NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
595510 |
2n7p   |
25816 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n7p
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 627
_Distance_constraint_stats_list.Viol_count 873
_Distance_constraint_stats_list.Viol_total 634.552
_Distance_constraint_stats_list.Viol_max 0.331
_Distance_constraint_stats_list.Viol_rms 0.0130
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0025
_Distance_constraint_stats_list.Viol_average_violations_only 0.0363
_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 0.081 0.052 2 0 "[ . 1 . 2]"
1 2 LEU 0.318 0.072 17 0 "[ . 1 . 2]"
1 3 THR 0.148 0.050 19 0 "[ . 1 . 2]"
1 4 ARG 0.116 0.044 5 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 1.366 0.168 19 0 "[ . 1 . 2]"
1 8 GLY 0.129 0.025 16 0 "[ . 1 . 2]"
1 9 PHE 2.480 0.168 19 0 "[ . 1 . 2]"
1 10 ARG 0.560 0.077 11 0 "[ . 1 . 2]"
1 11 VAL 0.020 0.020 11 0 "[ . 1 . 2]"
1 12 ALA 0.021 0.012 13 0 "[ . 1 . 2]"
1 13 VAL 0.128 0.022 3 0 "[ . 1 . 2]"
1 14 GLY 0.290 0.034 20 0 "[ . 1 . 2]"
1 15 ARG 0.077 0.033 19 0 "[ . 1 . 2]"
1 16 ASP 1.423 0.087 19 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.015 0.015 20 0 "[ . 1 . 2]"
1 20 CYS 0.417 0.087 19 0 "[ . 1 . 2]"
1 21 THR 0.426 0.070 9 0 "[ . 1 . 2]"
1 22 THR 0.861 0.072 7 0 "[ . 1 . 2]"
1 23 LEU 0.531 0.050 9 0 "[ . 1 . 2]"
1 24 SER 0.043 0.013 4 0 "[ . 1 . 2]"
1 25 ILE 0.020 0.018 7 0 "[ . 1 . 2]"
1 26 GLN 0.928 0.077 11 0 "[ . 1 . 2]"
1 27 GLU 0.058 0.021 17 0 "[ . 1 . 2]"
1 28 VAL 0.610 0.058 4 0 "[ . 1 . 2]"
1 29 THR 0.178 0.025 16 0 "[ . 1 . 2]"
1 30 GLN 0.971 0.121 13 0 "[ . 1 . 2]"
1 31 THR 1.476 0.128 15 0 "[ . 1 . 2]"
1 32 TYR 0.772 0.167 13 0 "[ . 1 . 2]"
1 33 THR 0.816 0.086 8 0 "[ . 1 . 2]"
1 34 GLY 1.109 0.167 13 0 "[ . 1 . 2]"
1 35 SER 0.384 0.091 19 0 "[ . 1 . 2]"
1 36 ASN 0.414 0.072 17 0 "[ . 1 . 2]"
1 37 GLY 1.604 0.178 17 0 "[ . 1 . 2]"
1 38 GLY 0.495 0.086 8 0 "[ . 1 . 2]"
1 39 ALA 0.587 0.091 19 0 "[ . 1 . 2]"
1 40 ASP 0.715 0.068 15 0 "[ . 1 . 2]"
1 41 LEU 0.305 0.086 12 0 "[ . 1 . 2]"
1 42 MET 0.014 0.014 13 0 "[ . 1 . 2]"
1 43 GLY 0.869 0.128 15 0 "[ . 1 . 2]"
1 44 PRO 0.568 0.080 19 0 "[ . 1 . 2]"
1 45 ALA 0.188 0.084 20 0 "[ . 1 . 2]"
1 46 PHE 0.087 0.087 20 0 "[ . 1 . 2]"
1 47 ALA 0.052 0.052 20 0 "[ . 1 . 2]"
1 48 ALA 0.547 0.073 11 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 LEU 0.971 0.121 13 0 "[ . 1 . 2]"
1 51 ARG 0.134 0.033 20 0 "[ . 1 . 2]"
1 52 VAL 0.747 0.058 19 0 "[ . 1 . 2]"
1 53 GLY 0.136 0.033 20 0 "[ . 1 . 2]"
1 54 ASP 0.027 0.024 17 0 "[ . 1 . 2]"
1 55 GLN 1.138 0.118 18 0 "[ . 1 . 2]"
1 56 LEU 0.136 0.069 18 0 "[ . 1 . 2]"
1 57 VAL 0.697 0.090 14 0 "[ . 1 . 2]"
1 58 ARG 0.596 0.137 2 0 "[ . 1 . 2]"
1 59 PHE 2.326 0.203 13 0 "[ . 1 . 2]"
1 60 ALA 1.988 0.177 11 0 "[ . 1 . 2]"
1 61 GLY 0.115 0.066 13 0 "[ . 1 . 2]"
1 62 TYR 0.443 0.097 10 0 "[ . 1 . 2]"
1 63 THR 2.171 0.203 13 0 "[ . 1 . 2]"
1 64 VAL 0.222 0.040 6 0 "[ . 1 . 2]"
1 65 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLU 0.342 0.050 9 0 "[ . 1 . 2]"
1 67 LEU 2.672 0.149 10 0 "[ . 1 . 2]"
1 68 ALA 0.036 0.016 19 0 "[ . 1 . 2]"
1 69 ALA 0.155 0.028 4 0 "[ . 1 . 2]"
1 70 PHE 3.621 0.149 10 0 "[ . 1 . 2]"
1 71 ASN 0.627 0.062 11 0 "[ . 1 . 2]"
1 72 THR 1.158 0.108 18 0 "[ . 1 . 2]"
1 73 VAL 0.703 0.077 13 0 "[ . 1 . 2]"
1 74 VAL 1.830 0.123 10 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ARG 1.397 0.108 18 0 "[ . 1 . 2]"
1 77 HIS 1.196 0.171 17 0 "[ . 1 . 2]"
1 78 VAL 0.425 0.094 14 0 "[ . 1 . 2]"
1 79 ARG 1.085 0.171 17 0 "[ . 1 . 2]"
1 80 PRO 1.009 0.178 17 0 "[ . 1 . 2]"
1 81 SER 1.080 0.136 1 0 "[ . 1 . 2]"
1 82 ALA 0.091 0.038 17 0 "[ . 1 . 2]"
1 83 SER 0.007 0.007 14 0 "[ . 1 . 2]"
1 84 ILE 0.015 0.015 16 0 "[ . 1 . 2]"
1 85 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.489 0.065 14 0 "[ . 1 . 2]"
1 87 VAL 2.424 0.137 2 0 "[ . 1 . 2]"
1 88 PHE 1.016 0.123 9 0 "[ . 1 . 2]"
1 89 SER 0.854 0.079 18 0 "[ . 1 . 2]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 ASP 0.973 0.073 20 0 "[ . 1 . 2]"
1 92 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 VAL 0.312 0.097 10 0 "[ . 1 . 2]"
1 95 MET 0.772 0.123 9 0 "[ . 1 . 2]"
1 96 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ALA 0.531 0.065 14 0 "[ . 1 . 2]"
1 98 THR 0.489 0.073 11 0 "[ . 1 . 2]"
1 99 ILE 0.007 0.007 14 0 "[ . 1 . 2]"
1 100 VAL 0.517 0.331 17 0 "[ . 1 . 2]"
1 101 VAL 1.477 0.331 17 0 "[ . 1 . 2]"
1 102 GLY 1.058 0.136 1 0 "[ . 1 . 2]"
1 103 GLU 0.025 0.013 17 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 2.474 2.152 3.153 . 0 0 "[ . 1 . 2]" 1
2 1 1 PRO HB2 1 2 LEU H 1.800 . 4.600 3.425 2.073 4.311 . 0 0 "[ . 1 . 2]" 1
3 1 2 LEU H 1 3 THR MG 1.800 . 6.000 4.903 3.436 5.915 . 0 0 "[ . 1 . 2]" 1
4 1 2 LEU H 1 3 THR H 1.800 . 6.000 3.154 1.928 4.358 . 0 0 "[ . 1 . 2]" 1
5 1 2 LEU HA 1 3 THR H 1.800 . 3.600 2.498 2.161 2.959 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 3 THR MG 1.800 . 6.000 3.307 2.050 3.953 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR H 1 4 ARG H 1.800 . 6.000 4.515 4.453 4.583 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR H 1 76 ARG H 1.800 . 6.500 5.918 4.607 6.550 0.050 19 0 "[ . 1 . 2]" 1
9 1 3 THR HA 1 4 ARG H 1.800 . 3.600 2.376 2.297 2.446 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR HB 1 4 ARG H 1.800 . 4.600 3.514 2.856 3.926 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR MG 1 4 ARG H 1.800 . 6.000 2.384 1.904 3.246 . 0 0 "[ . 1 . 2]" 1
12 1 5 PRO HA 1 6 TYR H 1.800 . 3.600 2.544 2.242 3.562 . 0 0 "[ . 1 . 2]" 1
13 1 6 TYR HB2 1 7 LEU H 1.800 . 5.600 3.987 2.692 4.483 . 0 0 "[ . 1 . 2]" 1
14 1 6 TYR HA 1 7 LEU H 1.800 . 3.600 2.231 2.147 2.300 . 0 0 "[ . 1 . 2]" 1
15 1 6 TYR HB3 1 7 LEU H 1.800 . 5.600 3.505 2.703 4.165 . 0 0 "[ . 1 . 2]" 1
16 1 6 TYR H 1 7 LEU H 1.800 . 6.200 4.465 4.314 4.596 . 0 0 "[ . 1 . 2]" 1
17 1 7 LEU H 1 9 PHE H 1.800 . 5.600 5.657 5.376 5.768 0.168 19 0 "[ . 1 . 2]" 1
18 1 8 GLY HA2 1 29 THR HB 1.800 . 6.200 5.995 5.540 6.225 0.025 16 0 "[ . 1 . 2]" 1
19 1 8 GLY HA2 1 9 PHE H 1.800 . 4.600 2.962 2.202 3.194 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLY HA3 1 9 PHE H 1.800 . 4.600 3.458 3.351 3.565 . 0 0 "[ . 1 . 2]" 1
21 1 9 PHE H 1 10 ARG H 1.800 . 5.600 4.415 4.354 4.600 . 0 0 "[ . 1 . 2]" 1
22 1 9 PHE H 1 67 LEU HB3 1.800 . 6.000 6.040 6.004 6.129 0.129 11 0 "[ . 1 . 2]" 1
23 1 9 PHE HB3 1 28 VAL MG2 1.800 . 6.000 5.377 4.955 5.850 . 0 0 "[ . 1 . 2]" 1
24 1 9 PHE HA 1 28 VAL MG2 1.800 . 6.000 5.948 5.673 6.058 0.058 4 0 "[ . 1 . 2]" 1
25 1 9 PHE HB3 1 10 ARG H 1.800 . 4.600 3.649 3.478 3.891 . 0 0 "[ . 1 . 2]" 1
26 1 9 PHE HB2 1 10 ARG H 1.800 . 4.600 2.184 1.948 2.498 . 0 0 "[ . 1 . 2]" 1
27 1 9 PHE HA 1 10 ARG H 1.800 . 4.600 2.554 2.422 2.683 . 0 0 "[ . 1 . 2]" 1
28 1 10 ARG H 1 26 GLN H 1.800 . 5.100 3.690 3.172 4.210 . 0 0 "[ . 1 . 2]" 1
29 1 10 ARG H 1 27 GLU H 1.800 . 4.900 3.536 2.982 3.909 . 0 0 "[ . 1 . 2]" 1
30 1 10 ARG H 1 26 GLN HA 1.800 . 6.200 5.791 5.509 6.213 0.013 16 0 "[ . 1 . 2]" 1
31 1 10 ARG HA 1 26 GLN HB2 1.800 . 5.200 5.225 5.144 5.277 0.077 11 0 "[ . 1 . 2]" 1
32 1 10 ARG HB2 1 26 GLN HB2 1.800 . 5.200 2.571 2.263 3.096 . 0 0 "[ . 1 . 2]" 1
33 1 10 ARG HA 1 11 VAL H 1.800 . 5.600 2.283 2.197 2.419 . 0 0 "[ . 1 . 2]" 1
34 1 10 ARG HB2 1 11 VAL H 1.800 . 5.600 4.038 3.703 4.313 . 0 0 "[ . 1 . 2]" 1
35 1 10 ARG HB3 1 11 VAL H 1.800 . 5.600 2.829 2.425 3.201 . 0 0 "[ . 1 . 2]" 1
36 1 10 ARG H 1 11 VAL H 1.800 . 5.600 4.489 4.428 4.515 . 0 0 "[ . 1 . 2]" 1
37 1 11 VAL H 1 26 GLN HE22 1.800 . 5.000 3.998 2.804 4.973 . 0 0 "[ . 1 . 2]" 1
38 1 11 VAL HA 1 12 ALA H 1.800 . 3.600 2.156 2.140 2.188 . 0 0 "[ . 1 . 2]" 1
39 1 11 VAL HB 1 12 ALA H 1.800 . 4.600 3.642 3.044 4.256 . 0 0 "[ . 1 . 2]" 1
40 1 12 ALA H 1 23 LEU HG 1.800 . 4.600 4.094 3.707 4.541 . 0 0 "[ . 1 . 2]" 1
41 1 12 ALA MB 1 23 LEU HG 1.800 . 6.000 4.718 4.370 4.970 . 0 0 "[ . 1 . 2]" 1
42 1 12 ALA H 1 23 LEU HA 1.800 . 5.100 4.253 3.878 4.590 . 0 0 "[ . 1 . 2]" 1
43 1 12 ALA H 1 25 ILE HA 1.800 . 5.200 4.420 3.997 4.741 . 0 0 "[ . 1 . 2]" 1
44 1 12 ALA MB 1 23 LEU HB3 1.800 . 5.400 5.144 4.748 5.412 0.012 13 0 "[ . 1 . 2]" 1
45 1 12 ALA HA 1 13 VAL H 1.800 . 3.600 2.143 2.142 2.144 . 0 0 "[ . 1 . 2]" 1
46 1 12 ALA MB 1 13 VAL H 1.800 . 4.600 3.208 3.188 3.252 . 0 0 "[ . 1 . 2]" 1
47 1 13 VAL H 1 14 GLY H 1.800 . 5.600 4.500 4.437 4.544 . 0 0 "[ . 1 . 2]" 1
48 1 13 VAL HB 1 23 LEU HB3 1.800 . 5.200 5.175 4.764 5.222 0.022 3 0 "[ . 1 . 2]" 1
49 1 13 VAL HA 1 23 LEU HA 1.800 . 4.500 2.869 2.574 3.098 . 0 0 "[ . 1 . 2]" 1
50 1 13 VAL HA 1 24 SER H 1.800 . 4.800 4.377 4.139 4.581 . 0 0 "[ . 1 . 2]" 1
51 1 13 VAL HA 1 23 LEU HB3 1.800 . 5.200 4.348 4.117 4.528 . 0 0 "[ . 1 . 2]" 1
52 1 13 VAL HA 1 23 LEU HG 1.800 . 5.200 2.259 1.995 2.546 . 0 0 "[ . 1 . 2]" 1
53 1 13 VAL HA 1 14 GLY H 1.800 . 3.600 2.161 2.144 2.185 . 0 0 "[ . 1 . 2]" 1
54 1 13 VAL HB 1 14 GLY H 1.800 . 4.600 4.187 4.098 4.256 . 0 0 "[ . 1 . 2]" 1
55 1 14 GLY H 1 15 ARG HA 1.800 . 6.000 4.596 4.542 4.681 . 0 0 "[ . 1 . 2]" 1
56 1 14 GLY H 1 22 THR H 1.800 . 4.000 3.791 3.259 4.034 0.034 20 0 "[ . 1 . 2]" 1
57 1 14 GLY H 1 23 LEU HB2 1.800 . 6.000 5.968 5.743 6.028 0.028 10 0 "[ . 1 . 2]" 1
58 1 14 GLY H 1 23 LEU HG 1.800 . 5.600 4.190 3.759 4.515 . 0 0 "[ . 1 . 2]" 1
59 1 14 GLY HA3 1 15 ARG H 1.800 . 4.600 2.272 2.175 2.508 . 0 0 "[ . 1 . 2]" 1
60 1 14 GLY HA2 1 15 ARG H 1.800 . 4.600 2.920 2.619 3.086 . 0 0 "[ . 1 . 2]" 1
61 1 14 GLY H 1 15 ARG H 1.800 . 5.600 4.226 4.120 4.378 . 0 0 "[ . 1 . 2]" 1
62 1 15 ARG H 1 16 ASP H 1.800 . 5.600 4.377 4.276 4.477 . 0 0 "[ . 1 . 2]" 1
63 1 15 ARG H 1 22 THR MG 1.800 . 6.000 5.786 5.289 6.033 0.033 19 0 "[ . 1 . 2]" 1
64 1 15 ARG HA 1 16 ASP H 1.800 . 3.600 2.199 2.152 2.241 . 0 0 "[ . 1 . 2]" 1
65 1 16 ASP H 1 17 SER H 1.800 . 5.600 4.467 4.442 4.495 . 0 0 "[ . 1 . 2]" 1
66 1 16 ASP HA 1 22 THR MG 1.800 . 5.100 4.773 4.302 5.128 0.028 13 0 "[ . 1 . 2]" 1
67 1 16 ASP HA 1 91 ASP HB3 1.800 . 4.900 4.685 4.233 4.927 0.027 9 0 "[ . 1 . 2]" 1
68 1 16 ASP HB2 1 91 ASP HB3 1.800 . 5.400 4.711 3.796 5.455 0.055 15 0 "[ . 1 . 2]" 1
69 1 16 ASP HB3 1 91 ASP HA 1.800 . 4.900 3.005 2.203 3.353 . 0 0 "[ . 1 . 2]" 1
70 1 16 ASP HB2 1 17 SER H 1.800 . 4.600 2.358 1.934 3.729 . 0 0 "[ . 1 . 2]" 1
71 1 16 ASP HB3 1 17 SER H 1.800 . 4.600 3.170 2.286 3.587 . 0 0 "[ . 1 . 2]" 1
72 1 17 SER H 1 18 SER H 1.800 . 5.600 2.678 2.541 2.718 . 0 0 "[ . 1 . 2]" 1
73 1 17 SER H 1 92 GLY H 1.800 . 4.600 3.792 3.356 4.142 . 0 0 "[ . 1 . 2]" 1
74 1 17 SER H 1 91 ASP HB3 1.800 . 4.600 3.613 2.576 4.490 . 0 0 "[ . 1 . 2]" 1
75 1 17 SER HA 1 18 SER H 1.800 . 4.600 3.462 3.443 3.468 . 0 0 "[ . 1 . 2]" 1
76 1 18 SER H 1 19 GLY H 1.800 . 5.600 2.509 2.258 2.885 . 0 0 "[ . 1 . 2]" 1
77 1 16 ASP HB3 1 18 SER H 1.800 . 5.600 3.804 2.256 4.271 . 0 0 "[ . 1 . 2]" 1
78 1 18 SER H 1 92 GLY H 1.800 . 5.500 4.014 2.745 4.763 . 0 0 "[ . 1 . 2]" 1
79 1 18 SER HA 1 19 GLY H 1.800 . 3.600 3.527 3.378 3.574 . 0 0 "[ . 1 . 2]" 1
80 1 19 GLY H 1 21 THR H 1.800 . 5.100 4.596 3.999 5.115 0.015 20 0 "[ . 1 . 2]" 1
81 1 15 ARG HA 1 19 GLY H 1.800 . 6.200 4.922 4.548 5.525 . 0 0 "[ . 1 . 2]" 1
82 1 19 GLY HA3 1 20 CYS H 1.800 . 4.600 3.551 3.521 3.569 . 0 0 "[ . 1 . 2]" 1
83 1 19 GLY HA2 1 20 CYS H 1.800 . 4.600 2.474 2.330 2.704 . 0 0 "[ . 1 . 2]" 1
84 1 20 CYS H 1 22 THR MG 1.800 . 6.200 3.578 2.905 4.119 . 0 0 "[ . 1 . 2]" 1
85 1 16 ASP H 1 20 CYS H 1.800 . 5.200 3.205 2.889 3.586 . 0 0 "[ . 1 . 2]" 1
86 1 16 ASP HB3 1 20 CYS H 1.800 . 5.200 5.148 4.732 5.287 0.087 19 0 "[ . 1 . 2]" 1
87 1 20 CYS HA 1 21 THR MG 1.800 . 5.900 5.186 4.334 5.561 . 0 0 "[ . 1 . 2]" 1
88 1 20 CYS HA 1 21 THR H 1.800 . 3.600 3.213 2.994 3.532 . 0 0 "[ . 1 . 2]" 1
89 1 21 THR H 1 22 THR HA 1.800 . 5.600 5.367 4.495 5.571 . 0 0 "[ . 1 . 2]" 1
90 1 21 THR H 1 21 THR MG 1.800 . 4.600 3.695 3.201 3.919 . 0 0 "[ . 1 . 2]" 1
91 1 21 THR H 1 22 THR MG 1.800 . 4.600 3.498 2.522 3.807 . 0 0 "[ . 1 . 2]" 1
92 1 16 ASP H 1 21 THR H 1.800 . 4.900 3.780 3.050 4.584 . 0 0 "[ . 1 . 2]" 1
93 1 15 ARG HA 1 21 THR MG 1.800 . 5.900 4.285 3.681 5.232 . 0 0 "[ . 1 . 2]" 1
94 1 21 THR MG 1 63 THR HB 1.800 . 5.900 5.093 3.818 5.698 . 0 0 "[ . 1 . 2]" 1
95 1 15 ARG HA 1 21 THR HA 1.800 . 4.900 3.126 2.613 3.836 . 0 0 "[ . 1 . 2]" 1
96 1 21 THR HB 1 22 THR HA 1.800 . 5.900 4.430 4.207 4.599 . 0 0 "[ . 1 . 2]" 1
97 1 20 CYS HA 1 21 THR HA 1.800 . 5.900 5.027 4.838 5.219 . 0 0 "[ . 1 . 2]" 1
98 1 21 THR HA 1 22 THR MG 1.800 . 5.900 3.802 3.683 3.969 . 0 0 "[ . 1 . 2]" 1
99 1 21 THR HA 1 21 THR MG 1.800 . 5.900 2.104 1.955 2.231 . 0 0 "[ . 1 . 2]" 1
100 1 21 THR HB 1 22 THR H 1.800 . 5.600 4.203 3.823 4.359 . 0 0 "[ . 1 . 2]" 1
101 1 21 THR HA 1 22 THR H 1.800 . 4.600 2.246 2.157 2.324 . 0 0 "[ . 1 . 2]" 1
102 1 21 THR MG 1 22 THR H 1.800 . 6.000 3.583 3.090 3.941 . 0 0 "[ . 1 . 2]" 1
103 1 22 THR H 1 22 THR MG 1.800 . 6.000 2.318 2.075 2.851 . 0 0 "[ . 1 . 2]" 1
104 1 21 THR H 1 22 THR H 1.800 . 5.000 3.396 3.026 3.623 . 0 0 "[ . 1 . 2]" 1
105 1 14 GLY HA3 1 22 THR H 1.800 . 6.000 5.453 4.865 5.800 . 0 0 "[ . 1 . 2]" 1
106 1 15 ARG HA 1 22 THR H 1.800 . 4.900 3.333 2.886 3.580 . 0 0 "[ . 1 . 2]" 1
107 1 22 THR MG 1 55 GLN HG2 1.800 . 5.200 4.630 4.088 5.221 0.021 13 0 "[ . 1 . 2]" 1
108 1 22 THR HA 1 22 THR MG 1.800 . 6.200 3.030 2.444 3.195 . 0 0 "[ . 1 . 2]" 1
109 1 16 ASP HB3 1 22 THR MG 1.800 . 4.300 3.282 2.640 4.261 . 0 0 "[ . 1 . 2]" 1
110 1 15 ARG HA 1 22 THR MG 1.800 . 5.300 3.937 3.457 4.369 . 0 0 "[ . 1 . 2]" 1
111 1 22 THR MG 1 63 THR HA 1.800 . 5.300 4.311 3.816 4.831 . 0 0 "[ . 1 . 2]" 1
112 1 22 THR HB 1 23 LEU H 1.800 . 4.600 3.514 2.526 3.935 . 0 0 "[ . 1 . 2]" 1
113 1 22 THR HA 1 23 LEU H 1.800 . 3.600 2.303 2.207 2.378 . 0 0 "[ . 1 . 2]" 1
114 1 22 THR MG 1 23 LEU H 1.800 . 6.000 3.910 3.715 4.108 . 0 0 "[ . 1 . 2]" 1
115 1 22 THR H 1 23 LEU H 1.800 . 6.000 4.397 4.330 4.468 . 0 0 "[ . 1 . 2]" 1
116 1 23 LEU H 1 23 LEU HG 1.800 . 6.000 4.218 3.738 4.457 . 0 0 "[ . 1 . 2]" 1
117 1 12 ALA MB 1 23 LEU HA 1.800 . 5.000 4.557 4.290 4.857 . 0 0 "[ . 1 . 2]" 1
118 1 23 LEU HB3 1 24 SER H 1.800 . 4.600 2.945 2.509 3.678 . 0 0 "[ . 1 . 2]" 1
119 1 23 LEU HB2 1 24 SER H 1.800 . 4.600 4.123 3.818 4.508 . 0 0 "[ . 1 . 2]" 1
120 1 23 LEU HA 1 24 SER H 1.800 . 3.600 2.255 2.141 2.368 . 0 0 "[ . 1 . 2]" 1
121 1 12 ALA MB 1 24 SER H 1.800 . 4.200 3.542 3.141 3.790 . 0 0 "[ . 1 . 2]" 1
122 1 11 VAL HA 1 24 SER H 1.800 . 5.500 4.244 3.673 4.944 . 0 0 "[ . 1 . 2]" 1
123 1 24 SER HA 1 56 LEU H 1.800 . 6.000 3.345 2.704 3.984 . 0 0 "[ . 1 . 2]" 1
124 1 24 SER HA 1 55 GLN HA 1.800 . 4.200 2.041 1.969 2.391 . 0 0 "[ . 1 . 2]" 1
125 1 24 SER HA 1 25 ILE H 1.800 . 3.600 2.180 2.155 2.224 . 0 0 "[ . 1 . 2]" 1
126 1 25 ILE H 1 54 ASP H 1.800 . 5.300 3.802 3.506 4.096 . 0 0 "[ . 1 . 2]" 1
127 1 25 ILE H 1 53 GLY HA2 1.800 . 6.200 4.969 4.540 5.228 . 0 0 "[ . 1 . 2]" 1
128 1 25 ILE H 1 55 GLN HA 1.800 . 4.300 2.749 2.253 3.231 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL HA 1 25 ILE HA 1.800 . 4.900 3.177 2.959 3.350 . 0 0 "[ . 1 . 2]" 1
130 1 26 GLN H 1 27 GLU H 1.800 . 4.600 2.532 2.341 2.695 . 0 0 "[ . 1 . 2]" 1
131 1 11 VAL HA 1 26 GLN H 1.800 . 4.900 3.756 3.210 4.215 . 0 0 "[ . 1 . 2]" 1
132 1 26 GLN HB2 1 52 VAL HB 1.800 . 5.600 5.400 4.982 5.609 0.009 13 0 "[ . 1 . 2]" 1
133 1 12 ALA MB 1 26 GLN HE22 1.800 . 4.600 2.531 1.979 3.321 . 0 0 "[ . 1 . 2]" 1
134 1 10 ARG HB2 1 26 GLN HE22 1.800 . 4.600 4.088 3.386 4.545 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL HA 1 26 GLN HE22 1.800 . 5.600 3.678 2.302 4.649 . 0 0 "[ . 1 . 2]" 1
136 1 26 GLN HB3 1 27 GLU H 1.800 . 4.600 4.275 3.936 4.403 . 0 0 "[ . 1 . 2]" 1
137 1 26 GLN HA 1 27 GLU H 1.800 . 4.600 3.188 3.025 3.440 . 0 0 "[ . 1 . 2]" 1
138 1 26 GLN HB2 1 27 GLU H 1.800 . 4.600 3.664 3.069 3.979 . 0 0 "[ . 1 . 2]" 1
139 1 9 PHE HA 1 27 GLU H 1.800 . 5.200 5.019 4.524 5.221 0.021 17 0 "[ . 1 . 2]" 1
140 1 9 PHE HB3 1 27 GLU H 1.800 . 6.200 4.861 4.568 5.294 . 0 0 "[ . 1 . 2]" 1
141 1 28 VAL MG1 1 45 ALA MB 1.800 . 4.900 2.949 1.822 3.661 . 0 0 "[ . 1 . 2]" 1
142 1 28 VAL MG1 1 45 ALA HA 1.800 . 5.900 4.535 3.629 5.564 . 0 0 "[ . 1 . 2]" 1
143 1 28 VAL HA 1 28 VAL MG1 1.800 . 5.900 2.223 2.105 2.314 . 0 0 "[ . 1 . 2]" 1
144 1 28 VAL MG1 1 29 THR H 1.800 . 6.000 3.924 3.064 4.220 . 0 0 "[ . 1 . 2]" 1
145 1 28 VAL MG2 1 29 THR H 1.800 . 6.000 4.257 4.120 4.398 . 0 0 "[ . 1 . 2]" 1
146 1 28 VAL HA 1 29 THR H 1.800 . 3.600 2.263 2.167 2.478 . 0 0 "[ . 1 . 2]" 1
147 1 28 VAL HB 1 29 THR H 1.800 . 5.600 4.066 3.748 4.374 . 0 0 "[ . 1 . 2]" 1
148 1 29 THR H 1 30 GLN H 1.800 . 5.600 2.474 2.165 2.718 . 0 0 "[ . 1 . 2]" 1
149 1 29 THR HA 1 29 THR MG 1.800 . 5.900 3.201 3.189 3.207 . 0 0 "[ . 1 . 2]" 1
150 1 28 VAL HA 1 29 THR HA 1.800 . 6.200 4.475 4.418 4.604 . 0 0 "[ . 1 . 2]" 1
151 1 29 THR MG 1 30 GLN H 1.800 . 5.600 2.798 2.245 3.446 . 0 0 "[ . 1 . 2]" 1
152 1 29 THR HB 1 30 GLN H 1.800 . 5.600 4.320 4.081 4.550 . 0 0 "[ . 1 . 2]" 1
153 1 29 THR HA 1 30 GLN H 1.800 . 3.600 3.293 3.025 3.476 . 0 0 "[ . 1 . 2]" 1
154 1 30 GLN H 1 31 THR MG 1.800 . 5.600 4.018 2.898 4.930 . 0 0 "[ . 1 . 2]" 1
155 1 30 GLN H 1 31 THR H 1.800 . 5.200 3.113 2.551 4.100 . 0 0 "[ . 1 . 2]" 1
156 1 30 GLN H 1 50 LEU HB2 1.800 . 4.900 4.946 4.902 5.021 0.121 13 0 "[ . 1 . 2]" 1
157 1 30 GLN HE22 1 50 LEU HB2 1.800 . 4.900 4.356 2.834 4.917 0.017 10 0 "[ . 1 . 2]" 1
158 1 30 GLN HA 1 31 THR H 1.800 . 4.600 2.938 2.273 3.538 . 0 0 "[ . 1 . 2]" 1
159 1 31 THR H 1 32 TYR HA 1.800 . 5.600 4.873 4.400 5.631 0.031 17 0 "[ . 1 . 2]" 1
160 1 31 THR H 1 31 THR MG 1.800 . 5.600 3.062 2.172 3.867 . 0 0 "[ . 1 . 2]" 1
161 1 29 THR HA 1 31 THR H 1.800 . 5.500 3.694 3.265 4.607 . 0 0 "[ . 1 . 2]" 1
162 1 31 THR H 1 43 GLY H 1.800 . 5.500 5.523 5.381 5.628 0.128 15 0 "[ . 1 . 2]" 1
163 1 29 THR MG 1 31 THR H 1.800 . 5.500 4.609 4.352 4.920 . 0 0 "[ . 1 . 2]" 1
164 1 31 THR HB 1 40 ASP HA 1.800 . 5.200 4.984 4.078 5.262 0.062 3 0 "[ . 1 . 2]" 1
165 1 31 THR HA 1 42 MET HA 1.800 . 4.900 2.904 1.995 4.914 0.014 13 0 "[ . 1 . 2]" 1
166 1 31 THR HA 1 31 THR MG 1.800 . 5.200 2.178 1.988 2.466 . 0 0 "[ . 1 . 2]" 1
167 1 31 THR MG 1 41 LEU H 1.800 . 5.200 4.550 3.770 5.136 . 0 0 "[ . 1 . 2]" 1
168 1 31 THR MG 1 40 ASP HA 1.800 . 5.900 5.794 5.251 5.968 0.068 15 0 "[ . 1 . 2]" 1
169 1 31 THR MG 1 32 TYR H 1.800 . 6.000 4.328 4.151 4.426 . 0 0 "[ . 1 . 2]" 1
170 1 31 THR HA 1 32 TYR H 1.800 . 3.600 2.798 2.142 3.122 . 0 0 "[ . 1 . 2]" 1
171 1 31 THR HB 1 32 TYR H 1.800 . 4.600 4.251 3.513 4.483 . 0 0 "[ . 1 . 2]" 1
172 1 32 TYR H 1 33 THR H 1.800 . 5.200 4.375 4.270 4.458 . 0 0 "[ . 1 . 2]" 1
173 1 31 THR H 1 32 TYR H 1.800 . 5.200 2.698 1.851 4.435 . 0 0 "[ . 1 . 2]" 1
174 1 32 TYR H 1 41 LEU H 1.800 . 4.800 4.297 3.270 4.886 0.086 12 0 "[ . 1 . 2]" 1
175 1 32 TYR H 1 40 ASP HA 1.800 . 6.200 4.282 3.543 6.066 . 0 0 "[ . 1 . 2]" 1
176 1 32 TYR HA 1 33 THR H 1.800 . 3.600 2.283 2.238 2.446 . 0 0 "[ . 1 . 2]" 1
177 1 32 TYR HB2 1 33 THR H 1.800 . 4.600 3.572 2.367 4.259 . 0 0 "[ . 1 . 2]" 1
178 1 32 TYR HB3 1 33 THR H 1.800 . 4.600 3.409 2.844 4.166 . 0 0 "[ . 1 . 2]" 1
179 1 33 THR H 1 33 THR MG 1.800 . 4.600 3.313 2.134 4.021 . 0 0 "[ . 1 . 2]" 1
180 1 33 THR H 1 34 GLY H 1.800 . 5.200 4.219 2.191 4.550 . 0 0 "[ . 1 . 2]" 1
181 1 33 THR HB 1 40 ASP HA 1.800 . 5.900 4.234 3.200 5.119 . 0 0 "[ . 1 . 2]" 1
182 1 33 THR HA 1 33 THR MG 1.800 . 6.200 2.589 1.949 3.205 . 0 0 "[ . 1 . 2]" 1
183 1 33 THR MG 1 39 ALA HA 1.800 . 4.900 4.079 1.924 4.954 0.054 5 0 "[ . 1 . 2]" 1
184 1 33 THR MG 1 38 GLY HA2 1.800 . 5.200 3.539 1.904 5.208 0.008 9 0 "[ . 1 . 2]" 1
185 1 33 THR MG 1 40 ASP HA 1.800 . 5.200 4.209 2.995 5.206 0.006 13 0 "[ . 1 . 2]" 1
186 1 33 THR HA 1 34 GLY H 1.800 . 3.600 2.626 2.201 2.899 . 0 0 "[ . 1 . 2]" 1
187 1 33 THR HB 1 34 GLY H 1.800 . 4.600 3.149 2.145 4.463 . 0 0 "[ . 1 . 2]" 1
188 1 33 THR MG 1 34 GLY H 1.800 . 6.000 2.593 1.920 4.363 . 0 0 "[ . 1 . 2]" 1
189 1 34 GLY H 1 35 SER H 1.800 . 4.600 3.272 1.881 4.607 0.007 10 0 "[ . 1 . 2]" 1
190 1 32 TYR HA 1 34 GLY H 1.800 . 6.400 6.277 4.233 6.567 0.167 13 0 "[ . 1 . 2]" 1
191 1 34 GLY HA2 1 37 GLY HA3 1.800 . 5.900 5.828 5.379 6.020 0.120 14 0 "[ . 1 . 2]" 1
192 1 34 GLY HA2 1 35 SER H 1.800 . 4.600 2.631 2.149 3.407 . 0 0 "[ . 1 . 2]" 1
193 1 34 GLY HA3 1 35 SER H 1.800 . 4.600 3.161 2.179 3.566 . 0 0 "[ . 1 . 2]" 1
194 1 35 SER H 1 39 ALA H 1.800 . 6.100 5.779 4.774 6.191 0.091 19 0 "[ . 1 . 2]" 1
195 1 35 SER HA 1 36 ASN H 1.800 . 4.600 3.223 2.189 3.566 . 0 0 "[ . 1 . 2]" 1
196 1 35 SER H 1 36 ASN H 1.800 . 6.000 3.142 1.899 4.634 . 0 0 "[ . 1 . 2]" 1
197 1 2 LEU H 1 36 ASN H 1.800 . 5.000 4.938 4.407 5.072 0.072 17 0 "[ . 1 . 2]" 1
198 1 36 ASN HA 1 37 GLY H 1.800 . 4.600 3.169 2.615 3.560 . 0 0 "[ . 1 . 2]" 1
199 1 36 ASN H 1 37 GLY H 1.800 . 5.600 2.434 1.883 3.482 . 0 0 "[ . 1 . 2]" 1
200 1 37 GLY H 1 38 GLY H 1.800 . 5.600 2.631 1.940 3.681 . 0 0 "[ . 1 . 2]" 1
201 1 33 THR MG 1 37 GLY H 1.800 . 4.900 4.311 3.044 4.959 0.059 1 0 "[ . 1 . 2]" 1
202 1 37 GLY HA3 1 80 PRO HA 1.800 . 5.900 5.949 5.861 6.078 0.178 17 0 "[ . 1 . 2]" 1
203 1 37 GLY HA2 1 38 GLY H 1.800 . 4.600 3.397 2.329 3.573 . 0 0 "[ . 1 . 2]" 1
204 1 37 GLY HA3 1 38 GLY H 1.800 . 4.600 2.791 2.442 3.560 . 0 0 "[ . 1 . 2]" 1
205 1 38 GLY H 1 39 ALA MB 1.800 . 5.600 4.604 3.650 5.237 . 0 0 "[ . 1 . 2]" 1
206 1 33 THR HB 1 38 GLY HA2 1.800 . 4.900 4.644 3.635 4.986 0.086 8 0 "[ . 1 . 2]" 1
207 1 36 ASN HA 1 38 GLY H 1.800 . 5.500 4.964 3.628 5.571 0.071 12 0 "[ . 1 . 2]" 1
208 1 33 THR MG 1 38 GLY H 1.800 . 5.500 3.081 1.863 5.547 0.047 17 0 "[ . 1 . 2]" 1
209 1 38 GLY HA3 1 39 ALA H 1.800 . 4.600 2.795 2.139 3.499 . 0 0 "[ . 1 . 2]" 1
210 1 38 GLY HA2 1 39 ALA H 1.800 . 4.600 2.721 2.158 3.470 . 0 0 "[ . 1 . 2]" 1
211 1 39 ALA H 1 39 ALA MB 1.800 . 5.600 2.746 2.034 2.922 . 0 0 "[ . 1 . 2]" 1
212 1 39 ALA H 1 40 ASP H 1.800 . 5.600 3.073 1.870 4.524 . 0 0 "[ . 1 . 2]" 1
213 1 39 ALA HA 1 40 ASP HA 1.800 . 6.200 4.769 4.295 5.365 . 0 0 "[ . 1 . 2]" 1
214 1 33 THR HB 1 39 ALA MB 1.800 . 4.600 4.301 2.961 4.638 0.038 8 0 "[ . 1 . 2]" 1
215 1 39 ALA MB 1 40 ASP H 1.800 . 4.600 2.857 2.067 3.718 . 0 0 "[ . 1 . 2]" 1
216 1 39 ALA HA 1 40 ASP H 1.800 . 3.600 2.900 2.146 3.571 . 0 0 "[ . 1 . 2]" 1
217 1 40 ASP H 1 41 LEU H 1.800 . 5.600 3.830 2.746 4.558 . 0 0 "[ . 1 . 2]" 1
218 1 33 THR HB 1 40 ASP H 1.800 . 5.200 3.548 2.269 5.245 0.045 8 0 "[ . 1 . 2]" 1
219 1 33 THR HA 1 40 ASP H 1.800 . 5.900 5.014 3.706 5.905 0.005 6 0 "[ . 1 . 2]" 1
220 1 40 ASP HA 1 41 LEU H 1.800 . 3.600 2.254 2.141 3.552 . 0 0 "[ . 1 . 2]" 1
221 1 31 THR HA 1 41 LEU H 1.800 . 5.400 3.676 3.023 4.708 . 0 0 "[ . 1 . 2]" 1
222 1 33 THR MG 1 41 LEU H 1.800 . 5.600 4.922 3.844 5.619 0.019 3 0 "[ . 1 . 2]" 1
223 1 41 LEU HA 1 42 MET H 1.800 . 3.600 2.810 2.149 3.569 . 0 0 "[ . 1 . 2]" 1
224 1 41 LEU HB2 1 42 MET H 1.800 . 5.600 3.942 2.383 4.586 . 0 0 "[ . 1 . 2]" 1
225 1 41 LEU HB3 1 42 MET H 1.800 . 5.600 3.169 1.938 4.147 . 0 0 "[ . 1 . 2]" 1
226 1 31 THR HA 1 42 MET H 1.800 . 5.900 4.211 2.377 5.095 . 0 0 "[ . 1 . 2]" 1
227 1 31 THR HB 1 42 MET HA 1.800 . 4.900 3.364 2.212 4.636 . 0 0 "[ . 1 . 2]" 1
228 1 31 THR MG 1 42 MET HA 1.800 . 5.900 1.993 1.880 2.268 . 0 0 "[ . 1 . 2]" 1
229 1 42 MET HB2 1 43 GLY H 1.800 . 5.600 4.449 4.249 4.664 . 0 0 "[ . 1 . 2]" 1
230 1 42 MET HB3 1 43 GLY H 1.800 . 5.600 3.776 3.444 4.403 . 0 0 "[ . 1 . 2]" 1
231 1 42 MET HA 1 43 GLY H 1.800 . 3.600 2.188 2.144 2.568 . 0 0 "[ . 1 . 2]" 1
232 1 31 THR HA 1 43 GLY H 1.800 . 4.800 3.227 2.652 4.087 . 0 0 "[ . 1 . 2]" 1
233 1 32 TYR H 1 43 GLY H 1.800 . 5.900 5.419 3.766 5.892 . 0 0 "[ . 1 . 2]" 1
234 1 31 THR MG 1 43 GLY H 1.800 . 5.100 3.030 2.145 4.089 . 0 0 "[ . 1 . 2]" 1
235 1 43 GLY H 1 46 PHE H 1.800 . 5.900 3.984 2.863 5.987 0.087 20 0 "[ . 1 . 2]" 1
236 1 43 GLY H 1 45 ALA MB 1.800 . 4.900 3.128 2.643 3.839 . 0 0 "[ . 1 . 2]" 1
237 1 43 GLY H 1 47 ALA MB 1.800 . 5.900 5.254 4.901 5.952 0.052 20 0 "[ . 1 . 2]" 1
238 1 44 PRO HA 1 45 ALA H 1.800 . 4.600 3.387 3.374 3.449 . 0 0 "[ . 1 . 2]" 1
239 1 45 ALA H 1 45 ALA MB 1.800 . 5.600 2.161 2.035 2.351 . 0 0 "[ . 1 . 2]" 1
240 1 45 ALA H 1 46 PHE H 1.800 . 4.900 2.761 2.132 4.449 . 0 0 "[ . 1 . 2]" 1
241 1 45 ALA H 1 48 ALA H 1.800 . 6.200 4.485 4.246 5.225 . 0 0 "[ . 1 . 2]" 1
242 1 45 ALA H 1 47 ALA H 1.800 . 6.500 3.531 3.302 4.732 . 0 0 "[ . 1 . 2]" 1
243 1 45 ALA MB 1 48 ALA H 1.800 . 5.400 4.739 4.526 5.185 . 0 0 "[ . 1 . 2]" 1
244 1 41 LEU H 1 45 ALA MB 1.800 . 6.500 6.351 5.830 6.584 0.084 20 0 "[ . 1 . 2]" 1
245 1 31 THR MG 1 45 ALA HA 1.800 . 5.900 4.468 3.915 5.553 . 0 0 "[ . 1 . 2]" 1
246 1 45 ALA HA 1 46 PHE H 1.800 . 4.600 3.510 2.641 3.572 . 0 0 "[ . 1 . 2]" 1
247 1 46 PHE H 1 47 ALA H 1.800 . 4.600 2.569 2.066 3.784 . 0 0 "[ . 1 . 2]" 1
248 1 46 PHE H 1 48 ALA H 1.800 . 4.900 4.208 3.791 4.466 . 0 0 "[ . 1 . 2]" 1
249 1 46 PHE HA 1 48 ALA H 1.800 . 6.200 4.341 4.203 4.523 . 0 0 "[ . 1 . 2]" 1
250 1 47 ALA H 1 47 ALA MB 1.800 . 4.600 2.220 2.032 2.254 . 0 0 "[ . 1 . 2]" 1
251 1 47 ALA H 1 49 GLY H 1.800 . 5.000 3.646 3.570 3.786 . 0 0 "[ . 1 . 2]" 1
252 1 47 ALA H 1 48 ALA H 1.800 . 4.300 2.577 2.516 2.731 . 0 0 "[ . 1 . 2]" 1
253 1 43 GLY H 1 47 ALA H 1.800 . 6.400 5.043 4.284 5.850 . 0 0 "[ . 1 . 2]" 1
254 1 44 PRO HA 1 47 ALA MB 1.800 . 4.900 2.576 1.973 4.715 . 0 0 "[ . 1 . 2]" 1
255 1 47 ALA HA 1 48 ALA H 1.800 . 4.600 3.532 3.528 3.536 . 0 0 "[ . 1 . 2]" 1
256 1 47 ALA MB 1 48 ALA H 1.800 . 4.600 2.590 2.542 2.735 . 0 0 "[ . 1 . 2]" 1
257 1 48 ALA H 1 48 ALA MB 1.800 . 4.600 2.236 2.126 2.314 . 0 0 "[ . 1 . 2]" 1
258 1 48 ALA H 1 49 GLY HA3 1.800 . 6.200 4.979 4.959 4.998 . 0 0 "[ . 1 . 2]" 1
259 1 48 ALA H 1 49 GLY H 1.800 . 4.300 2.277 2.254 2.301 . 0 0 "[ . 1 . 2]" 1
260 1 48 ALA H 1 99 ILE MG 1.800 . 6.200 4.393 3.633 4.950 . 0 0 "[ . 1 . 2]" 1
261 1 48 ALA H 1 100 VAL H 1.800 . 5.200 4.681 4.211 5.245 0.045 20 0 "[ . 1 . 2]" 1
262 1 48 ALA MB 1 49 GLY H 1.800 . 4.600 3.101 3.069 3.157 . 0 0 "[ . 1 . 2]" 1
263 1 49 GLY H 1 50 LEU H 1.800 . 4.900 2.418 2.352 2.486 . 0 0 "[ . 1 . 2]" 1
264 1 49 GLY H 1 99 ILE MG 1.800 . 6.200 5.364 5.002 5.916 . 0 0 "[ . 1 . 2]" 1
265 1 49 GLY HA2 1 50 LEU H 1.800 . 4.600 3.193 3.115 3.261 . 0 0 "[ . 1 . 2]" 1
266 1 50 LEU H 1 51 ARG H 1.800 . 5.600 4.445 4.218 4.553 . 0 0 "[ . 1 . 2]" 1
267 1 45 ALA HA 1 50 LEU H 1.800 . 5.900 3.465 2.896 4.105 . 0 0 "[ . 1 . 2]" 1
268 1 48 ALA MB 1 50 LEU HB2 1.800 . 6.200 3.452 2.896 4.289 . 0 0 "[ . 1 . 2]" 1
269 1 45 ALA MB 1 50 LEU HB2 1.800 . 5.900 3.344 2.043 4.262 . 0 0 "[ . 1 . 2]" 1
270 1 50 LEU HB2 1 51 ARG H 1.800 . 5.600 4.361 4.035 4.573 . 0 0 "[ . 1 . 2]" 1
271 1 50 LEU HB3 1 51 ARG H 1.800 . 5.600 3.622 3.258 3.974 . 0 0 "[ . 1 . 2]" 1
272 1 50 LEU HA 1 51 ARG H 1.800 . 3.600 2.149 2.139 2.217 . 0 0 "[ . 1 . 2]" 1
273 1 51 ARG H 1 54 ASP H 1.800 . 5.900 4.337 4.139 4.700 . 0 0 "[ . 1 . 2]" 1
274 1 51 ARG H 1 52 VAL HA 1.800 . 6.000 5.131 4.989 5.406 . 0 0 "[ . 1 . 2]" 1
275 1 51 ARG H 1 54 ASP HB2 1.800 . 6.000 2.797 2.302 4.009 . 0 0 "[ . 1 . 2]" 1
276 1 51 ARG H 1 53 GLY H 1.800 . 5.900 5.767 5.298 5.933 0.033 20 0 "[ . 1 . 2]" 1
277 1 51 ARG HB3 1 52 VAL HB 1.800 . 5.900 5.447 5.273 5.706 . 0 0 "[ . 1 . 2]" 1
278 1 51 ARG HA 1 52 VAL H 1.800 . 3.600 2.493 2.335 2.576 . 0 0 "[ . 1 . 2]" 1
279 1 52 VAL H 1 53 GLY H 1.800 . 5.600 4.545 4.429 4.587 . 0 0 "[ . 1 . 2]" 1
280 1 28 VAL MG2 1 52 VAL H 1.800 . 4.600 4.219 2.896 4.632 0.032 19 0 "[ . 1 . 2]" 1
281 1 28 VAL MG1 1 52 VAL H 1.800 . 4.600 3.393 2.727 4.644 0.044 18 0 "[ . 1 . 2]" 1
282 1 25 ILE HB 1 52 VAL HA 1.800 . 5.000 4.468 4.182 5.018 0.018 7 0 "[ . 1 . 2]" 1
283 1 26 GLN HB2 1 52 VAL HA 1.800 . 5.600 5.583 5.310 5.658 0.058 19 0 "[ . 1 . 2]" 1
284 1 52 VAL HA 1 53 GLY H 1.800 . 3.600 2.163 2.144 2.175 . 0 0 "[ . 1 . 2]" 1
285 1 52 VAL HB 1 53 GLY H 1.800 . 5.600 3.260 3.127 3.593 . 0 0 "[ . 1 . 2]" 1
286 1 53 GLY H 1 54 ASP H 1.800 . 4.600 2.233 1.942 2.405 . 0 0 "[ . 1 . 2]" 1
287 1 53 GLY H 1 54 ASP HB2 1.800 . 6.500 4.536 4.133 5.700 . 0 0 "[ . 1 . 2]" 1
288 1 25 ILE HB 1 53 GLY H 1.800 . 4.500 4.184 3.893 4.502 0.002 10 0 "[ . 1 . 2]" 1
289 1 27 GLU H 1 53 GLY H 1.800 . 5.500 4.224 3.862 4.754 . 0 0 "[ . 1 . 2]" 1
290 1 53 GLY HA3 1 54 ASP H 1.800 . 4.600 3.370 3.313 3.401 . 0 0 "[ . 1 . 2]" 1
291 1 53 GLY HA2 1 54 ASP H 1.800 . 4.600 3.167 3.126 3.238 . 0 0 "[ . 1 . 2]" 1
292 1 54 ASP HB3 1 55 GLN HG3 1.800 . 6.200 5.793 5.336 6.224 0.024 17 0 "[ . 1 . 2]" 1
293 1 25 ILE HB 1 54 ASP H 1.800 . 4.900 3.574 3.197 4.085 . 0 0 "[ . 1 . 2]" 1
294 1 52 VAL H 1 54 ASP H 1.800 . 6.200 5.023 4.828 5.212 . 0 0 "[ . 1 . 2]" 1
295 1 52 VAL HA 1 54 ASP H 1.800 . 5.200 3.402 3.320 3.565 . 0 0 "[ . 1 . 2]" 1
296 1 54 ASP HB2 1 55 GLN H 1.800 . 5.600 4.115 3.238 4.371 . 0 0 "[ . 1 . 2]" 1
297 1 54 ASP HB3 1 55 GLN H 1.800 . 5.600 3.210 2.802 4.311 . 0 0 "[ . 1 . 2]" 1
298 1 54 ASP HA 1 55 GLN H 1.800 . 4.600 2.201 2.141 2.314 . 0 0 "[ . 1 . 2]" 1
299 1 54 ASP H 1 55 GLN H 1.800 . 6.200 4.501 4.395 4.553 . 0 0 "[ . 1 . 2]" 1
300 1 55 GLN H 1 89 SER H 1.800 . 4.600 3.256 2.714 3.454 . 0 0 "[ . 1 . 2]" 1
301 1 55 GLN H 1 88 PHE HA 1.800 . 4.900 4.716 4.264 4.943 0.043 20 0 "[ . 1 . 2]" 1
302 1 55 GLN H 1 89 SER HB3 1.800 . 5.200 5.206 5.126 5.258 0.058 18 0 "[ . 1 . 2]" 1
303 1 55 GLN H 1 89 SER HB2 1.800 . 5.200 4.866 4.548 5.242 0.042 5 0 "[ . 1 . 2]" 1
304 1 55 GLN H 1 88 PHE HB2 1.800 . 4.600 4.389 3.430 4.718 0.118 18 0 "[ . 1 . 2]" 1
305 1 22 THR MG 1 55 GLN HE22 1.800 . 3.900 2.381 1.841 3.907 0.007 19 0 "[ . 1 . 2]" 1
306 1 16 ASP HB2 1 55 GLN HE22 1.800 . 4.900 3.948 2.107 4.904 0.004 8 0 "[ . 1 . 2]" 1
307 1 22 THR HB 1 55 GLN HE22 1.800 . 4.900 4.518 3.832 4.918 0.018 8 0 "[ . 1 . 2]" 1
308 1 24 SER HA 1 55 GLN HE22 1.800 . 5.400 5.074 4.006 5.413 0.013 4 0 "[ . 1 . 2]" 1
309 1 55 GLN HA 1 56 LEU H 1.800 . 3.600 2.161 2.140 2.254 . 0 0 "[ . 1 . 2]" 1
310 1 55 GLN HG2 1 56 LEU H 1.800 . 5.600 4.485 4.196 4.817 . 0 0 "[ . 1 . 2]" 1
311 1 25 ILE H 1 56 LEU H 1.800 . 5.200 3.523 2.955 4.465 . 0 0 "[ . 1 . 2]" 1
312 1 29 THR MG 1 56 LEU HB2 1.800 . 5.900 5.546 5.002 5.923 0.023 19 0 "[ . 1 . 2]" 1
313 1 56 LEU HA 1 88 PHE HA 1.800 . 4.200 3.485 2.794 4.107 . 0 0 "[ . 1 . 2]" 1
314 1 56 LEU HA 1 57 VAL H 1.800 . 4.600 2.173 2.139 2.205 . 0 0 "[ . 1 . 2]" 1
315 1 57 VAL H 1 89 SER H 1.800 . 5.100 4.712 4.317 5.125 0.025 5 0 "[ . 1 . 2]" 1
316 1 57 VAL H 1 88 PHE HA 1.800 . 5.200 3.373 2.825 3.668 . 0 0 "[ . 1 . 2]" 1
317 1 56 LEU HB3 1 57 VAL HA 1.800 . 6.200 4.713 4.500 5.133 . 0 0 "[ . 1 . 2]" 1
318 1 57 VAL HA 1 58 ARG H 1.800 . 3.600 3.203 2.411 3.544 . 0 0 "[ . 1 . 2]" 1
319 1 57 VAL H 1 58 ARG H 1.800 . 5.600 2.885 2.069 4.539 . 0 0 "[ . 1 . 2]" 1
320 1 58 ARG H 1 86 VAL HA 1.800 . 6.200 4.728 3.930 6.151 . 0 0 "[ . 1 . 2]" 1
321 1 58 ARG HA 1 59 PHE H 1.800 . 3.600 3.394 3.103 3.572 . 0 0 "[ . 1 . 2]" 1
322 1 59 PHE H 1 62 TYR H 1.800 . 5.100 4.772 4.361 5.130 0.030 10 0 "[ . 1 . 2]" 1
323 1 58 ARG H 1 59 PHE H 1.800 . 5.200 2.734 1.811 3.746 . 0 0 "[ . 1 . 2]" 1
324 1 59 PHE H 1 60 ALA H 1.800 . 6.200 4.413 4.026 4.556 . 0 0 "[ . 1 . 2]" 1
325 1 59 PHE H 1 63 THR HA 1.800 . 6.200 6.255 6.081 6.403 0.203 13 0 "[ . 1 . 2]" 1
326 1 59 PHE HB2 1 60 ALA H 1.800 . 5.600 4.115 3.874 4.583 . 0 0 "[ . 1 . 2]" 1
327 1 59 PHE HB3 1 60 ALA H 1.800 . 5.600 3.596 2.788 4.274 . 0 0 "[ . 1 . 2]" 1
328 1 59 PHE HA 1 60 ALA H 1.800 . 3.600 2.225 2.141 2.288 . 0 0 "[ . 1 . 2]" 1
329 1 60 ALA H 1 60 ALA MB 1.800 . 4.600 2.259 2.049 2.923 . 0 0 "[ . 1 . 2]" 1
330 1 60 ALA H 1 61 GLY H 1.800 . 5.000 3.434 2.504 4.647 . 0 0 "[ . 1 . 2]" 1
331 1 60 ALA H 1 62 TYR H 1.800 . 6.500 4.923 4.357 5.447 . 0 0 "[ . 1 . 2]" 1
332 1 59 PHE HB2 1 60 ALA MB 1.800 . 5.400 5.231 4.237 5.577 0.177 11 0 "[ . 1 . 2]" 1
333 1 60 ALA MB 1 87 VAL HB 1.800 . 6.000 4.700 3.438 5.532 . 0 0 "[ . 1 . 2]" 1
334 1 60 ALA HA 1 61 GLY H 1.800 . 3.600 3.010 2.147 3.554 . 0 0 "[ . 1 . 2]" 1
335 1 60 ALA MB 1 61 GLY H 1.800 . 5.600 3.061 1.974 3.721 . 0 0 "[ . 1 . 2]" 1
336 1 61 GLY H 1 62 TYR H 1.800 . 4.600 2.199 1.734 2.679 0.066 13 0 "[ . 1 . 2]" 1
337 1 61 GLY H 1 62 TYR HA 1.800 . 6.200 4.472 3.989 4.946 . 0 0 "[ . 1 . 2]" 1
338 1 61 GLY HA2 1 62 TYR H 1.800 . 5.600 3.197 2.902 3.369 . 0 0 "[ . 1 . 2]" 1
339 1 60 ALA HA 1 62 TYR H 1.800 . 6.400 3.762 3.099 5.359 . 0 0 "[ . 1 . 2]" 1
340 1 60 ALA MB 1 62 TYR H 1.800 . 5.400 4.202 3.160 4.761 . 0 0 "[ . 1 . 2]" 1
341 1 62 TYR H 1 94 VAL MG2 1.800 . 6.400 6.239 5.532 6.497 0.097 10 0 "[ . 1 . 2]" 1
342 1 22 THR MG 1 62 TYR HA 1.800 . 6.400 4.128 1.901 5.207 . 0 0 "[ . 1 . 2]" 1
343 1 62 TYR HA 1 63 THR H 1.800 . 3.600 2.545 2.290 2.881 . 0 0 "[ . 1 . 2]" 1
344 1 63 THR H 1 63 THR MG 1.800 . 4.600 2.547 2.214 2.723 . 0 0 "[ . 1 . 2]" 1
345 1 62 TYR H 1 63 THR H 1.800 . 6.400 2.808 1.927 3.272 . 0 0 "[ . 1 . 2]" 1
346 1 22 THR MG 1 63 THR HB 1.800 . 5.400 5.378 4.831 5.472 0.072 7 0 "[ . 1 . 2]" 1
347 1 59 PHE H 1 63 THR MG 1.800 . 5.100 4.432 2.335 5.169 0.069 15 0 "[ . 1 . 2]" 1
348 1 21 THR HB 1 63 THR HA 1.800 . 5.100 4.046 2.197 4.724 . 0 0 "[ . 1 . 2]" 1
349 1 21 THR HB 1 63 THR MG 1.800 . 5.600 5.087 4.416 5.670 0.070 9 0 "[ . 1 . 2]" 1
350 1 21 THR HB 1 63 THR HB 1.800 . 4.900 3.857 2.999 4.789 . 0 0 "[ . 1 . 2]" 1
351 1 63 THR HA 1 63 THR MG 1.800 . 5.600 3.187 3.178 3.202 . 0 0 "[ . 1 . 2]" 1
352 1 63 THR HA 1 64 VAL H 1.800 . 3.600 2.223 2.143 2.386 . 0 0 "[ . 1 . 2]" 1
353 1 63 THR HB 1 64 VAL H 1.800 . 5.600 3.998 3.693 4.396 . 0 0 "[ . 1 . 2]" 1
354 1 63 THR H 1 64 VAL H 1.800 . 6.200 4.087 3.476 4.333 . 0 0 "[ . 1 . 2]" 1
355 1 21 THR HB 1 64 VAL H 1.800 . 4.900 4.759 3.661 4.940 0.040 6 0 "[ . 1 . 2]" 1
356 1 57 VAL HA 1 64 VAL HA 1.800 . 5.900 4.324 3.446 5.125 . 0 0 "[ . 1 . 2]" 1
357 1 64 VAL HA 1 69 ALA MB 1.800 . 6.200 5.095 4.622 5.677 . 0 0 "[ . 1 . 2]" 1
358 1 64 VAL HA 1 65 THR H 1.800 . 4.600 2.337 2.317 2.434 . 0 0 "[ . 1 . 2]" 1
359 1 64 VAL HB 1 65 THR H 1.800 . 5.600 3.914 3.453 3.952 . 0 0 "[ . 1 . 2]" 1
360 1 65 THR H 1 65 THR MG 1.800 . 5.600 3.286 1.866 3.778 . 0 0 "[ . 1 . 2]" 1
361 1 64 VAL H 1 65 THR H 1.800 . 6.200 4.426 4.380 4.531 . 0 0 "[ . 1 . 2]" 1
362 1 65 THR H 1 66 GLU H 1.800 . 5.200 2.932 2.457 3.166 . 0 0 "[ . 1 . 2]" 1
363 1 65 THR HA 1 65 THR MG 1.800 . 5.900 2.279 2.082 3.097 . 0 0 "[ . 1 . 2]" 1
364 1 65 THR H 1 69 ALA MB 1.800 . 4.900 3.557 3.186 3.861 . 0 0 "[ . 1 . 2]" 1
365 1 65 THR MG 1 66 GLU HB3 1.800 . 4.900 4.071 2.806 4.841 . 0 0 "[ . 1 . 2]" 1
366 1 65 THR HB 1 66 GLU H 1.800 . 5.600 2.215 1.906 3.753 . 0 0 "[ . 1 . 2]" 1
367 1 66 GLU H 1 67 LEU HA 1.800 . 6.200 4.979 4.926 5.042 . 0 0 "[ . 1 . 2]" 1
368 1 66 GLU H 1 70 PHE H 1.800 . 4.900 4.436 3.889 4.882 . 0 0 "[ . 1 . 2]" 1
369 1 66 GLU H 1 69 ALA MB 1.800 . 4.900 2.447 2.137 2.822 . 0 0 "[ . 1 . 2]" 1
370 1 66 GLU HB2 1 67 LEU HB3 1.800 . 5.800 4.701 4.554 4.871 . 0 0 "[ . 1 . 2]" 1
371 1 23 LEU HG 1 66 GLU HA 1.800 . 5.800 5.572 4.943 5.821 0.021 16 0 "[ . 1 . 2]" 1
372 1 23 LEU HB2 1 66 GLU HA 1.800 . 5.800 5.241 4.522 5.850 0.050 9 0 "[ . 1 . 2]" 1
373 1 66 GLU HB3 1 67 LEU H 1.800 . 5.600 3.573 3.508 3.699 . 0 0 "[ . 1 . 2]" 1
374 1 66 GLU HA 1 67 LEU H 1.800 . 3.600 2.625 2.484 2.719 . 0 0 "[ . 1 . 2]" 1
375 1 67 LEU H 1 68 ALA MB 1.800 . 5.600 4.211 4.149 4.267 . 0 0 "[ . 1 . 2]" 1
376 1 67 LEU H 1 70 PHE H 1.800 . 5.000 5.092 5.028 5.149 0.149 10 0 "[ . 1 . 2]" 1
377 1 66 GLU H 1 67 LEU H 1.800 . 5.000 4.359 4.329 4.385 . 0 0 "[ . 1 . 2]" 1
378 1 11 VAL HB 1 67 LEU HB3 1.800 . 5.900 4.316 2.846 5.920 0.020 11 0 "[ . 1 . 2]" 1
379 1 67 LEU HA 1 70 PHE HB2 1.800 . 4.900 3.726 3.250 4.192 . 0 0 "[ . 1 . 2]" 1
380 1 67 LEU HA 1 70 PHE HB3 1.800 . 4.900 2.893 2.647 3.059 . 0 0 "[ . 1 . 2]" 1
381 1 67 LEU HA 1 70 PHE HA 1.800 . 5.600 5.443 5.282 5.611 0.011 12 0 "[ . 1 . 2]" 1
382 1 67 LEU HB3 1 68 ALA MB 1.800 . 5.600 5.517 5.449 5.584 . 0 0 "[ . 1 . 2]" 1
383 1 67 LEU HA 1 68 ALA MB 1.800 . 5.600 4.980 4.947 5.010 . 0 0 "[ . 1 . 2]" 1
384 1 67 LEU HA 1 68 ALA H 1.800 . 5.600 3.493 3.461 3.522 . 0 0 "[ . 1 . 2]" 1
385 1 67 LEU HB2 1 68 ALA H 1.800 . 5.600 3.753 3.602 3.896 . 0 0 "[ . 1 . 2]" 1
386 1 67 LEU HB3 1 68 ALA H 1.800 . 5.600 4.101 4.003 4.169 . 0 0 "[ . 1 . 2]" 1
387 1 68 ALA H 1 69 ALA HA 1.800 . 5.600 5.323 5.249 5.359 . 0 0 "[ . 1 . 2]" 1
388 1 68 ALA H 1 68 ALA MB 1.800 . 5.600 2.137 2.023 2.233 . 0 0 "[ . 1 . 2]" 1
389 1 68 ALA H 1 70 PHE HB3 1.800 . 5.500 5.408 5.257 5.510 0.010 18 0 "[ . 1 . 2]" 1
390 1 68 ALA H 1 70 PHE H 1.800 . 4.500 4.272 4.162 4.406 . 0 0 "[ . 1 . 2]" 1
391 1 68 ALA H 1 71 ASN HB2 1.800 . 6.500 5.264 4.945 5.629 . 0 0 "[ . 1 . 2]" 1
392 1 68 ALA H 1 69 ALA H 1.800 . 5.100 2.725 2.635 2.769 . 0 0 "[ . 1 . 2]" 1
393 1 66 GLU HA 1 68 ALA H 1.800 . 4.900 4.415 4.211 4.565 . 0 0 "[ . 1 . 2]" 1
394 1 66 GLU HB3 1 68 ALA H 1.800 . 5.300 4.314 4.204 4.446 . 0 0 "[ . 1 . 2]" 1
395 1 68 ALA MB 1 71 ASN HB3 1.800 . 5.300 4.290 3.966 4.685 . 0 0 "[ . 1 . 2]" 1
396 1 66 GLU HB3 1 68 ALA MB 1.800 . 5.300 4.537 4.347 4.697 . 0 0 "[ . 1 . 2]" 1
397 1 68 ALA MB 1 69 ALA H 1.800 . 4.600 2.637 2.483 2.797 . 0 0 "[ . 1 . 2]" 1
398 1 68 ALA HA 1 69 ALA H 1.800 . 3.600 3.527 3.513 3.546 . 0 0 "[ . 1 . 2]" 1
399 1 69 ALA H 1 69 ALA MB 1.800 . 5.600 2.128 2.029 2.237 . 0 0 "[ . 1 . 2]" 1
400 1 69 ALA H 1 70 PHE HA 1.800 . 5.600 5.254 5.187 5.349 . 0 0 "[ . 1 . 2]" 1
401 1 69 ALA H 1 70 PHE H 1.800 . 4.900 2.640 2.566 2.761 . 0 0 "[ . 1 . 2]" 1
402 1 66 GLU HA 1 69 ALA H 1.800 . 5.200 4.858 4.765 4.970 . 0 0 "[ . 1 . 2]" 1
403 1 69 ALA H 1 71 ASN HB2 1.800 . 6.200 5.631 5.347 6.026 . 0 0 "[ . 1 . 2]" 1
404 1 66 GLU HB3 1 69 ALA H 1.800 . 5.000 4.919 4.636 5.028 0.028 4 0 "[ . 1 . 2]" 1
405 1 67 LEU HB3 1 69 ALA H 1.800 . 6.200 5.866 5.761 6.022 . 0 0 "[ . 1 . 2]" 1
406 1 69 ALA H 1 70 PHE HB3 1.800 . 4.900 4.816 4.690 4.907 0.007 8 0 "[ . 1 . 2]" 1
407 1 69 ALA HA 1 72 THR MG 1.800 . 4.900 3.690 2.017 4.532 . 0 0 "[ . 1 . 2]" 1
408 1 69 ALA MB 1 70 PHE H 1.800 . 4.600 2.600 2.420 2.804 . 0 0 "[ . 1 . 2]" 1
409 1 69 ALA HA 1 70 PHE H 1.800 . 4.600 3.540 3.511 3.560 . 0 0 "[ . 1 . 2]" 1
410 1 70 PHE H 1 71 ASN H 1.800 . 5.000 2.577 2.533 2.640 . 0 0 "[ . 1 . 2]" 1
411 1 70 PHE H 1 71 ASN HB2 1.800 . 5.000 4.773 4.487 5.009 0.009 9 0 "[ . 1 . 2]" 1
412 1 70 PHE HA 1 73 VAL MG2 1.800 . 5.100 2.435 1.889 3.286 . 0 0 "[ . 1 . 2]" 1
413 1 70 PHE HA 1 71 ASN H 1.800 . 4.600 3.513 3.468 3.550 . 0 0 "[ . 1 . 2]" 1
414 1 70 PHE HB2 1 71 ASN H 1.800 . 4.600 3.981 3.779 4.168 . 0 0 "[ . 1 . 2]" 1
415 1 70 PHE HB3 1 71 ASN H 1.800 . 4.600 2.744 2.481 2.990 . 0 0 "[ . 1 . 2]" 1
416 1 69 ALA H 1 71 ASN H 1.800 . 4.900 4.020 3.860 4.215 . 0 0 "[ . 1 . 2]" 1
417 1 71 ASN H 1 72 THR H 1.800 . 4.900 2.556 2.491 2.694 . 0 0 "[ . 1 . 2]" 1
418 1 71 ASN H 1 73 VAL MG2 1.800 . 5.600 4.459 3.888 5.297 . 0 0 "[ . 1 . 2]" 1
419 1 71 ASN HA 1 74 VAL HB 1.800 . 4.900 3.186 2.654 4.355 . 0 0 "[ . 1 . 2]" 1
420 1 70 PHE HB3 1 71 ASN HB3 1.800 . 6.100 5.245 4.959 5.605 . 0 0 "[ . 1 . 2]" 1
421 1 68 ALA HA 1 71 ASN HD22 1.800 . 5.900 5.605 5.141 5.916 0.016 19 0 "[ . 1 . 2]" 1
422 1 4 ARG H 1 71 ASN HD22 1.800 . 5.900 5.800 4.672 5.944 0.044 5 0 "[ . 1 . 2]" 1
423 1 68 ALA HA 1 71 ASN HB3 1.800 . 5.300 2.953 2.521 3.721 . 0 0 "[ . 1 . 2]" 1
424 1 71 ASN HB3 1 72 THR H 1.800 . 5.600 2.751 2.493 2.839 . 0 0 "[ . 1 . 2]" 1
425 1 71 ASN HB2 1 72 THR H 1.800 . 5.600 3.806 3.479 3.965 . 0 0 "[ . 1 . 2]" 1
426 1 71 ASN HA 1 72 THR H 1.800 . 4.600 3.513 3.494 3.547 . 0 0 "[ . 1 . 2]" 1
427 1 72 THR H 1 72 THR MG 1.800 . 5.600 3.107 1.911 3.776 . 0 0 "[ . 1 . 2]" 1
428 1 70 PHE H 1 72 THR H 1.800 . 4.900 4.069 3.949 4.316 . 0 0 "[ . 1 . 2]" 1
429 1 72 THR H 1 73 VAL H 1.800 . 4.900 2.606 2.549 2.709 . 0 0 "[ . 1 . 2]" 1
430 1 70 PHE HB2 1 72 THR H 1.800 . 6.200 5.824 5.665 6.067 . 0 0 "[ . 1 . 2]" 1
431 1 69 ALA MB 1 72 THR H 1.800 . 5.200 4.629 4.564 4.746 . 0 0 "[ . 1 . 2]" 1
432 1 68 ALA MB 1 72 THR H 1.800 . 5.900 4.668 4.387 5.023 . 0 0 "[ . 1 . 2]" 1
433 1 72 THR HB 1 75 ALA MB 1.800 . 5.900 5.001 4.413 5.407 . 0 0 "[ . 1 . 2]" 1
434 1 72 THR HA 1 73 VAL H 1.800 . 4.600 3.549 3.514 3.556 . 0 0 "[ . 1 . 2]" 1
435 1 72 THR MG 1 73 VAL H 1.800 . 4.600 3.613 2.118 4.131 . 0 0 "[ . 1 . 2]" 1
436 1 73 VAL H 1 73 VAL MG2 1.800 . 4.600 2.074 1.864 2.415 . 0 0 "[ . 1 . 2]" 1
437 1 73 VAL H 1 74 VAL H 1.800 . 4.900 2.683 2.625 2.805 . 0 0 "[ . 1 . 2]" 1
438 1 73 VAL H 1 77 HIS H 1.800 . 6.500 6.003 5.548 6.375 . 0 0 "[ . 1 . 2]" 1
439 1 71 ASN HB3 1 73 VAL H 1.800 . 5.200 5.194 4.854 5.262 0.062 11 0 "[ . 1 . 2]" 1
440 1 70 PHE HA 1 73 VAL HB 1.800 . 4.900 3.859 2.629 4.786 . 0 0 "[ . 1 . 2]" 1
441 1 73 VAL HA 1 76 ARG HB2 1.800 . 4.900 2.679 2.413 2.967 . 0 0 "[ . 1 . 2]" 1
442 1 73 VAL HA 1 73 VAL MG1 1.800 . 5.500 2.328 2.195 2.415 . 0 0 "[ . 1 . 2]" 1
443 1 73 VAL HB 1 74 VAL H 1.800 . 4.600 3.108 2.429 3.651 . 0 0 "[ . 1 . 2]" 1
444 1 73 VAL MG1 1 74 VAL H 1.800 . 4.600 3.649 3.159 3.951 . 0 0 "[ . 1 . 2]" 1
445 1 73 VAL MG2 1 74 VAL H 1.800 . 4.600 2.824 1.958 3.900 . 0 0 "[ . 1 . 2]" 1
446 1 74 VAL H 1 75 ALA MB 1.800 . 5.600 4.303 4.269 4.404 . 0 0 "[ . 1 . 2]" 1
447 1 74 VAL H 1 75 ALA H 1.800 . 4.600 2.639 2.568 2.733 . 0 0 "[ . 1 . 2]" 1
448 1 70 PHE H 1 74 VAL H 1.800 . 5.900 5.986 5.927 6.023 0.123 10 0 "[ . 1 . 2]" 1
449 1 71 ASN HA 1 74 VAL H 1.800 . 5.000 3.711 3.588 3.873 . 0 0 "[ . 1 . 2]" 1
450 1 70 PHE HA 1 74 VAL H 1.800 . 4.900 3.943 3.807 4.050 . 0 0 "[ . 1 . 2]" 1
451 1 73 VAL MG2 1 74 VAL HB 1.800 . 6.000 4.513 2.919 5.956 . 0 0 "[ . 1 . 2]" 1
452 1 71 ASN H 1 74 VAL HB 1.800 . 6.000 5.352 5.003 6.011 0.011 10 0 "[ . 1 . 2]" 1
453 1 74 VAL HA 1 75 ALA H 1.800 . 4.900 3.543 3.521 3.561 . 0 0 "[ . 1 . 2]" 1
454 1 74 VAL HB 1 75 ALA H 1.800 . 4.900 2.874 2.415 3.957 . 0 0 "[ . 1 . 2]" 1
455 1 75 ALA H 1 77 HIS H 1.800 . 6.200 4.193 3.743 4.496 . 0 0 "[ . 1 . 2]" 1
456 1 75 ALA MB 1 76 ARG H 1.800 . 5.600 2.550 2.480 2.678 . 0 0 "[ . 1 . 2]" 1
457 1 75 ALA HA 1 76 ARG H 1.800 . 5.600 3.542 3.513 3.548 . 0 0 "[ . 1 . 2]" 1
458 1 76 ARG H 1 77 HIS HA 1.800 . 6.200 5.326 5.086 5.482 . 0 0 "[ . 1 . 2]" 1
459 1 74 VAL HB 1 76 ARG H 1.800 . 5.900 5.223 4.894 5.928 0.028 20 0 "[ . 1 . 2]" 1
460 1 73 VAL HB 1 76 ARG H 1.800 . 5.900 5.618 5.405 5.702 . 0 0 "[ . 1 . 2]" 1
461 1 73 VAL HA 1 76 ARG H 1.800 . 5.000 3.697 3.482 3.863 . 0 0 "[ . 1 . 2]" 1
462 1 73 VAL H 1 76 ARG H 1.800 . 5.000 4.602 4.490 4.658 . 0 0 "[ . 1 . 2]" 1
463 1 76 ARG H 1 77 HIS H 1.800 . 4.900 2.740 2.475 2.957 . 0 0 "[ . 1 . 2]" 1
464 1 72 THR H 1 76 ARG H 1.800 . 5.600 5.658 5.603 5.708 0.108 18 0 "[ . 1 . 2]" 1
465 1 73 VAL MG2 1 76 ARG H 1.800 . 6.200 5.124 4.986 5.367 . 0 0 "[ . 1 . 2]" 1
466 1 72 THR MG 1 76 ARG HB2 1.800 . 6.200 4.594 3.423 5.781 . 0 0 "[ . 1 . 2]" 1
467 1 76 ARG HB2 1 77 HIS H 1.800 . 4.600 2.784 2.427 3.149 . 0 0 "[ . 1 . 2]" 1
468 1 76 ARG HA 1 77 HIS H 1.800 . 4.600 3.530 3.417 3.567 . 0 0 "[ . 1 . 2]" 1
469 1 73 VAL MG2 1 77 HIS H 1.800 . 5.600 5.471 4.966 5.677 0.077 13 0 "[ . 1 . 2]" 1
470 1 76 ARG HB2 1 77 HIS HA 1.800 . 5.600 4.798 4.512 5.118 . 0 0 "[ . 1 . 2]" 1
471 1 77 HIS HA 1 78 VAL H 1.800 . 5.600 2.716 2.147 3.550 . 0 0 "[ . 1 . 2]" 1
472 1 78 VAL H 1 78 VAL MG1 1.800 . 5.600 3.110 2.113 4.007 . 0 0 "[ . 1 . 2]" 1
473 1 78 VAL H 1 78 VAL MG2 1.800 . 5.600 2.944 1.897 3.919 . 0 0 "[ . 1 . 2]" 1
474 1 78 VAL H 1 79 ARG HA 1.800 . 6.200 4.830 4.128 5.441 . 0 0 "[ . 1 . 2]" 1
475 1 78 VAL H 1 79 ARG H 1.800 . 4.900 2.952 2.524 3.346 . 0 0 "[ . 1 . 2]" 1
476 1 78 VAL H 1 82 ALA MB 1.800 . 5.700 5.286 4.561 5.708 0.008 18 0 "[ . 1 . 2]" 1
477 1 78 VAL HA 1 78 VAL MG1 1.800 . 5.000 2.638 2.114 3.200 . 0 0 "[ . 1 . 2]" 1
478 1 78 VAL HA 1 102 GLY HA2 1.800 . 6.200 6.142 5.812 6.294 0.094 14 0 "[ . 1 . 2]" 1
479 1 78 VAL HA 1 78 VAL MG2 1.800 . 6.200 2.500 2.122 3.199 . 0 0 "[ . 1 . 2]" 1
480 1 34 GLY H 1 78 VAL MG1 1.800 . 5.900 4.633 2.773 5.931 0.031 19 0 "[ . 1 . 2]" 1
481 1 78 VAL HA 1 79 ARG H 1.800 . 4.900 2.743 2.328 2.996 . 0 0 "[ . 1 . 2]" 1
482 1 78 VAL HB 1 79 ARG H 1.800 . 4.900 4.453 4.228 4.640 . 0 0 "[ . 1 . 2]" 1
483 1 78 VAL MG1 1 79 ARG H 1.800 . 5.600 3.805 3.341 4.381 . 0 0 "[ . 1 . 2]" 1
484 1 78 VAL MG2 1 79 ARG H 1.800 . 5.600 4.134 3.517 4.368 . 0 0 "[ . 1 . 2]" 1
485 1 77 HIS HB2 1 79 ARG H 1.800 . 4.400 4.367 3.796 4.571 0.171 17 0 "[ . 1 . 2]" 1
486 1 79 ARG H 1 82 ALA H 1.800 . 5.400 4.872 4.013 5.434 0.034 7 0 "[ . 1 . 2]" 1
487 1 1 PRO HB3 1 79 ARG H 1.800 . 6.400 6.036 4.876 6.452 0.052 2 0 "[ . 1 . 2]" 1
488 1 79 ARG H 1 101 VAL HB 1.800 . 6.400 4.979 3.538 6.053 . 0 0 "[ . 1 . 2]" 1
489 1 80 PRO HB3 1 81 SER H 1.800 . 5.600 4.349 4.063 4.488 . 0 0 "[ . 1 . 2]" 1
490 1 80 PRO HB2 1 81 SER H 1.800 . 5.600 3.861 3.624 4.185 . 0 0 "[ . 1 . 2]" 1
491 1 80 PRO HA 1 81 SER H 1.800 . 4.000 2.810 2.150 3.444 . 0 0 "[ . 1 . 2]" 1
492 1 81 SER H 1 82 ALA H 1.800 . 5.000 2.815 2.212 3.298 . 0 0 "[ . 1 . 2]" 1
493 1 81 SER H 1 101 VAL H 1.800 . 5.900 5.781 5.117 6.000 0.100 12 0 "[ . 1 . 2]" 1
494 1 81 SER H 1 101 VAL HB 1.800 . 6.100 5.853 5.587 6.197 0.097 10 0 "[ . 1 . 2]" 1
495 1 81 SER H 1 102 GLY H 1.800 . 5.900 5.426 4.687 6.036 0.136 1 0 "[ . 1 . 2]" 1
496 1 81 SER H 1 102 GLY HA2 1.800 . 4.400 2.794 1.937 3.784 . 0 0 "[ . 1 . 2]" 1
497 1 82 ALA H 1 83 SER HA 1.800 . 6.500 5.052 4.796 5.466 . 0 0 "[ . 1 . 2]" 1
498 1 82 ALA H 1 82 ALA MB 1.800 . 5.000 2.293 2.032 2.497 . 0 0 "[ . 1 . 2]" 1
499 1 82 ALA H 1 83 SER H 1.800 . 5.000 4.420 4.206 4.570 . 0 0 "[ . 1 . 2]" 1
500 1 82 ALA H 1 101 VAL HB 1.800 . 5.000 4.138 3.563 5.038 0.038 17 0 "[ . 1 . 2]" 1
501 1 82 ALA H 1 101 VAL H 1.800 . 4.400 3.555 2.658 3.993 . 0 0 "[ . 1 . 2]" 1
502 1 82 ALA MB 1 101 VAL HB 1.800 . 5.400 3.817 3.265 4.632 . 0 0 "[ . 1 . 2]" 1
503 1 81 SER HA 1 82 ALA MB 1.800 . 6.100 4.333 4.122 4.467 . 0 0 "[ . 1 . 2]" 1
504 1 82 ALA MB 1 83 SER H 1.800 . 4.600 3.097 2.777 3.426 . 0 0 "[ . 1 . 2]" 1
505 1 82 ALA HA 1 83 SER H 1.800 . 4.600 2.168 2.141 2.239 . 0 0 "[ . 1 . 2]" 1
506 1 83 SER H 1 84 ILE H 1.800 . 6.000 4.217 3.964 4.464 . 0 0 "[ . 1 . 2]" 1
507 1 83 SER HB3 1 98 THR MG 1.800 . 6.000 2.618 1.975 4.225 . 0 0 "[ . 1 . 2]" 1
508 1 83 SER HA 1 100 VAL HA 1.800 . 4.200 2.988 2.437 3.664 . 0 0 "[ . 1 . 2]" 1
509 1 83 SER HB3 1 84 ILE H 1.800 . 6.000 3.898 3.439 4.274 . 0 0 "[ . 1 . 2]" 1
510 1 83 SER HB3 1 99 ILE H 1.800 . 6.000 5.464 4.411 6.007 0.007 14 0 "[ . 1 . 2]" 1
511 1 83 SER HA 1 99 ILE H 1.800 . 6.000 4.626 4.012 5.154 . 0 0 "[ . 1 . 2]" 1
512 1 83 SER HB2 1 84 ILE H 1.800 . 5.600 4.244 3.688 4.640 . 0 0 "[ . 1 . 2]" 1
513 1 83 SER HA 1 84 ILE H 1.800 . 5.600 2.183 2.138 2.289 . 0 0 "[ . 1 . 2]" 1
514 1 84 ILE H 1 99 ILE H 1.800 . 4.600 3.665 3.335 4.030 . 0 0 "[ . 1 . 2]" 1
515 1 84 ILE H 1 100 VAL HA 1.800 . 6.500 4.024 3.421 4.332 . 0 0 "[ . 1 . 2]" 1
516 1 84 ILE H 1 99 ILE HA 1.800 . 6.400 5.374 5.171 5.554 . 0 0 "[ . 1 . 2]" 1
517 1 84 ILE H 1 99 ILE HB 1.800 . 6.400 4.783 3.194 5.647 . 0 0 "[ . 1 . 2]" 1
518 1 84 ILE H 1 98 THR MG 1.800 . 5.400 3.418 2.505 5.415 0.015 16 0 "[ . 1 . 2]" 1
519 1 85 PRO HA 1 86 VAL H 1.800 . 4.900 2.173 2.151 2.211 . 0 0 "[ . 1 . 2]" 1
520 1 85 PRO HA 1 98 THR MG 1.800 . 5.900 3.674 2.707 5.519 . 0 0 "[ . 1 . 2]" 1
521 1 85 PRO HA 1 99 ILE H 1.800 . 4.900 4.292 3.818 4.686 . 0 0 "[ . 1 . 2]" 1
522 1 85 PRO HB2 1 86 VAL H 1.800 . 5.600 3.831 3.576 3.984 . 0 0 "[ . 1 . 2]" 1
523 1 85 PRO HB3 1 86 VAL H 1.800 . 5.600 4.212 4.030 4.326 . 0 0 "[ . 1 . 2]" 1
524 1 86 VAL H 1 97 ALA H 1.800 . 4.100 4.117 4.052 4.158 0.058 17 0 "[ . 1 . 2]" 1
525 1 86 VAL H 1 96 SER HA 1.800 . 6.200 5.642 5.502 5.750 . 0 0 "[ . 1 . 2]" 1
526 1 86 VAL H 1 97 ALA MB 1.800 . 5.300 4.844 4.717 4.952 . 0 0 "[ . 1 . 2]" 1
527 1 86 VAL HA 1 87 VAL H 1.800 . 3.600 2.155 2.141 2.202 . 0 0 "[ . 1 . 2]" 1
528 1 86 VAL HB 1 87 VAL H 1.800 . 5.600 4.163 3.004 4.358 . 0 0 "[ . 1 . 2]" 1
529 1 57 VAL H 1 87 VAL H 1.800 . 4.600 4.598 4.198 4.690 0.090 14 0 "[ . 1 . 2]" 1
530 1 58 ARG H 1 87 VAL H 1.800 . 4.800 3.829 2.894 4.937 0.137 2 0 "[ . 1 . 2]" 1
531 1 60 ALA H 1 87 VAL H 1.800 . 5.600 5.656 5.601 5.712 0.112 10 0 "[ . 1 . 2]" 1
532 1 58 ARG HA 1 87 VAL H 1.800 . 4.600 3.415 2.123 4.608 0.008 8 0 "[ . 1 . 2]" 1
533 1 87 VAL HA 1 96 SER HA 1.800 . 4.500 2.788 2.398 3.133 . 0 0 "[ . 1 . 2]" 1
534 1 87 VAL HA 1 88 PHE H 1.800 . 4.600 2.153 2.140 2.184 . 0 0 "[ . 1 . 2]" 1
535 1 88 PHE H 1 89 SER H 1.800 . 6.200 4.498 4.443 4.541 . 0 0 "[ . 1 . 2]" 1
536 1 88 PHE H 1 96 SER HA 1.800 . 4.600 3.261 3.050 3.406 . 0 0 "[ . 1 . 2]" 1
537 1 88 PHE H 1 95 MET HG3 1.800 . 5.600 5.502 4.987 5.674 0.074 9 0 "[ . 1 . 2]" 1
538 1 88 PHE H 1 95 MET HB3 1.800 . 5.200 4.536 4.001 5.323 0.123 9 0 "[ . 1 . 2]" 1
539 1 88 PHE HB2 1 89 SER H 1.800 . 5.600 3.225 2.525 3.785 . 0 0 "[ . 1 . 2]" 1
540 1 88 PHE HB3 1 89 SER H 1.800 . 5.600 4.089 2.479 4.325 . 0 0 "[ . 1 . 2]" 1
541 1 88 PHE HA 1 89 SER H 1.800 . 4.600 2.273 2.185 2.398 . 0 0 "[ . 1 . 2]" 1
542 1 89 SER HB2 1 94 VAL HA 1.800 . 5.600 5.326 4.747 5.608 0.008 12 0 "[ . 1 . 2]" 1
543 1 56 LEU HA 1 89 SER H 1.800 . 4.900 4.609 4.007 4.969 0.069 18 0 "[ . 1 . 2]" 1
544 1 55 GLN HG3 1 89 SER HB2 1.800 . 5.600 4.139 3.205 5.062 . 0 0 "[ . 1 . 2]" 1
545 1 89 SER HA 1 94 VAL HA 1.800 . 4.900 3.508 3.360 3.567 . 0 0 "[ . 1 . 2]" 1
546 1 89 SER HA 1 90 ARG HB3 1.800 . 5.600 4.831 4.556 5.518 . 0 0 "[ . 1 . 2]" 1
547 1 89 SER HA 1 94 VAL MG2 1.800 . 5.200 4.846 4.533 5.203 0.003 9 0 "[ . 1 . 2]" 1
548 1 89 SER HB3 1 90 ARG H 1.800 . 5.600 3.019 2.918 3.475 . 0 0 "[ . 1 . 2]" 1
549 1 89 SER HB2 1 90 ARG H 1.800 . 5.600 4.207 4.152 4.447 . 0 0 "[ . 1 . 2]" 1
550 1 89 SER HA 1 90 ARG H 1.800 . 3.900 2.252 2.153 2.262 . 0 0 "[ . 1 . 2]" 1
551 1 90 ARG H 1 91 ASP HB2 1.800 . 6.200 5.528 5.381 5.972 . 0 0 "[ . 1 . 2]" 1
552 1 90 ARG H 1 91 ASP H 1.800 . 5.900 3.452 3.297 3.584 . 0 0 "[ . 1 . 2]" 1
553 1 90 ARG H 1 94 VAL H 1.800 . 6.000 4.991 4.885 5.111 . 0 0 "[ . 1 . 2]" 1
554 1 90 ARG H 1 93 VAL H 1.800 . 4.000 2.758 2.574 3.250 . 0 0 "[ . 1 . 2]" 1
555 1 90 ARG H 1 94 VAL HA 1.800 . 5.000 4.623 4.515 4.711 . 0 0 "[ . 1 . 2]" 1
556 1 90 ARG HA 1 91 ASP H 1.800 . 3.600 2.409 2.368 2.478 . 0 0 "[ . 1 . 2]" 1
557 1 91 ASP H 1 92 GLY H 1.800 . 4.600 2.812 2.690 3.420 . 0 0 "[ . 1 . 2]" 1
558 1 91 ASP H 1 92 GLY HA3 1.800 . 6.000 5.336 5.285 5.590 . 0 0 "[ . 1 . 2]" 1
559 1 91 ASP H 1 93 VAL H 1.800 . 5.900 3.811 3.721 3.883 . 0 0 "[ . 1 . 2]" 1
560 1 16 ASP HA 1 91 ASP H 1.800 . 5.900 5.662 5.245 5.973 0.073 20 0 "[ . 1 . 2]" 1
561 1 90 ARG HA 1 91 ASP HB2 1.800 . 5.900 4.814 4.651 4.864 . 0 0 "[ . 1 . 2]" 1
562 1 16 ASP HB3 1 91 ASP HB2 1.800 . 5.900 5.802 4.902 5.973 0.073 18 0 "[ . 1 . 2]" 1
563 1 91 ASP HB2 1 92 GLY H 1.800 . 6.500 4.307 4.271 4.371 . 0 0 "[ . 1 . 2]" 1
564 1 91 ASP HB3 1 92 GLY H 1.800 . 6.500 4.476 4.155 4.535 . 0 0 "[ . 1 . 2]" 1
565 1 90 ARG H 1 92 GLY H 1.800 . 5.900 3.771 3.550 4.870 . 0 0 "[ . 1 . 2]" 1
566 1 92 GLY H 1 93 VAL H 1.800 . 4.600 2.634 2.472 2.881 . 0 0 "[ . 1 . 2]" 1
567 1 92 GLY H 1 93 VAL HB 1.800 . 6.000 4.708 4.621 5.058 . 0 0 "[ . 1 . 2]" 1
568 1 16 ASP HB3 1 92 GLY H 1.800 . 4.900 3.138 2.487 3.404 . 0 0 "[ . 1 . 2]" 1
569 1 92 GLY HA3 1 93 VAL H 1.800 . 4.600 3.067 2.969 3.164 . 0 0 "[ . 1 . 2]" 1
570 1 91 ASP HB2 1 93 VAL H 1.800 . 6.200 4.046 3.938 4.359 . 0 0 "[ . 1 . 2]" 1
571 1 91 ASP HB3 1 93 VAL H 1.800 . 6.200 5.158 5.037 5.253 . 0 0 "[ . 1 . 2]" 1
572 1 89 SER HA 1 93 VAL H 1.800 . 5.900 4.577 4.405 4.749 . 0 0 "[ . 1 . 2]" 1
573 1 90 ARG H 1 93 VAL HB 1.800 . 4.900 1.974 1.917 2.078 . 0 0 "[ . 1 . 2]" 1
574 1 93 VAL HA 1 94 VAL H 1.800 . 3.600 2.196 2.146 2.240 . 0 0 "[ . 1 . 2]" 1
575 1 93 VAL HB 1 94 VAL H 1.800 . 5.600 4.037 3.895 4.228 . 0 0 "[ . 1 . 2]" 1
576 1 93 VAL H 1 94 VAL H 1.800 . 5.600 4.589 4.503 4.620 . 0 0 "[ . 1 . 2]" 1
577 1 94 VAL H 1 95 MET H 1.800 . 5.600 4.252 4.230 4.340 . 0 0 "[ . 1 . 2]" 1
578 1 89 SER HA 1 94 VAL H 1.800 . 6.200 5.173 5.088 5.247 . 0 0 "[ . 1 . 2]" 1
579 1 94 VAL HA 1 94 VAL MG2 1.800 . 5.200 2.369 2.054 2.431 . 0 0 "[ . 1 . 2]" 1
580 1 94 VAL HA 1 95 MET H 1.800 . 3.600 2.146 2.142 2.148 . 0 0 "[ . 1 . 2]" 1
581 1 94 VAL MG2 1 95 MET H 1.800 . 4.600 3.696 2.493 4.143 . 0 0 "[ . 1 . 2]" 1
582 1 95 MET H 1 96 SER H 1.800 . 6.200 4.393 4.354 4.432 . 0 0 "[ . 1 . 2]" 1
583 1 95 MET H 1 95 MET HG3 1.800 . 6.200 4.459 3.073 4.691 . 0 0 "[ . 1 . 2]" 1
584 1 88 PHE H 1 95 MET H 1.800 . 4.900 4.127 3.936 4.356 . 0 0 "[ . 1 . 2]" 1
585 1 89 SER HA 1 95 MET H 1.800 . 4.900 3.601 3.406 3.718 . 0 0 "[ . 1 . 2]" 1
586 1 89 SER HB2 1 95 MET H 1.800 . 6.000 5.772 5.315 6.023 0.023 18 0 "[ . 1 . 2]" 1
587 1 89 SER HB3 1 95 MET H 1.800 . 6.000 5.987 5.676 6.079 0.079 18 0 "[ . 1 . 2]" 1
588 1 95 MET HA 1 96 SER H 1.800 . 3.600 2.339 2.291 2.435 . 0 0 "[ . 1 . 2]" 1
589 1 95 MET HB2 1 96 SER H 1.800 . 4.600 3.928 3.324 4.020 . 0 0 "[ . 1 . 2]" 1
590 1 95 MET HB3 1 96 SER H 1.800 . 4.600 3.478 2.456 3.825 . 0 0 "[ . 1 . 2]" 1
591 1 95 MET HG2 1 96 SER H 1.800 . 5.600 3.789 3.641 4.488 . 0 0 "[ . 1 . 2]" 1
592 1 95 MET HG3 1 96 SER H 1.800 . 5.600 2.375 1.927 5.089 . 0 0 "[ . 1 . 2]" 1
593 1 96 SER HA 1 97 ALA MB 1.800 . 6.400 3.901 3.829 3.963 . 0 0 "[ . 1 . 2]" 1
594 1 96 SER HA 1 97 ALA H 1.800 . 3.600 2.168 2.155 2.187 . 0 0 "[ . 1 . 2]" 1
595 1 97 ALA H 1 97 ALA MB 1.800 . 4.600 2.598 2.558 2.654 . 0 0 "[ . 1 . 2]" 1
596 1 97 ALA H 1 98 THR H 1.800 . 5.900 4.330 4.323 4.335 . 0 0 "[ . 1 . 2]" 1
597 1 97 ALA H 1 98 THR HA 1.800 . 4.900 4.706 4.698 4.713 . 0 0 "[ . 1 . 2]" 1
598 1 96 SER H 1 97 ALA H 1.800 . 5.900 4.417 4.300 4.472 . 0 0 "[ . 1 . 2]" 1
599 1 86 VAL HB 1 97 ALA H 1.800 . 5.600 4.816 4.511 5.665 0.065 14 0 "[ . 1 . 2]" 1
600 1 87 VAL HB 1 97 ALA H 1.800 . 6.500 5.956 4.718 6.523 0.023 5 0 "[ . 1 . 2]" 1
601 1 97 ALA HA 1 98 THR H 1.800 . 3.600 2.203 2.198 2.209 . 0 0 "[ . 1 . 2]" 1
602 1 48 ALA MB 1 98 THR HA 1.800 . 5.400 5.338 4.733 5.473 0.073 11 0 "[ . 1 . 2]" 1
603 1 86 VAL H 1 98 THR HA 1.800 . 4.900 3.031 2.784 3.315 . 0 0 "[ . 1 . 2]" 1
604 1 48 ALA MB 1 98 THR MG 1.800 . 5.400 5.213 4.874 5.411 0.011 12 0 "[ . 1 . 2]" 1
605 1 98 THR HB 1 99 ILE H 1.800 . 5.400 4.115 3.916 4.259 . 0 0 "[ . 1 . 2]" 1
606 1 98 THR HA 1 98 THR MG 1.800 . 5.400 2.401 2.226 3.196 . 0 0 "[ . 1 . 2]" 1
607 1 98 THR HA 1 99 ILE H 1.800 . 3.600 2.156 2.142 2.170 . 0 0 "[ . 1 . 2]" 1
608 1 98 THR MG 1 99 ILE H 1.800 . 4.600 2.708 2.271 4.119 . 0 0 "[ . 1 . 2]" 1
609 1 48 ALA MB 1 99 ILE HA 1.800 . 5.400 2.183 1.916 2.970 . 0 0 "[ . 1 . 2]" 1
610 1 99 ILE HA 1 100 VAL H 1.800 . 3.600 2.148 2.144 2.153 . 0 0 "[ . 1 . 2]" 1
611 1 99 ILE HB 1 100 VAL H 1.800 . 5.600 3.607 3.234 4.346 . 0 0 "[ . 1 . 2]" 1
612 1 48 ALA MB 1 100 VAL H 1.800 . 5.600 3.090 2.052 4.478 . 0 0 "[ . 1 . 2]" 1
613 1 100 VAL HA 1 101 VAL H 1.800 . 4.600 2.213 2.146 2.275 . 0 0 "[ . 1 . 2]" 1
614 1 100 VAL HB 1 101 VAL H 1.800 . 5.600 3.873 3.607 4.027 . 0 0 "[ . 1 . 2]" 1
615 1 101 VAL H 1 102 GLY H 1.800 . 6.000 4.376 4.334 4.587 . 0 0 "[ . 1 . 2]" 1
616 1 100 VAL H 1 101 VAL H 1.800 . 6.000 4.094 3.912 4.331 . 0 0 "[ . 1 . 2]" 1
617 1 100 VAL HB 1 101 VAL HB 1.800 . 6.200 6.144 5.964 6.531 0.331 17 0 "[ . 1 . 2]" 1
618 1 83 SER HA 1 101 VAL H 1.800 . 4.900 4.126 3.415 4.524 . 0 0 "[ . 1 . 2]" 1
619 1 82 ALA MB 1 101 VAL H 1.800 . 5.400 3.969 3.476 4.516 . 0 0 "[ . 1 . 2]" 1
620 1 44 PRO HA 1 101 VAL HB 1.800 . 6.000 5.999 5.551 6.080 0.080 19 0 "[ . 1 . 2]" 1
621 1 101 VAL HA 1 102 GLY H 1.800 . 4.600 2.155 2.148 2.181 . 0 0 "[ . 1 . 2]" 1
622 1 101 VAL HB 1 102 GLY H 1.800 . 5.600 4.306 3.612 4.448 . 0 0 "[ . 1 . 2]" 1
623 1 44 PRO HA 1 102 GLY H 1.800 . 5.800 4.458 2.894 5.602 . 0 0 "[ . 1 . 2]" 1
624 1 102 GLY HA2 1 103 GLU H 1.800 . 5.600 2.321 2.139 3.558 . 0 0 "[ . 1 . 2]" 1
625 1 102 GLY HA3 1 103 GLU H 1.800 . 5.600 3.344 2.731 3.569 . 0 0 "[ . 1 . 2]" 1
626 1 101 VAL HA 1 103 GLU H 1.800 . 6.000 5.297 4.032 6.013 0.013 17 0 "[ . 1 . 2]" 1
627 1 103 GLU H 1 104 LEU H 1.800 . 6.000 3.024 2.139 4.632 . 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 36
_Distance_constraint_stats_list.Viol_count 720
_Distance_constraint_stats_list.Viol_total 898.361
_Distance_constraint_stats_list.Viol_max 0.254
_Distance_constraint_stats_list.Viol_rms 0.0429
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0624
_Distance_constraint_stats_list.Viol_average_violations_only 0.0624
_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 1.708 0.064 2 0 "[ . 1 . 2]"
1 12 ALA 3.422 0.097 13 0 "[ . 1 . 2]"
1 24 SER 3.422 0.097 13 0 "[ . 1 . 2]"
1 25 ILE 4.746 0.176 18 0 "[ . 1 . 2]"
1 26 GLN 1.708 0.064 2 0 "[ . 1 . 2]"
1 54 ASP 4.746 0.176 18 0 "[ . 1 . 2]"
1 55 GLN 5.426 0.157 18 0 "[ . 1 . 2]"
1 57 VAL 2.545 0.210 14 0 "[ . 1 . 2]"
1 59 PHE 3.918 0.243 10 0 "[ . 1 . 2]"
1 62 TYR 3.918 0.243 10 0 "[ . 1 . 2]"
1 82 ALA 4.561 0.172 19 0 "[ . 1 . 2]"
1 84 ILE 2.837 0.091 6 0 "[ . 1 . 2]"
1 86 VAL 4.903 0.135 18 0 "[ . 1 . 2]"
1 87 VAL 2.545 0.210 14 0 "[ . 1 . 2]"
1 88 PHE 5.979 0.202 7 0 "[ . 1 . 2]"
1 89 SER 5.426 0.157 18 0 "[ . 1 . 2]"
1 90 ARG 4.872 0.254 20 0 "[ . 1 . 2]"
1 93 VAL 4.872 0.254 20 0 "[ . 1 . 2]"
1 95 MET 5.979 0.202 7 0 "[ . 1 . 2]"
1 97 ALA 4.903 0.135 18 0 "[ . 1 . 2]"
1 99 ILE 2.837 0.091 6 0 "[ . 1 . 2]"
1 101 VAL 4.561 0.172 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 2.537 2.492 2.561 0.061 19 0 "[ . 1 . 2]" 2
2 1 10 ARG O 1 26 GLN N 3.500 3.500 3.500 3.452 3.436 3.476 0.064 2 0 "[ . 1 . 2]" 2
3 1 12 ALA H 1 24 SER O 2.500 2.500 2.500 2.540 2.513 2.588 0.088 11 0 "[ . 1 . 2]" 2
4 1 12 ALA N 1 24 SER O 3.500 3.500 3.500 3.477 3.442 3.502 0.058 8 0 "[ . 1 . 2]" 2
5 1 12 ALA O 1 24 SER H 2.500 2.500 2.500 2.548 2.507 2.585 0.085 18 0 "[ . 1 . 2]" 2
6 1 12 ALA O 1 24 SER N 3.500 3.500 3.500 3.441 3.403 3.475 0.097 13 0 "[ . 1 . 2]" 2
7 1 82 ALA O 1 101 VAL H 2.500 2.500 2.500 2.574 2.520 2.635 0.135 9 0 "[ . 1 . 2]" 2
8 1 82 ALA O 1 101 VAL N 3.500 3.500 3.500 3.456 3.423 3.527 0.077 9 0 "[ . 1 . 2]" 2
9 1 82 ALA H 1 101 VAL O 2.500 2.500 2.500 2.517 2.456 2.607 0.107 10 0 "[ . 1 . 2]" 2
10 1 82 ALA N 1 101 VAL O 3.500 3.500 3.500 3.417 3.328 3.475 0.172 19 0 "[ . 1 . 2]" 2
11 1 84 ILE O 1 99 ILE H 2.500 2.500 2.500 2.535 2.503 2.579 0.079 17 0 "[ . 1 . 2]" 2
12 1 84 ILE O 1 99 ILE N 3.500 3.500 3.500 3.476 3.421 3.520 0.079 20 0 "[ . 1 . 2]" 2
13 1 84 ILE H 1 99 ILE O 2.500 2.500 2.500 2.525 2.503 2.558 0.058 15 0 "[ . 1 . 2]" 2
14 1 84 ILE N 1 99 ILE O 3.500 3.500 3.500 3.449 3.409 3.506 0.091 6 0 "[ . 1 . 2]" 2
15 1 86 VAL O 1 97 ALA H 2.500 2.500 2.500 2.523 2.482 2.563 0.063 4 0 "[ . 1 . 2]" 2
16 1 86 VAL O 1 97 ALA N 3.500 3.500 3.500 3.430 3.389 3.471 0.111 12 0 "[ . 1 . 2]" 2
17 1 86 VAL H 1 97 ALA O 2.500 2.500 2.500 2.598 2.563 2.635 0.135 18 0 "[ . 1 . 2]" 2
18 1 86 VAL N 1 97 ALA O 3.500 3.500 3.500 3.449 3.398 3.476 0.102 17 0 "[ . 1 . 2]" 2
19 1 88 PHE O 1 95 MET H 2.500 2.500 2.500 2.587 2.523 2.676 0.176 7 0 "[ . 1 . 2]" 2
20 1 88 PHE O 1 95 MET N 3.500 3.500 3.500 3.477 3.388 3.574 0.112 12 0 "[ . 1 . 2]" 2
21 1 88 PHE H 1 95 MET O 2.500 2.500 2.500 2.562 2.490 2.615 0.115 14 0 "[ . 1 . 2]" 2
22 1 88 PHE N 1 95 MET O 3.500 3.500 3.500 3.388 3.298 3.467 0.202 7 0 "[ . 1 . 2]" 2
23 1 90 ARG O 1 93 VAL H 2.500 2.500 2.500 2.571 2.551 2.617 0.117 20 0 "[ . 1 . 2]" 2
24 1 90 ARG O 1 93 VAL N 3.500 3.500 3.500 3.492 3.460 3.544 0.044 20 0 "[ . 1 . 2]" 2
25 1 90 ARG H 1 93 VAL O 2.500 2.500 2.500 2.493 2.412 2.530 0.088 7 0 "[ . 1 . 2]" 2
26 1 90 ARG N 1 93 VAL O 3.500 3.500 3.500 3.373 3.246 3.415 0.254 20 0 "[ . 1 . 2]" 2
27 1 55 GLN H 1 89 SER O 2.500 2.500 2.500 2.591 2.552 2.627 0.127 6 0 "[ . 1 . 2]" 2
28 1 55 GLN N 1 89 SER O 3.500 3.500 3.500 3.413 3.343 3.451 0.157 18 0 "[ . 1 . 2]" 2
29 1 55 GLN O 1 89 SER H 2.500 2.500 2.500 2.541 2.502 2.594 0.094 10 0 "[ . 1 . 2]" 2
30 1 55 GLN O 1 89 SER N 3.500 3.500 3.500 3.450 3.404 3.520 0.096 18 0 "[ . 1 . 2]" 2
31 1 57 VAL H 1 87 VAL O 2.500 2.500 2.500 2.562 2.510 2.614 0.114 2 0 "[ . 1 . 2]" 2
32 1 57 VAL N 1 87 VAL O 3.500 3.500 3.500 3.441 3.290 3.531 0.210 14 0 "[ . 1 . 2]" 2
33 1 25 ILE O 1 54 ASP H 2.500 2.500 2.500 2.632 2.589 2.676 0.176 18 0 "[ . 1 . 2]" 2
34 1 25 ILE O 1 54 ASP N 3.500 3.500 3.500 3.395 3.342 3.421 0.158 17 0 "[ . 1 . 2]" 2
35 1 59 PHE O 1 62 TYR H 2.500 2.500 2.500 2.601 2.475 2.743 0.243 10 0 "[ . 1 . 2]" 2
36 1 59 PHE O 1 62 TYR N 3.500 3.500 3.500 3.477 3.359 3.614 0.141 5 0 "[ . 1 . 2]" 2
stop_
save_
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