
79 1 19 GLY HA3 1 20 CYS H 1.800 . 4.600 3.561 3.547 3.570 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLY HA2 1 20 CYS H 1.800 . 4.600 2.686 2.566 2.784 . 0 0 "[ . 1 . 2]" 1
81 1 20 CYS H 1 22 THR MG 1.800 . 6.200 3.570 3.306 4.095 . 0 0 "[ . 1 . 2]" 1
82 1 16 ASP H 1 20 CYS H 1.800 . 5.200 3.587 3.233 3.942 . 0 0 "[ . 1 . 2]" 1
83 1 16 ASP HB2 1 20 CYS H 1.800 . 5.200 4.935 3.633 5.369 0.169 10 0 "[ . 1 . 2]" 1
84 1 20 CYS HA 1 21 THR MG 1.800 . 5.900 5.506 5.418 5.575 . 0 0 "[ . 1 . 2]" 1
85 1 20 CYS HA 1 21 THR H 1.800 . 3.600 3.189 3.140 3.387 . 0 0 "[ . 1 . 2]" 1
86 1 21 THR H 1 22 THR HA 1.800 . 5.600 5.470 5.358 5.556 . 0 0 "[ . 1 . 2]" 1
87 1 21 THR H 1 21 THR MG 1.800 . 4.600 3.879 3.704 3.968 . 0 0 "[ . 1 . 2]" 1
88 1 21 THR H 1 22 THR MG 1.800 . 4.600 3.668 3.399 3.805 . 0 0 "[ . 1 . 2]" 1
89 1 16 ASP H 1 21 THR H 1.800 . 4.900 3.698 3.313 4.015 . 0 0 "[ . 1 . 2]" 1
90 1 15 ARG HA 1 21 THR MG 1.800 . 5.900 4.420 3.513 5.031 . 0 0 "[ . 1 . 2]" 1
91 1 21 THR MG 1 63 THR HB 1.800 . 5.900 5.153 4.505 5.655 . 0 0 "[ . 1 . 2]" 1
92 1 15 ARG HA 1 21 THR HA 1.800 . 4.900 3.207 2.446 3.623 . 0 0 "[ . 1 . 2]" 1
93 1 21 THR HB 1 22 THR HA 1.800 . 5.900 4.616 4.383 4.747 . 0 0 "[ . 1 . 2]" 1
94 1 20 CYS HA 1 21 THR HA 1.800 . 5.900 5.082 5.046 5.212 . 0 0 "[ . 1 . 2]" 1
95 1 21 THR HA 1 22 THR MG 1.800 . 5.900 3.836 3.627 4.002 . 0 0 "[ . 1 . 2]" 1
96 1 21 THR HA 1 21 THR MG 1.800 . 5.900 2.189 2.058 2.333 . 0 0 "[ . 1 . 2]" 1
97 1 21 THR HB 1 22 THR H 1.800 . 5.600 4.349 4.174 4.434 . 0 0 "[ . 1 . 2]" 1
98 1 21 THR HA 1 22 THR H 1.800 . 4.600 2.253 2.195 2.353 . 0 0 "[ . 1 . 2]" 1
99 1 21 THR MG 1 22 THR H 1.800 . 6.000 3.415 3.148 3.580 . 0 0 "[ . 1 . 2]" 1
100 1 22 THR H 1 22 THR MG 1.800 . 6.000 2.277 2.079 2.647 . 0 0 "[ . 1 . 2]" 1
101 1 21 THR H 1 22 THR H 1.800 . 5.000 3.409 3.223 3.533 . 0 0 "[ . 1 . 2]" 1
102 1 14 GLY HA3 1 22 THR H 1.800 . 6.000 5.596 4.889 6.014 0.014 17 0 "[ . 1 . 2]" 1
103 1 15 ARG HA 1 22 THR H 1.800 . 4.900 3.427 2.727 3.629 . 0 0 "[ . 1 . 2]" 1
104 1 22 THR MG 1 55 GLN HG2 1.800 . 5.200 4.606 4.025 5.219 0.019 3 0 "[ . 1 . 2]" 1
105 1 22 THR HA 1 22 THR MG 1.800 . 6.200 3.009 2.456 3.191 . 0 0 "[ . 1 . 2]" 1
106 1 16 ASP HB2 1 22 THR MG 1.800 . 4.300 4.033 2.793 4.530 0.230 16 0 "[ . 1 . 2]" 1
107 1 15 ARG HA 1 22 THR MG 1.800 . 5.300 4.155 3.912 4.603 . 0 0 "[ . 1 . 2]" 1
108 1 22 THR MG 1 63 THR HA 1.800 . 5.300 4.026 3.615 4.314 . 0 0 "[ . 1 . 2]" 1
109 1 22 THR HB 1 23 LEU H 1.800 . 4.600 3.338 2.323 3.687 . 0 0 "[ . 1 . 2]" 1
110 1 22 THR HA 1 23 LEU H 1.800 . 3.600 2.373 2.283 2.516 . 0 0 "[ . 1 . 2]" 1
111 1 22 THR MG 1 23 LEU H 1.800 . 6.000 3.840 3.755 4.014 . 0 0 "[ . 1 . 2]" 1
112 1 22 THR H 1 23 LEU H 1.800 . 6.000 4.436 4.393 4.511 . 0 0 "[ . 1 . 2]" 1
113 1 23 LEU H 1 23 LEU HG 1.800 . 6.000 4.143 3.654 4.459 . 0 0 "[ . 1 . 2]" 1
114 1 12 ALA MB 1 23 LEU HA 1.800 . 5.000 4.754 4.367 5.008 0.008 6 0 "[ . 1 . 2]" 1
115 1 23 LEU HB3 1 24 SER H 1.800 . 4.600 2.900 2.498 3.459 . 0 0 "[ . 1 . 2]" 1
116 1 23 LEU HB2 1 24 SER H 1.800 . 4.600 4.077 3.746 4.414 . 0 0 "[ . 1 . 2]" 1
117 1 23 LEU HA 1 24 SER H 1.800 . 3.600 2.263 2.140 2.366 . 0 0 "[ . 1 . 2]" 1
118 1 12 ALA MB 1 24 SER H 1.800 . 4.200 3.718 3.419 3.942 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL HA 1 24 SER H 1.800 . 5.500 4.512 3.997 5.033 . 0 0 "[ . 1 . 2]" 1
120 1 24 SER HA 1 56 LEU H 1.800 . 6.000 3.872 3.143 4.939 . 0 0 "[ . 1 . 2]" 1
121 1 24 SER HA 1 55 GLN HA 1.800 . 4.200 2.460 2.003 3.221 . 0 0 "[ . 1 . 2]" 1
122 1 24 SER HA 1 25 ILE H 1.800 . 3.600 2.238 2.171 2.292 . 0 0 "[ . 1 . 2]" 1
123 1 25 ILE H 1 54 ASP H 1.800 . 5.300 4.727 3.798 5.312 0.012 3 0 "[ . 1 . 2]" 1
124 1 25 ILE H 1 53 GLY HA2 1.800 . 6.200 4.801 4.102 5.621 . 0 0 "[ . 1 . 2]" 1
125 1 25 ILE H 1 55 GLN HA 1.800 . 4.300 2.821 2.316 3.566 . 0 0 "[ . 1 . 2]" 1
126 1 11 VAL HA 1 25 ILE HA 1.800 . 4.900 3.222 3.041 3.333 . 0 0 "[ . 1 . 2]" 1
127 1 26 GLN H 1 27 GLU H 1.800 . 4.600 2.067 1.978 2.231 . 0 0 "[ . 1 . 2]" 1
128 1 11 VAL HA 1 26 GLN H 1.800 . 4.900 3.918 3.612 4.190 . 0 0 "[ . 1 . 2]" 1
129 1 26 GLN HB2 1 52 VAL HB 1.800 . 5.600 5.566 5.274 5.655 0.055 18 0 "[ . 1 . 2]" 1
130 1 12 ALA MB 1 26 GLN HE21 1.800 . 4.600 2.498 1.941 3.138 . 0 0 "[ . 1 . 2]" 1
131 1 10 ARG HB2 1 26 GLN HE21 1.800 . 4.600 3.993 3.313 4.534 . 0 0 "[ . 1 . 2]" 1
132 1 11 VAL HA 1 26 GLN HE21 1.800 . 5.600 3.433 2.444 4.802 . 0 0 "[ . 1 . 2]" 1
133 1 26 GLN HB3 1 27 GLU H 1.800 . 4.600 3.889 3.590 4.172 . 0 0 "[ . 1 . 2]" 1
134 1 26 GLN HA 1 27 GLU H 1.800 . 4.600 3.427 3.337 3.481 . 0 0 "[ . 1 . 2]" 1
135 1 26 GLN HB2 1 27 GLU H 1.800 . 4.600 3.150 2.921 3.414 . 0 0 "[ . 1 . 2]" 1
136 1 9 PHE HA 1 27 GLU H 1.800 . 5.200 4.407 3.998 4.923 . 0 0 "[ . 1 . 2]" 1
137 1 9 PHE HB3 1 27 GLU H 1.800 . 6.200 4.720 4.198 5.302 . 0 0 "[ . 1 . 2]" 1
138 1 28 VAL MG1 1 45 ALA MB 1.800 . 4.900 3.162 2.474 3.758 . 0 0 "[ . 1 . 2]" 1
139 1 28 VAL MG1 1 45 ALA HA 1.800 . 5.900 5.342 4.322 5.911 0.011 9 0 "[ . 1 . 2]" 1
140 1 28 VAL HA 1 28 VAL MG1 1.800 . 5.900 2.287 2.111 2.373 . 0 0 "[ . 1 . 2]" 1
141 1 28 VAL MG1 1 29 THR H 1.800 . 6.000 2.783 2.289 3.771 . 0 0 "[ . 1 . 2]" 1
142 1 28 VAL MG2 1 29 THR H 1.800 . 6.000 4.169 4.082 4.269 . 0 0 "[ . 1 . 2]" 1
143 1 28 VAL HA 1 29 THR H 1.800 . 3.600 2.157 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
144 1 28 VAL HB 1 29 THR H 1.800 . 5.600 3.861 3.101 4.158 . 0 0 "[ . 1 . 2]" 1
145 1 29 THR H 1 30 GLN H 1.800 . 5.600 1.934 1.877 2.056 . 0 0 "[ . 1 . 2]" 1
146 1 29 THR HA 1 29 THR MG 1.800 . 5.900 3.197 3.181 3.206 . 0 0 "[ . 1 . 2]" 1
147 1 28 VAL HA 1 29 THR HA 1.800 . 6.200 4.396 4.388 4.400 . 0 0 "[ . 1 . 2]" 1
148 1 29 THR MG 1 30 GLN H 1.800 . 5.600 2.716 2.190 3.068 . 0 0 "[ . 1 . 2]" 1
149 1 29 THR HB 1 30 GLN H 1.800 . 5.600 4.328 4.082 4.443 . 0 0 "[ . 1 . 2]" 1
150 1 29 THR HA 1 30 GLN H 1.800 . 3.600 3.340 3.224 3.447 . 0 0 "[ . 1 . 2]" 1
151 1 30 GLN H 1 31 THR MG 1.800 . 5.600 4.252 3.936 4.546 . 0 0 "[ . 1 . 2]" 1
152 1 30 GLN H 1 31 THR H 1.800 . 5.200 2.548 2.514 2.601 . 0 0 "[ . 1 . 2]" 1
153 1 30 GLN H 1 50 LEU HB2 1.800 . 4.900 4.953 4.907 4.994 0.094 12 0 "[ . 1 . 2]" 1
154 1 30 GLN HE22 1 50 LEU HB2 1.800 . 4.900 3.438 2.309 4.892 . 0 0 "[ . 1 . 2]" 1
155 1 30 GLN HA 1 31 THR H 1.800 . 4.600 3.206 3.114 3.352 . 0 0 "[ . 1 . 2]" 1
156 1 31 THR H 1 32 TYR HA 1.800 . 5.600 4.801 4.769 4.958 . 0 0 "[ . 1 . 2]" 1
157 1 31 THR H 1 31 THR MG 1.800 . 5.600 3.203 3.004 3.329 . 0 0 "[ . 1 . 2]" 1
158 1 29 THR HA 1 31 THR H 1.800 . 5.500 3.328 3.173 3.477 . 0 0 "[ . 1 . 2]" 1
159 1 29 THR MG 1 31 THR H 1.800 . 5.500 4.451 4.197 4.572 . 0 0 "[ . 1 . 2]" 1
160 1 31 THR HB 1 40 ASP HA 1.800 . 5.200 5.325 5.262 5.372 0.172 15 0 "[ . 1 . 2]" 1
161 1 31 THR HA 1 42 MET HA 1.800 . 4.900 3.407 3.248 3.925 . 0 0 "[ . 1 . 2]" 1
162 1 31 THR HA 1 31 THR MG 1.800 . 5.200 2.070 2.012 2.200 . 0 0 "[ . 1 . 2]" 1
163 1 31 THR MG 1 41 LEU H 1.800 . 5.200 4.451 4.327 4.522 . 0 0 "[ . 1 . 2]" 1
164 1 31 THR MG 1 40 ASP HA 1.800 . 5.900 5.931 5.814 5.984 0.084 3 0 "[ . 1 . 2]" 1
165 1 31 THR MG 1 32 TYR H 1.800 . 6.000 4.421 4.400 4.444 . 0 0 "[ . 1 . 2]" 1
166 1 31 THR HA 1 32 TYR H 1.800 . 3.600 3.078 3.065 3.089 . 0 0 "[ . 1 . 2]" 1
167 1 31 THR HB 1 32 TYR H 1.800 . 4.600 4.255 4.221 4.303 . 0 0 "[ . 1 . 2]" 1
168 1 32 TYR H 1 33 THR H 1.800 . 5.200 4.464 4.457 4.480 . 0 0 "[ . 1 . 2]" 1
169 1 31 THR H 1 32 TYR H 1.800 . 5.200 2.438 2.388 2.636 . 0 0 "[ . 1 . 2]" 1
170 1 32 TYR H 1 40 ASP HA 1.800 . 6.200 4.628 4.474 4.733 . 0 0 "[ . 1 . 2]" 1
171 1 32 TYR HA 1 33 THR H 1.800 . 3.600 2.256 2.233 2.332 . 0 0 "[ . 1 . 2]" 1
172 1 32 TYR HB2 1 33 THR H 1.800 . 4.600 4.114 3.871 4.274 . 0 0 "[ . 1 . 2]" 1
173 1 32 TYR HB3 1 33 THR H 1.800 . 4.600 3.017 2.605 3.919 . 0 0 "[ . 1 . 2]" 1
174 1 33 THR H 1 33 THR MG 1.800 . 4.600 4.017 3.957 4.053 . 0 0 "[ . 1 . 2]" 1
175 1 33 THR H 1 34 GLY H 1.800 . 5.200 4.354 4.276 4.396 . 0 0 "[ . 1 . 2]" 1
176 1 33 THR HB 1 40 ASP HA 1.800 . 5.900 3.274 2.883 4.001 . 0 0 "[ . 1 . 2]" 1
177 1 33 THR HA 1 33 THR MG 1.800 . 6.200 2.195 1.973 2.385 . 0 0 "[ . 1 . 2]" 1
178 1 33 THR MG 1 39 ALA HA 1.800 . 4.900 4.802 4.275 4.997 0.097 13 0 "[ . 1 . 2]" 1
179 1 33 THR MG 1 38 GLY HA2 1.800 . 5.200 3.369 2.600 5.016 . 0 0 "[ . 1 . 2]" 1
180 1 33 THR MG 1 40 ASP HA 1.800 . 5.200 4.586 4.455 4.661 . 0 0 "[ . 1 . 2]" 1
181 1 33 THR HA 1 34 GLY H 1.800 . 3.600 2.332 2.245 2.404 . 0 0 "[ . 1 . 2]" 1
182 1 33 THR HB 1 34 GLY H 1.800 . 4.600 3.496 2.861 3.969 . 0 0 "[ . 1 . 2]" 1
183 1 33 THR MG 1 34 GLY H 1.800 . 6.000 2.028 1.885 2.376 . 0 0 "[ . 1 . 2]" 1
184 1 34 GLY H 1 35 SER H 1.800 . 4.600 1.843 1.777 1.874 0.023 1 0 "[ . 1 . 2]" 1
185 1 32 TYR HA 1 34 GLY H 1.800 . 6.400 6.408 6.324 6.481 0.081 13 0 "[ . 1 . 2]" 1
186 1 34 GLY HA2 1 37 GLY HA3 1.800 . 5.900 5.719 5.347 5.956 0.056 8 0 "[ . 1 . 2]" 1
187 1 34 GLY HA2 1 35 SER H 1.800 . 4.600 3.509 3.476 3.528 . 0 0 "[ . 1 . 2]" 1
188 1 34 GLY HA3 1 35 SER H 1.800 . 4.600 2.912 2.859 2.992 . 0 0 "[ . 1 . 2]" 1
189 1 35 SER H 1 39 ALA H 1.800 . 6.100 5.611 5.406 6.240 0.140 10 0 "[ . 1 . 2]" 1
190 1 35 SER HA 1 36 ASN H 1.800 . 4.600 2.212 2.142 2.287 . 0 0 "[ . 1 . 2]" 1
191 1 35 SER H 1 36 ASN H 1.800 . 6.000 4.487 4.376 4.539 . 0 0 "[ . 1 . 2]" 1
192 1 2 LEU H 1 36 ASN H 1.800 . 5.000 5.009 4.716 5.068 0.068 10 0 "[ . 1 . 2]" 1
193 1 36 ASN HA 1 37 GLY H 1.800 . 4.600 2.907 2.804 2.946 . 0 0 "[ . 1 . 2]" 1
194 1 36 ASN H 1 37 GLY H 1.800 . 5.600 2.735 2.645 2.832 . 0 0 "[ . 1 . 2]" 1
195 1 37 GLY H 1 38 GLY H 1.800 . 5.600 2.718 2.319 2.947 . 0 0 "[ . 1 . 2]" 1
196 1 33 THR MG 1 37 GLY H 1.800 . 4.900 3.976 3.592 4.545 . 0 0 "[ . 1 . 2]" 1
197 1 37 GLY HA3 1 80 PRO HA 1.800 . 5.900 5.960 5.907 6.015 0.115 18 0 "[ . 1 . 2]" 1
198 1 37 GLY HA2 1 38 GLY H 1.800 . 4.600 3.565 3.550 3.573 . 0 0 "[ . 1 . 2]" 1
199 1 37 GLY HA3 1 38 GLY H 1.800 . 4.600 2.496 2.408 2.625 . 0 0 "[ . 1 . 2]" 1
200 1 38 GLY H 1 39 ALA MB 1.800 . 5.600 4.288 4.116 4.695 . 0 0 "[ . 1 . 2]" 1
201 1 33 THR HB 1 38 GLY HA2 1.800 . 4.900 3.951 2.662 5.011 0.111 18 0 "[ . 1 . 2]" 1
202 1 36 ASN HA 1 38 GLY H 1.800 . 5.500 5.494 5.258 5.598 0.098 16 0 "[ . 1 . 2]" 1
203 1 33 THR MG 1 38 GLY H 1.800 . 5.500 2.047 1.843 2.868 . 0 0 "[ . 1 . 2]" 1
204 1 38 GLY HA3 1 39 ALA H 1.800 . 4.600 3.406 2.335 3.552 . 0 0 "[ . 1 . 2]" 1
205 1 38 GLY HA2 1 39 ALA H 1.800 . 4.600 2.501 2.305 3.526 . 0 0 "[ . 1 . 2]" 1
206 1 39 ALA H 1 39 ALA MB 1.800 . 5.600 2.854 2.347 2.898 . 0 0 "[ . 1 . 2]" 1
207 1 39 ALA H 1 40 ASP H 1.800 . 5.600 3.181 2.486 4.355 . 0 0 "[ . 1 . 2]" 1
208 1 39 ALA HA 1 40 ASP HA 1.800 . 6.200 4.502 4.306 4.636 . 0 0 "[ . 1 . 2]" 1
209 1 33 THR HB 1 39 ALA MB 1.800 . 4.600 3.440 3.167 4.100 . 0 0 "[ . 1 . 2]" 1
210 1 39 ALA MB 1 40 ASP H 1.800 . 4.600 3.520 2.467 3.720 . 0 0 "[ . 1 . 2]" 1
211 1 39 ALA HA 1 40 ASP H 1.800 . 3.600 2.369 2.214 2.613 . 0 0 "[ . 1 . 2]" 1
212 1 40 ASP H 1 41 LEU H 1.800 . 5.600 4.429 4.355 4.600 . 0 0 "[ . 1 . 2]" 1
213 1 33 THR HB 1 40 ASP H 1.800 . 5.200 3.681 3.276 4.167 . 0 0 "[ . 1 . 2]" 1
214 1 33 THR HA 1 40 ASP H 1.800 . 5.900 5.719 5.203 5.951 0.051 5 0 "[ . 1 . 2]" 1
215 1 40 ASP HA 1 41 LEU H 1.800 . 3.600 2.149 2.140 2.198 . 0 0 "[ . 1 . 2]" 1
216 1 32 TYR H 1 41 LEU H 1.800 . 4.800 4.663 4.568 4.816 0.016 19 0 "[ . 1 . 2]" 1
217 1 31 THR HA 1 41 LEU H 1.800 . 5.400 3.707 3.555 3.927 . 0 0 "[ . 1 . 2]" 1
218 1 33 THR MG 1 41 LEU H 1.800 . 5.600 5.665 5.408 5.755 0.155 12 0 "[ . 1 . 2]" 1
219 1 41 LEU HA 1 42 MET H 1.800 . 3.600 2.756 2.716 2.788 . 0 0 "[ . 1 . 2]" 1
220 1 41 LEU HB2 1 42 MET H 1.800 . 5.600 3.584 3.546 3.630 . 0 0 "[ . 1 . 2]" 1
221 1 41 LEU HB3 1 42 MET H 1.800 . 5.600 2.308 2.171 2.384 . 0 0 "[ . 1 . 2]" 1
222 1 31 THR HA 1 42 MET H 1.800 . 5.900 5.410 5.230 5.905 0.005 13 0 "[ . 1 . 2]" 1
223 1 31 THR HB 1 42 MET HA 1.800 . 4.900 3.536 3.282 3.976 . 0 0 "[ . 1 . 2]" 1
224 1 31 THR MG 1 42 MET HA 1.800 . 5.900 1.954 1.879 2.370 . 0 0 "[ . 1 . 2]" 1
225 1 42 MET HB2 1 43 GLY H 1.800 . 5.600 4.262 4.106 4.596 . 0 0 "[ . 1 . 2]" 1
226 1 42 MET HB3 1 43 GLY H 1.800 . 5.600 3.861 3.247 4.403 . 0 0 "[ . 1 . 2]" 1
227 1 42 MET HA 1 43 GLY H 1.800 . 3.600 2.148 2.145 2.163 . 0 0 "[ . 1 . 2]" 1
228 1 31 THR HA 1 43 GLY H 1.800 . 4.800 4.177 3.901 4.554 . 0 0 "[ . 1 . 2]" 1
229 1 31 THR MG 1 43 GLY H 1.800 . 5.100 3.056 2.750 3.494 . 0 0 "[ . 1 . 2]" 1
230 1 43 GLY H 1 46 PHE H 1.800 . 5.900 3.407 3.009 4.189 . 0 0 "[ . 1 . 2]" 1
231 1 43 GLY H 1 45 ALA MB 1.800 . 4.900 3.167 2.735 3.488 . 0 0 "[ . 1 . 2]" 1
232 1 43 GLY H 1 47 ALA MB 1.800 . 5.900 5.589 5.116 5.929 0.029 19 0 "[ . 1 . 2]" 1
233 1 44 PRO HA 1 45 ALA H 1.800 . 4.600 3.475 3.385 3.544 . 0 0 "[ . 1 . 2]" 1
234 1 45 ALA H 1 45 ALA MB 1.800 . 5.600 2.206 2.056 2.270 . 0 0 "[ . 1 . 2]" 1
235 1 45 ALA H 1 46 PHE H 1.800 . 4.900 2.601 2.418 2.710 . 0 0 "[ . 1 . 2]" 1
236 1 45 ALA H 1 48 ALA H 1.800 . 6.200 5.102 4.691 5.672 . 0 0 "[ . 1 . 2]" 1
237 1 45 ALA H 1 47 ALA H 1.800 . 6.500 3.739 3.599 3.927 . 0 0 "[ . 1 . 2]" 1
238 1 45 ALA MB 1 48 ALA H 1.800 . 5.400 4.758 4.463 5.221 . 0 0 "[ . 1 . 2]" 1
239 1 41 LEU H 1 45 ALA MB 1.800 . 6.500 6.090 5.420 6.525 0.025 13 0 "[ . 1 . 2]" 1
240 1 31 THR MG 1 45 ALA HA 1.800 . 5.900 4.615 4.047 5.274 . 0 0 "[ . 1 . 2]" 1
241 1 45 ALA HA 1 46 PHE H 1.800 . 4.600 3.545 3.466 3.557 . 0 0 "[ . 1 . 2]" 1
242 1 46 PHE H 1 47 ALA H 1.800 . 4.600 2.493 2.242 2.589 . 0 0 "[ . 1 . 2]" 1
243 1 46 PHE H 1 48 ALA H 1.800 . 4.900 4.299 4.095 4.561 . 0 0 "[ . 1 . 2]" 1
244 1 46 PHE HA 1 48 ALA H 1.800 . 6.200 4.055 3.768 4.345 . 0 0 "[ . 1 . 2]" 1
245 1 47 ALA H 1 47 ALA MB 1.800 . 4.600 2.134 2.043 2.251 . 0 0 "[ . 1 . 2]" 1
246 1 47 ALA H 1 49 GLY H 1.800 . 5.000 3.759 3.648 3.898 . 0 0 "[ . 1 . 2]" 1
247 1 47 ALA H 1 48 ALA H 1.800 . 4.300 2.562 2.475 2.652 . 0 0 "[ . 1 . 2]" 1
248 1 43 GLY H 1 47 ALA H 1.800 . 6.400 5.115 4.716 5.752 . 0 0 "[ . 1 . 2]" 1
249 1 44 PRO HA 1 47 ALA MB 1.800 . 4.900 2.355 1.952 2.878 . 0 0 "[ . 1 . 2]" 1
250 1 47 ALA HA 1 48 ALA H 1.800 . 4.600 3.507 3.452 3.530 . 0 0 "[ . 1 . 2]" 1
251 1 47 ALA MB 1 48 ALA H 1.800 . 4.600 2.752 2.597 2.985 . 0 0 "[ . 1 . 2]" 1
252 1 48 ALA H 1 48 ALA MB 1.800 . 4.600 2.268 2.096 2.360 . 0 0 "[ . 1 . 2]" 1
253 1 48 ALA H 1 49 GLY HA3 1.800 . 6.200 4.919 4.839 5.090 . 0 0 "[ . 1 . 2]" 1
254 1 48 ALA H 1 49 GLY H 1.800 . 4.300 2.198 2.112 2.398 . 0 0 "[ . 1 . 2]" 1
255 1 48 ALA H 1 99 ILE MG 1.800 . 6.200 4.417 3.715 4.880 . 0 0 "[ . 1 . 2]" 1
256 1 48 ALA MB 1 49 GLY H 1.800 . 4.600 2.953 2.914 3.012 . 0 0 "[ . 1 . 2]" 1
257 1 49 GLY H 1 50 LEU H 1.800 . 4.900 2.187 2.069 2.318 . 0 0 "[ . 1 . 2]" 1
258 1 49 GLY H 1 99 ILE MG 1.800 . 6.200 4.917 4.566 5.205 . 0 0 "[ . 1 . 2]" 1
259 1 49 GLY HA2 1 50 LEU H 1.800 . 4.600 3.122 3.111 3.173 . 0 0 "[ . 1 . 2]" 1
260 1 50 LEU H 1 51 ARG H 1.800 . 5.600 4.411 4.366 4.511 . 0 0 "[ . 1 . 2]" 1
261 1 45 ALA HA 1 50 LEU H 1.800 . 5.900 3.971 3.394 4.692 . 0 0 "[ . 1 . 2]" 1
262 1 48 ALA MB 1 50 LEU HB2 1.800 . 6.200 4.117 3.596 4.646 . 0 0 "[ . 1 . 2]" 1
263 1 45 ALA MB 1 50 LEU HB2 1.800 . 5.900 2.875 2.058 4.540 . 0 0 "[ . 1 . 2]" 1
264 1 50 LEU HB2 1 51 ARG H 1.800 . 5.600 4.204 3.361 4.525 . 0 0 "[ . 1 . 2]" 1
265 1 50 LEU HB3 1 51 ARG H 1.800 . 5.600 3.696 3.604 4.282 . 0 0 "[ . 1 . 2]" 1
266 1 50 LEU HA 1 51 ARG H 1.800 . 3.600 2.146 2.144 2.149 . 0 0 "[ . 1 . 2]" 1
267 1 51 ARG H 1 54 ASP H 1.800 . 5.900 4.373 3.900 4.684 . 0 0 "[ . 1 . 2]" 1
268 1 51 ARG H 1 52 VAL HA 1.800 . 6.000 5.053 4.925 5.142 . 0 0 "[ . 1 . 2]" 1
269 1 51 ARG H 1 54 ASP HB2 1.800 . 6.000 3.665 2.828 5.776 . 0 0 "[ . 1 . 2]" 1
270 1 51 ARG H 1 53 GLY H 1.800 . 5.900 5.812 5.479 5.920 0.020 6 0 "[ . 1 . 2]" 1
271 1 51 ARG HB3 1 52 VAL HB 1.800 . 5.900 5.595 5.316 5.969 0.069 18 0 "[ . 1 . 2]" 1
272 1 51 ARG HA 1 52 VAL H 1.800 . 3.600 2.461 2.337 2.570 . 0 0 "[ . 1 . 2]" 1
273 1 52 VAL H 1 53 GLY H 1.800 . 5.600 4.557 4.485 4.584 . 0 0 "[ . 1 . 2]" 1
274 1 28 VAL MG2 1 52 VAL H 1.800 . 4.600 3.437 2.539 4.615 0.015 6 0 "[ . 1 . 2]" 1
275 1 28 VAL MG1 1 52 VAL H 1.800 . 4.600 4.217 2.716 4.639 0.039 19 0 "[ . 1 . 2]" 1
276 1 25 ILE HB 1 52 VAL HA 1.800 . 5.000 4.206 2.682 5.000 0.000 12 0 "[ . 1 . 2]" 1
277 1 52 VAL HA 1 53 GLY H 1.800 . 3.600 2.163 2.144 2.174 . 0 0 "[ . 1 . 2]" 1
278 1 52 VAL HB 1 53 GLY H 1.800 . 5.600 3.264 3.129 4.036 . 0 0 "[ . 1 . 2]" 1
279 1 53 GLY H 1 54 ASP H 1.800 . 4.600 2.581 1.978 3.151 . 0 0 "[ . 1 . 2]" 1
280 1 53 GLY H 1 54 ASP HB2 1.800 . 6.500 4.777 4.281 6.231 . 0 0 "[ . 1 . 2]" 1
281 1 25 ILE HB 1 53 GLY H 1.800 . 4.500 3.905 2.516 4.546 0.046 9 0 "[ . 1 . 2]" 1
282 1 27 GLU H 1 53 GLY H 1.800 . 5.500 5.266 4.554 5.516 0.016 15 0 "[ . 1 . 2]" 1
283 1 53 GLY HA3 1 54 ASP H 1.800 . 4.600 2.926 2.599 3.313 . 0 0 "[ . 1 . 2]" 1
284 1 53 GLY HA2 1 54 ASP H 1.800 . 4.600 3.472 3.239 3.569 . 0 0 "[ . 1 . 2]" 1
285 1 54 ASP HB3 1 55 GLN HG3 1.800 . 6.200 5.571 5.009 6.088 . 0 0 "[ . 1 . 2]" 1
286 1 25 ILE HB 1 54 ASP H 1.800 . 4.900 4.791 4.337 4.927 0.027 15 0 "[ . 1 . 2]" 1
287 1 52 VAL H 1 54 ASP H 1.800 . 6.200 5.148 4.918 5.537 . 0 0 "[ . 1 . 2]" 1
288 1 52 VAL HA 1 54 ASP H 1.800 . 5.200 3.713 3.319 4.226 . 0 0 "[ . 1 . 2]" 1
289 1 54 ASP HB2 1 55 GLN H 1.800 . 5.600 4.026 2.911 4.559 . 0 0 "[ . 1 . 2]" 1
290 1 54 ASP HB3 1 55 GLN H 1.800 . 5.600 3.234 2.646 3.988 . 0 0 "[ . 1 . 2]" 1
291 1 54 ASP HA 1 55 GLN H 1.800 . 4.600 2.215 2.140 2.318 . 0 0 "[ . 1 . 2]" 1
292 1 54 ASP H 1 55 GLN H 1.800 . 6.200 4.525 4.321 4.635 . 0 0 "[ . 1 . 2]" 1
293 1 55 GLN H 1 89 SER H 1.800 . 4.600 3.278 3.134 3.382 . 0 0 "[ . 1 . 2]" 1
294 1 55 GLN H 1 88 PHE HA 1.800 . 4.900 4.881 4.672 4.931 0.031 2 0 "[ . 1 . 2]" 1
295 1 55 GLN H 1 89 SER HB3 1.800 . 5.200 5.216 5.188 5.249 0.049 6 0 "[ . 1 . 2]" 1
296 1 55 GLN H 1 89 SER HB2 1.800 . 5.200 4.936 4.679 5.297 0.097 15 0 "[ . 1 . 2]" 1
297 1 22 THR MG 1 55 GLN HE21 1.800 . 3.900 2.553 1.872 3.902 0.002 10 0 "[ . 1 . 2]" 1
298 1 16 ASP HB3 1 55 GLN HE21 1.800 . 4.900 3.134 2.230 4.847 . 0 0 "[ . 1 . 2]" 1
299 1 22 THR HB 1 55 GLN HE21 1.800 . 4.900 4.655 3.964 4.909 0.009 16 0 "[ . 1 . 2]" 1
300 1 24 SER HA 1 55 GLN HE21 1.800 . 5.400 5.052 4.349 5.404 0.004 10 0 "[ . 1 . 2]" 1
301 1 55 GLN HA 1 56 LEU H 1.800 . 3.600 2.188 2.139 2.262 . 0 0 "[ . 1 . 2]" 1
302 1 55 GLN HG2 1 56 LEU H 1.800 . 5.600 4.470 4.057 4.931 . 0 0 "[ . 1 . 2]" 1
303 1 25 ILE H 1 56 LEU H 1.800 . 5.200 4.062 3.004 5.205 0.005 8 0 "[ . 1 . 2]" 1
304 1 29 THR MG 1 56 LEU HB2 1.800 . 5.900 5.250 4.559 5.914 0.014 13 0 "[ . 1 . 2]" 1
305 1 56 LEU HA 1 88 PHE HA 1.800 . 4.200 3.280 2.863 3.830 . 0 0 "[ . 1 . 2]" 1
306 1 56 LEU HA 1 57 VAL H 1.800 . 4.600 2.144 2.139 2.152 . 0 0 "[ . 1 . 2]" 1
307 1 57 VAL H 1 89 SER H 1.800 . 5.100 4.918 4.709 5.119 0.019 6 0 "[ . 1 . 2]" 1
308 1 57 VAL H 1 88 PHE HA 1.800 . 5.200 3.400 3.197 3.519 . 0 0 "[ . 1 . 2]" 1
309 1 56 LEU HB3 1 57 VAL HA 1.800 . 6.200 4.986 4.378 5.857 . 0 0 "[ . 1 . 2]" 1
310 1 57 VAL HA 1 58 ARG H 1.800 . 3.600 3.541 3.516 3.571 . 0 0 "[ . 1 . 2]" 1
311 1 57 VAL H 1 58 ARG H 1.800 . 5.600 2.085 1.936 2.367 . 0 0 "[ . 1 . 2]" 1
312 1 58 ARG H 1 86 VAL HA 1.800 . 6.200 4.867 4.448 5.412 . 0 0 "[ . 1 . 2]" 1
313 1 58 ARG HA 1 59 PHE H 1.800 . 3.600 2.930 2.922 2.952 . 0 0 "[ . 1 . 2]" 1
314 1 59 PHE H 1 62 TYR H 1.800 . 5.100 4.544 4.435 4.670 . 0 0 "[ . 1 . 2]" 1
315 1 58 ARG H 1 59 PHE H 1.800 . 5.200 2.751 2.662 2.771 . 0 0 "[ . 1 . 2]" 1
316 1 59 PHE H 1 60 ALA H 1.800 . 6.200 4.377 4.346 4.407 . 0 0 "[ . 1 . 2]" 1
317 1 59 PHE HB2 1 60 ALA H 1.800 . 5.600 4.030 3.945 4.088 . 0 0 "[ . 1 . 2]" 1
318 1 59 PHE HB3 1 60 ALA H 1.800 . 5.600 3.129 2.825 3.928 . 0 0 "[ . 1 . 2]" 1
319 1 59 PHE HA 1 60 ALA H 1.800 . 3.600 2.250 2.213 2.265 . 0 0 "[ . 1 . 2]" 1
320 1 60 ALA H 1 60 ALA MB 1.800 . 4.600 2.131 2.064 2.215 . 0 0 "[ . 1 . 2]" 1
321 1 60 ALA H 1 61 GLY H 1.800 . 5.000 4.360 4.323 4.392 . 0 0 "[ . 1 . 2]" 1
322 1 60 ALA H 1 62 TYR H 1.800 . 6.500 5.064 4.965 5.114 . 0 0 "[ . 1 . 2]" 1
323 1 59 PHE HB2 1 60 ALA MB 1.800 . 5.400 5.423 5.361 5.529 0.129 16 0 "[ . 1 . 2]" 1
324 1 60 ALA MB 1 87 VAL HB 1.800 . 6.000 6.033 6.002 6.087 0.087 15 0 "[ . 1 . 2]" 1
325 1 60 ALA HA 1 61 GLY H 1.800 . 3.600 2.164 2.156 2.174 . 0 0 "[ . 1 . 2]" 1
326 1 60 ALA MB 1 61 GLY H 1.800 . 5.600 3.406 3.372 3.449 . 0 0 "[ . 1 . 2]" 1
327 1 61 GLY H 1 62 TYR H 1.800 . 4.600 1.881 1.859 1.909 . 0 0 "[ . 1 . 2]" 1
328 1 61 GLY H 1 62 TYR HA 1.800 . 6.200 4.074 4.028 4.108 . 0 0 "[ . 1 . 2]" 1
329 1 61 GLY HA2 1 62 TYR H 1.800 . 5.600 3.290 3.243 3.353 . 0 0 "[ . 1 . 2]" 1
330 1 60 ALA HA 1 62 TYR H 1.800 . 6.400 3.557 3.527 3.608 . 0 0 "[ . 1 . 2]" 1
331 1 60 ALA MB 1 62 TYR H 1.800 . 5.400 4.732 4.710 4.764 . 0 0 "[ . 1 . 2]" 1
332 1 62 TYR H 1 94 VAL MG2 1.800 . 6.400 6.116 5.636 6.411 0.011 12 0 "[ . 1 . 2]" 1
333 1 22 THR MG 1 62 TYR HA 1.800 . 6.400 4.752 3.603 5.352 . 0 0 "[ . 1 . 2]" 1
334 1 62 TYR HA 1 63 THR H 1.800 . 3.600 2.817 2.808 2.823 . 0 0 "[ . 1 . 2]" 1
335 1 63 THR H 1 63 THR MG 1.800 . 4.600 1.982 1.904 2.062 . 0 0 "[ . 1 . 2]" 1
336 1 62 TYR H 1 63 THR H 1.800 . 6.400 2.686 2.679 2.711 . 0 0 "[ . 1 . 2]" 1
337 1 22 THR MG 1 63 THR HB 1.800 . 5.400 5.428 5.407 5.445 0.045 19 0 "[ . 1 . 2]" 1
338 1 59 PHE H 1 63 THR MG 1.800 . 5.100 5.173 5.144 5.212 0.112 19 0 "[ . 1 . 2]" 1
339 1 21 THR HB 1 63 THR HA 1.800 . 5.100 4.161 3.658 4.729 . 0 0 "[ . 1 . 2]" 1
340 1 21 THR HB 1 63 THR MG 1.800 . 5.600 5.108 4.705 5.606 0.006 8 0 "[ . 1 . 2]" 1
341 1 21 THR HB 1 63 THR HB 1.800 . 4.900 3.956 3.439 4.525 . 0 0 "[ . 1 . 2]" 1
342 1 63 THR HA 1 63 THR MG 1.800 . 5.600 3.183 3.179 3.187 . 0 0 "[ . 1 . 2]" 1
343 1 63 THR HA 1 64 VAL H 1.800 . 3.600 2.262 2.151 2.336 . 0 0 "[ . 1 . 2]" 1
344 1 63 THR HB 1 64 VAL H 1.800 . 5.600 3.878 3.714 4.145 . 0 0 "[ . 1 . 2]" 1
345 1 63 THR H 1 64 VAL H 1.800 . 6.200 4.429 4.306 4.498 . 0 0 "[ . 1 . 2]" 1
346 1 21 THR HB 1 64 VAL H 1.800 . 4.900 4.443 3.771 4.906 0.006 4 0 "[ . 1 . 2]" 1
347 1 57 VAL HA 1 64 VAL HA 1.800 . 5.900 4.151 3.756 4.581 . 0 0 "[ . 1 . 2]" 1
348 1 64 VAL HA 1 69 ALA MB 1.800 . 6.200 4.479 3.905 5.375 . 0 0 "[ . 1 . 2]" 1
349 1 64 VAL HA 1 65 THR H 1.800 . 4.600 2.329 2.313 2.376 . 0 0 "[ . 1 . 2]" 1
350 1 64 VAL HB 1 65 THR H 1.800 . 5.600 3.812 3.584 4.004 . 0 0 "[ . 1 . 2]" 1
351 1 65 THR H 1 65 THR MG 1.800 . 5.600 3.598 3.285 3.840 . 0 0 "[ . 1 . 2]" 1
352 1 64 VAL H 1 65 THR H 1.800 . 6.200 4.409 4.382 4.492 . 0 0 "[ . 1 . 2]" 1
353 1 65 THR H 1 66 GLU H 1.800 . 5.200 2.757 2.535 2.922 . 0 0 "[ . 1 . 2]" 1
354 1 65 THR HA 1 65 THR MG 1.800 . 5.900 2.199 2.017 2.364 . 0 0 "[ . 1 . 2]" 1
355 1 65 THR H 1 69 ALA MB 1.800 . 4.900 2.971 2.602 3.575 . 0 0 "[ . 1 . 2]" 1
356 1 65 THR MG 1 66 GLU HB3 1.800 . 4.900 3.976 3.002 4.875 . 0 0 "[ . 1 . 2]" 1
357 1 65 THR HB 1 66 GLU H 1.800 . 5.600 2.107 1.934 2.298 . 0 0 "[ . 1 . 2]" 1
358 1 66 GLU H 1 67 LEU HA 1.800 . 6.200 5.028 4.904 5.129 . 0 0 "[ . 1 . 2]" 1
359 1 66 GLU H 1 70 PHE H 1.800 . 4.900 4.138 3.733 4.473 . 0 0 "[ . 1 . 2]" 1
360 1 66 GLU H 1 69 ALA MB 1.800 . 4.900 2.105 1.939 2.443 . 0 0 "[ . 1 . 2]" 1
361 1 66 GLU HB2 1 67 LEU HB3 1.800 . 5.800 4.425 4.083 4.672 . 0 0 "[ . 1 . 2]" 1
362 1 23 LEU HG 1 66 GLU HA 1.800 . 5.800 4.682 4.441 4.935 . 0 0 "[ . 1 . 2]" 1
363 1 23 LEU HB2 1 66 GLU HA 1.800 . 5.800 4.371 3.705 5.682 . 0 0 "[ . 1 . 2]" 1
364 1 66 GLU HB3 1 67 LEU H 1.800 . 5.600 3.494 3.412 3.576 . 0 0 "[ . 1 . 2]" 1
365 1 66 GLU HA 1 67 LEU H 1.800 . 3.600 2.665 2.535 2.732 . 0 0 "[ . 1 . 2]" 1
366 1 67 LEU H 1 68 ALA MB 1.800 . 5.600 4.377 4.213 4.422 . 0 0 "[ . 1 . 2]" 1
367 1 67 LEU H 1 70 PHE H 1.800 . 6.000 4.957 4.807 5.083 . 0 0 "[ . 1 . 2]" 1
368 1 66 GLU H 1 67 LEU H 1.800 . 5.000 4.346 4.323 4.360 . 0 0 "[ . 1 . 2]" 1
369 1 11 VAL HB 1 67 LEU HB3 1.800 . 5.900 4.128 2.830 5.092 . 0 0 "[ . 1 . 2]" 1
370 1 67 LEU HA 1 70 PHE HB2 1.800 . 4.900 3.488 2.922 4.060 . 0 0 "[ . 1 . 2]" 1
371 1 67 LEU HA 1 70 PHE HB3 1.800 . 4.900 2.767 2.580 3.004 . 0 0 "[ . 1 . 2]" 1
372 1 67 LEU HA 1 70 PHE HA 1.800 . 5.600 5.346 5.103 5.573 . 0 0 "[ . 1 . 2]" 1
373 1 67 LEU HB3 1 68 ALA MB 1.800 . 5.600 5.467 5.299 5.553 . 0 0 "[ . 1 . 2]" 1
374 1 67 LEU HA 1 68 ALA MB 1.800 . 5.600 4.992 4.974 5.010 . 0 0 "[ . 1 . 2]" 1
375 1 67 LEU HA 1 68 ALA H 1.800 . 5.600 3.496 3.466 3.522 . 0 0 "[ . 1 . 2]" 1
376 1 67 LEU HB2 1 68 ALA H 1.800 . 5.600 3.791 3.642 3.951 . 0 0 "[ . 1 . 2]" 1
377 1 67 LEU HB3 1 68 ALA H 1.800 . 5.600 4.054 3.827 4.171 . 0 0 "[ . 1 . 2]" 1
378 1 68 ALA H 1 69 ALA HA 1.800 . 5.600 5.307 5.225 5.364 . 0 0 "[ . 1 . 2]" 1
379 1 68 ALA H 1 68 ALA MB 1.800 . 5.600 2.186 2.106 2.235 . 0 0 "[ . 1 . 2]" 1
380 1 68 ALA H 1 70 PHE HB3 1.800 . 5.500 5.271 4.987 5.492 . 0 0 "[ . 1 . 2]" 1
381 1 68 ALA H 1 70 PHE H 1.800 . 4.500 4.056 3.966 4.168 . 0 0 "[ . 1 . 2]" 1
382 1 68 ALA H 1 71 ASN HB2 1.800 . 6.500 5.117 4.639 5.457 . 0 0 "[ . 1 . 2]" 1
383 1 68 ALA H 1 69 ALA H 1.800 . 5.100 2.702 2.605 2.769 . 0 0 "[ . 1 . 2]" 1
384 1 66 GLU HA 1 68 ALA H 1.800 . 4.900 4.397 4.198 4.550 . 0 0 "[ . 1 . 2]" 1
385 1 66 GLU HB3 1 68 ALA H 1.800 . 5.300 4.343 4.208 4.452 . 0 0 "[ . 1 . 2]" 1
386 1 68 ALA MB 1 71 ASN HB3 1.800 . 5.300 4.586 3.882 5.203 . 0 0 "[ . 1 . 2]" 1
387 1 66 GLU HB3 1 68 ALA MB 1.800 . 5.300 4.656 4.534 4.772 . 0 0 "[ . 1 . 2]" 1
388 1 68 ALA MB 1 69 ALA H 1.800 . 4.600 2.558 2.482 2.698 . 0 0 "[ . 1 . 2]" 1
389 1 68 ALA HA 1 69 ALA H 1.800 . 3.600 3.539 3.512 3.547 . 0 0 "[ . 1 . 2]" 1
390 1 69 ALA H 1 69 ALA MB 1.800 . 5.600 2.123 2.034 2.227 . 0 0 "[ . 1 . 2]" 1
391 1 69 ALA H 1 70 PHE HA 1.800 . 5.600 5.206 5.171 5.289 . 0 0 "[ . 1 . 2]" 1
392 1 69 ALA H 1 70 PHE H 1.800 . 4.900 2.580 2.558 2.670 . 0 0 "[ . 1 . 2]" 1
393 1 66 GLU HA 1 69 ALA H 1.800 . 5.200 4.670 4.566 4.805 . 0 0 "[ . 1 . 2]" 1
394 1 69 ALA H 1 71 ASN HB2 1.800 . 6.200 5.261 4.682 5.921 . 0 0 "[ . 1 . 2]" 1
395 1 66 GLU HB3 1 69 ALA H 1.800 . 5.000 4.983 4.876 5.014 0.014 10 0 "[ . 1 . 2]" 1
396 1 67 LEU HB3 1 69 ALA H 1.800 . 6.200 5.950 5.713 6.084 . 0 0 "[ . 1 . 2]" 1
397 1 69 ALA H 1 70 PHE HB3 1.800 . 4.900 4.852 4.686 4.946 0.046 1 0 "[ . 1 . 2]" 1
398 1 69 ALA HA 1 72 THR MG 1.800 . 4.900 4.017 2.068 4.909 0.009 18 0 "[ . 1 . 2]" 1
399 1 69 ALA MB 1 70 PHE H 1.800 . 4.600 2.758 2.677 2.822 . 0 0 "[ . 1 . 2]" 1
400 1 69 ALA HA 1 70 PHE H 1.800 . 4.600 3.510 3.505 3.512 . 0 0 "[ . 1 . 2]" 1
401 1 70 PHE H 1 71 ASN H 1.800 . 5.000 2.482 2.347 2.645 . 0 0 "[ . 1 . 2]" 1
402 1 70 PHE H 1 71 ASN HB2 1.800 . 5.000 4.486 4.187 4.842 . 0 0 "[ . 1 . 2]" 1
403 1 70 PHE HA 1 73 VAL MG2 1.800 . 5.100 2.512 1.862 3.104 . 0 0 "[ . 1 . 2]" 1
404 1 70 PHE HA 1 71 ASN H 1.800 . 4.600 3.474 3.383 3.507 . 0 0 "[ . 1 . 2]" 1
405 1 70 PHE HB2 1 71 ASN H 1.800 . 4.600 4.039 3.914 4.215 . 0 0 "[ . 1 . 2]" 1
406 1 70 PHE HB3 1 71 ASN H 1.800 . 4.600 2.923 2.765 3.240 . 0 0 "[ . 1 . 2]" 1
407 1 69 ALA H 1 71 ASN H 1.800 . 4.900 3.993 3.846 4.123 . 0 0 "[ . 1 . 2]" 1
408 1 71 ASN H 1 72 THR H 1.800 . 4.900 2.643 2.472 2.757 . 0 0 "[ . 1 . 2]" 1
409 1 71 ASN H 1 73 VAL MG2 1.800 . 5.600 4.607 3.824 5.256 . 0 0 "[ . 1 . 2]" 1
410 1 71 ASN HA 1 74 VAL HB 1.800 . 4.900 3.439 2.510 4.299 . 0 0 "[ . 1 . 2]" 1
411 1 70 PHE HB3 1 71 ASN HB3 1.800 . 6.100 5.628 5.092 6.124 0.024 7 0 "[ . 1 . 2]" 1
412 1 68 ALA HA 1 71 ASN HD21 1.800 . 5.900 5.783 5.501 5.917 0.017 10 0 "[ . 1 . 2]" 1
413 1 4 ARG H 1 71 ASN HD21 1.800 . 5.900 5.817 5.217 5.921 0.021 1 0 "[ . 1 . 2]" 1
414 1 68 ALA HA 1 71 ASN HB3 1.800 . 5.300 3.510 2.381 4.368 . 0 0 "[ . 1 . 2]" 1
415 1 71 ASN HB3 1 72 THR H 1.800 . 5.600 2.801 2.550 3.046 . 0 0 "[ . 1 . 2]" 1
416 1 71 ASN HB2 1 72 THR H 1.800 . 5.600 3.570 2.998 4.063 . 0 0 "[ . 1 . 2]" 1
417 1 71 ASN HA 1 72 THR H 1.800 . 4.600 3.523 3.502 3.547 . 0 0 "[ . 1 . 2]" 1
418 1 72 THR H 1 72 THR MG 1.800 . 5.600 2.995 1.863 3.694 . 0 0 "[ . 1 . 2]" 1
419 1 70 PHE H 1 72 THR H 1.800 . 4.900 4.233 3.969 4.583 . 0 0 "[ . 1 . 2]" 1
420 1 72 THR H 1 73 VAL H 1.800 . 4.900 2.554 2.502 2.651 . 0 0 "[ . 1 . 2]" 1
421 1 70 PHE HB2 1 72 THR H 1.800 . 6.200 5.886 5.744 6.081 . 0 0 "[ . 1 . 2]" 1
422 1 69 ALA MB 1 72 THR H 1.800 . 5.200 4.747 4.415 5.059 . 0 0 "[ . 1 . 2]" 1
423 1 68 ALA MB 1 72 THR H 1.800 . 5.900 5.130 4.502 5.517 . 0 0 "[ . 1 . 2]" 1
424 1 72 THR HB 1 75 ALA MB 1.800 . 5.900 4.873 4.648 5.259 . 0 0 "[ . 1 . 2]" 1
425 1 72 THR HA 1 73 VAL H 1.800 . 4.600 3.530 3.510 3.554 . 0 0 "[ . 1 . 2]" 1
426 1 72 THR MG 1 73 VAL H 1.800 . 4.600 3.590 1.911 4.236 . 0 0 "[ . 1 . 2]" 1
427 1 73 VAL H 1 73 VAL MG2 1.800 . 4.600 2.119 1.867 2.350 . 0 0 "[ . 1 . 2]" 1
428 1 73 VAL H 1 74 VAL H 1.800 . 4.900 2.616 2.567 2.795 . 0 0 "[ . 1 . 2]" 1
429 1 73 VAL H 1 77 HIS H 1.800 . 6.500 6.020 5.817 6.271 . 0 0 "[ . 1 . 2]" 1
430 1 71 ASN HB3 1 73 VAL H 1.800 . 5.200 5.118 4.898 5.257 0.057 3 0 "[ . 1 . 2]" 1
431 1 70 PHE HA 1 73 VAL HB 1.800 . 4.900 3.310 2.402 4.682 . 0 0 "[ . 1 . 2]" 1
432 1 73 VAL HA 1 76 ARG HB2 1.800 . 4.900 3.198 2.545 3.578 . 0 0 "[ . 1 . 2]" 1
433 1 73 VAL HA 1 73 VAL MG1 1.800 . 5.500 2.352 2.260 2.417 . 0 0 "[ . 1 . 2]" 1
434 1 73 VAL HB 1 74 VAL H 1.800 . 4.600 2.910 2.420 3.655 . 0 0 "[ . 1 . 2]" 1
435 1 73 VAL MG1 1 74 VAL H 1.800 . 4.600 3.531 3.179 3.952 . 0 0 "[ . 1 . 2]" 1
436 1 73 VAL MG2 1 74 VAL H 1.800 . 4.600 3.186 1.967 3.863 . 0 0 "[ . 1 . 2]" 1
437 1 74 VAL H 1 75 ALA MB 1.800 . 5.600 4.308 4.244 4.417 . 0 0 "[ . 1 . 2]" 1
438 1 74 VAL H 1 75 ALA H 1.800 . 4.600 2.681 2.579 2.803 . 0 0 "[ . 1 . 2]" 1
439 1 70 PHE H 1 74 VAL H 1.800 . 5.900 5.944 5.866 5.984 0.084 18 0 "[ . 1 . 2]" 1
440 1 71 ASN HA 1 74 VAL H 1.800 . 5.000 3.705 3.535 3.902 . 0 0 "[ . 1 . 2]" 1
441 1 70 PHE HA 1 74 VAL H 1.800 . 4.900 3.828 3.729 3.987 . 0 0 "[ . 1 . 2]" 1
442 1 73 VAL MG2 1 74 VAL HB 1.800 . 6.000 4.871 2.950 5.926 . 0 0 "[ . 1 . 2]" 1
443 1 71 ASN H 1 74 VAL HB 1.800 . 6.000 5.412 4.820 5.811 . 0 0 "[ . 1 . 2]" 1
444 1 74 VAL HA 1 75 ALA H 1.800 . 4.900 3.526 3.510 3.559 . 0 0 "[ . 1 . 2]" 1
445 1 74 VAL HB 1 75 ALA H 1.800 . 4.900 3.295 2.442 3.949 . 0 0 "[ . 1 . 2]" 1
446 1 75 ALA H 1 77 HIS H 1.800 . 6.200 3.859 3.751 4.041 . 0 0 "[ . 1 . 2]" 1
447 1 75 ALA MB 1 76 ARG H 1.800 . 5.600 2.557 2.467 2.840 . 0 0 "[ . 1 . 2]" 1
448 1 75 ALA HA 1 76 ARG H 1.800 . 5.600 3.542 3.494 3.550 . 0 0 "[ . 1 . 2]" 1
449 1 76 ARG H 1 77 HIS HA 1.800 . 6.200 5.035 4.960 5.205 . 0 0 "[ . 1 . 2]" 1
450 1 74 VAL HB 1 76 ARG H 1.800 . 5.900 5.530 4.863 5.979 0.079 12 0 "[ . 1 . 2]" 1
451 1 73 VAL HB 1 76 ARG H 1.800 . 5.900 5.543 5.226 5.654 . 0 0 "[ . 1 . 2]" 1
452 1 73 VAL HA 1 76 ARG H 1.800 . 5.000 3.576 3.388 3.722 . 0 0 "[ . 1 . 2]" 1
453 1 73 VAL H 1 76 ARG H 1.800 . 5.000 4.959 4.759 5.079 0.079 4 0 "[ . 1 . 2]" 1
454 1 76 ARG H 1 77 HIS H 1.800 . 4.900 2.395 2.334 2.567 . 0 0 "[ . 1 . 2]" 1
455 1 73 VAL MG2 1 76 ARG H 1.800 . 6.200 5.218 5.069 5.336 . 0 0 "[ . 1 . 2]" 1
456 1 72 THR MG 1 76 ARG HB2 1.800 . 6.200 5.596 4.656 6.207 0.007 18 0 "[ . 1 . 2]" 1
457 1 76 ARG HB2 1 77 HIS H 1.800 . 4.600 3.077 2.982 3.171 . 0 0 "[ . 1 . 2]" 1
458 1 76 ARG HA 1 77 HIS H 1.800 . 4.600 3.460 3.421 3.506 . 0 0 "[ . 1 . 2]" 1
459 1 73 VAL MG2 1 77 HIS H 1.800 . 5.600 5.450 4.973 5.692 0.092 15 0 "[ . 1 . 2]" 1
460 1 76 ARG HB2 1 77 HIS HA 1.800 . 5.600 4.579 4.146 4.881 . 0 0 "[ . 1 . 2]" 1
461 1 78 VAL H 1 78 VAL MG1 1.800 . 5.600 3.158 2.234 3.760 . 0 0 "[ . 1 . 2]" 1
462 1 78 VAL H 1 78 VAL MG2 1.800 . 5.600 2.404 1.989 3.770 . 0 0 "[ . 1 . 2]" 1
463 1 78 VAL H 1 79 ARG HA 1.800 . 6.200 5.747 5.670 5.798 . 0 0 "[ . 1 . 2]" 1
464 1 78 VAL H 1 79 ARG H 1.800 . 4.900 4.342 4.247 4.433 . 0 0 "[ . 1 . 2]" 1
465 1 78 VAL HA 1 78 VAL MG1 1.800 . 5.000 2.437 2.251 3.184 . 0 0 "[ . 1 . 2]" 1
466 1 78 VAL HA 1 78 VAL MG2 1.800 . 6.200 2.566 2.159 3.193 . 0 0 "[ . 1 . 2]" 1
467 1 34 GLY H 1 78 VAL MG1 1.800 . 5.900 4.160 3.183 5.884 . 0 0 "[ . 1 . 2]" 1
468 1 78 VAL HA 1 79 ARG H 1.800 . 4.900 2.171 2.144 2.209 . 0 0 "[ . 1 . 2]" 1
469 1 78 VAL HB 1 79 ARG H 1.800 . 4.900 4.186 3.558 4.518 . 0 0 "[ . 1 . 2]" 1
470 1 78 VAL MG1 1 79 ARG H 1.800 . 5.600 3.472 2.819 4.171 . 0 0 "[ . 1 . 2]" 1
471 1 78 VAL MG2 1 79 ARG H 1.800 . 5.600 4.067 3.162 4.200 . 0 0 "[ . 1 . 2]" 1
472 1 79 ARG H 1 82 ALA H 1.800 . 5.400 4.213 4.109 4.444 . 0 0 "[ . 1 . 2]" 1
473 1 1 PRO HB3 1 79 ARG H 1.800 . 6.400 6.279 5.597 6.440 0.040 5 0 "[ . 1 . 2]" 1
474 1 79 ARG H 1 101 VAL HB 1.800 . 6.400 3.877 2.758 4.504 . 0 0 "[ . 1 . 2]" 1
475 1 80 PRO HB3 1 81 SER H 1.800 . 5.600 4.276 4.117 4.421 . 0 0 "[ . 1 . 2]" 1
476 1 80 PRO HB2 1 81 SER H 1.800 . 5.600 3.918 3.702 4.104 . 0 0 "[ . 1 . 2]" 1
477 1 80 PRO HA 1 81 SER H 1.800 . 4.000 2.192 2.152 2.271 . 0 0 "[ . 1 . 2]" 1
478 1 81 SER H 1 82 ALA H 1.800 . 5.000 2.721 2.689 2.815 . 0 0 "[ . 1 . 2]" 1
479 1 81 SER H 1 101 VAL H 1.800 . 5.900 5.864 5.585 5.956 0.056 10 0 "[ . 1 . 2]" 1
480 1 81 SER H 1 101 VAL HB 1.800 . 6.100 5.777 5.216 6.086 . 0 0 "[ . 1 . 2]" 1
481 1 81 SER H 1 102 GLY H 1.800 . 5.900 4.968 4.763 5.292 . 0 0 "[ . 1 . 2]" 1
482 1 81 SER H 1 102 GLY HA2 1.800 . 4.400 2.116 1.937 2.469 . 0 0 "[ . 1 . 2]" 1
483 1 82 ALA H 1 83 SER HA 1.800 . 6.500 5.075 4.865 5.213 . 0 0 "[ . 1 . 2]" 1
484 1 82 ALA H 1 82 ALA MB 1.800 . 5.000 2.207 2.100 2.445 . 0 0 "[ . 1 . 2]" 1
485 1 82 ALA H 1 83 SER H 1.800 . 5.000 4.307 4.177 4.448 . 0 0 "[ . 1 . 2]" 1
486 1 82 ALA H 1 101 VAL HB 1.800 . 5.000 4.538 3.771 5.084 0.084 12 0 "[ . 1 . 2]" 1
487 1 82 ALA H 1 101 VAL H 1.800 . 4.400 4.229 4.004 4.373 . 0 0 "[ . 1 . 2]" 1
488 1 82 ALA MB 1 101 VAL HB 1.800 . 5.400 4.233 3.652 4.927 . 0 0 "[ . 1 . 2]" 1
489 1 81 SER HA 1 82 ALA MB 1.800 . 6.100 4.562 4.520 4.598 . 0 0 "[ . 1 . 2]" 1
490 1 82 ALA MB 1 83 SER H 1.800 . 4.600 3.357 3.168 3.516 . 0 0 "[ . 1 . 2]" 1
491 1 82 ALA HA 1 83 SER H 1.800 . 4.600 2.159 2.141 2.205 . 0 0 "[ . 1 . 2]" 1
492 1 83 SER H 1 84 ILE H 1.800 . 6.000 4.438 4.288 4.581 . 0 0 "[ . 1 . 2]" 1
493 1 83 SER HB3 1 98 THR MG 1.800 . 6.000 3.232 2.627 4.116 . 0 0 "[ . 1 . 2]" 1
494 1 83 SER HA 1 100 VAL HA 1.800 . 4.200 2.222 1.991 2.555 . 0 0 "[ . 1 . 2]" 1
495 1 83 SER HB3 1 84 ILE H 1.800 . 6.000 3.635 3.113 4.288 . 0 0 "[ . 1 . 2]" 1
496 1 83 SER HB3 1 99 ILE H 1.800 . 6.000 5.395 4.428 6.021 0.021 1 0 "[ . 1 . 2]" 1
497 1 83 SER HA 1 99 ILE H 1.800 . 6.000 5.119 4.874 5.400 . 0 0 "[ . 1 . 2]" 1
498 1 83 SER HB2 1 84 ILE H 1.800 . 5.600 3.745 2.998 4.363 . 0 0 "[ . 1 . 2]" 1
499 1 83 SER HA 1 84 ILE H 1.800 . 5.600 2.170 2.139 2.226 . 0 0 "[ . 1 . 2]" 1
500 1 84 ILE H 1 99 ILE H 1.800 . 4.600 3.786 3.457 4.222 . 0 0 "[ . 1 . 2]" 1
501 1 84 ILE H 1 100 VAL HA 1.800 . 6.500 3.531 3.122 3.974 . 0 0 "[ . 1 . 2]" 1
502 1 84 ILE H 1 99 ILE HA 1.800 . 6.400 5.404 5.217 5.598 . 0 0 "[ . 1 . 2]" 1
503 1 84 ILE H 1 99 ILE HB 1.800 . 6.400 4.898 3.776 5.640 . 0 0 "[ . 1 . 2]" 1
504 1 84 ILE H 1 98 THR MG 1.800 . 5.400 3.486 3.083 3.970 . 0 0 "[ . 1 . 2]" 1
505 1 85 PRO HA 1 86 VAL H 1.800 . 5.900 2.172 2.151 2.236 . 0 0 "[ . 1 . 2]" 1
506 1 85 PRO HA 1 98 THR MG 1.800 . 5.900 2.984 2.446 3.899 . 0 0 "[ . 1 . 2]" 1
507 1 85 PRO HA 1 99 ILE H 1.800 . 4.900 3.413 2.908 4.129 . 0 0 "[ . 1 . 2]" 1
508 1 85 PRO HB2 1 86 VAL H 1.800 . 5.600 3.581 3.097 3.908 . 0 0 "[ . 1 . 2]" 1
509 1 85 PRO HB3 1 86 VAL H 1.800 . 5.600 4.039 3.723 4.267 . 0 0 "[ . 1 . 2]" 1
510 1 86 VAL H 1 97 ALA H 1.800 . 4.100 3.949 3.334 4.122 0.022 9 0 "[ . 1 . 2]" 1
511 1 86 VAL H 1 96 SER HA 1.800 . 6.200 5.410 4.639 5.749 . 0 0 "[ . 1 . 2]" 1
512 1 86 VAL H 1 97 ALA MB 1.800 . 5.300 4.817 4.589 5.178 . 0 0 "[ . 1 . 2]" 1
513 1 86 VAL HA 1 87 VAL H 1.800 . 3.600 2.241 2.173 2.267 . 0 0 "[ . 1 . 2]" 1
514 1 86 VAL HB 1 87 VAL H 1.800 . 5.600 3.823 2.762 4.123 . 0 0 "[ . 1 . 2]" 1
515 1 57 VAL H 1 87 VAL H 1.800 . 4.600 4.598 4.397 4.657 0.057 6 0 "[ . 1 . 2]" 1
516 1 58 ARG H 1 87 VAL H 1.800 . 4.800 3.108 2.825 3.530 . 0 0 "[ . 1 . 2]" 1
517 1 58 ARG HA 1 87 VAL H 1.800 . 4.600 2.334 1.943 3.020 . 0 0 "[ . 1 . 2]" 1
518 1 87 VAL HA 1 96 SER HA 1.800 . 4.500 2.904 2.676 3.071 . 0 0 "[ . 1 . 2]" 1
519 1 87 VAL HA 1 88 PHE H 1.800 . 4.600 2.147 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
520 1 88 PHE H 1 89 SER H 1.800 . 6.200 4.488 4.458 4.516 . 0 0 "[ . 1 . 2]" 1
521 1 88 PHE H 1 96 SER HA 1.800 . 4.600 3.197 2.951 3.347 . 0 0 "[ . 1 . 2]" 1
522 1 88 PHE H 1 95 MET HG3 1.800 . 5.600 5.555 5.314 5.639 0.039 16 0 "[ . 1 . 2]" 1
523 1 88 PHE H 1 95 MET HB3 1.800 . 5.200 4.573 4.123 5.262 0.062 16 0 "[ . 1 . 2]" 1
524 1 88 PHE HB3 1 89 SER H 1.800 . 5.600 3.244 2.567 3.965 . 0 0 "[ . 1 . 2]" 1
525 1 88 PHE HA 1 89 SER H 1.800 . 4.600 2.329 2.272 2.386 . 0 0 "[ . 1 . 2]" 1
526 1 89 SER HB2 1 94 VAL HA 1.800 . 5.600 5.385 4.568 5.629 0.029 10 0 "[ . 1 . 2]" 1
527 1 56 LEU HA 1 89 SER H 1.800 . 4.900 4.481 4.087 4.903 0.003 9 0 "[ . 1 . 2]" 1
528 1 55 GLN HG3 1 89 SER HB2 1.800 . 5.600 4.799 2.533 5.606 0.006 13 0 "[ . 1 . 2]" 1
529 1 89 SER HA 1 94 VAL HA 1.800 . 4.900 3.575 3.414 3.759 . 0 0 "[ . 1 . 2]" 1
530 1 89 SER HA 1 90 ARG HB3 1.800 . 5.600 5.276 4.851 5.587 . 0 0 "[ . 1 . 2]" 1
531 1 89 SER HA 1 94 VAL MG2 1.800 . 5.200 4.938 4.613 5.224 0.024 17 0 "[ . 1 . 2]" 1
532 1 89 SER HB3 1 90 ARG H 1.800 . 5.600 3.090 2.923 4.056 . 0 0 "[ . 1 . 2]" 1
533 1 89 SER HB2 1 90 ARG H 1.800 . 5.600 4.151 2.830 4.323 . 0 0 "[ . 1 . 2]" 1
534 1 89 SER HA 1 90 ARG H 1.800 . 3.900 2.247 2.197 2.264 . 0 0 "[ . 1 . 2]" 1
535 1 90 ARG H 1 91 ASP HB2 1.800 . 6.200 5.446 5.263 5.594 . 0 0 "[ . 1 . 2]" 1
536 1 90 ARG H 1 91 ASP H 1.800 . 5.900 3.754 3.598 3.983 . 0 0 "[ . 1 . 2]" 1
537 1 90 ARG H 1 94 VAL H 1.800 . 6.000 4.966 4.860 5.122 . 0 0 "[ . 1 . 2]" 1
538 1 90 ARG H 1 93 VAL H 1.800 . 4.000 2.555 2.193 2.865 . 0 0 "[ . 1 . 2]" 1
539 1 90 ARG H 1 94 VAL HA 1.800 . 5.000 4.657 4.515 4.802 . 0 0 "[ . 1 . 2]" 1
540 1 90 ARG HA 1 91 ASP H 1.800 . 3.600 2.268 2.186 2.360 . 0 0 "[ . 1 . 2]" 1
541 1 91 ASP H 1 92 GLY H 1.800 . 4.600 2.671 2.646 2.687 . 0 0 "[ . 1 . 2]" 1
542 1 91 ASP H 1 92 GLY HA3 1.800 . 6.000 5.298 5.285 5.307 . 0 0 "[ . 1 . 2]" 1
543 1 91 ASP H 1 93 VAL H 1.800 . 5.900 3.866 3.709 4.011 . 0 0 "[ . 1 . 2]" 1
544 1 16 ASP HA 1 91 ASP H 1.800 . 5.900 5.596 4.877 5.916 0.016 15 0 "[ . 1 . 2]" 1
545 1 90 ARG HA 1 91 ASP HB2 1.800 . 5.900 4.821 4.577 4.897 . 0 0 "[ . 1 . 2]" 1
546 1 16 ASP HB2 1 91 ASP HB2 1.800 . 5.900 5.252 4.721 6.290 0.390 11 0 "[ . 1 . 2]" 1
547 1 91 ASP HB2 1 92 GLY H 1.800 . 6.500 4.174 4.100 4.207 . 0 0 "[ . 1 . 2]" 1
548 1 91 ASP HB3 1 92 GLY H 1.800 . 6.500 4.556 4.488 4.576 . 0 0 "[ . 1 . 2]" 1
549 1 90 ARG H 1 92 GLY H 1.800 . 5.900 3.476 3.303 3.681 . 0 0 "[ . 1 . 2]" 1
550 1 92 GLY H 1 93 VAL H 1.800 . 4.600 2.383 2.164 2.541 . 0 0 "[ . 1 . 2]" 1
551 1 92 GLY H 1 93 VAL HB 1.800 . 6.000 4.486 4.409 4.568 . 0 0 "[ . 1 . 2]" 1
552 1 16 ASP HB2 1 92 GLY H 1.800 . 4.900 2.932 2.553 3.869 . 0 0 "[ . 1 . 2]" 1
553 1 92 GLY HA3 1 93 VAL H 1.800 . 4.600 3.231 3.119 3.389 . 0 0 "[ . 1 . 2]" 1
554 1 91 ASP HB2 1 93 VAL H 1.800 . 6.200 3.985 3.621 4.514 . 0 0 "[ . 1 . 2]" 1
555 1 91 ASP HB3 1 93 VAL H 1.800 . 6.200 5.165 4.858 5.576 . 0 0 "[ . 1 . 2]" 1
556 1 89 SER HA 1 93 VAL H 1.800 . 5.900 4.330 3.890 4.625 . 0 0 "[ . 1 . 2]" 1
557 1 90 ARG H 1 93 VAL HB 1.800 . 4.900 2.108 1.940 2.409 . 0 0 "[ . 1 . 2]" 1
558 1 93 VAL HA 1 94 VAL H 1.800 . 3.600 2.232 2.210 2.248 . 0 0 "[ . 1 . 2]" 1
559 1 93 VAL HB 1 94 VAL H 1.800 . 5.600 3.987 3.923 4.046 . 0 0 "[ . 1 . 2]" 1
560 1 93 VAL H 1 94 VAL H 1.800 . 5.600 4.597 4.549 4.623 . 0 0 "[ . 1 . 2]" 1
561 1 94 VAL H 1 95 MET H 1.800 . 5.600 4.274 4.235 4.329 . 0 0 "[ . 1 . 2]" 1
562 1 89 SER HA 1 94 VAL H 1.800 . 6.200 5.199 5.126 5.341 . 0 0 "[ . 1 . 2]" 1
563 1 94 VAL HA 1 94 VAL MG2 1.800 . 5.200 2.375 2.278 2.431 . 0 0 "[ . 1 . 2]" 1
564 1 94 VAL HA 1 95 MET H 1.800 . 3.600 2.146 2.142 2.148 . 0 0 "[ . 1 . 2]" 1
565 1 94 VAL MG2 1 95 MET H 1.800 . 4.600 3.834 2.858 4.209 . 0 0 "[ . 1 . 2]" 1
566 1 95 MET H 1 96 SER H 1.800 . 6.200 4.381 4.299 4.426 . 0 0 "[ . 1 . 2]" 1
567 1 95 MET H 1 95 MET HG3 1.800 . 6.200 4.453 3.085 4.666 . 0 0 "[ . 1 . 2]" 1
568 1 88 PHE H 1 95 MET H 1.800 . 4.900 4.096 3.897 4.194 . 0 0 "[ . 1 . 2]" 1
569 1 89 SER HA 1 95 MET H 1.800 . 4.900 3.558 3.451 3.680 . 0 0 "[ . 1 . 2]" 1
570 1 89 SER HB2 1 95 MET H 1.800 . 6.000 5.789 5.514 5.979 . 0 0 "[ . 1 . 2]" 1
571 1 89 SER HB3 1 95 MET H 1.800 . 6.000 5.943 5.159 6.056 0.056 10 0 "[ . 1 . 2]" 1
572 1 95 MET HA 1 96 SER H 1.800 . 3.600 2.311 2.244 2.413 . 0 0 "[ . 1 . 2]" 1
573 1 95 MET HB2 1 96 SER H 1.800 . 4.600 3.958 3.378 4.100 . 0 0 "[ . 1 . 2]" 1
574 1 95 MET HB3 1 96 SER H 1.800 . 4.600 3.555 2.488 3.986 . 0 0 "[ . 1 . 2]" 1
575 1 95 MET HG2 1 96 SER H 1.800 . 5.600 3.837 3.180 4.473 . 0 0 "[ . 1 . 2]" 1
576 1 95 MET HG3 1 96 SER H 1.800 . 5.600 2.440 1.940 5.060 . 0 0 "[ . 1 . 2]" 1
577 1 96 SER HA 1 97 ALA MB 1.800 . 6.400 3.932 3.878 3.960 . 0 0 "[ . 1 . 2]" 1
578 1 96 SER HA 1 97 ALA H 1.800 . 3.600 2.161 2.153 2.189 . 0 0 "[ . 1 . 2]" 1
579 1 97 ALA H 1 97 ALA MB 1.800 . 4.600 2.610 2.560 2.661 . 0 0 "[ . 1 . 2]" 1
580 1 97 ALA H 1 98 THR H 1.800 . 5.900 4.327 4.320 4.336 . 0 0 "[ . 1 . 2]" 1
581 1 97 ALA H 1 98 THR HA 1.800 . 4.900 4.729 4.704 4.742 . 0 0 "[ . 1 . 2]" 1
582 1 96 SER H 1 97 ALA H 1.800 . 5.900 4.332 4.230 4.438 . 0 0 "[ . 1 . 2]" 1
583 1 86 VAL HB 1 97 ALA H 1.800 . 5.600 4.948 4.373 5.633 0.033 10 0 "[ . 1 . 2]" 1
584 1 87 VAL HB 1 97 ALA H 1.800 . 6.500 6.168 5.495 6.586 0.086 10 0 "[ . 1 . 2]" 1
585 1 97 ALA HA 1 98 THR H 1.800 . 3.600 2.202 2.198 2.212 . 0 0 "[ . 1 . 2]" 1
586 1 48 ALA MB 1 98 THR HA 1.800 . 5.400 5.433 5.403 5.494 0.094 18 0 "[ . 1 . 2]" 1
587 1 86 VAL H 1 98 THR HA 1.800 . 4.900 3.016 2.653 3.484 . 0 0 "[ . 1 . 2]" 1
588 1 48 ALA MB 1 98 THR MG 1.800 . 5.400 5.053 4.535 5.397 . 0 0 "[ . 1 . 2]" 1
589 1 98 THR HB 1 99 ILE H 1.800 . 5.400 4.070 3.720 4.227 . 0 0 "[ . 1 . 2]" 1
590 1 98 THR HA 1 98 THR MG 1.800 . 5.400 2.231 1.992 2.397 . 0 0 "[ . 1 . 2]" 1
591 1 98 THR HA 1 99 ILE H 1.800 . 3.600 2.152 2.142 2.174 . 0 0 "[ . 1 . 2]" 1
592 1 98 THR MG 1 99 ILE H 1.800 . 4.600 2.545 2.310 2.959 . 0 0 "[ . 1 . 2]" 1
593 1 48 ALA MB 1 99 ILE HA 1.800 . 5.400 2.000 1.875 2.550 . 0 0 "[ . 1 . 2]" 1
594 1 99 ILE HA 1 100 VAL H 1.800 . 3.600 2.147 2.140 2.149 . 0 0 "[ . 1 . 2]" 1
595 1 99 ILE HB 1 100 VAL H 1.800 . 5.600 3.719 3.264 4.271 . 0 0 "[ . 1 . 2]" 1
596 1 48 ALA MB 1 100 VAL H 1.800 . 5.600 2.510 1.916 3.798 . 0 0 "[ . 1 . 2]" 1
597 1 100 VAL HA 1 101 VAL H 1.800 . 4.600 2.146 2.142 2.149 . 0 0 "[ . 1 . 2]" 1
598 1 100 VAL HB 1 101 VAL H 1.800 . 5.600 4.116 3.510 4.320 . 0 0 "[ . 1 . 2]" 1
599 1 101 VAL H 1 102 GLY H 1.800 . 6.000 4.421 4.172 4.552 . 0 0 "[ . 1 . 2]" 1
600 1 100 VAL H 1 101 VAL H 1.800 . 6.000 4.286 4.175 4.479 . 0 0 "[ . 1 . 2]" 1
601 1 83 SER HA 1 101 VAL H 1.800 . 4.900 3.172 2.591 3.749 . 0 0 "[ . 1 . 2]" 1
602 1 82 ALA MB 1 101 VAL H 1.800 . 5.400 4.338 3.983 4.675 . 0 0 "[ . 1 . 2]" 1
603 1 101 VAL HA 1 102 GLY H 1.800 . 4.600 2.177 2.147 2.308 . 0 0 "[ . 1 . 2]" 1
604 1 101 VAL HB 1 102 GLY H 1.800 . 5.600 4.011 3.318 4.400 . 0 0 "[ . 1 . 2]" 1
605 1 44 PRO HA 1 102 GLY H 1.800 . 5.800 4.258 3.297 5.089 . 0 0 "[ . 1 . 2]" 1
606 1 102 GLY HA2 1 103 GLU H 1.800 . 5.600 2.154 2.152 2.158 . 0 0 "[ . 1 . 2]" 1
607 1 102 GLY HA3 1 103 GLU H 1.800 . 5.600 3.350 3.346 3.360 . 0 0 "[ . 1 . 2]" 1
608 1 101 VAL HA 1 103 GLU H 1.800 . 6.000 5.666 5.523 5.847 . 0 0 "[ . 1 . 2]" 1
609 1 103 GLU H 1 104 LEU H 1.800 . 6.000 2.341 2.215 2.656 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 28
_Distance_constraint_stats_list.Viol_count 560
_Distance_constraint_stats_list.Viol_total 560.949
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0363
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0501
_Distance_constraint_stats_list.Viol_average_violations_only 0.0501
_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 10 ARG 0.979 0.056 15 0 "[ . 1 . 2]"
1 12 ALA 2.722 0.086 10 0 "[ . 1 . 2]"
1 24 SER 2.722 0.086 10 0 "[ . 1 . 2]"
1 26 GLN 0.979 0.056 15 0 "[ . 1 . 2]"
1 55 GLN 4.104 0.097 15 0 "[ . 1 . 2]"
1 57 VAL 1.539 0.096 14 0 "[ . 1 . 2]"
1 59 PHE 2.086 0.096 5 0 "[ . 1 . 2]"
1 62 TYR 2.086 0.096 5 0 "[ . 1 . 2]"
1 82 ALA 6.622 0.202 19 0 "[ . 1 . 2]"
1 84 ILE 1.429 0.075 10 0 "[ . 1 . 2]"
1 86 VAL 1.246 0.079 6 0 "[ . 1 . 2]"
1 87 VAL 1.539 0.096 14 0 "[ . 1 . 2]"
1 88 PHE 4.695 0.158 15 0 "[ . 1 . 2]"
1 89 SER 4.104 0.097 15 0 "[ . 1 . 2]"
1 90 ARG 2.625 0.174 6 0 "[ . 1 . 2]"
1 93 VAL 2.625 0.174 6 0 "[ . 1 . 2]"
1 95 MET 4.695 0.158 15 0 "[ . 1 . 2]"
1 97 ALA 1.246 0.079 6 0 "[ . 1 . 2]"
1 99 ILE 1.429 0.075 10 0 "[ . 1 . 2]"
1 101 VAL 6.622 0.202 19 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 10 ARG O 1 26 GLN H 2.500 2.500 2.500 2.515 2.495 2.534 0.034 18 0 "[ . 1 . 2]" 2
2 1 10 ARG O 1 26 GLN N 3.500 3.500 3.500 3.467 3.444 3.485 0.056 15 0 "[ . 1 . 2]" 2
3 1 12 ALA H 1 24 SER O 2.500 2.500 2.500 2.533 2.513 2.559 0.059 15 0 "[ . 1 . 2]" 2
4 1 12 ALA N 1 24 SER O 3.500 3.500 3.500 3.483 3.461 3.510 0.039 1 0 "[ . 1 . 2]" 2
5 1 12 ALA O 1 24 SER H 2.500 2.500 2.500 2.526 2.492 2.562 0.062 13 0 "[ . 1 . 2]" 2
6 1 12 ALA O 1 24 SER N 3.500 3.500 3.500 3.442 3.414 3.485 0.086 10 0 "[ . 1 . 2]" 2
7 1 82 ALA O 1 101 VAL H 2.500 2.500 2.500 2.545 2.517 2.579 0.079 3 0 "[ . 1 . 2]" 2
8 1 82 ALA O 1 101 VAL N 3.500 3.500 3.500 3.455 3.425 3.481 0.075 13 0 "[ . 1 . 2]" 2
9 1 82 ALA H 1 101 VAL O 2.500 2.500 2.500 2.619 2.552 2.702 0.202 19 0 "[ . 1 . 2]" 2
10 1 82 ALA N 1 101 VAL O 3.500 3.500 3.500 3.378 3.326 3.433 0.174 10 0 "[ . 1 . 2]" 2
11 1 84 ILE O 1 99 ILE H 2.500 2.500 2.500 2.548 2.519 2.575 0.075 10 0 "[ . 1 . 2]" 2
12 1 84 ILE O 1 99 ILE N 3.500 3.500 3.500 3.477 3.442 3.501 0.058 11 0 "[ . 1 . 2]" 2
13 1 86 VAL O 1 97 ALA H 2.500 2.500 2.500 2.522 2.482 2.579 0.079 6 0 "[ . 1 . 2]" 2
14 1 86 VAL O 1 97 ALA N 3.500 3.500 3.500 3.464 3.427 3.492 0.073 15 0 "[ . 1 . 2]" 2
15 1 88 PHE O 1 95 MET H 2.500 2.500 2.500 2.601 2.519 2.658 0.158 15 0 "[ . 1 . 2]" 2
16 1 88 PHE O 1 95 MET N 3.500 3.500 3.500 3.503 3.422 3.565 0.078 10 0 "[ . 1 . 2]" 2
17 1 88 PHE H 1 95 MET O 2.500 2.500 2.500 2.529 2.493 2.556 0.056 10 0 "[ . 1 . 2]" 2
18 1 88 PHE N 1 95 MET O 3.500 3.500 3.500 3.423 3.400 3.458 0.100 11 0 "[ . 1 . 2]" 2
19 1 90 ARG H 1 93 VAL O 2.500 2.500 2.500 2.503 2.470 2.536 0.036 11 0 "[ . 1 . 2]" 2
20 1 90 ARG N 1 93 VAL O 3.500 3.500 3.500 3.382 3.326 3.414 0.174 6 0 "[ . 1 . 2]" 2
21 1 55 GLN H 1 89 SER O 2.500 2.500 2.500 2.553 2.495 2.590 0.090 17 0 "[ . 1 . 2]" 2
22 1 55 GLN N 1 89 SER O 3.500 3.500 3.500 3.442 3.409 3.495 0.091 6 0 "[ . 1 . 2]" 2
23 1 55 GLN O 1 89 SER H 2.500 2.500 2.500 2.545 2.523 2.597 0.097 15 0 "[ . 1 . 2]" 2
24 1 55 GLN O 1 89 SER N 3.500 3.500 3.500 3.452 3.408 3.499 0.092 20 0 "[ . 1 . 2]" 2
25 1 57 VAL H 1 87 VAL O 2.500 2.500 2.500 2.553 2.527 2.587 0.087 19 0 "[ . 1 . 2]" 2
26 1 57 VAL N 1 87 VAL O 3.500 3.500 3.500 3.490 3.404 3.536 0.096 14 0 "[ . 1 . 2]" 2
27 1 59 PHE O 1 62 TYR H 2.500 2.500 2.500 2.560 2.510 2.596 0.096 5 0 "[ . 1 . 2]" 2
28 1 59 PHE O 1 62 TYR N 3.500 3.500 3.500 3.455 3.431 3.480 0.069 6 0 "[ . 1 . 2]" 2
stop_
save_
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