NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
396008 |
1s5r   |
4635 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1s5r
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 993
_Distance_constraint_stats_list.Viol_count 668
_Distance_constraint_stats_list.Viol_total 1333.273
_Distance_constraint_stats_list.Viol_max 0.945
_Distance_constraint_stats_list.Viol_rms 0.0334
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0998
_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 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.071 0.053 1 0 "[ . 1 . 2]"
1 16 MET 0.148 0.111 3 0 "[ . 1 . 2]"
1 17 ALA 0.012 0.012 14 0 "[ . 1 . 2]"
1 18 ARG 1.278 0.212 3 0 "[ . 1 . 2]"
1 19 GLN 0.111 0.111 3 0 "[ . 1 . 2]"
1 20 ARG 0.012 0.012 14 0 "[ . 1 . 2]"
1 21 ARG 2.661 0.224 14 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 LEU 1.568 0.501 17 1 "[ . 1 . + 2]"
2 3 GLN 0.043 0.024 18 0 "[ . 1 . 2]"
2 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ASN 3.401 0.324 9 0 "[ . 1 . 2]"
2 6 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 VAL 0.066 0.038 2 0 "[ . 1 . 2]"
2 9 GLU 0.066 0.038 2 0 "[ . 1 . 2]"
2 12 HIS 0.023 0.023 13 0 "[ . 1 . 2]"
2 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 TYR 0.183 0.077 17 0 "[ . 1 . 2]"
2 17 VAL 0.605 0.124 11 0 "[ . 1 . 2]"
2 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 LYS 10.026 0.663 10 7 "[ **** +- *. 2]"
2 20 ILE 7.875 0.663 10 6 "[ *** +- *. 2]"
2 21 LYS 0.524 0.247 8 0 "[ . 1 . 2]"
2 22 ASN 1.542 0.634 4 1 "[ +. 1 . 2]"
2 23 ARG 0.144 0.074 3 0 "[ . 1 . 2]"
2 24 PHE 0.919 0.711 9 1 "[ . +1 . 2]"
2 25 GLN 1.799 0.268 11 0 "[ . 1 . 2]"
2 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 GLN 2.997 0.711 9 2 "[ . -+1 . 2]"
2 28 PRO 0.009 0.009 9 0 "[ . 1 . 2]"
2 29 ASP 0.378 0.191 5 0 "[ . 1 . 2]"
2 30 ILE 2.992 0.582 8 1 "[ . + 1 . 2]"
2 31 TYR 0.557 0.247 8 0 "[ . 1 . 2]"
2 32 LYS 0.007 0.007 15 0 "[ . 1 . 2]"
2 33 ALA 0.122 0.028 6 0 "[ . 1 . 2]"
2 34 PHE 1.190 0.096 16 0 "[ . 1 . 2]"
2 35 LEU 0.509 0.115 6 0 "[ . 1 . 2]"
2 36 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 ILE 3.879 0.928 18 4 "[ . 1- . +**]"
2 38 LEU 0.318 0.123 14 0 "[ . 1 . 2]"
2 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 THR 0.052 0.037 9 0 "[ . 1 . 2]"
2 41 TYR 5.232 0.945 18 4 "[ . 1* . +-*]"
2 42 GLN 0.240 0.078 1 0 "[ . 1 . 2]"
2 43 LYS 0.643 0.051 1 0 "[ . 1 . 2]"
2 44 GLU 5.029 0.701 17 3 "[ . - * . + 2]"
2 45 GLN 0.123 0.078 1 0 "[ . 1 . 2]"
2 46 ARG 0.945 0.299 10 0 "[ . 1 . 2]"
2 47 ASN 5.308 0.540 8 1 "[ . + 1 . 2]"
2 48 ALA 1.889 0.324 19 0 "[ . 1 . 2]"
2 49 LYS 1.211 0.109 13 0 "[ . 1 . 2]"
2 50 GLU 1.631 0.344 5 0 "[ . 1 . 2]"
2 51 ALA 0.445 0.344 5 0 "[ . 1 . 2]"
2 52 GLY 0.015 0.010 9 0 "[ . 1 . 2]"
2 53 GLY 0.015 0.010 9 0 "[ . 1 . 2]"
2 54 ASN 0.016 0.016 10 0 "[ . 1 . 2]"
2 55 TYR 0.191 0.032 20 0 "[ . 1 . 2]"
2 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 PRO 0.087 0.019 19 0 "[ . 1 . 2]"
2 58 ALA 0.046 0.019 15 0 "[ . 1 . 2]"
2 59 LEU 11.623 0.945 18 4 "[ . 1* . +-*]"
2 60 THR 0.002 0.002 12 0 "[ . 1 . 2]"
2 61 GLU 2.289 0.719 7 2 "[ . + 1- . 2]"
2 62 GLN 0.813 0.360 7 0 "[ . 1 . 2]"
2 63 GLU 1.651 0.105 18 0 "[ . 1 . 2]"
2 64 VAL 0.223 0.128 18 0 "[ . 1 . 2]"
2 65 TYR 0.385 0.085 4 0 "[ . 1 . 2]"
2 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLN 0.154 0.046 5 0 "[ . 1 . 2]"
2 68 VAL 1.072 0.096 16 0 "[ . 1 . 2]"
2 69 ALA 1.309 0.161 3 0 "[ . 1 . 2]"
2 70 ARG 0.061 0.022 10 0 "[ . 1 . 2]"
2 71 LEU 1.164 0.058 11 0 "[ . 1 . 2]"
2 72 PHE 0.434 0.053 14 0 "[ . 1 . 2]"
2 73 LYS 0.060 0.038 16 0 "[ . 1 . 2]"
2 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 GLN 0.363 0.159 11 0 "[ . 1 . 2]"
2 76 GLU 0.064 0.028 20 0 "[ . 1 . 2]"
2 77 ASP 1.477 0.739 18 2 "[ . - 1 . + 2]"
2 78 LEU 5.317 0.739 18 2 "[ . - 1 . + 2]"
2 79 LEU 5.274 0.222 17 0 "[ . 1 . 2]"
2 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 GLU 0.090 0.070 8 0 "[ . 1 . 2]"
2 82 PHE 0.546 0.128 18 0 "[ . 1 . 2]"
2 83 GLY 0.282 0.085 4 0 "[ . 1 . 2]"
2 84 GLN 0.064 0.064 15 0 "[ . 1 . 2]"
2 85 PHE 0.091 0.064 15 0 "[ . 1 . 2]"
2 86 LEU 1.697 0.719 7 2 "[ . + 1- . 2]"
2 87 PRO 0.332 0.041 5 0 "[ . 1 . 2]"
2 88 ASP 0.059 0.056 11 0 "[ . 1 . 2]"
2 89 ALA 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 2 65 TYR QD 2 86 LEU QD 2.400 . 3.100 2.610 1.806 3.125 0.025 9 0 "[ . 1 . 2]" 1
2 2 65 TYR HB2 2 65 TYR QD 2.500 . 3.300 2.481 2.275 2.660 . 0 0 "[ . 1 . 2]" 1
3 2 65 TYR HA 2 65 TYR QD 2.700 . 3.600 2.556 1.834 3.078 . 0 0 "[ . 1 . 2]" 1
4 2 82 PHE HA 2 85 PHE QD 2.200 . 2.800 2.052 1.752 2.804 0.004 17 0 "[ . 1 . 2]" 1
5 2 65 TYR QD 2 69 ALA MB 3.100 . 4.300 3.328 2.429 3.994 . 0 0 "[ . 1 . 2]" 1
6 2 55 TYR HA 2 55 TYR QD 2.600 . 3.500 2.852 2.654 3.055 . 0 0 "[ . 1 . 2]" 1
7 2 41 TYR HA 2 41 TYR QD 2.800 . 3.800 2.843 2.344 3.009 . 0 0 "[ . 1 . 2]" 1
8 2 41 TYR HB3 2 41 TYR QD 2.700 . 3.600 2.369 2.272 2.419 . 0 0 "[ . 1 . 2]" 1
9 2 41 TYR QD 2 59 LEU HB3 3.400 . 4.800 3.099 2.353 5.514 0.714 18 3 "[ . 1* . +-2]" 1
10 2 16 TYR HA 2 16 TYR QD 2.700 . 3.600 2.522 2.106 2.992 . 0 0 "[ . 1 . 2]" 1
11 2 31 TYR HA 2 31 TYR QD 2.400 . 3.100 2.317 2.039 2.721 . 0 0 "[ . 1 . 2]" 1
12 2 16 TYR HB3 2 16 TYR QD 2.900 . 3.900 2.310 2.276 2.508 . 0 0 "[ . 1 . 2]" 1
13 2 16 TYR HB2 2 16 TYR QD 2.700 . 3.600 2.558 2.315 2.710 . 0 0 "[ . 1 . 2]" 1
14 2 31 TYR HB2 2 31 TYR QD 2.300 . 2.900 2.651 2.524 2.746 . 0 0 "[ . 1 . 2]" 1
15 2 20 ILE MG 2 31 TYR QD 2.300 . 3.000 2.136 1.904 2.384 . 0 0 "[ . 1 . 2]" 1
16 2 31 TYR QE 2 35 LEU QD 2.700 . 3.600 2.532 2.366 2.994 . 0 0 "[ . 1 . 2]" 1
17 2 21 LYS HG3 2 31 TYR QE 2.600 . 3.500 3.313 2.214 3.747 0.247 8 0 "[ . 1 . 2]" 1
18 2 17 VAL QG 2 31 TYR QE 2.800 . 3.800 2.978 2.391 3.417 . 0 0 "[ . 1 . 2]" 1
19 2 65 TYR QE 2 79 LEU QD 2.800 . 3.800 3.166 2.388 3.361 . 0 0 "[ . 1 . 2]" 1
20 2 16 TYR QE 2 81 GLU QB 2.600 . 3.400 2.494 1.930 2.977 0.070 8 0 "[ . 1 . 2]" 1
21 2 65 TYR QE 2 83 GLY HA3 2.800 . 3.800 3.369 2.407 3.885 0.085 4 0 "[ . 1 . 2]" 1
22 2 55 TYR QE 2 57 PRO HA 2.500 . 3.300 2.420 1.948 3.169 . 0 0 "[ . 1 . 2]" 1
23 2 48 ALA MB 2 55 TYR QE 2.900 . 4.000 2.982 2.284 3.440 . 0 0 "[ . 1 . 2]" 1
24 2 55 TYR QE 2 57 PRO HG3 3.400 . 4.900 3.745 2.953 4.363 . 0 0 "[ . 1 . 2]" 1
25 2 55 TYR QE 2 57 PRO HB3 3.100 . 4.300 3.983 3.328 4.319 0.019 19 0 "[ . 1 . 2]" 1
26 2 47 ASN HB2 2 55 TYR QE 3.400 . 4.900 4.022 2.772 4.914 0.014 1 0 "[ . 1 . 2]" 1
27 2 47 ASN HB3 2 55 TYR QE 3.300 . 4.600 3.611 2.592 4.594 . 0 0 "[ . 1 . 2]" 1
28 2 55 TYR HB2 2 55 TYR QD 2.400 . 3.100 2.431 2.343 2.509 . 0 0 "[ . 1 . 2]" 1
29 2 55 TYR HB3 2 55 TYR QD 2.200 . 2.800 2.374 2.316 2.464 . 0 0 "[ . 1 . 2]" 1
30 2 48 ALA HA 2 55 TYR QD 2.500 . 3.300 2.454 1.963 2.829 . 0 0 "[ . 1 . 2]" 1
31 2 72 PHE QD 2 79 LEU QD 3.400 . 4.800 2.107 1.986 2.206 0.014 18 0 "[ . 1 . 2]" 1
32 2 72 PHE HB2 2 72 PHE QD 3.200 . 4.500 2.297 2.259 2.350 . 0 0 "[ . 1 . 2]" 1
33 2 72 PHE HB3 2 72 PHE QD 3.400 . 4.800 2.521 2.423 2.660 . 0 0 "[ . 1 . 2]" 1
34 2 72 PHE HA 2 72 PHE QD 2.500 . 3.300 2.633 2.286 2.953 . 0 0 "[ . 1 . 2]" 1
35 2 65 TYR HA 2 82 PHE QE 3.200 . 4.500 3.069 2.754 3.448 . 0 0 "[ . 1 . 2]" 1
36 2 30 ILE MG 2 72 PHE QD 3.400 . 4.900 3.139 2.407 3.679 . 0 0 "[ . 1 . 2]" 1
37 2 68 VAL QG 2 72 PHE QD 3.700 . 6.000 2.684 2.451 2.917 . 0 0 "[ . 1 . 2]" 1
38 2 13 ALA MB 2 85 PHE QE 3.200 . 4.500 2.983 2.305 4.495 . 0 0 "[ . 1 . 2]" 1
39 2 12 HIS QB 2 85 PHE QE 3.900 . 5.800 2.767 1.977 3.743 0.023 13 0 "[ . 1 . 2]" 1
40 2 30 ILE MG 2 72 PHE QE 3.000 . 4.100 2.408 2.134 2.696 . 0 0 "[ . 1 . 2]" 1
41 2 20 ILE MD 2 72 PHE QE 3.200 . 4.500 4.123 3.771 4.503 0.003 14 0 "[ . 1 . 2]" 1
42 2 24 PHE HA 2 24 PHE QD 3.000 . 4.100 3.006 2.826 3.104 . 0 0 "[ . 1 . 2]" 1
43 2 24 PHE HB3 2 24 PHE QD 3.000 . 4.100 2.346 2.288 2.425 . 0 0 "[ . 1 . 2]" 1
44 2 20 ILE HA 2 24 PHE QD 3.300 . 4.600 2.629 2.041 3.324 . 0 0 "[ . 1 . 2]" 1
45 2 24 PHE HB2 2 24 PHE QD 3.000 . 4.100 2.431 2.344 2.525 . 0 0 "[ . 1 . 2]" 1
46 2 24 PHE QD 2 27 GLN HB2 3.600 . 5.300 3.170 2.088 4.955 . 0 0 "[ . 1 . 2]" 1
47 2 20 ILE MG 2 24 PHE QD 2.800 . 3.800 2.509 1.876 3.337 . 0 0 "[ . 1 . 2]" 1
48 2 82 PHE HA 2 82 PHE QD 2.800 . 3.800 2.719 2.530 2.891 . 0 0 "[ . 1 . 2]" 1
49 2 82 PHE HB3 2 82 PHE QD 2.800 . 3.800 2.319 2.279 2.371 . 0 0 "[ . 1 . 2]" 1
50 2 82 PHE HB2 2 82 PHE QD 3.000 . 4.100 2.472 2.400 2.544 . 0 0 "[ . 1 . 2]" 1
51 2 82 PHE QD 2 86 LEU QD 2.800 . 3.800 3.522 3.133 3.798 . 0 0 "[ . 1 . 2]" 1
52 2 68 VAL QG 2 82 PHE QD 3.500 . 5.000 3.312 2.751 3.717 . 0 0 "[ . 1 . 2]" 1
53 2 79 LEU HA 2 82 PHE QD 3.800 . 5.600 4.044 3.735 4.515 . 0 0 "[ . 1 . 2]" 1
54 2 85 PHE HB2 2 85 PHE QD 2.700 . 3.600 2.392 2.258 2.488 . 0 0 "[ . 1 . 2]" 1
55 2 34 PHE HB3 2 34 PHE QD 3.000 . 4.100 2.330 2.262 2.500 . 0 0 "[ . 1 . 2]" 1
56 2 38 LEU QD 2 82 PHE HZ 3.300 . 4.700 2.718 2.079 3.822 . 0 0 "[ . 1 . 2]" 1
57 2 39 HIS HA 2 39 HIS HD2 3.200 . 4.500 3.334 2.640 4.362 . 0 0 "[ . 1 . 2]" 1
58 2 39 HIS QB 2 39 HIS HD2 3.400 . 4.900 2.828 2.708 3.037 . 0 0 "[ . 1 . 2]" 1
59 2 65 TYR HB2 2 82 PHE QD 4.300 . 6.000 4.425 3.870 4.941 . 0 0 "[ . 1 . 2]" 1
60 2 68 VAL QG 2 82 PHE QE 4.000 . 4.900 3.219 2.758 3.680 . 0 0 "[ . 1 . 2]" 1
61 2 12 HIS HA 2 12 HIS HD2 2.700 . 3.600 2.877 2.161 3.540 . 0 0 "[ . 1 . 2]" 1
62 2 12 HIS QB 2 12 HIS HD2 3.400 . 4.800 3.110 2.838 3.300 . 0 0 "[ . 1 . 2]" 1
63 2 41 TYR QE 2 60 THR HA 3.400 . 4.800 2.334 2.021 2.778 . 0 0 "[ . 1 . 2]" 1
64 2 16 TYR QE 2 78 LEU HA 2.600 . 3.400 3.238 2.898 3.477 0.077 17 0 "[ . 1 . 2]" 1
65 2 65 TYR QE 2 83 GLY HA2 3.100 . 4.300 3.230 1.844 4.133 0.056 2 0 "[ . 1 . 2]" 1
66 2 34 PHE HB2 2 34 PHE QD 2.900 . 4.000 2.460 2.302 2.628 . 0 0 "[ . 1 . 2]" 1
67 2 48 ALA HA 2 55 TYR QE 4.000 . 6.000 3.828 3.102 4.436 . 0 0 "[ . 1 . 2]" 1
68 2 44 GLU HA 2 55 TYR QE 3.100 . 4.300 3.746 2.971 4.171 . 0 0 "[ . 1 . 2]" 1
69 2 68 VAL QG 2 72 PHE QE . . 4.100 2.038 1.975 2.275 0.025 16 0 "[ . 1 . 2]" 1
70 2 65 TYR HB3 2 65 TYR QE 4.300 . 6.000 4.434 4.386 4.516 . 0 0 "[ . 1 . 2]" 1
71 2 65 TYR QE 2 79 LEU HG 3.600 . 5.200 2.955 2.283 5.240 0.040 1 0 "[ . 1 . 2]" 1
72 2 16 TYR QE 2 78 LEU HB3 4.000 . 6.000 3.811 3.221 4.238 . 0 0 "[ . 1 . 2]" 1
73 2 21 LYS QE 2 31 TYR QE 3.600 . 5.200 4.697 3.326 5.191 . 0 0 "[ . 1 . 2]" 1
74 2 72 PHE QD 2 78 LEU QD 3.500 . 5.000 3.044 2.427 3.419 . 0 0 "[ . 1 . 2]" 1
75 2 41 TYR QD 2 59 LEU QD 2.700 . 3.600 3.237 2.095 3.519 . 0 0 "[ . 1 . 2]" 1
76 2 13 ALA HA 2 85 PHE HZ 3.500 . 5.100 2.964 2.059 4.436 . 0 0 "[ . 1 . 2]" 1
77 2 12 HIS QB 2 85 PHE HZ 3.700 . 5.400 2.927 2.024 4.780 . 0 0 "[ . 1 . 2]" 1
78 2 68 VAL QG 2 82 PHE HZ 4.000 . 6.000 3.667 3.368 4.182 . 0 0 "[ . 1 . 2]" 1
79 2 72 PHE QD 2 78 LEU HB2 3.500 . 5.100 3.930 3.039 5.116 0.016 18 0 "[ . 1 . 2]" 1
80 2 20 ILE MG 2 24 PHE HZ 3.700 . 5.500 5.118 4.520 5.508 0.008 20 0 "[ . 1 . 2]" 1
81 2 72 PHE QE 2 78 LEU QD 3.500 . 5.000 2.708 2.505 3.270 . 0 0 "[ . 1 . 2]" 1
82 2 30 ILE HB 2 30 ILE MG 2.200 . 2.800 1.978 1.964 1.985 . 0 0 "[ . 1 . 2]" 1
83 2 30 ILE MG 2 71 LEU HB2 4.300 . 6.000 4.498 3.843 5.053 . 0 0 "[ . 1 . 2]" 1
84 2 30 ILE MG 2 71 LEU MD2 2.300 . 3.000 2.256 1.990 2.655 . 0 0 "[ . 1 . 2]" 1
85 2 30 ILE MD 2 30 ILE MG 2.200 . 2.800 1.945 1.887 2.013 . 0 0 "[ . 1 . 2]" 1
86 2 34 PHE HA 2 37 ILE MD 2.500 . 3.300 2.231 1.993 2.493 . 0 0 "[ . 1 . 2]" 1
87 2 37 ILE HA 2 37 ILE MD 3.500 . 5.000 3.862 3.833 3.880 . 0 0 "[ . 1 . 2]" 1
88 2 37 ILE MD 2 68 VAL HA 2.800 . 3.800 3.293 3.087 3.588 . 0 0 "[ . 1 . 2]" 1
89 2 37 ILE HB 2 37 ILE MD 2.100 . 2.700 1.981 1.978 1.988 . 0 0 "[ . 1 . 2]" 1
90 2 37 ILE MD 2 67 GLN HG2 3.300 . 4.700 4.166 4.010 4.377 . 0 0 "[ . 1 . 2]" 1
91 2 37 ILE MD 2 67 GLN HB2 2.400 . 3.100 2.055 1.958 2.187 . 0 0 "[ . 1 . 2]" 1
92 2 37 ILE MD 2 37 ILE HG12 2.300 . 3.000 2.118 2.116 2.119 . 0 0 "[ . 1 . 2]" 1
93 2 37 ILE MD 2 68 VAL QG 2.800 . 3.800 2.322 2.116 2.499 . 0 0 "[ . 1 . 2]" 1
94 2 34 PHE QD 2 37 ILE MD 3.400 . 4.900 3.220 2.797 3.938 . 0 0 "[ . 1 . 2]" 1
95 2 3 GLN HA 2 3 GLN QG 2.800 . 3.800 2.726 2.360 3.451 . 0 0 "[ . 1 . 2]" 1
96 2 83 GLY HA3 2 86 LEU QD 3.000 . 4.100 3.711 3.143 4.127 0.027 6 0 "[ . 1 . 2]" 1
97 2 83 GLY HA2 2 86 LEU QD 3.200 . 4.100 2.577 1.898 3.068 0.002 2 0 "[ . 1 . 2]" 1
98 2 16 TYR QE 2 20 ILE MD 2.500 . 3.300 2.685 2.066 2.929 . 0 0 "[ . 1 . 2]" 1
99 2 20 ILE MD 2 20 ILE MG 2.300 . 3.000 1.957 1.848 2.020 . 0 0 "[ . 1 . 2]" 1
100 2 20 ILE HB 2 20 ILE MD 2.800 . 3.800 2.583 2.370 3.232 . 0 0 "[ . 1 . 2]" 1
101 2 20 ILE HA 2 20 ILE MD 3.700 . 5.400 3.479 2.017 3.866 . 0 0 "[ . 1 . 2]" 1
102 2 37 ILE MG 2 59 LEU HB3 2.900 . 4.000 4.194 4.013 4.928 0.928 18 4 "[ . 1- . +**]" 1
103 2 59 LEU HB2 2 59 LEU QD 2.500 . 3.300 2.136 2.051 2.387 . 0 0 "[ . 1 . 2]" 1
104 2 59 LEU HA 2 59 LEU HB2 2.700 . 3.600 2.935 2.599 3.016 . 0 0 "[ . 1 . 2]" 1
105 2 59 LEU HA 2 59 LEU HB3 2.900 . 3.900 2.459 2.247 2.565 . 0 0 "[ . 1 . 2]" 1
106 2 30 ILE MD 2 72 PHE QD 3.800 . 5.600 3.495 2.795 4.074 . 0 0 "[ . 1 . 2]" 1
107 2 30 ILE MD 2 72 PHE QE 2.900 . 4.000 3.877 3.523 4.022 0.022 17 0 "[ . 1 . 2]" 1
108 2 24 PHE QE 2 30 ILE MD 3.000 . 4.100 3.376 2.051 4.112 0.012 2 0 "[ . 1 . 2]" 1
109 2 24 PHE QD 2 30 ILE MD 3.300 . 4.700 3.258 2.469 3.969 . 0 0 "[ . 1 . 2]" 1
110 2 30 ILE MD 2 30 ILE QG 2.200 . 2.800 1.887 1.886 1.888 . 0 0 "[ . 1 . 2]" 1
111 2 30 ILE HB 2 30 ILE MD 2.000 . 2.500 1.829 1.821 1.874 . 0 0 "[ . 1 . 2]" 1
112 2 27 GLN HB2 2 30 ILE MD 3.100 . 4.300 3.789 3.028 4.724 0.424 2 0 "[ . 1 . 2]" 1
113 2 27 GLN HB3 2 30 ILE MD 2.500 . 3.300 2.501 1.882 3.030 . 0 0 "[ . 1 . 2]" 1
114 2 27 GLN HG3 2 30 ILE MD 3.000 . 4.100 3.401 2.591 4.553 0.453 13 0 "[ . 1 . 2]" 1
115 2 30 ILE MD 2 72 PHE HA 3.600 . 5.200 3.799 2.631 4.460 . 0 0 "[ . 1 . 2]" 1
116 2 70 ARG QD 2 70 ARG HG2 2.200 . 2.800 2.301 2.171 2.361 . 0 0 "[ . 1 . 2]" 1
117 2 70 ARG QB 2 70 ARG HD3 2.000 . 2.500 2.136 2.005 2.305 . 0 0 "[ . 1 . 2]" 1
118 2 67 GLN HA 2 70 ARG QD 3.100 . 4.300 3.927 3.029 4.319 0.019 17 0 "[ . 1 . 2]" 1
119 2 70 ARG HA 2 70 ARG QD 3.300 . 4.700 4.047 2.773 4.277 . 0 0 "[ . 1 . 2]" 1
120 2 46 ARG QD 2 46 ARG HG2 2.200 . 2.800 2.350 2.169 2.385 . 0 0 "[ . 1 . 2]" 1
121 2 46 ARG QD 2 46 ARG HG3 2.300 . 2.900 2.279 2.168 2.382 . 0 0 "[ . 1 . 2]" 1
122 2 46 ARG QB 2 46 ARG QD 2.200 . 2.800 2.195 2.109 2.361 . 0 0 "[ . 1 . 2]" 1
123 2 43 LYS HA 2 46 ARG QD 2.900 . 3.900 3.047 2.377 3.679 . 0 0 "[ . 1 . 2]" 1
124 2 46 ARG HA 2 46 ARG QD 3.200 . 4.500 4.080 3.916 4.490 . 0 0 "[ . 1 . 2]" 1
125 2 2 LEU QB 2 2 LEU MD2 2.400 . 3.100 2.239 2.070 2.426 . 0 0 "[ . 1 . 2]" 1
126 2 68 VAL HA 2 71 LEU HB3 3.700 . 5.400 2.667 2.214 3.744 . 0 0 "[ . 1 . 2]" 1
127 2 71 LEU HB3 2 71 LEU MD2 2.600 . 3.500 2.231 2.188 2.265 . 0 0 "[ . 1 . 2]" 1
128 2 79 LEU HB3 2 79 LEU QD 3.300 . 3.500 2.279 2.080 2.416 . 0 0 "[ . 1 . 2]" 1
129 2 79 LEU HB2 2 79 LEU QD 2.700 . 3.100 2.147 2.056 2.358 . 0 0 "[ . 1 . 2]" 1
130 2 76 GLU HA 2 79 LEU HB3 3.900 . 5.800 3.610 2.833 4.639 . 0 0 "[ . 1 . 2]" 1
131 2 73 LYS QE 2 73 LYS QG 2.400 . 3.100 2.336 2.139 2.796 . 0 0 "[ . 1 . 2]" 1
132 2 73 LYS QD 2 73 LYS QE 2.300 . 2.900 2.024 1.996 2.091 . 0 0 "[ . 1 . 2]" 1
133 2 73 LYS QB 2 73 LYS QE 3.300 . 4.600 3.386 1.962 3.859 0.038 16 0 "[ . 1 . 2]" 1
134 2 73 LYS HA 2 73 LYS QE 3.700 . 5.500 4.607 3.830 5.103 . 0 0 "[ . 1 . 2]" 1
135 2 37 ILE MD 2 67 GLN HG3 3.700 . 5.400 3.978 3.334 4.291 . 0 0 "[ . 1 . 2]" 1
136 2 19 LYS HE3 2 20 ILE QG 3.200 . 4.500 3.873 2.567 4.453 . 0 0 "[ . 1 . 2]" 1
137 2 19 LYS HE2 2 20 ILE QG 3.300 . 4.700 3.873 2.918 4.397 . 0 0 "[ . 1 . 2]" 1
138 2 19 LYS HE2 2 19 LYS HG2 3.300 . 4.700 3.312 2.318 4.204 . 0 0 "[ . 1 . 2]" 1
139 2 19 LYS HE3 2 19 LYS HG2 3.600 . 5.200 3.004 2.248 4.239 . 0 0 "[ . 1 . 2]" 1
140 2 19 LYS QB 2 19 LYS HE3 2.800 . 3.700 3.050 1.923 4.056 0.356 1 0 "[ . 1 . 2]" 1
141 2 19 LYS QB 2 19 LYS HE2 3.000 . 4.100 3.212 1.904 4.164 0.064 12 0 "[ . 1 . 2]" 1
142 2 19 LYS QD 2 19 LYS HE2 2.500 . 3.300 2.261 2.166 2.380 . 0 0 "[ . 1 . 2]" 1
143 2 21 LYS QE 2 21 LYS HG2 3.000 . 4.100 3.274 2.801 3.525 . 0 0 "[ . 1 . 2]" 1
144 2 21 LYS QE 2 21 LYS HG3 2.900 . 3.900 2.692 2.313 3.527 . 0 0 "[ . 1 . 2]" 1
145 2 21 LYS HB2 2 21 LYS QE 2.700 . 3.600 2.947 2.049 3.619 0.019 11 0 "[ . 1 . 2]" 1
146 2 78 LEU HB3 2 78 LEU QD 3.100 . 4.300 2.208 2.120 2.488 . 0 0 "[ . 1 . 2]" 1
147 2 71 LEU HB3 2 71 LEU MD1 2.500 . 3.300 3.175 3.153 3.189 . 0 0 "[ . 1 . 2]" 1
148 2 86 LEU HB3 2 86 LEU QD 2.500 . 3.300 2.154 2.091 2.353 . 0 0 "[ . 1 . 2]" 1
149 2 86 LEU HB2 2 86 LEU QD 2.600 . 3.100 2.211 2.091 2.269 . 0 0 "[ . 1 . 2]" 1
150 2 78 LEU HB2 2 78 LEU QD 3.300 . 3.400 2.096 2.034 2.272 . 0 0 "[ . 1 . 2]" 1
151 2 23 ARG QD 2 23 ARG HG3 3.100 . 4.300 2.298 2.169 2.420 . 0 0 "[ . 1 . 2]" 1
152 2 38 LEU HB3 2 38 LEU QD . . 3.000 2.232 2.084 2.353 . 0 0 "[ . 1 . 2]" 1
153 2 38 LEU HB2 2 38 LEU QD 3.100 . 4.300 2.217 2.098 2.509 . 0 0 "[ . 1 . 2]" 1
154 2 5 ASN HA 2 5 ASN HB3 2.300 . 3.000 2.686 2.375 3.024 0.024 16 0 "[ . 1 . 2]" 1
155 2 5 ASN HA 2 5 ASN HB2 2.100 . 2.700 2.754 2.437 3.024 0.324 9 0 "[ . 1 . 2]" 1
156 2 22 ASN HA 2 22 ASN HB3 2.400 . 3.100 3.006 2.626 3.029 . 0 0 "[ . 1 . 2]" 1
157 2 19 LYS HA 2 22 ASN HB3 2.900 . 3.900 3.200 2.432 4.534 0.634 4 1 "[ +. 1 . 2]" 1
158 2 74 ASN HA 2 74 ASN HB3 2.800 . 3.800 2.585 2.407 3.028 . 0 0 "[ . 1 . 2]" 1
159 2 74 ASN HA 2 74 ASN HB2 3.000 . 4.100 2.802 2.422 3.026 . 0 0 "[ . 1 . 2]" 1
160 2 56 THR HB 2 56 THR MG 2.200 . 2.800 2.135 2.134 2.136 . 0 0 "[ . 1 . 2]" 1
161 2 34 PHE HB2 2 71 LEU MD2 3.100 . 4.300 1.999 1.893 2.201 0.007 17 0 "[ . 1 . 2]" 1
162 2 51 ALA MB 2 54 ASN QB 3.800 . 5.600 4.449 3.813 5.346 . 0 0 "[ . 1 . 2]" 1
163 2 37 ILE HB 2 37 ILE MD 2.300 . 3.000 2.380 2.366 2.405 . 0 0 "[ . 1 . 2]" 1
164 2 40 THR HA 2 43 LYS QE 3.300 . 4.600 3.291 2.242 4.578 . 0 0 "[ . 1 . 2]" 1
165 2 49 LYS QE 2 49 LYS HG2 2.800 . 3.800 2.676 2.330 3.518 . 0 0 "[ . 1 . 2]" 1
166 2 43 LYS QE 2 43 LYS HG3 2.800 . 3.800 3.150 2.341 3.521 . 0 0 "[ . 1 . 2]" 1
167 2 44 GLU HA 2 47 ASN HB3 3.000 . 4.100 3.832 2.773 4.640 0.540 8 1 "[ . + 1 . 2]" 1
168 2 30 ILE HB 2 30 ILE MD 2.900 . 3.900 2.475 2.394 3.237 . 0 0 "[ . 1 . 2]" 1
169 2 30 ILE HB 2 30 ILE QG 3.200 . 4.500 2.349 2.187 2.384 . 0 0 "[ . 1 . 2]" 1
170 2 27 GLN HB3 2 30 ILE HB 3.800 . 5.600 2.690 2.191 3.385 . 0 0 "[ . 1 . 2]" 1
171 2 61 GLU HG3 2 86 LEU QD 3.700 . 5.400 3.668 2.049 4.379 . 0 0 "[ . 1 . 2]" 1
172 2 61 GLU HG2 2 86 LEU QD 3.400 . 4.900 3.211 2.135 4.708 . 0 0 "[ . 1 . 2]" 1
173 2 61 GLU HB2 2 61 GLU HG3 2.800 . 3.700 2.536 2.419 3.010 . 0 0 "[ . 1 . 2]" 1
174 2 61 GLU HB2 2 61 GLU HG2 2.800 . 3.800 2.932 2.470 3.011 . 0 0 "[ . 1 . 2]" 1
175 2 44 GLU HA 2 44 GLU HG3 3.100 . 4.300 3.647 3.127 3.768 . 0 0 "[ . 1 . 2]" 1
176 2 44 GLU HG3 2 59 LEU QD 3.300 . 4.600 3.057 2.034 4.735 0.135 10 0 "[ . 1 . 2]" 1
177 2 17 VAL HA 2 20 ILE MG 3.400 . 4.800 4.312 3.639 4.812 0.012 12 0 "[ . 1 . 2]" 1
178 2 17 VAL HA 2 17 VAL QG 2.800 . 3.400 2.133 2.100 2.363 . 0 0 "[ . 1 . 2]" 1
179 2 17 VAL HA 2 20 ILE HB 3.500 . 5.000 2.984 2.365 3.506 . 0 0 "[ . 1 . 2]" 1
180 2 31 TYR QB 2 31 TYR QD 3.000 . 4.100 2.158 2.137 2.198 . 0 0 "[ . 1 . 2]" 1
181 2 44 GLU HA 2 47 ASN HB2 3.300 . 4.700 3.145 2.473 3.982 . 0 0 "[ . 1 . 2]" 1
182 2 40 THR HB 2 59 LEU QD 3.000 . 3.600 2.484 2.028 2.796 . 0 0 "[ . 1 . 2]" 1
183 2 63 GLU HA 2 63 GLU QG 2.500 . 3.300 2.807 2.645 2.982 . 0 0 "[ . 1 . 2]" 1
184 2 59 LEU QD 2 63 GLU QG 2.500 . 3.300 2.450 1.711 2.894 . 0 0 "[ . 1 . 2]" 1
185 2 50 GLU HB2 2 50 GLU QG 2.100 . 2.600 2.181 2.159 2.396 . 0 0 "[ . 1 . 2]" 1
186 2 50 GLU HA 2 50 GLU QG 2.500 . 3.300 2.883 2.361 3.252 . 0 0 "[ . 1 . 2]" 1
187 2 44 GLU HG3 2 58 ALA MB 3.200 . 4.500 2.542 1.881 4.500 0.019 15 0 "[ . 1 . 2]" 1
188 2 40 THR HA 2 43 LYS QD 3.800 . 5.600 3.958 2.667 5.284 . 0 0 "[ . 1 . 2]" 1
189 2 40 THR HA 2 43 LYS HB2 3.300 . 4.700 3.239 2.495 3.819 . 0 0 "[ . 1 . 2]" 1
190 2 40 THR HA 2 43 LYS HB3 3.000 . 4.200 2.780 2.228 3.057 . 0 0 "[ . 1 . 2]" 1
191 2 59 LEU QD 2 64 VAL HA 3.000 . 4.200 3.667 3.171 4.043 . 0 0 "[ . 1 . 2]" 1
192 2 64 VAL HA 2 64 VAL HB 3.000 . 4.100 3.019 2.997 3.025 . 0 0 "[ . 1 . 2]" 1
193 2 68 VAL HA 2 71 LEU HB2 3.000 . 4.100 2.151 1.898 2.395 0.002 13 0 "[ . 1 . 2]" 1
194 2 66 ALA MB 2 67 GLN HG3 3.600 . 5.200 3.309 3.003 4.573 . 0 0 "[ . 1 . 2]" 1
195 2 67 GLN HB2 2 67 GLN HG3 2.500 . 3.300 2.428 2.361 2.465 . 0 0 "[ . 1 . 2]" 1
196 2 67 GLN HB3 2 67 GLN HG3 2.900 . 3.900 2.931 2.458 3.011 . 0 0 "[ . 1 . 2]" 1
197 2 67 GLN HA 2 67 GLN HG3 3.100 . 4.300 3.192 3.010 3.802 . 0 0 "[ . 1 . 2]" 1
198 2 67 GLN HA 2 67 GLN HG2 2.600 . 3.400 2.617 2.451 3.134 . 0 0 "[ . 1 . 2]" 1
199 2 27 GLN HG3 2 30 ILE HB 3.000 . 4.100 3.416 2.189 4.682 0.582 8 1 "[ . + 1 . 2]" 1
200 2 42 GLN HA 2 42 GLN HG3 2.700 . 3.600 2.923 2.572 3.664 0.064 17 0 "[ . 1 . 2]" 1
201 2 25 GLN HA 2 25 GLN QG 2.600 . 3.400 2.678 2.349 3.435 0.035 19 0 "[ . 1 . 2]" 1
202 2 27 GLN HG2 2 30 ILE MD 3.500 . 5.000 2.967 1.888 4.328 0.112 17 0 "[ . 1 . 2]" 1
203 2 27 GLN HA 2 27 GLN HG3 2.900 . 3.900 2.955 2.226 3.766 . 0 0 "[ . 1 . 2]" 1
204 2 27 GLN HA 2 27 GLN HG2 3.100 . 4.300 3.441 2.481 3.774 . 0 0 "[ . 1 . 2]" 1
205 2 28 PRO HA 2 28 PRO HB3 2.600 . 3.400 2.313 2.285 2.323 . 0 0 "[ . 1 . 2]" 1
206 2 37 ILE HA 2 37 ILE MG 2.400 . 3.100 2.403 2.347 2.474 . 0 0 "[ . 1 . 2]" 1
207 2 37 ILE HA 2 37 ILE HG12 3.000 . 4.100 2.596 2.529 2.636 . 0 0 "[ . 1 . 2]" 1
208 2 37 ILE HA 2 37 ILE HB 2.800 . 3.800 2.662 2.629 2.689 . 0 0 "[ . 1 . 2]" 1
209 2 37 ILE HA 2 40 THR HB 3.000 . 4.100 3.311 3.056 3.691 . 0 0 "[ . 1 . 2]" 1
210 2 37 ILE HA 2 59 LEU QD 3.100 . 4.300 3.106 2.913 3.344 . 0 0 "[ . 1 . 2]" 1
211 2 20 ILE HA 2 78 LEU QD 3.300 . 4.600 3.857 2.998 4.422 . 0 0 "[ . 1 . 2]" 1
212 2 20 ILE HA 2 20 ILE QG 3.200 . 4.500 2.498 2.366 2.870 . 0 0 "[ . 1 . 2]" 1
213 2 76 GLU HA 2 76 GLU QG 2.400 . 3.100 2.513 2.356 2.969 . 0 0 "[ . 1 . 2]" 1
214 2 42 GLN HA 2 42 GLN HG2 3.200 . 4.400 3.094 2.371 3.762 . 0 0 "[ . 1 . 2]" 1
215 2 44 GLU HA 2 57 PRO HB3 3.500 . 5.000 4.647 4.029 5.013 0.013 17 0 "[ . 1 . 2]" 1
216 2 55 TYR QE 2 57 PRO HB2 4.500 . 6.000 5.104 4.486 5.531 . 0 0 "[ . 1 . 2]" 1
217 2 73 LYS QB 2 73 LYS QG 2.300 . 2.900 2.066 2.000 2.088 . 0 0 "[ . 1 . 2]" 1
218 2 73 LYS HA 2 73 LYS QB 2.200 . 6.000 2.368 2.322 2.418 . 0 0 "[ . 1 . 2]" 1
219 2 61 GLU HA 2 64 VAL HB 2.700 . 3.600 3.218 2.613 3.534 . 0 0 "[ . 1 . 2]" 1
220 2 64 VAL HB 2 64 VAL QG 2.200 . 2.800 1.896 1.893 1.897 . 0 0 "[ . 1 . 2]" 1
221 2 30 ILE HA 2 30 ILE MG 2.700 . 3.600 2.438 2.350 2.498 . 0 0 "[ . 1 . 2]" 1
222 2 30 ILE HA 2 30 ILE QG 3.000 . 4.100 2.380 2.302 2.940 . 0 0 "[ . 1 . 2]" 1
223 2 19 LYS HB3 2 20 ILE QG 3.200 . 4.500 4.065 2.845 5.163 0.663 10 5 "[ *** + -. 2]" 1
224 2 18 ASN HA 2 21 LYS HB3 3.000 . 4.200 2.925 2.322 4.016 . 0 0 "[ . 1 . 2]" 1
225 2 87 PRO HA 2 87 PRO HB2 2.600 . 3.400 2.948 2.714 2.997 . 0 0 "[ . 1 . 2]" 1
226 2 55 TYR QD 2 57 PRO HA 4.000 . 6.000 3.613 3.148 4.438 . 0 0 "[ . 1 . 2]" 1
227 2 57 PRO HA 2 58 ALA MB 4.200 . 6.000 4.009 3.949 4.066 . 0 0 "[ . 1 . 2]" 1
228 2 48 ALA MB 2 57 PRO HA 3.400 . 4.900 3.609 2.577 4.254 . 0 0 "[ . 1 . 2]" 1
229 2 65 TYR HA 2 68 VAL HB 2.900 . 3.900 2.631 2.433 2.847 . 0 0 "[ . 1 . 2]" 1
230 2 70 ARG HB2 2 70 ARG HD2 2.500 . 3.300 2.370 2.155 2.878 . 0 0 "[ . 1 . 2]" 1
231 2 43 LYS HA 2 46 ARG QB 2.600 . 3.500 3.102 2.820 3.495 . 0 0 "[ . 1 . 2]" 1
232 2 32 LYS HA 2 32 LYS QB 2.300 . 3.000 2.365 2.309 2.497 . 0 0 "[ . 1 . 2]" 1
233 2 16 TYR QD 2 19 LYS QD 3.500 . 5.000 3.566 2.576 4.598 . 0 0 "[ . 1 . 2]" 1
234 2 19 LYS QD 2 20 ILE QG 2.500 . 3.300 2.328 1.851 3.206 . 0 0 "[ . 1 . 2]" 1
235 2 19 LYS QD 2 19 LYS HG2 2.300 . 3.000 2.364 2.161 2.451 . 0 0 "[ . 1 . 2]" 1
236 2 19 LYS QD 2 19 LYS HE3 2.300 . 3.000 2.317 2.171 2.393 . 0 0 "[ . 1 . 2]" 1
237 2 16 TYR HA 2 19 LYS QD 3.300 . 4.700 3.304 2.579 4.457 . 0 0 "[ . 1 . 2]" 1
238 2 59 LEU QD 2 63 GLU HB2 3.000 . 4.200 4.119 3.670 4.235 0.035 12 0 "[ . 1 . 2]" 1
239 2 63 GLU HA 2 63 GLU HB2 2.900 . 4.000 2.579 2.489 2.631 . 0 0 "[ . 1 . 2]" 1
240 2 63 GLU HA 2 63 GLU HB3 2.400 . 3.100 3.008 2.993 3.025 . 0 0 "[ . 1 . 2]" 1
241 2 50 GLU HA 2 50 GLU HB2 2.800 . 3.800 2.979 2.251 3.024 . 0 0 "[ . 1 . 2]" 1
242 2 57 PRO HA 2 57 PRO HB3 2.100 . 2.700 2.296 2.280 2.305 . 0 0 "[ . 1 . 2]" 1
243 2 65 TYR HA 2 68 VAL QG 3.600 . 5.300 3.119 2.919 3.291 . 0 0 "[ . 1 . 2]" 1
244 2 65 TYR HA 2 65 TYR HB2 3.000 . 4.100 2.554 2.466 2.676 . 0 0 "[ . 1 . 2]" 1
245 2 41 TYR HA 2 59 LEU QD 2.700 . 3.600 2.978 1.903 3.475 . 0 0 "[ . 1 . 2]" 1
246 2 41 TYR HA 2 59 LEU HB3 3.600 . 5.200 4.324 3.565 6.145 0.945 18 4 "[ . 1* . +*-]" 1
247 2 41 TYR HA 2 59 LEU HB2 3.500 . 5.000 2.927 2.266 4.207 . 0 0 "[ . 1 . 2]" 1
248 2 41 TYR HA 2 41 TYR HB2 3.000 . 4.100 2.476 2.418 2.520 . 0 0 "[ . 1 . 2]" 1
249 2 80 SER HA 2 80 SER QB 2.100 . 2.700 2.333 2.192 2.381 . 0 0 "[ . 1 . 2]" 1
250 2 61 GLU HA 2 64 VAL QG 3.400 . 4.800 3.509 3.045 3.788 . 0 0 "[ . 1 . 2]" 1
251 2 61 GLU HA 2 61 GLU HG2 2.800 . 3.800 3.101 2.538 3.842 0.042 11 0 "[ . 1 . 2]" 1
252 2 61 GLU HA 2 61 GLU HG3 3.200 . 4.500 3.194 2.449 3.804 . 0 0 "[ . 1 . 2]" 1
253 2 34 PHE HA 2 34 PHE QD 3.000 . 4.100 2.738 2.402 3.137 . 0 0 "[ . 1 . 2]" 1
254 2 34 PHE HA 2 37 ILE HB 3.300 . 4.600 3.133 3.013 3.351 . 0 0 "[ . 1 . 2]" 1
255 2 33 ALA MB 2 34 PHE HA 4.200 . 6.000 3.777 3.751 3.815 . 0 0 "[ . 1 . 2]" 1
256 2 16 TYR HA 2 19 LYS QB 3.400 . 4.800 3.602 2.582 4.568 . 0 0 "[ . 1 . 2]" 1
257 2 16 TYR QE 2 82 PHE HA 4.000 . 6.000 3.953 3.447 4.720 . 0 0 "[ . 1 . 2]" 1
258 2 76 GLU HA 2 79 LEU QD 3.700 . 4.700 2.754 2.273 3.269 . 0 0 "[ . 1 . 2]" 1
259 2 76 GLU HA 2 79 LEU HB2 3.000 . 4.100 2.431 2.076 3.309 . 0 0 "[ . 1 . 2]" 1
260 2 76 GLU HA 2 76 GLU QB 2.200 . 2.800 2.370 2.337 2.423 . 0 0 "[ . 1 . 2]" 1
261 2 19 LYS HA 2 19 LYS QB 2.500 . 3.300 2.242 2.165 2.347 . 0 0 "[ . 1 . 2]" 1
262 2 31 TYR HA 2 31 TYR QE 4.300 . 6.000 4.442 4.322 4.723 . 0 0 "[ . 1 . 2]" 1
263 2 31 TYR HA 2 34 PHE QD 4.200 . 6.000 4.721 4.248 5.154 . 0 0 "[ . 1 . 2]" 1
264 2 20 ILE MG 2 31 TYR HA 3.300 . 4.700 3.470 2.903 3.885 . 0 0 "[ . 1 . 2]" 1
265 2 30 ILE QG 2 30 ILE MG 3.400 . 3.800 2.349 2.305 2.373 . 0 0 "[ . 1 . 2]" 1
266 2 27 GLN HB3 2 30 ILE QG 3.500 . 5.100 3.465 2.274 4.489 . 0 0 "[ . 1 . 2]" 1
267 2 27 GLN HB3 2 30 ILE QG 4.600 . 6.000 2.801 2.001 3.317 . 0 0 "[ . 1 . 2]" 1
268 2 19 LYS HA 2 19 LYS HG3 3.100 . 4.300 3.352 2.729 3.656 . 0 0 "[ . 1 . 2]" 1
269 2 19 LYS HA 2 22 ASN HB2 3.200 . 4.500 4.074 2.962 4.525 0.025 9 0 "[ . 1 . 2]" 1
270 2 32 LYS HA 2 35 LEU QD 2.700 . 3.600 2.552 1.950 3.223 . 0 0 "[ . 1 . 2]" 1
271 2 32 LYS HA 2 32 LYS QG 3.100 . 4.300 2.452 2.351 2.530 . 0 0 "[ . 1 . 2]" 1
272 2 32 LYS HA 2 32 LYS QD 3.900 . 5.800 3.994 2.394 4.278 . 0 0 "[ . 1 . 2]" 1
273 2 63 GLU HA 2 66 ALA MB 2.400 . 3.100 2.740 2.427 2.954 . 0 0 "[ . 1 . 2]" 1
274 2 63 GLU HA 2 63 GLU HB2 2.300 . 2.900 2.381 2.328 2.398 . 0 0 "[ . 1 . 2]" 1
275 2 56 THR HA 2 56 THR MG 2.600 . 3.400 2.366 2.331 2.399 . 0 0 "[ . 1 . 2]" 1
276 2 56 THR HA 2 57 PRO HG3 4.800 . 6.000 4.311 4.070 4.444 . 0 0 "[ . 1 . 2]" 1
277 2 56 THR HA 2 57 PRO HG2 4.100 . 6.000 4.449 4.423 4.502 . 0 0 "[ . 1 . 2]" 1
278 2 56 THR HA 2 57 PRO QD 2.100 . 2.600 1.996 1.858 2.072 . 0 0 "[ . 1 . 2]" 1
279 2 56 THR HA 2 56 THR HB 2.700 . 3.600 3.024 3.021 3.026 . 0 0 "[ . 1 . 2]" 1
280 2 59 LEU QD 2 63 GLU HA 4.300 . 6.000 4.895 4.566 5.211 . 0 0 "[ . 1 . 2]" 1
281 2 85 PHE HA 2 85 PHE QD 3.100 . 4.300 2.922 2.017 3.095 . 0 0 "[ . 1 . 2]" 1
282 2 55 TYR HA 2 55 TYR QE 4.400 . 6.000 4.621 4.543 4.691 . 0 0 "[ . 1 . 2]" 1
283 2 55 TYR HA 2 55 TYR HB2 2.500 . 3.300 2.491 2.457 2.526 . 0 0 "[ . 1 . 2]" 1
284 2 55 TYR HA 2 55 TYR HB3 2.600 . 3.500 3.025 3.021 3.027 . 0 0 "[ . 1 . 2]" 1
285 2 72 PHE QD 2 79 LEU HA 3.900 . 5.800 4.701 3.707 5.019 . 0 0 "[ . 1 . 2]" 1
286 2 79 LEU HA 2 79 LEU QD 2.800 . 3.800 2.012 1.902 2.199 . 0 0 "[ . 1 . 2]" 1
287 2 36 GLU HA 2 39 HIS QB 2.400 . 3.100 2.426 2.298 2.635 . 0 0 "[ . 1 . 2]" 1
288 2 39 HIS HA 2 42 GLN QB 2.900 . 4.000 3.056 2.728 3.644 . 0 0 "[ . 1 . 2]" 1
289 2 39 HIS HA 2 39 HIS QB 2.600 . 3.500 2.361 2.337 2.383 . 0 0 "[ . 1 . 2]" 1
290 2 43 LYS HG2 2 44 GLU HA 3.600 . 5.200 3.870 3.642 5.208 0.008 10 0 "[ . 1 . 2]" 1
291 2 44 GLU HA 2 44 GLU QB 2.300 . 3.000 2.364 2.173 2.417 . 0 0 "[ . 1 . 2]" 1
292 2 67 GLN HA 2 67 GLN HB2 2.900 . 3.900 3.023 3.019 3.026 . 0 0 "[ . 1 . 2]" 1
293 2 37 ILE MD 2 67 GLN HA 3.800 . 5.600 4.142 4.000 4.319 . 0 0 "[ . 1 . 2]" 1
294 2 43 LYS HA 2 43 LYS HB2 2.100 . 2.600 2.489 2.461 2.549 . 0 0 "[ . 1 . 2]" 1
295 2 49 LYS HA 2 49 LYS QB 2.100 . 2.600 2.384 2.349 2.487 . 0 0 "[ . 1 . 2]" 1
296 2 49 LYS HA 2 49 LYS QD 3.100 . 4.300 3.618 1.937 4.081 . 0 0 "[ . 1 . 2]" 1
297 2 49 LYS HA 2 49 LYS HG3 2.700 . 3.600 2.750 2.366 3.705 0.105 7 0 "[ . 1 . 2]" 1
298 2 49 LYS HA 2 49 LYS HG2 2.700 . 3.600 3.057 2.361 3.709 0.109 13 0 "[ . 1 . 2]" 1
299 2 38 LEU HA 2 38 LEU QD 2.700 . 3.100 2.214 1.965 2.427 . 0 0 "[ . 1 . 2]" 1
300 2 38 LEU HA 2 38 LEU HB2 3.000 . 4.100 2.521 2.296 2.875 . 0 0 "[ . 1 . 2]" 1
301 2 45 GLN HA 2 48 ALA MB 2.800 . 3.800 2.662 2.451 2.992 . 0 0 "[ . 1 . 2]" 1
302 2 38 LEU HA 2 38 LEU HB3 3.000 . 4.100 2.618 2.432 2.753 . 0 0 "[ . 1 . 2]" 1
303 2 45 GLN HA 2 45 GLN HB3 2.600 . 3.500 2.926 2.527 3.022 . 0 0 "[ . 1 . 2]" 1
304 2 38 LEU HA 2 41 TYR HB3 3.600 . 5.200 2.433 2.108 2.695 . 0 0 "[ . 1 . 2]" 1
305 2 45 GLN HA 2 45 GLN HB2 2.300 . 3.000 2.576 2.410 3.015 0.015 18 0 "[ . 1 . 2]" 1
306 2 35 LEU HA 2 35 LEU QD 2.800 . 3.700 2.090 1.891 2.617 0.009 7 0 "[ . 1 . 2]" 1
307 2 35 LEU HA 2 35 LEU HG 3.500 . 5.000 3.070 2.410 3.717 . 0 0 "[ . 1 . 2]" 1
308 2 35 LEU HA 2 38 LEU HB3 4.400 . 6.000 4.408 3.931 4.877 . 0 0 "[ . 1 . 2]" 1
309 2 71 LEU HA 2 71 LEU MD2 2.700 . 6.000 3.848 3.732 3.912 . 0 0 "[ . 1 . 2]" 1
310 2 71 LEU HA 2 71 LEU HB2 2.800 . 3.800 2.598 2.463 2.907 . 0 0 "[ . 1 . 2]" 1
311 2 71 LEU HA 2 71 LEU HB3 2.900 . 4.000 2.983 2.782 3.021 . 0 0 "[ . 1 . 2]" 1
312 2 84 GLN HA 2 84 GLN HG3 3.000 . 4.100 3.366 3.039 3.790 . 0 0 "[ . 1 . 2]" 1
313 2 18 ASN HA 2 21 LYS HB2 3.100 . 4.300 3.501 2.499 4.247 . 0 0 "[ . 1 . 2]" 1
314 2 78 LEU HA 2 78 LEU HB3 2.700 . 3.600 2.445 2.272 2.538 . 0 0 "[ . 1 . 2]" 1
315 2 29 ASP HA 2 32 LYS QB 2.500 . 3.300 3.043 2.881 3.239 . 0 0 "[ . 1 . 2]" 1
316 2 78 LEU HA 2 81 GLU QB 3.000 . 4.200 2.656 2.327 3.139 . 0 0 "[ . 1 . 2]" 1
317 2 29 ASP HA 2 29 ASP HB2 2.400 . 3.100 2.798 2.419 3.027 . 0 0 "[ . 1 . 2]" 1
318 2 29 ASP HA 2 29 ASP HB3 2.300 . 3.000 2.664 2.396 3.027 0.027 13 0 "[ . 1 . 2]" 1
319 2 18 ASN HA 2 18 ASN HB3 2.400 . 3.100 3.025 3.022 3.028 . 0 0 "[ . 1 . 2]" 1
320 2 29 ASP HA 2 32 LYS QG 3.600 . 5.200 4.780 4.341 4.961 . 0 0 "[ . 1 . 2]" 1
321 2 3 GLN HA 2 3 GLN HB2 2.700 . 3.600 2.722 2.442 3.025 . 0 0 "[ . 1 . 2]" 1
322 2 22 ASN HA 2 25 GLN HB3 3.100 . 4.300 3.878 2.438 4.568 0.268 11 0 "[ . 1 . 2]" 1
323 2 22 ASN HA 2 25 GLN QG 2.900 . 3.900 3.884 3.652 3.932 0.032 11 0 "[ . 1 . 2]" 1
324 2 22 ASN HA 2 22 ASN HB2 2.400 . 3.100 2.492 2.421 2.992 . 0 0 "[ . 1 . 2]" 1
325 2 23 ARG HA 2 23 ARG HG2 3.800 . 5.600 3.465 2.336 3.856 . 0 0 "[ . 1 . 2]" 1
326 2 23 ARG HA 2 23 ARG HG3 3.800 . 5.600 3.219 2.382 3.776 . 0 0 "[ . 1 . 2]" 1
327 2 2 LEU HA 2 2 LEU MD2 2.600 . 3.400 2.883 2.058 3.901 0.501 17 1 "[ . 1 . + 2]" 1
328 2 2 LEU HA 2 2 LEU QB 2.400 . 3.100 2.371 2.150 2.449 . 0 0 "[ . 1 . 2]" 1
329 2 33 ALA HA 2 33 ALA MB 2.200 . 2.800 2.128 2.126 2.131 . 0 0 "[ . 1 . 2]" 1
330 2 33 ALA HA 2 36 GLU QB 2.600 . 3.500 2.548 2.291 2.740 . 0 0 "[ . 1 . 2]" 1
331 2 33 ALA HA 2 36 GLU QG 3.500 . 5.100 3.114 2.649 3.595 . 0 0 "[ . 1 . 2]" 1
332 2 66 ALA HA 2 69 ALA MB 2.600 . 3.400 2.615 2.496 2.805 . 0 0 "[ . 1 . 2]" 1
333 2 66 ALA HA 2 66 ALA MB 2.200 . 2.800 2.128 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
334 2 65 TYR QD 2 66 ALA HA 3.500 . 5.000 4.016 3.561 4.809 . 0 0 "[ . 1 . 2]" 1
335 2 59 LEU HA 2 59 LEU QD 2.500 . 3.100 2.861 2.075 3.250 0.150 19 0 "[ . 1 . 2]" 1
336 2 59 LEU HA 2 59 LEU HB2 2.600 . 3.500 2.434 2.286 2.832 . 0 0 "[ . 1 . 2]" 1
337 2 59 LEU HA 2 63 GLU HB3 3.900 . 5.800 2.764 2.299 3.370 . 0 0 "[ . 1 . 2]" 1
338 2 59 LEU HA 2 63 GLU HB2 3.300 . 4.700 2.209 1.886 2.682 0.014 16 0 "[ . 1 . 2]" 1
339 2 47 ASN HA 2 50 GLU HB2 3.300 . 4.600 2.804 2.281 3.985 . 0 0 "[ . 1 . 2]" 1
340 2 47 ASN HA 2 50 GLU HB3 4.400 . 6.000 4.261 2.437 4.810 . 0 0 "[ . 1 . 2]" 1
341 2 47 ASN HA 2 47 ASN HB2 2.700 . 3.600 2.822 2.474 3.028 . 0 0 "[ . 1 . 2]" 1
342 2 47 ASN HA 2 47 ASN HB3 2.700 . 3.600 2.705 2.464 3.027 . 0 0 "[ . 1 . 2]" 1
343 2 24 PHE HA 2 27 GLN HB3 3.800 . 5.600 4.742 3.212 6.311 0.711 9 1 "[ . +1 . 2]" 1
344 2 12 HIS HA 2 12 HIS QB 3.300 . 4.600 2.442 2.393 2.508 . 0 0 "[ . 1 . 2]" 1
345 2 88 ASP HA 2 88 ASP HB2 2.500 . 3.300 2.740 2.430 3.026 . 0 0 "[ . 1 . 2]" 1
346 2 88 ASP HA 2 88 ASP HB3 2.500 . 3.300 2.693 2.412 3.029 . 0 0 "[ . 1 . 2]" 1
347 2 27 GLN HA 2 27 GLN HB3 2.700 . 3.600 2.609 2.277 2.908 . 0 0 "[ . 1 . 2]" 1
348 2 27 GLN HA 2 28 PRO HD2 2.900 . 3.900 2.132 1.940 2.264 . 0 0 "[ . 1 . 2]" 1
349 2 27 GLN HA 2 28 PRO HD3 2.900 . 4.000 2.556 2.251 2.694 . 0 0 "[ . 1 . 2]" 1
350 2 51 ALA HA 2 51 ALA MB 2.100 . 2.600 2.128 2.125 2.130 . 0 0 "[ . 1 . 2]" 1
351 2 86 LEU HA 2 86 LEU HB3 3.200 . 4.500 2.412 2.347 2.643 . 0 0 "[ . 1 . 2]" 1
352 2 86 LEU HA 2 87 PRO HD3 3.100 . 4.300 2.111 1.992 2.632 . 0 0 "[ . 1 . 2]" 1
353 2 75 GLN HA 2 75 GLN HG2 3.700 . 5.400 3.143 2.437 3.736 . 0 0 "[ . 1 . 2]" 1
354 2 75 GLN HA 2 75 GLN HG3 4.000 . 6.000 3.131 2.360 3.813 . 0 0 "[ . 1 . 2]" 1
355 2 87 PRO HD2 2 87 PRO QG 2.400 . 3.100 2.222 2.184 2.234 . 0 0 "[ . 1 . 2]" 1
356 2 55 TYR QE 2 57 PRO HG2 4.000 . 6.000 5.289 4.553 5.814 . 0 0 "[ . 1 . 2]" 1
357 2 57 PRO HG3 2 60 THR MG 4.100 . 6.000 5.096 4.611 5.862 . 0 0 "[ . 1 . 2]" 1
358 2 48 ALA MB 2 57 PRO HG3 4.000 . 6.000 2.067 1.981 2.306 0.019 19 0 "[ . 1 . 2]" 1
359 2 48 ALA MB 2 57 PRO HG2 2.900 . 3.900 3.346 3.110 3.668 . 0 0 "[ . 1 . 2]" 1
360 2 57 PRO QD 2 57 PRO HG3 2.300 . 3.000 2.236 2.229 2.245 . 0 0 "[ . 1 . 2]" 1
361 2 69 ALA MB 2 79 LEU HG 3.700 . 5.400 3.690 3.051 4.988 . 0 0 "[ . 1 . 2]" 1
362 2 79 LEU HA 2 79 LEU HG 3.300 . 4.600 2.761 2.545 3.381 . 0 0 "[ . 1 . 2]" 1
363 2 46 ARG QB 2 46 ARG HG3 2.200 . 2.500 2.308 2.272 2.343 . 0 0 "[ . 1 . 2]" 1
364 2 46 ARG HA 2 46 ARG HG3 2.900 . 4.000 3.099 2.947 3.674 . 0 0 "[ . 1 . 2]" 1
365 2 46 ARG HA 2 46 ARG HG2 2.600 . 3.500 2.597 2.407 3.799 0.299 10 0 "[ . 1 . 2]" 1
366 2 43 LYS HA 2 46 ARG HG3 3.500 . 5.000 3.717 3.268 4.344 . 0 0 "[ . 1 . 2]" 1
367 2 70 ARG HA 2 70 ARG HG3 2.600 . 3.400 2.731 2.364 3.178 . 0 0 "[ . 1 . 2]" 1
368 2 70 ARG QD 2 70 ARG HG3 2.500 . 3.300 2.314 2.174 2.374 . 0 0 "[ . 1 . 2]" 1
369 2 59 LEU HA 2 59 LEU HG 3.200 . 4.500 2.789 2.368 3.698 . 0 0 "[ . 1 . 2]" 1
370 2 2 LEU HA 2 2 LEU HG 3.200 . 4.500 3.438 2.416 4.270 . 0 0 "[ . 1 . 2]" 1
371 2 25 GLN HB2 2 25 GLN QG 2.000 . 2.500 2.329 2.156 2.412 . 0 0 "[ . 1 . 2]" 1
372 2 25 GLN HA 2 25 GLN HB3 2.600 . 3.400 2.899 2.383 3.025 . 0 0 "[ . 1 . 2]" 1
373 2 49 LYS QD 2 49 LYS HG2 1.900 . 2.300 2.340 2.174 2.382 0.082 18 0 "[ . 1 . 2]" 1
374 2 49 LYS QD 2 49 LYS HG3 1.900 . 2.400 2.329 2.175 2.372 . 0 0 "[ . 1 . 2]" 1
375 2 29 ASP HA 2 32 LYS QD 3.300 . 4.700 3.852 3.090 4.707 0.007 15 0 "[ . 1 . 2]" 1
376 2 37 ILE HA 2 37 ILE HG13 3.400 . 4.800 2.955 2.889 3.013 . 0 0 "[ . 1 . 2]" 1
377 2 73 LYS HA 2 73 LYS QD 3.000 . 4.100 3.559 1.973 4.013 . 0 0 "[ . 1 . 2]" 1
378 2 73 LYS QD 2 73 LYS QG 1.900 . 2.400 2.076 2.010 2.092 . 0 0 "[ . 1 . 2]" 1
379 2 21 LYS QD 2 21 LYS HG2 2.600 . 3.400 2.214 2.145 2.398 . 0 0 "[ . 1 . 2]" 1
380 2 61 GLU HA 2 61 GLU HB3 3.000 . 4.100 2.458 2.365 2.570 . 0 0 "[ . 1 . 2]" 1
381 2 61 GLU HA 2 61 GLU HB2 2.700 . 3.600 2.857 2.342 3.026 . 0 0 "[ . 1 . 2]" 1
382 2 61 GLU HB3 2 86 LEU QD . . 3.000 2.440 1.979 3.719 0.719 7 2 "[ . + 1- . 2]" 1
383 2 42 GLN HA 2 42 GLN QB 2.900 . 3.900 2.380 2.338 2.505 . 0 0 "[ . 1 . 2]" 1
384 2 30 ILE MG 2 71 LEU HG 3.300 . 4.600 2.011 1.944 2.449 0.056 9 0 "[ . 1 . 2]" 1
385 2 38 LEU QD 2 38 LEU HG 2.200 . 2.800 1.894 1.891 1.896 . 0 0 "[ . 1 . 2]" 1
386 2 71 LEU HB2 2 71 LEU HG 2.300 . 3.000 3.005 2.991 3.015 0.015 5 0 "[ . 1 . 2]" 1
387 2 32 LYS QB 2 32 LYS QG 2.300 . 2.800 2.082 1.998 2.088 . 0 0 "[ . 1 . 2]" 1
388 2 32 LYS QD 2 32 LYS QG 2.000 . 2.500 2.061 2.009 2.093 . 0 0 "[ . 1 . 2]" 1
389 2 19 LYS HA 2 19 LYS HG2 3.000 . 4.100 3.536 2.549 4.193 0.093 15 0 "[ . 1 . 2]" 1
390 2 68 VAL QG 2 79 LEU QD 3.500 . 4.000 1.899 1.876 1.955 0.024 20 0 "[ . 1 . 2]" 1
391 2 69 ALA HA 2 79 LEU QD 2.400 . 2.700 1.652 1.539 1.824 0.161 3 0 "[ . 1 . 2]" 1
392 2 59 LEU QD 2 63 GLU HB3 2.400 . 3.100 3.163 3.119 3.205 0.105 18 0 "[ . 1 . 2]" 1
393 2 59 LEU MD1 2 63 GLU HB2 2.200 . 2.800 2.442 1.711 2.873 0.073 11 0 "[ . 1 . 2]" 1
394 2 41 TYR HB2 2 59 LEU QD 2.600 . 3.400 3.042 2.144 3.427 0.027 8 0 "[ . 1 . 2]" 1
395 2 41 TYR QE 2 59 LEU QD 3.500 . 5.100 4.794 3.804 5.032 . 0 0 "[ . 1 . 2]" 1
396 2 73 LYS HA 2 73 LYS QG 2.500 . 3.300 2.529 2.342 2.978 . 0 0 "[ . 1 . 2]" 1
397 2 49 LYS QB 2 49 LYS HG3 2.100 . 2.700 2.325 2.146 2.368 . 0 0 "[ . 1 . 2]" 1
398 2 43 LYS QD 2 43 LYS HG2 2.000 . 2.500 2.334 2.173 2.447 . 0 0 "[ . 1 . 2]" 1
399 2 43 LYS HB2 2 43 LYS HG2 2.600 . 3.500 2.967 2.542 3.014 . 0 0 "[ . 1 . 2]" 1
400 2 43 LYS HB3 2 43 LYS HG2 2.400 . 3.100 2.463 2.330 2.992 . 0 0 "[ . 1 . 2]" 1
401 2 43 LYS HA 2 43 LYS HG3 2.700 . 3.600 2.610 2.470 3.596 . 0 0 "[ . 1 . 2]" 1
402 2 43 LYS HA 2 43 LYS HG2 3.100 . 4.300 3.076 2.349 3.775 . 0 0 "[ . 1 . 2]" 1
403 2 30 ILE HA 2 33 ALA MB 2.800 . 3.800 2.671 2.442 2.881 . 0 0 "[ . 1 . 2]" 1
404 2 36 GLU HA 2 36 GLU QG 2.500 . 3.300 2.522 2.252 2.963 . 0 0 "[ . 1 . 2]" 1
405 2 36 GLU QB 2 36 GLU QG 2.000 . 2.400 2.051 1.973 2.087 . 0 0 "[ . 1 . 2]" 1
406 2 62 GLN HA 2 62 GLN QB 1.900 . 2.400 2.371 2.346 2.411 0.011 19 0 "[ . 1 . 2]" 1
407 2 62 GLN HA 2 62 GLN QG 2.300 . 3.000 2.608 2.388 2.988 . 0 0 "[ . 1 . 2]" 1
408 2 42 GLN HA 2 42 GLN HB3 2.600 . 3.400 2.671 2.288 2.907 . 0 0 "[ . 1 . 2]" 1
409 2 42 GLN HA 2 45 GLN HB2 2.600 . 3.500 3.129 2.364 3.578 0.078 1 0 "[ . 1 . 2]" 1
410 2 86 LEU QD 2 86 LEU HG 2.200 . 2.800 1.895 1.891 1.896 . 0 0 "[ . 1 . 2]" 1
411 2 86 LEU HA 2 86 LEU HG 3.200 . 4.500 3.028 2.681 3.691 . 0 0 "[ . 1 . 2]" 1
412 2 21 LYS HA 2 21 LYS HG2 3.400 . 4.800 2.643 2.308 3.276 . 0 0 "[ . 1 . 2]" 1
413 2 21 LYS HA 2 21 LYS HB2 2.700 . 3.600 2.523 2.411 3.004 . 0 0 "[ . 1 . 2]" 1
414 2 79 LEU HB2 2 79 LEU HG 2.200 . 2.800 2.925 2.401 3.022 0.222 17 0 "[ . 1 . 2]" 1
415 2 79 LEU HB3 2 79 LEU HG 2.400 . 3.100 2.507 2.354 3.018 . 0 0 "[ . 1 . 2]" 1
416 2 84 GLN HA 2 84 GLN QB 2.400 . 3.100 2.352 2.180 2.392 . 0 0 "[ . 1 . 2]" 1
417 2 43 LYS HA 2 43 LYS QD 3.300 . 4.700 3.924 2.135 4.221 . 0 0 "[ . 1 . 2]" 1
418 2 43 LYS QD 2 43 LYS HG3 2.100 . 2.600 2.234 2.163 2.391 . 0 0 "[ . 1 . 2]" 1
419 2 73 LYS QB 2 73 LYS QD 2.400 . 3.100 2.208 2.125 2.570 . 0 0 "[ . 1 . 2]" 1
420 2 32 LYS QB 2 32 LYS QD 2.000 . 2.500 2.204 2.123 2.352 . 0 0 "[ . 1 . 2]" 1
421 2 3 GLN HA 2 3 GLN HB3 2.400 . 3.100 2.684 2.355 3.024 . 0 0 "[ . 1 . 2]" 1
422 2 20 ILE MD 2 78 LEU QD 2.700 . 3.600 2.503 1.854 3.209 . 0 0 "[ . 1 . 2]" 1
423 2 19 LYS QB 2 19 LYS QD 2.200 . 2.800 2.289 2.000 2.533 . 0 0 "[ . 1 . 2]" 1
424 2 43 LYS HA 2 43 LYS HB3 2.400 . 3.100 3.022 3.018 3.025 . 0 0 "[ . 1 . 2]" 1
425 2 30 ILE MG 2 33 ALA MB 3.800 . 5.600 3.623 3.378 3.878 . 0 0 "[ . 1 . 2]" 1
426 2 33 ALA MB 2 71 LEU MD2 2.400 . 3.100 2.891 1.855 3.128 0.028 6 0 "[ . 1 . 2]" 1
427 2 33 ALA MB 2 71 LEU MD1 2.400 . 3.100 2.053 1.801 2.639 . 0 0 "[ . 1 . 2]" 1
428 2 41 TYR HA 2 44 GLU QB 3.200 . 4.500 3.194 2.611 4.271 . 0 0 "[ . 1 . 2]" 1
429 2 46 ARG HA 2 46 ARG QB 2.200 . 2.800 2.379 2.167 2.432 . 0 0 "[ . 1 . 2]" 1
430 2 46 ARG QB 2 46 ARG HG2 2.100 . 2.700 2.346 2.286 2.387 . 0 0 "[ . 1 . 2]" 1
431 2 57 PRO HB2 2 57 PRO QD 3.100 . 4.300 2.868 2.843 2.894 . 0 0 "[ . 1 . 2]" 1
432 2 57 PRO HB3 2 57 PRO QD 3.400 . 4.900 3.536 3.529 3.541 . 0 0 "[ . 1 . 2]" 1
433 2 57 PRO HA 2 57 PRO QD 3.000 . 4.100 3.385 3.350 3.435 . 0 0 "[ . 1 . 2]" 1
434 2 28 PRO HD3 2 28 PRO HG3 2.500 . 3.300 2.292 2.280 2.313 . 0 0 "[ . 1 . 2]" 1
435 2 28 PRO HD2 2 28 PRO HG3 2.800 . 3.800 2.738 2.689 2.769 . 0 0 "[ . 1 . 2]" 1
436 2 28 PRO HB3 2 28 PRO HD3 3.500 . 5.000 3.036 2.951 3.109 . 0 0 "[ . 1 . 2]" 1
437 2 28 PRO HD2 2 28 PRO HG2 3.000 . 4.100 2.292 2.280 2.313 . 0 0 "[ . 1 . 2]" 1
438 2 86 LEU HA 2 87 PRO HD2 2.900 . 3.900 2.503 1.915 2.722 . 0 0 "[ . 1 . 2]" 1
439 2 87 PRO HA 2 87 PRO HD3 2.700 . 3.600 3.586 3.393 3.641 0.041 5 0 "[ . 1 . 2]" 1
440 2 87 PRO HD3 2 87 PRO QG 2.400 . 3.100 2.190 2.179 2.248 . 0 0 "[ . 1 . 2]" 1
441 2 86 LEU HB3 2 87 PRO HD2 3.400 . 4.800 2.991 2.101 4.410 . 0 0 "[ . 1 . 2]" 1
442 2 87 PRO HB3 2 87 PRO HD2 3.900 . 5.800 3.917 3.867 3.945 . 0 0 "[ . 1 . 2]" 1
443 2 87 PRO HB3 2 87 PRO HD3 3.600 . 5.300 3.873 2.946 4.042 . 0 0 "[ . 1 . 2]" 1
444 2 86 LEU HB3 2 87 PRO HD3 4.000 . 6.000 3.620 3.301 4.452 . 0 0 "[ . 1 . 2]" 1
445 2 86 LEU QD 2 87 PRO HD3 4.100 . 6.000 3.206 2.517 3.988 . 0 0 "[ . 1 . 2]" 1
446 2 86 LEU QD 2 87 PRO HD2 3.600 . 4.300 2.882 2.002 3.224 . 0 0 "[ . 1 . 2]" 1
447 2 35 LEU HA 2 38 LEU QD 3.300 . 4.600 3.379 2.956 3.809 . 0 0 "[ . 1 . 2]" 1
448 2 51 ALA MB 2 55 TYR QE 3.300 . 4.600 4.406 3.946 4.632 0.032 20 0 "[ . 1 . 2]" 1
449 2 51 ALA MB 2 55 TYR QD 3.300 . 4.600 3.168 2.738 3.345 . 0 0 "[ . 1 . 2]" 1
450 2 51 ALA MB 2 55 TYR HB2 2.500 . 3.300 2.184 1.999 2.410 . 0 0 "[ . 1 . 2]" 1
451 2 51 ALA MB 2 55 TYR HB3 2.700 . 3.600 2.579 2.169 3.132 . 0 0 "[ . 1 . 2]" 1
452 2 51 ALA MB 2 55 TYR HA 3.700 . 5.400 4.157 3.836 4.377 . 0 0 "[ . 1 . 2]" 1
453 2 48 ALA HA 2 51 ALA MB 2.600 . 3.400 2.827 2.488 3.357 . 0 0 "[ . 1 . 2]" 1
454 2 48 ALA MB 2 55 TYR QD 2.800 . 3.800 2.312 1.988 2.550 . 0 0 "[ . 1 . 2]" 1
455 2 48 ALA HA 2 48 ALA MB 2.100 . 2.600 2.129 2.127 2.131 . 0 0 "[ . 1 . 2]" 1
456 2 48 ALA MB 2 57 PRO QD 3.000 . 4.100 3.030 2.384 3.436 . 0 0 "[ . 1 . 2]" 1
457 2 48 ALA MB 2 55 TYR HB3 3.400 . 4.800 3.401 2.686 4.110 . 0 0 "[ . 1 . 2]" 1
458 2 48 ALA MB 2 55 TYR HB2 3.700 . 5.400 4.731 4.101 5.388 . 0 0 "[ . 1 . 2]" 1
459 2 20 ILE MD 2 72 PHE HZ 2.900 . 4.000 3.478 3.009 3.947 . 0 0 "[ . 1 . 2]" 1
460 2 20 ILE MG 2 31 TYR QE 2.900 . 4.000 2.797 2.182 3.832 . 0 0 "[ . 1 . 2]" 1
461 2 20 ILE MG 2 72 PHE QE 2.900 . 3.900 3.771 3.219 3.953 0.053 14 0 "[ . 1 . 2]" 1
462 2 20 ILE MG 2 78 LEU QD 2.900 . 4.000 3.045 2.472 3.443 . 0 0 "[ . 1 . 2]" 1
463 2 20 ILE HA 2 20 ILE MG 2.700 . 3.600 2.394 2.314 2.435 . 0 0 "[ . 1 . 2]" 1
464 2 37 ILE MG 2 64 VAL HA 2.800 . 3.800 2.220 1.919 2.441 . 0 0 "[ . 1 . 2]" 1
465 2 20 ILE MG 2 72 PHE HZ 3.100 . 4.300 3.525 3.127 3.922 . 0 0 "[ . 1 . 2]" 1
466 2 17 VAL QG 2 20 ILE HB 3.700 . 5.500 3.865 3.364 4.564 . 0 0 "[ . 1 . 2]" 1
467 2 34 PHE HZ 2 38 LEU QD 3.500 . 5.100 2.755 2.495 3.087 . 0 0 "[ . 1 . 2]" 1
468 2 38 LEU QD 2 82 PHE QE 3.500 . 4.500 2.315 1.877 3.108 0.123 14 0 "[ . 1 . 2]" 1
469 2 34 PHE QE 2 38 LEU QD 3.200 . 4.400 2.345 2.023 3.025 . 0 0 "[ . 1 . 2]" 1
470 2 35 LEU HB3 2 35 LEU QD 2.500 . 3.300 2.142 2.083 2.295 . 0 0 "[ . 1 . 2]" 1
471 2 35 LEU QD 2 35 LEU HG 2.200 . 2.800 1.893 1.889 1.896 . 0 0 "[ . 1 . 2]" 1
472 2 35 LEU HB2 2 35 LEU QD 2.400 . 3.100 2.259 2.113 2.357 . 0 0 "[ . 1 . 2]" 1
473 2 20 ILE MD 2 31 TYR QE 3.400 . 4.900 4.180 3.415 4.923 0.023 5 0 "[ . 1 . 2]" 1
474 2 37 ILE MG 2 68 VAL QG 3.500 . 5.000 2.743 2.616 2.844 . 0 0 "[ . 1 . 2]" 1
475 2 86 LEU QD 2 87 PRO HG2 3.800 . 5.600 4.288 3.603 4.560 . 0 0 "[ . 1 . 2]" 1
476 2 48 ALA HA 2 55 TYR HB3 3.300 . 4.600 2.715 2.086 3.384 . 0 0 "[ . 1 . 2]" 1
477 2 48 ALA HA 2 55 TYR HB2 3.900 . 5.800 3.794 3.098 4.646 . 0 0 "[ . 1 . 2]" 1
478 2 32 LYS HA 2 35 LEU HB3 3.900 . 5.800 4.364 4.083 4.700 . 0 0 "[ . 1 . 2]" 1
479 2 32 LYS HA 2 35 LEU HB2 3.500 . 5.000 2.775 2.491 3.034 . 0 0 "[ . 1 . 2]" 1
480 2 30 ILE MG 2 71 LEU HB3 4.100 . 6.000 3.813 2.576 4.521 . 0 0 "[ . 1 . 2]" 1
481 2 31 TYR HA 2 34 PHE HB2 3.800 . 5.600 3.826 3.511 4.191 . 0 0 "[ . 1 . 2]" 1
482 2 77 ASP HA 2 77 ASP HB2 2.700 . 3.600 2.741 2.438 3.028 . 0 0 "[ . 1 . 2]" 1
483 2 77 ASP HA 2 77 ASP HB3 2.600 . 3.400 2.747 2.446 3.029 . 0 0 "[ . 1 . 2]" 1
484 2 44 GLU HA 2 44 GLU HG2 2.600 . 3.500 3.119 2.462 4.201 0.701 17 2 "[ . - . + 2]" 1
485 2 50 GLU HA 2 50 GLU HB3 2.300 . 3.000 2.528 2.452 2.925 . 0 0 "[ . 1 . 2]" 1
486 2 62 GLN HA 2 65 TYR HB2 3.200 . 4.500 3.810 3.315 4.480 . 0 0 "[ . 1 . 2]" 1
487 2 16 TYR QE 2 81 GLU HG3 5.000 . 6.000 4.108 2.694 5.425 . 0 0 "[ . 1 . 2]" 1
488 2 16 TYR QE 2 81 GLU HG2 4.100 . 6.000 4.373 2.797 5.719 . 0 0 "[ . 1 . 2]" 1
489 2 81 GLU HA 2 81 GLU HG2 3.100 . 4.300 3.048 2.494 3.756 . 0 0 "[ . 1 . 2]" 1
490 2 62 GLN QB 2 62 GLN QG 1.800 . 2.200 2.042 1.989 2.086 . 0 0 "[ . 1 . 2]" 1
491 2 27 GLN HG2 2 30 ILE QG 4.200 . 6.000 3.762 2.219 5.704 . 0 0 "[ . 1 . 2]" 1
492 2 27 GLN HG3 2 30 ILE QG 4.000 . 6.000 3.783 2.301 5.438 . 0 0 "[ . 1 . 2]" 1
493 2 47 ASN HA 2 50 GLU QG 2.900 . 3.900 3.223 2.671 3.588 . 0 0 "[ . 1 . 2]" 1
494 2 30 ILE MG 2 71 LEU HA 3.800 . 5.600 4.192 3.457 4.791 . 0 0 "[ . 1 . 2]" 1
495 2 21 LYS HA 2 21 LYS HG3 3.500 . 5.000 3.117 2.561 3.584 . 0 0 "[ . 1 . 2]" 1
496 2 27 GLN HA 2 27 GLN HB2 3.000 . 4.100 2.807 2.459 3.023 . 0 0 "[ . 1 . 2]" 1
497 2 27 GLN HB3 2 30 ILE MD 3.300 . 4.700 3.163 2.704 3.910 . 0 0 "[ . 1 . 2]" 1
498 2 27 GLN HB3 2 30 ILE HB 3.500 . 5.000 2.747 2.218 3.547 . 0 0 "[ . 1 . 2]" 1
499 2 77 ASP HB2 2 78 LEU QD 3.000 . 4.100 3.416 2.051 4.839 0.739 18 2 "[ . - 1 . + 2]" 1
500 2 35 LEU HB2 2 35 LEU HG 2.700 . 3.600 2.535 2.399 3.022 . 0 0 "[ . 1 . 2]" 1
501 2 35 LEU MD1 2 35 LEU MD2 2.000 . 2.500 2.082 2.066 2.089 . 0 0 "[ . 1 . 2]" 1
502 2 64 VAL HA 2 64 VAL QG 2.400 . 3.100 2.117 2.082 2.143 . 0 0 "[ . 1 . 2]" 1
503 2 64 VAL QG 2 68 VAL QG 2.600 . 4.300 2.161 2.055 2.371 . 0 0 "[ . 1 . 2]" 1
504 2 69 ALA MB 2 79 LEU QD 2.300 . 3.000 2.294 2.077 2.597 . 0 0 "[ . 1 . 2]" 1
505 2 34 PHE QD 2 35 LEU QD 3.500 . 5.000 2.531 1.958 2.962 0.042 11 0 "[ . 1 . 2]" 1
506 2 31 TYR QD 2 35 LEU QD 3.600 . 5.200 3.010 2.824 3.202 . 0 0 "[ . 1 . 2]" 1
507 2 34 PHE HB3 2 35 LEU QD 3.400 . 4.800 3.425 2.279 3.862 . 0 0 "[ . 1 . 2]" 1
508 2 34 PHE QD 2 68 VAL QG 2.800 . 3.800 2.090 1.768 2.417 0.032 11 0 "[ . 1 . 2]" 1
509 2 34 PHE QE 2 68 VAL QG 3.100 . 4.300 1.891 1.804 2.137 0.096 16 0 "[ . 1 . 2]" 1
510 2 68 VAL HA 2 68 VAL QG 2.500 . 3.300 2.142 2.107 2.159 . 0 0 "[ . 1 . 2]" 1
511 2 67 GLN HB3 2 68 VAL QG 3.900 . 5.800 4.114 3.927 4.357 . 0 0 "[ . 1 . 2]" 1
512 2 30 ILE MG 2 71 LEU MD1 2.700 . 3.600 2.882 2.180 3.621 0.021 7 0 "[ . 1 . 2]" 1
513 2 68 VAL QG 2 71 LEU MD1 3.100 . 6.000 3.941 3.350 4.181 . 0 0 "[ . 1 . 2]" 1
514 2 86 LEU HB3 2 86 LEU QD 1.900 . 2.300 1.777 1.760 1.817 . 0 0 "[ . 1 . 2]" 1
515 2 68 VAL HA 2 71 LEU MD1 2.900 . 3.900 3.558 2.365 3.904 0.004 5 0 "[ . 1 . 2]" 1
516 2 86 LEU HA 2 86 LEU QD 2.300 . 2.900 2.056 1.889 2.228 0.011 6 0 "[ . 1 . 2]" 1
517 2 71 LEU HA 2 71 LEU MD1 2.500 . 3.300 2.174 2.039 2.394 . 0 0 "[ . 1 . 2]" 1
518 2 34 PHE HA 2 71 LEU MD1 2.800 . 3.800 3.782 3.596 3.858 0.058 11 0 "[ . 1 . 2]" 1
519 2 71 LEU HB2 2 71 LEU MD1 2.200 . 2.800 2.280 2.243 2.320 . 0 0 "[ . 1 . 2]" 1
520 2 65 TYR HB3 2 86 LEU QD 3.600 . 5.200 3.873 3.342 4.470 . 0 0 "[ . 1 . 2]" 1
521 2 65 TYR HB2 2 86 LEU QD 2.700 . 3.600 2.712 2.028 3.250 . 0 0 "[ . 1 . 2]" 1
522 2 71 LEU MD2 2 72 PHE QD 3.900 . 5.800 3.782 3.599 4.307 . 0 0 "[ . 1 . 2]" 1
523 2 34 PHE QD 2 71 LEU MD2 3.200 . 4.500 2.244 1.958 2.839 . 0 0 "[ . 1 . 2]" 1
524 2 68 VAL QG 2 71 LEU MD2 3.900 . 5.800 2.692 2.451 3.065 . 0 0 "[ . 1 . 2]" 1
525 2 71 LEU MD2 2 72 PHE QE 3.300 . 4.700 2.849 2.476 3.320 . 0 0 "[ . 1 . 2]" 1
526 2 68 VAL HA 2 71 LEU MD2 3.100 . 4.300 2.798 2.684 2.971 . 0 0 "[ . 1 . 2]" 1
527 2 34 PHE HB3 2 71 LEU MD2 3.900 . 5.800 3.403 3.255 3.526 . 0 0 "[ . 1 . 2]" 1
528 2 30 ILE HA 2 71 LEU MD2 3.300 . 4.700 3.565 3.114 4.159 . 0 0 "[ . 1 . 2]" 1
529 2 34 PHE HA 2 71 LEU MD2 2.900 . 3.900 2.770 2.514 3.009 . 0 0 "[ . 1 . 2]" 1
530 2 61 GLU HB2 2 86 LEU QD 3.800 . 5.600 3.122 1.973 3.722 0.027 12 0 "[ . 1 . 2]" 1
531 2 65 TYR QE 2 86 LEU QD 3.500 . 5.000 3.488 2.423 4.251 . 0 0 "[ . 1 . 2]" 1
532 2 19 LYS HG3 2 20 ILE QG 3.200 . 4.500 3.686 1.905 5.053 0.553 11 1 "[ . 1+ . 2]" 1
533 2 38 LEU QD 2 64 VAL QG 2.400 . 3.100 2.295 1.994 2.648 . 0 0 "[ . 1 . 2]" 1
534 2 64 VAL QG 2 82 PHE QE 3.600 . 5.200 2.328 1.872 3.094 0.128 18 0 "[ . 1 . 2]" 1
535 2 41 TYR QE 2 64 VAL QG 3.200 . 6.000 3.070 2.940 3.267 . 0 0 "[ . 1 . 2]" 1
536 2 64 VAL QG 2 82 PHE HZ 3.000 . 4.100 2.026 1.887 2.394 0.013 4 0 "[ . 1 . 2]" 1
537 2 41 TYR QD 2 64 VAL QG 3.100 . 4.300 2.260 2.120 2.669 . 0 0 "[ . 1 . 2]" 1
538 2 68 VAL MG1 2 68 VAL MG2 2.200 . 2.800 2.071 2.058 2.079 . 0 0 "[ . 1 . 2]" 1
539 2 38 LEU QD 2 68 VAL QG 3.200 . 4.500 3.144 2.777 3.361 . 0 0 "[ . 1 . 2]" 1
540 2 68 VAL QG 2 69 ALA HA 3.600 . 5.200 3.459 3.099 3.624 . 0 0 "[ . 1 . 2]" 1
541 2 40 THR HA 2 40 THR MG 2.300 . 2.900 2.379 2.315 2.410 . 0 0 "[ . 1 . 2]" 1
542 2 40 THR HB 2 40 THR MG 2.100 . 2.700 2.134 2.131 2.135 . 0 0 "[ . 1 . 2]" 1
543 2 60 THR HB 2 60 THR MG 2.100 . 2.600 2.134 2.133 2.136 . 0 0 "[ . 1 . 2]" 1
544 2 60 THR HA 2 60 THR MG 2.200 . 2.800 2.364 2.325 2.406 . 0 0 "[ . 1 . 2]" 1
545 2 78 LEU HA 2 78 LEU QD 2.700 . 3.600 2.894 2.058 3.344 . 0 0 "[ . 1 . 2]" 1
546 2 56 THR MG 2 57 PRO QD 2.600 . 3.400 2.815 2.183 3.179 . 0 0 "[ . 1 . 2]" 1
547 2 56 THR MG 2 57 PRO HA 3.700 . 5.400 4.444 4.275 4.544 . 0 0 "[ . 1 . 2]" 1
548 2 56 THR MG 2 57 PRO HG2 3.900 . 5.800 4.812 4.171 5.224 . 0 0 "[ . 1 . 2]" 1
549 2 56 THR MG 2 57 PRO HB3 4.100 . 6.000 5.353 4.983 5.588 . 0 0 "[ . 1 . 2]" 1
550 2 89 ALA HA 2 89 ALA MB 2.400 . 3.100 2.128 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
551 2 58 ALA MB 2 59 LEU QD 3.100 . 4.300 2.240 1.885 3.143 0.015 17 0 "[ . 1 . 2]" 1
552 2 58 ALA HA 2 58 ALA MB 2.100 . 2.600 2.127 2.124 2.130 . 0 0 "[ . 1 . 2]" 1
553 2 65 TYR QE 2 69 ALA MB 3.500 . 5.000 3.635 3.146 4.013 . 0 0 "[ . 1 . 2]" 1
554 2 68 VAL QG 2 69 ALA MB 4.500 . 6.000 3.996 3.664 4.113 . 0 0 "[ . 1 . 2]" 1
555 2 69 ALA HA 2 69 ALA MB 2.200 . 2.800 2.130 2.127 2.132 . 0 0 "[ . 1 . 2]" 1
556 2 27 GLN HA 2 28 PRO HG3 4.900 . 6.000 4.531 4.394 4.630 . 0 0 "[ . 1 . 2]" 1
557 2 46 ARG HA 2 49 LYS QD 3.400 . 4.800 3.801 2.876 4.834 0.034 7 0 "[ . 1 . 2]" 1
558 2 40 THR MG 2 59 LEU QD 2.100 . 2.700 2.008 1.766 2.715 0.015 10 0 "[ . 1 . 2]" 1
559 2 59 LEU HB3 2 59 LEU QD 2.000 . 2.500 2.153 2.086 2.310 . 0 0 "[ . 1 . 2]" 1
560 2 79 LEU MD1 2 79 LEU MD2 2.000 . 2.500 2.083 2.056 2.096 . 0 0 "[ . 1 . 2]" 1
561 2 78 LEU MD1 2 78 LEU MD2 2.300 . 2.900 2.073 2.044 2.088 . 0 0 "[ . 1 . 2]" 1
562 2 75 GLN QB 2 78 LEU QD 2.800 . 3.800 2.110 1.641 3.011 0.159 11 0 "[ . 1 . 2]" 1
563 2 78 LEU QD 2 78 LEU HG 2.100 . 2.700 1.889 1.859 1.894 . 0 0 "[ . 1 . 2]" 1
564 2 75 GLN HG2 2 78 LEU QD 3.500 . 5.000 3.754 2.003 4.524 . 0 0 "[ . 1 . 2]" 1
565 2 24 PHE QE 2 78 LEU QD 3.000 . 4.100 2.075 1.837 2.529 0.063 3 0 "[ . 1 . 2]" 1
566 2 21 LYS HB3 2 21 LYS QE 2.700 . 3.600 2.321 1.844 3.600 0.000 6 0 "[ . 1 . 2]" 1
567 2 75 GLN HA 2 78 LEU QD 4.000 . 6.000 3.917 3.425 5.025 . 0 0 "[ . 1 . 2]" 1
568 2 72 PHE HB3 2 78 LEU QD 3.600 . 5.300 3.546 2.549 4.233 . 0 0 "[ . 1 . 2]" 1
569 2 2 LEU HB3 2 2 LEU MD2 2.200 . 2.800 2.036 1.905 2.098 . 0 0 "[ . 1 . 2]" 1
570 2 32 LYS QE 2 32 LYS QG 2.700 . 3.600 2.315 2.136 2.780 . 0 0 "[ . 1 . 2]" 1
571 2 71 LEU HB2 2 71 LEU MD2 2.600 . 3.400 2.515 2.461 2.592 . 0 0 "[ . 1 . 2]" 1
572 2 40 THR MG 2 43 LYS QE 3.400 . 4.800 3.296 2.062 4.837 0.037 9 0 "[ . 1 . 2]" 1
573 2 49 LYS HA 2 49 LYS QE 4.100 . 6.000 4.521 2.765 5.083 . 0 0 "[ . 1 . 2]" 1
574 2 32 LYS HA 2 32 LYS QE 3.900 . 5.800 4.453 3.771 5.087 . 0 0 "[ . 1 . 2]" 1
575 2 43 LYS QE 2 43 LYS HG2 3.000 . 4.100 2.711 2.289 3.522 . 0 0 "[ . 1 . 2]" 1
576 2 43 LYS HA 2 43 LYS QE 3.800 . 5.600 4.415 3.431 5.019 . 0 0 "[ . 1 . 2]" 1
577 2 64 VAL QG 2 65 TYR HA 3.000 . 4.100 3.080 2.816 3.324 . 0 0 "[ . 1 . 2]" 1
578 2 8 VAL HA 2 8 VAL QG 2.900 . 3.900 2.292 2.185 2.377 . 0 0 "[ . 1 . 2]" 1
579 2 23 ARG HA 2 23 ARG QD 2.700 . 3.600 2.408 2.017 3.674 0.074 3 0 "[ . 1 . 2]" 1
580 2 28 PRO HD3 2 28 PRO QG 2.400 . 3.100 2.220 2.208 2.239 . 0 0 "[ . 1 . 2]" 1
581 2 86 LEU HB3 2 87 PRO HG2 3.300 . 4.700 4.437 3.695 4.727 0.027 18 0 "[ . 1 . 2]" 1
582 2 41 TYR HB3 2 59 LEU QD 3.800 . 5.600 4.304 3.442 4.704 . 0 0 "[ . 1 . 2]" 1
583 2 59 LEU QD 2 63 GLU HB2 2.400 . 3.100 2.428 1.708 2.847 . 0 0 "[ . 1 . 2]" 1
584 2 59 LEU HB2 2 59 LEU QD 2.100 . 2.600 1.770 1.742 1.826 . 0 0 "[ . 1 . 2]" 1
585 2 78 LEU QD 2 79 LEU QD 3.100 . 4.300 3.596 2.508 4.091 . 0 0 "[ . 1 . 2]" 1
586 2 17 VAL QG 2 21 LYS QE 3.700 . 5.400 3.876 2.014 5.265 . 0 0 "[ . 1 . 2]" 1
587 2 37 ILE MD 2 67 GLN HB3 3.000 . 4.100 2.315 2.178 2.562 . 0 0 "[ . 1 . 2]" 1
588 2 67 GLN HA 2 67 GLN HB3 2.600 . 3.500 2.474 2.424 2.522 . 0 0 "[ . 1 . 2]" 1
589 2 71 LEU HA 2 71 LEU HG 3.400 . 4.800 2.729 2.374 2.958 . 0 0 "[ . 1 . 2]" 1
590 2 70 ARG HA 2 70 ARG HG2 2.700 . 3.600 2.982 2.579 3.622 0.022 10 0 "[ . 1 . 2]" 1
591 2 24 PHE HZ 2 78 LEU QD 3.600 . 5.200 2.670 2.099 3.313 . 0 0 "[ . 1 . 2]" 1
592 2 68 VAL QG 2 79 LEU HA 4.700 . 6.000 3.383 2.933 3.702 . 0 0 "[ . 1 . 2]" 1
593 2 40 THR MG 2 44 GLU HG2 2.900 . 3.900 2.801 2.419 3.797 . 0 0 "[ . 1 . 2]" 1
594 2 40 THR MG 2 44 GLU HG3 3.100 . 4.300 3.155 2.537 3.909 . 0 0 "[ . 1 . 2]" 1
595 2 56 THR HB 2 57 PRO QD 3.300 . 4.600 4.298 4.016 4.411 . 0 0 "[ . 1 . 2]" 1
596 2 8 VAL QG 2 9 GLU QG 2.900 . 3.900 2.647 1.871 3.938 0.038 2 0 "[ . 1 . 2]" 1
597 2 19 LYS HA 2 19 LYS QD 3.400 . 4.800 3.964 3.727 4.228 . 0 0 "[ . 1 . 2]" 1
598 2 48 ALA MB 2 57 PRO HB3 3.200 . 4.500 3.448 2.874 3.930 . 0 0 "[ . 1 . 2]" 1
599 2 44 GLU QB 2 58 ALA MB 3.300 . 4.700 3.442 2.192 4.246 . 0 0 "[ . 1 . 2]" 1
600 2 44 GLU HG2 2 58 ALA MB 3.200 . 4.500 3.461 2.267 4.403 . 0 0 "[ . 1 . 2]" 1
601 2 58 ALA MB 2 59 LEU HA 3.700 . 5.400 3.974 3.848 4.361 . 0 0 "[ . 1 . 2]" 1
602 2 86 LEU HA 2 87 PRO QG 4.600 . 6.000 3.882 3.781 4.054 . 0 0 "[ . 1 . 2]" 1
603 2 51 ALA MB 2 54 ASN HA 4.800 . 6.000 5.842 5.457 6.016 0.016 10 0 "[ . 1 . 2]" 1
604 2 56 THR MG 2 57 PRO HG3 5.200 . 6.000 5.127 4.567 5.402 . 0 0 "[ . 1 . 2]" 1
605 1 13 LEU HA 1 13 LEU MD2 2.900 . 4.000 2.516 1.965 3.776 . 0 0 "[ . 1 . 2]" 1
606 1 13 LEU HA 1 13 LEU MD1 3.200 . 4.500 3.151 1.847 3.872 0.053 1 0 "[ . 1 . 2]" 1
607 1 9 ALA HA 1 12 VAL QG 3.000 . 4.100 2.377 1.915 3.145 . 0 0 "[ . 1 . 2]" 1
608 1 12 VAL HA 1 12 VAL QG 2.700 . 3.500 2.221 2.101 2.365 . 0 0 "[ . 1 . 2]" 1
609 1 10 VAL HA 1 10 VAL QG 3.400 . 4.900 2.202 2.122 2.320 . 0 0 "[ . 1 . 2]" 1
610 1 17 ALA HA 1 17 ALA MB 2.200 . 2.800 2.125 2.121 2.128 . 0 0 "[ . 1 . 2]" 1
611 1 19 GLN HA 1 19 GLN HB2 2.500 . 3.300 2.642 2.436 3.022 . 0 0 "[ . 1 . 2]" 1
612 1 19 GLN HA 1 19 GLN HB3 2.700 . 3.600 2.883 2.500 3.025 . 0 0 "[ . 1 . 2]" 1
613 1 16 MET HA 1 19 GLN HB2 3.800 . 5.700 3.614 2.907 4.886 . 0 0 "[ . 1 . 2]" 1
614 1 16 MET HA 1 19 GLN HB3 3.800 . 5.600 3.906 2.931 5.711 0.111 3 0 "[ . 1 . 2]" 1
615 1 16 MET HA 1 16 MET HB3 2.600 . 3.500 2.533 2.171 2.911 . 0 0 "[ . 1 . 2]" 1
616 1 19 GLN HA 1 19 GLN QG 2.500 . 3.300 2.660 2.354 3.008 . 0 0 "[ . 1 . 2]" 1
617 1 5 MET HA 1 5 MET QG 2.700 . 3.600 2.725 2.390 3.335 . 0 0 "[ . 1 . 2]" 1
618 1 18 ARG HA 1 18 ARG HB2 2.400 . 3.100 2.727 2.429 3.019 . 0 0 "[ . 1 . 2]" 1
619 1 18 ARG HA 1 18 ARG HB3 2.700 . 3.600 2.821 2.519 3.027 . 0 0 "[ . 1 . 2]" 1
620 1 5 MET HA 1 5 MET QB 2.500 . 3.300 2.331 2.177 2.524 . 0 0 "[ . 1 . 2]" 1
621 1 21 ARG HA 1 21 ARG HB2 2.200 . 2.800 2.798 2.430 3.024 0.224 14 0 "[ . 1 . 2]" 1
622 1 18 ARG HA 1 18 ARG HG3 2.800 . 3.800 3.255 2.371 3.753 . 0 0 "[ . 1 . 2]" 1
623 1 18 ARG HA 1 18 ARG HG2 2.700 . 3.600 3.208 2.386 3.812 0.212 3 0 "[ . 1 . 2]" 1
624 1 1 ASP HA 1 1 ASP QB 1.900 . 2.400 2.307 2.187 2.381 . 0 0 "[ . 1 . 2]" 1
625 1 22 ALA HA 1 22 ALA MB 2.100 . 2.600 2.128 2.125 2.129 . 0 0 "[ . 1 . 2]" 1
626 1 10 VAL HA 1 13 LEU MD1 4.000 . 6.000 3.625 2.477 5.327 . 0 0 "[ . 1 . 2]" 1
627 1 16 MET ME 1 16 MET HG3 3.200 . 4.400 2.852 2.440 3.405 . 0 0 "[ . 1 . 2]" 1
628 1 20 ARG QD 1 20 ARG QG 2.100 . 2.700 2.028 1.995 2.091 . 0 0 "[ . 1 . 2]" 1
629 1 20 ARG HB2 1 20 ARG QD 2.800 . 3.800 2.568 2.355 2.972 . 0 0 "[ . 1 . 2]" 1
630 1 20 ARG HB3 1 20 ARG QD 2.900 . 4.000 2.639 2.362 3.025 . 0 0 "[ . 1 . 2]" 1
631 1 18 ARG QD 1 18 ARG HG3 2.400 . 3.100 2.298 2.168 2.395 . 0 0 "[ . 1 . 2]" 1
632 1 18 ARG HB3 1 18 ARG QD 3.100 . 4.300 2.926 2.267 3.491 . 0 0 "[ . 1 . 2]" 1
633 1 18 ARG QD 1 18 ARG HG2 2.200 . 2.800 2.307 2.171 2.405 . 0 0 "[ . 1 . 2]" 1
634 1 5 MET ME 1 5 MET QG 2.400 . 3.100 2.231 2.222 2.241 . 0 0 "[ . 1 . 2]" 1
635 1 19 GLN HB2 1 19 GLN QG 2.400 . 3.100 2.304 2.154 2.383 . 0 0 "[ . 1 . 2]" 1
636 1 16 MET HB3 1 16 MET ME 2.900 . 3.900 2.489 1.927 2.903 . 0 0 "[ . 1 . 2]" 1
637 1 16 MET HB2 1 16 MET ME 3.300 . 4.600 2.569 1.969 4.074 0.031 5 0 "[ . 1 . 2]" 1
638 1 13 LEU HB3 1 13 LEU MD2 2.800 . 3.800 2.507 2.308 3.193 . 0 0 "[ . 1 . 2]" 1
639 1 13 LEU HB3 1 13 LEU MD1 2.900 . 3.900 2.579 2.376 3.199 . 0 0 "[ . 1 . 2]" 1
640 1 9 ALA MB 1 12 VAL QG 2.900 . 3.900 3.278 2.605 3.778 . 0 0 "[ . 1 . 2]" 1
641 1 17 ALA HA 1 20 ARG QD 3.500 . 5.000 4.082 2.068 5.012 0.012 14 0 "[ . 1 . 2]" 1
642 1 20 ARG HA 1 20 ARG QD 3.600 . 5.200 4.176 3.993 4.531 . 0 0 "[ . 1 . 2]" 1
643 1 21 ARG HA 1 21 ARG QD 3.200 . 4.500 2.960 1.941 4.257 . 0 0 "[ . 1 . 2]" 1
644 1 18 ARG HA 1 18 ARG QD 2.600 . 3.500 2.367 1.980 3.566 0.066 16 0 "[ . 1 . 2]" 1
645 1 16 MET HA 1 16 MET HG3 3.500 . 5.100 2.923 2.536 3.808 . 0 0 "[ . 1 . 2]" 1
646 1 6 ASP HA 1 6 ASP HB3 2.900 . 4.000 2.946 2.465 3.031 . 0 0 "[ . 1 . 2]" 1
647 1 6 ASP HA 1 6 ASP HB2 2.800 . 3.800 2.519 2.411 3.027 . 0 0 "[ . 1 . 2]" 1
648 1 2 PHE HA 1 2 PHE QD 4.200 . 6.000 3.114 2.457 3.730 . 0 0 "[ . 1 . 2]" 1
649 1 2 PHE HA 1 2 PHE QE 4.900 . 6.000 4.953 4.305 5.646 . 0 0 "[ . 1 . 2]" 1
650 2 51 ALA MB 2 53 GLY H 3.500 . 5.100 3.001 2.478 3.523 . 0 0 "[ . 1 . 2]" 1
651 2 52 GLY H 2 53 GLY H 2.600 . 3.500 2.950 2.236 3.510 0.010 9 0 "[ . 1 . 2]" 1
652 2 51 ALA HA 2 52 GLY H 2.800 . 3.800 3.495 3.356 3.542 . 0 0 "[ . 1 . 2]" 1
653 2 49 LYS HA 2 52 GLY H 3.000 . 4.200 3.688 3.419 3.842 . 0 0 "[ . 1 . 2]" 1
654 2 52 GLY H 2 52 GLY HA3 2.600 . 3.400 2.857 2.712 2.956 . 0 0 "[ . 1 . 2]" 1
655 2 52 GLY H 2 52 GLY HA2 2.200 . 2.800 2.361 2.294 2.568 . 0 0 "[ . 1 . 2]" 1
656 2 51 ALA MB 2 52 GLY H 2.800 . 3.800 2.725 2.507 3.142 . 0 0 "[ . 1 . 2]" 1
657 2 51 ALA H 2 52 GLY H 2.700 . 3.600 2.610 2.474 2.742 . 0 0 "[ . 1 . 2]" 1
658 2 36 GLU QB 2 37 ILE H 2.900 . 4.000 2.677 2.565 2.764 . 0 0 "[ . 1 . 2]" 1
659 2 37 ILE H 2 37 ILE HB 2.200 . 2.800 1.999 1.938 2.071 . 0 0 "[ . 1 . 2]" 1
660 2 37 ILE H 2 37 ILE MG 4.000 . 6.000 3.775 3.763 3.780 . 0 0 "[ . 1 . 2]" 1
661 2 37 ILE H 2 37 ILE HG12 4.000 . 6.000 3.432 3.331 3.559 . 0 0 "[ . 1 . 2]" 1
662 2 37 ILE H 2 38 LEU H 3.000 . 4.100 2.694 2.576 2.820 . 0 0 "[ . 1 . 2]" 1
663 2 36 GLU HA 2 37 ILE H 3.600 . 5.200 3.525 3.497 3.553 . 0 0 "[ . 1 . 2]" 1
664 2 34 PHE HA 2 37 ILE H 4.300 . 6.000 3.395 3.250 3.504 . 0 0 "[ . 1 . 2]" 1
665 2 37 ILE H 2 37 ILE MD 3.300 . 4.700 3.486 3.419 3.562 . 0 0 "[ . 1 . 2]" 1
666 2 37 ILE H 2 38 LEU QD 3.400 . 4.800 4.193 3.772 4.619 . 0 0 "[ . 1 . 2]" 1
667 2 30 ILE H 2 30 ILE MG 4.000 . 6.000 3.755 3.735 3.772 . 0 0 "[ . 1 . 2]" 1
668 2 58 ALA H 2 58 ALA MB 2.300 . 2.900 2.290 2.233 2.396 . 0 0 "[ . 1 . 2]" 1
669 2 57 PRO HB2 2 58 ALA H 3.800 . 5.600 3.398 2.843 3.932 . 0 0 "[ . 1 . 2]" 1
670 2 57 PRO HB3 2 58 ALA H 3.200 . 4.500 3.041 2.639 3.528 . 0 0 "[ . 1 . 2]" 1
671 2 58 ALA H 2 58 ALA HA 2.600 . 3.400 2.878 2.797 2.943 . 0 0 "[ . 1 . 2]" 1
672 2 55 TYR QE 2 58 ALA H 4.700 . 6.000 4.110 3.165 5.343 . 0 0 "[ . 1 . 2]" 1
673 2 58 ALA H 2 59 LEU H 2.700 . 3.600 2.633 2.211 3.046 . 0 0 "[ . 1 . 2]" 1
674 2 57 PRO HA 2 58 ALA H 2.200 . 2.800 2.321 2.153 2.533 . 0 0 "[ . 1 . 2]" 1
675 2 55 TYR QD 2 56 THR H 3.300 . 4.700 3.374 3.097 3.799 . 0 0 "[ . 1 . 2]" 1
676 2 55 TYR HA 2 56 THR H 2.000 . 2.500 2.208 2.138 2.291 . 0 0 "[ . 1 . 2]" 1
677 2 56 THR H 2 56 THR HB 2.600 . 3.400 2.639 2.545 2.795 . 0 0 "[ . 1 . 2]" 1
678 2 56 THR H 2 57 PRO QD 4.000 . 6.000 3.928 3.698 4.246 . 0 0 "[ . 1 . 2]" 1
679 2 55 TYR HB3 2 56 THR H 3.300 . 4.700 3.988 3.767 4.262 . 0 0 "[ . 1 . 2]" 1
680 2 55 TYR HB2 2 56 THR H 3.700 . 5.400 4.147 3.940 4.402 . 0 0 "[ . 1 . 2]" 1
681 2 56 THR H 2 56 THR MG 4.200 . 6.000 3.855 3.811 3.925 . 0 0 "[ . 1 . 2]" 1
682 2 25 GLN HA 2 26 GLY H 3.300 . 4.700 3.433 3.331 3.508 . 0 0 "[ . 1 . 2]" 1
683 2 25 GLN HB2 2 26 GLY H 3.700 . 5.400 4.050 3.864 4.186 . 0 0 "[ . 1 . 2]" 1
684 2 22 ASN HA 2 25 GLN H 4.000 . 6.000 4.146 3.897 4.472 . 0 0 "[ . 1 . 2]" 1
685 2 25 GLN H 2 25 GLN HA 2.700 . 3.600 2.816 2.772 2.848 . 0 0 "[ . 1 . 2]" 1
686 2 25 GLN H 2 25 GLN HB3 2.500 . 3.300 2.595 2.476 2.705 . 0 0 "[ . 1 . 2]" 1
687 2 25 GLN H 2 25 GLN HB2 2.500 . 3.300 2.667 2.344 3.532 0.232 8 0 "[ . 1 . 2]" 1
688 2 24 PHE HA 2 25 GLN H 3.000 . 4.200 2.853 2.768 2.985 . 0 0 "[ . 1 . 2]" 1
689 2 68 VAL H 2 69 ALA H 2.900 . 4.000 2.559 2.462 2.651 . 0 0 "[ . 1 . 2]" 1
690 2 67 GLN HB2 2 68 VAL H 3.000 . 4.100 2.647 2.519 2.758 . 0 0 "[ . 1 . 2]" 1
691 2 68 VAL H 2 68 VAL HB 2.700 . 3.600 2.508 2.297 2.593 . 0 0 "[ . 1 . 2]" 1
692 2 37 ILE MD 2 68 VAL H 5.000 . 6.000 3.295 2.961 3.535 . 0 0 "[ . 1 . 2]" 1
693 2 68 VAL H 2 68 VAL QG 3.400 . 4.700 2.121 1.968 2.486 0.032 3 0 "[ . 1 . 2]" 1
694 2 68 VAL H 2 69 ALA MB 5.100 . 6.000 4.245 4.164 4.340 . 0 0 "[ . 1 . 2]" 1
695 2 76 GLU HA 2 79 LEU H 4.000 . 6.000 3.162 2.945 3.350 . 0 0 "[ . 1 . 2]" 1
696 2 41 TYR H 2 41 TYR HB2 2.700 . 3.600 2.499 2.396 2.605 . 0 0 "[ . 1 . 2]" 1
697 2 79 LEU H 2 79 LEU HB3 3.600 . 5.200 3.296 2.956 3.598 . 0 0 "[ . 1 . 2]" 1
698 2 79 LEU H 2 79 LEU HB2 2.800 . 3.800 2.170 2.029 2.657 . 0 0 "[ . 1 . 2]" 1
699 2 48 ALA H 2 48 ALA MB 2.100 . 2.600 2.241 2.232 2.254 . 0 0 "[ . 1 . 2]" 1
700 2 47 ASN HB2 2 48 ALA H 3.100 . 4.300 3.170 2.539 3.903 . 0 0 "[ . 1 . 2]" 1
701 2 47 ASN HB3 2 48 ALA H 2.700 . 3.600 3.281 2.336 3.924 0.324 19 0 "[ . 1 . 2]" 1
702 2 47 ASN HA 2 48 ALA H 2.800 . 3.800 3.519 3.466 3.566 . 0 0 "[ . 1 . 2]" 1
703 2 48 ALA H 2 55 TYR QE 3.300 . 4.600 3.956 3.330 4.540 . 0 0 "[ . 1 . 2]" 1
704 2 48 ALA H 2 55 TYR QD 3.700 . 5.400 4.119 3.848 4.556 . 0 0 "[ . 1 . 2]" 1
705 2 30 ILE H 2 31 TYR H 2.900 . 3.900 2.684 2.569 2.848 . 0 0 "[ . 1 . 2]" 1
706 2 30 ILE H 2 30 ILE HB 2.200 . 2.800 2.049 1.889 2.123 . 0 0 "[ . 1 . 2]" 1
707 2 30 ILE H 2 30 ILE QG 3.500 . 5.000 2.202 1.940 2.377 0.060 7 0 "[ . 1 . 2]" 1
708 2 33 ALA H 2 33 ALA MB 2.200 . 2.800 2.229 2.218 2.239 . 0 0 "[ . 1 . 2]" 1
709 2 32 LYS QB 2 33 ALA H 2.700 . 3.600 2.494 2.261 2.690 . 0 0 "[ . 1 . 2]" 1
710 2 30 ILE HA 2 33 ALA H 3.100 . 4.300 3.656 3.428 3.916 . 0 0 "[ . 1 . 2]" 1
711 2 33 ALA H 2 33 ALA HA 2.600 . 3.500 2.769 2.725 2.809 . 0 0 "[ . 1 . 2]" 1
712 2 32 LYS HA 2 33 ALA H 3.400 . 4.800 3.550 3.518 3.573 . 0 0 "[ . 1 . 2]" 1
713 2 63 GLU H 2 63 GLU HA 2.800 . 3.800 2.805 2.783 2.820 . 0 0 "[ . 1 . 2]" 1
714 2 62 GLN HA 2 63 GLU H 3.800 . 5.600 3.541 3.517 3.567 . 0 0 "[ . 1 . 2]" 1
715 2 63 GLU H 2 63 GLU HB2 2.400 . 3.100 2.326 2.246 2.459 . 0 0 "[ . 1 . 2]" 1
716 2 69 ALA H 2 69 ALA HA 2.800 . 3.700 2.810 2.787 2.826 . 0 0 "[ . 1 . 2]" 1
717 2 68 VAL HB 2 69 ALA H 2.900 . 3.900 2.737 2.614 2.824 . 0 0 "[ . 1 . 2]" 1
718 2 69 ALA H 2 69 ALA MB 2.500 . 3.300 2.241 2.223 2.247 . 0 0 "[ . 1 . 2]" 1
719 2 76 GLU H 2 76 GLU HA 2.600 . 3.400 2.909 2.840 2.922 . 0 0 "[ . 1 . 2]" 1
720 2 76 GLU H 2 76 GLU QB 2.200 . 2.800 2.392 2.247 2.498 . 0 0 "[ . 1 . 2]" 1
721 2 76 GLU H 2 76 GLU QG 2.900 . 4.000 3.061 2.152 4.028 0.028 20 0 "[ . 1 . 2]" 1
722 2 75 GLN H 2 76 GLU H 3.600 . 5.300 3.968 3.237 4.431 . 0 0 "[ . 1 . 2]" 1
723 2 75 GLN QB 2 76 GLU H 3.900 . 5.800 3.761 3.430 3.921 . 0 0 "[ . 1 . 2]" 1
724 2 22 ASN HB2 2 23 ARG H 3.700 . 5.400 3.791 2.412 4.245 . 0 0 "[ . 1 . 2]" 1
725 2 23 ARG H 2 23 ARG HB3 3.200 . 4.500 2.789 2.419 3.593 . 0 0 "[ . 1 . 2]" 1
726 2 23 ARG H 2 23 ARG HB2 3.100 . 4.300 2.545 2.215 2.770 . 0 0 "[ . 1 . 2]" 1
727 2 22 ASN HB3 2 23 ARG H 3.300 . 4.700 2.600 2.271 3.377 . 0 0 "[ . 1 . 2]" 1
728 2 41 TYR H 2 41 TYR HB3 3.000 . 4.100 2.554 2.441 2.626 . 0 0 "[ . 1 . 2]" 1
729 2 40 THR HA 2 41 TYR H 3.400 . 4.800 3.506 3.464 3.525 . 0 0 "[ . 1 . 2]" 1
730 2 40 THR HB 2 41 TYR H 2.800 . 3.800 2.753 2.633 2.962 . 0 0 "[ . 1 . 2]" 1
731 2 41 TYR H 2 42 GLN H 2.700 . 3.600 2.706 2.545 3.035 . 0 0 "[ . 1 . 2]" 1
732 2 40 THR H 2 41 TYR H 3.000 . 4.200 2.650 2.581 2.738 . 0 0 "[ . 1 . 2]" 1
733 2 55 TYR H 2 55 TYR QD 3.700 . 5.400 4.250 4.165 4.355 . 0 0 "[ . 1 . 2]" 1
734 2 55 TYR H 2 55 TYR HA 2.500 . 3.300 2.885 2.773 2.948 . 0 0 "[ . 1 . 2]" 1
735 2 55 TYR H 2 55 TYR HB3 2.300 . 2.900 2.615 2.479 2.732 . 0 0 "[ . 1 . 2]" 1
736 2 55 TYR H 2 55 TYR HB2 2.300 . 3.000 2.722 2.391 3.028 0.028 12 0 "[ . 1 . 2]" 1
737 2 51 ALA MB 2 55 TYR H 3.100 . 4.300 3.540 2.963 4.193 . 0 0 "[ . 1 . 2]" 1
738 2 51 ALA H 2 51 ALA MB 2.200 . 2.800 2.240 2.226 2.262 . 0 0 "[ . 1 . 2]" 1
739 2 50 GLU HB2 2 51 ALA H 2.800 . 3.800 2.798 2.218 4.144 0.344 5 0 "[ . 1 . 2]" 1
740 2 50 GLU HB3 2 51 ALA H 3.100 . 4.300 3.624 2.986 3.937 . 0 0 "[ . 1 . 2]" 1
741 2 51 ALA H 2 51 ALA HA 2.700 . 3.600 2.825 2.788 2.870 . 0 0 "[ . 1 . 2]" 1
742 2 64 VAL H 2 64 VAL QG 2.800 . 3.800 2.199 2.030 2.476 . 0 0 "[ . 1 . 2]" 1
743 2 64 VAL H 2 64 VAL HB 2.300 . 3.000 2.473 2.313 2.569 . 0 0 "[ . 1 . 2]" 1
744 2 64 VAL H 2 64 VAL HA 2.900 . 3.900 2.808 2.793 2.832 . 0 0 "[ . 1 . 2]" 1
745 2 61 GLU HA 2 64 VAL H 3.200 . 4.500 3.818 3.579 3.997 . 0 0 "[ . 1 . 2]" 1
746 2 63 GLU HA 2 64 VAL H 3.000 . 4.100 3.558 3.520 3.575 . 0 0 "[ . 1 . 2]" 1
747 2 64 VAL H 2 66 ALA H 3.000 . 4.200 3.959 3.843 4.067 . 0 0 "[ . 1 . 2]" 1
748 2 46 ARG H 2 47 ASN H 2.500 . 3.300 2.789 2.732 2.908 . 0 0 "[ . 1 . 2]" 1
749 2 46 ARG H 2 46 ARG HA 2.500 . 3.300 2.802 2.761 2.823 . 0 0 "[ . 1 . 2]" 1
750 2 34 PHE H 2 34 PHE HB3 3.000 . 4.100 2.595 2.454 2.686 . 0 0 "[ . 1 . 2]" 1
751 2 46 ARG H 2 46 ARG QD 3.900 . 5.800 3.873 3.749 3.976 . 0 0 "[ . 1 . 2]" 1
752 2 34 PHE H 2 34 PHE HB2 2.700 . 3.600 2.455 2.360 2.576 . 0 0 "[ . 1 . 2]" 1
753 2 33 ALA MB 2 34 PHE H 2.800 . 3.800 2.348 2.244 2.475 . 0 0 "[ . 1 . 2]" 1
754 2 46 ARG H 2 46 ARG HG3 2.500 . 3.300 2.460 2.239 3.471 0.171 1 0 "[ . 1 . 2]" 1
755 2 34 PHE H 2 71 LEU MD2 3.100 . 4.300 2.782 2.211 3.039 . 0 0 "[ . 1 . 2]" 1
756 2 34 PHE H 2 34 PHE QD 4.100 . 6.000 4.160 4.112 4.183 . 0 0 "[ . 1 . 2]" 1
757 2 73 LYS H 2 73 LYS QG 3.100 . 4.300 3.236 2.327 4.205 . 0 0 "[ . 1 . 2]" 1
758 2 73 LYS H 2 73 LYS QD 4.300 . 6.000 4.341 2.419 5.307 . 0 0 "[ . 1 . 2]" 1
759 2 73 LYS H 2 73 LYS QB 2.800 . 3.800 2.662 2.429 3.313 . 0 0 "[ . 1 . 2]" 1
760 2 73 LYS H 2 73 LYS HA 2.600 . 3.400 2.830 2.256 2.948 . 0 0 "[ . 1 . 2]" 1
761 2 72 PHE HA 2 73 LYS H 3.300 . 4.700 2.638 2.184 3.564 . 0 0 "[ . 1 . 2]" 1
762 2 78 LEU H 2 78 LEU HG 2.500 . 3.300 2.932 1.770 3.512 0.212 5 0 "[ . 1 . 2]" 1
763 2 78 LEU H 2 78 LEU HB3 3.400 . 4.800 3.448 2.909 3.603 . 0 0 "[ . 1 . 2]" 1
764 2 2 LEU QB 2 3 GLN H 3.400 . 4.800 3.108 2.045 3.940 . 0 0 "[ . 1 . 2]" 1
765 2 3 GLN H 2 3 GLN HB2 2.900 . 4.000 3.041 2.472 4.001 0.001 2 0 "[ . 1 . 2]" 1
766 2 3 GLN H 2 3 GLN HB3 3.700 . 5.500 3.346 2.518 4.057 . 0 0 "[ . 1 . 2]" 1
767 2 3 GLN H 2 3 GLN QG 3.600 . 5.200 3.226 1.983 4.453 0.017 1 0 "[ . 1 . 2]" 1
768 2 2 LEU HA 2 3 GLN H 2.600 . 3.500 2.770 2.135 3.524 0.024 18 0 "[ . 1 . 2]" 1
769 2 78 LEU H 2 78 LEU QD 4.100 . 4.300 2.041 1.682 3.010 0.318 5 0 "[ . 1 . 2]" 1
770 2 78 LEU H 2 78 LEU HB2 3.400 . 4.800 2.676 2.387 3.544 . 0 0 "[ . 1 . 2]" 1
771 2 71 LEU H 2 71 LEU MD2 3.600 . 5.200 4.262 4.100 4.316 . 0 0 "[ . 1 . 2]" 1
772 2 71 LEU H 2 71 LEU HB2 2.500 . 3.300 2.285 2.064 2.456 . 0 0 "[ . 1 . 2]" 1
773 2 71 LEU H 2 71 LEU HB3 2.900 . 3.900 2.787 2.551 3.379 . 0 0 "[ . 1 . 2]" 1
774 2 70 ARG QB 2 71 LEU H 2.800 . 3.800 2.983 2.863 3.075 . 0 0 "[ . 1 . 2]" 1
775 2 68 VAL HA 2 71 LEU H 3.500 . 5.000 3.114 2.975 3.304 . 0 0 "[ . 1 . 2]" 1
776 2 71 LEU H 2 71 LEU MD1 3.500 . 5.000 3.735 2.695 4.045 . 0 0 "[ . 1 . 2]" 1
777 2 74 ASN H 2 75 GLN H 2.600 . 3.400 2.583 2.303 3.197 . 0 0 "[ . 1 . 2]" 1
778 2 75 GLN H 2 75 GLN QB 2.500 . 3.300 2.450 2.166 2.604 . 0 0 "[ . 1 . 2]" 1
779 2 73 LYS HA 2 75 GLN H 3.400 . 4.900 4.145 3.768 4.912 0.012 10 0 "[ . 1 . 2]" 1
780 2 75 GLN H 2 75 GLN HG3 3.300 . 4.600 3.471 2.381 4.514 . 0 0 "[ . 1 . 2]" 1
781 2 75 GLN H 2 75 GLN HG2 3.400 . 4.800 3.403 2.104 4.578 . 0 0 "[ . 1 . 2]" 1
782 2 43 LYS H 2 43 LYS HG3 3.700 . 5.400 4.411 4.361 4.574 . 0 0 "[ . 1 . 2]" 1
783 2 43 LYS H 2 43 LYS HB2 1.900 . 2.400 2.430 2.395 2.451 0.051 1 0 "[ . 1 . 2]" 1
784 2 42 GLN QB 2 43 LYS H 2.600 . 3.400 2.551 2.339 3.005 . 0 0 "[ . 1 . 2]" 1
785 2 42 GLN H 2 43 LYS H 2.500 . 3.300 2.664 2.550 2.824 . 0 0 "[ . 1 . 2]" 1
786 2 87 PRO HB2 2 88 ASP H 3.400 . 4.800 3.855 3.132 4.226 . 0 0 "[ . 1 . 2]" 1
787 2 87 PRO HB3 2 88 ASP H 3.800 . 5.700 3.587 2.734 4.180 . 0 0 "[ . 1 . 2]" 1
788 2 88 ASP H 2 88 ASP HB2 2.800 . 3.800 2.717 2.433 3.856 0.056 11 0 "[ . 1 . 2]" 1
789 2 88 ASP H 2 88 ASP HB3 3.000 . 4.100 3.150 2.451 3.862 . 0 0 "[ . 1 . 2]" 1
790 2 87 PRO HA 2 88 ASP H 2.100 . 2.700 2.200 2.139 2.442 . 0 0 "[ . 1 . 2]" 1
791 2 87 PRO QG 2 88 ASP H 3.200 . 6.000 4.659 4.330 4.820 . 0 0 "[ . 1 . 2]" 1
792 2 88 ASP H 2 89 ALA H 3.500 . 5.000 4.480 4.186 4.621 . 0 0 "[ . 1 . 2]" 1
793 2 60 THR MG 2 61 GLU H 4.500 . 6.000 3.531 3.453 3.574 . 0 0 "[ . 1 . 2]" 1
794 2 61 GLU H 2 61 GLU HB2 3.700 . 5.400 2.854 2.487 3.584 . 0 0 "[ . 1 . 2]" 1
795 2 61 GLU H 2 61 GLU HB3 3.000 . 4.200 3.276 2.267 3.596 . 0 0 "[ . 1 . 2]" 1
796 2 60 THR HA 2 61 GLU H 2.800 . 3.700 2.704 2.620 2.832 . 0 0 "[ . 1 . 2]" 1
797 2 81 GLU QB 2 82 PHE H 3.200 . 4.500 2.689 2.481 2.945 . 0 0 "[ . 1 . 2]" 1
798 2 82 PHE H 2 82 PHE HB2 2.700 . 3.600 2.643 2.510 2.811 . 0 0 "[ . 1 . 2]" 1
799 2 82 PHE H 2 82 PHE HB3 2.400 . 3.100 2.501 2.428 2.585 . 0 0 "[ . 1 . 2]" 1
800 2 82 PHE H 2 82 PHE HA 2.800 . 3.800 2.867 2.812 2.902 . 0 0 "[ . 1 . 2]" 1
801 2 82 PHE H 2 85 PHE QD 5.100 . 6.000 4.416 4.092 5.420 . 0 0 "[ . 1 . 2]" 1
802 2 6 GLN H 2 6 GLN HB3 3.900 . 5.800 3.247 2.468 3.843 . 0 0 "[ . 1 . 2]" 1
803 2 65 TYR H 2 66 ALA H 2.700 . 3.600 2.762 2.658 2.808 . 0 0 "[ . 1 . 2]" 1
804 2 65 TYR QD 2 66 ALA H 3.700 . 5.400 4.189 3.969 4.474 . 0 0 "[ . 1 . 2]" 1
805 2 63 GLU HA 2 66 ALA H 3.100 . 4.300 3.738 3.460 3.941 . 0 0 "[ . 1 . 2]" 1
806 2 62 GLN HA 2 66 ALA H 3.400 . 4.900 3.972 3.761 4.130 . 0 0 "[ . 1 . 2]" 1
807 2 65 TYR HB3 2 66 ALA H 2.800 . 3.800 2.882 2.761 2.998 . 0 0 "[ . 1 . 2]" 1
808 2 65 TYR HB2 2 66 ALA H 3.900 . 5.800 3.889 3.650 4.044 . 0 0 "[ . 1 . 2]" 1
809 2 66 ALA H 2 66 ALA MB 2.200 . 2.800 2.247 2.238 2.259 . 0 0 "[ . 1 . 2]" 1
810 2 4 ASN H 2 4 ASN QB 3.400 . 4.900 2.782 2.301 3.361 . 0 0 "[ . 1 . 2]" 1
811 2 3 GLN HA 2 4 ASN H 2.800 . 3.800 2.755 2.143 3.538 . 0 0 "[ . 1 . 2]" 1
812 2 21 LYS H 2 21 LYS HB3 3.100 . 4.300 2.629 2.422 3.565 . 0 0 "[ . 1 . 2]" 1
813 2 21 LYS H 2 21 LYS HB2 2.800 . 3.800 2.481 2.304 2.674 . 0 0 "[ . 1 . 2]" 1
814 2 20 ILE HB 2 21 LYS H 3.600 . 5.200 2.794 2.505 3.054 . 0 0 "[ . 1 . 2]" 1
815 2 42 GLN H 2 42 GLN HB3 2.700 . 3.600 2.658 2.437 3.560 . 0 0 "[ . 1 . 2]" 1
816 2 27 GLN H 2 27 GLN HB2 2.700 . 3.600 2.655 2.346 3.254 . 0 0 "[ . 1 . 2]" 1
817 2 27 GLN H 2 27 GLN HB3 2.800 . 3.800 3.261 2.538 3.718 . 0 0 "[ . 1 . 2]" 1
818 2 27 GLN H 2 28 PRO HD2 3.500 . 5.000 4.618 4.352 5.009 0.009 9 0 "[ . 1 . 2]" 1
819 2 25 GLN HA 2 27 GLN H 3.500 . 5.100 4.102 3.716 4.967 . 0 0 "[ . 1 . 2]" 1
820 2 26 GLY HA3 2 27 GLN H 3.600 . 5.300 3.077 2.554 3.481 . 0 0 "[ . 1 . 2]" 1
821 2 49 LYS HA 2 50 GLU H 2.300 . 6.000 3.494 3.362 3.560 . 0 0 "[ . 1 . 2]" 1
822 2 50 GLU H 2 50 GLU QG 2.700 . 3.600 2.428 2.137 3.510 . 0 0 "[ . 1 . 2]" 1
823 2 50 GLU H 2 50 GLU HB3 2.600 . 3.500 3.497 2.158 3.581 0.081 10 0 "[ . 1 . 2]" 1
824 2 59 LEU H 2 59 LEU QD 4.100 . 6.000 2.334 1.937 3.086 0.063 11 0 "[ . 1 . 2]" 1
825 2 58 ALA MB 2 59 LEU H 2.800 . 3.800 2.269 1.867 2.915 . 0 0 "[ . 1 . 2]" 1
826 2 59 LEU H 2 59 LEU HB3 2.900 . 3.900 3.608 3.169 3.799 . 0 0 "[ . 1 . 2]" 1
827 2 59 LEU H 2 59 LEU HB2 3.100 . 4.300 2.381 2.017 2.862 . 0 0 "[ . 1 . 2]" 1
828 2 57 PRO HB2 2 59 LEU H 3.700 . 5.400 4.050 3.065 4.513 . 0 0 "[ . 1 . 2]" 1
829 2 58 ALA HA 2 59 LEU H 3.000 . 4.100 3.555 3.446 3.580 . 0 0 "[ . 1 . 2]" 1
830 2 59 LEU H 2 59 LEU HA 3.000 . 4.100 2.924 2.857 2.947 . 0 0 "[ . 1 . 2]" 1
831 2 49 LYS H 2 49 LYS QD 4.100 . 6.000 4.081 2.360 4.702 . 0 0 "[ . 1 . 2]" 1
832 2 49 LYS H 2 49 LYS QB 2.100 . 2.700 2.275 2.171 2.414 . 0 0 "[ . 1 . 2]" 1
833 2 48 ALA MB 2 49 LYS H 2.500 . 3.300 2.631 2.418 2.909 . 0 0 "[ . 1 . 2]" 1
834 2 49 LYS H 2 49 LYS HG3 3.700 . 5.400 4.088 2.283 4.563 . 0 0 "[ . 1 . 2]" 1
835 2 46 ARG HG2 2 47 ASN H 4.900 . 6.000 4.617 2.133 4.959 . 0 0 "[ . 1 . 2]" 1
836 2 46 ARG QB 2 47 ASN H 2.500 . 3.300 2.427 2.264 3.215 . 0 0 "[ . 1 . 2]" 1
837 2 47 ASN H 2 47 ASN HB2 2.800 . 3.800 2.466 2.355 2.557 . 0 0 "[ . 1 . 2]" 1
838 2 47 ASN H 2 47 ASN HB3 2.700 . 3.600 3.221 2.595 3.595 . 0 0 "[ . 1 . 2]" 1
839 2 46 ARG HA 2 47 ASN H 3.000 . 4.100 3.557 3.525 3.567 . 0 0 "[ . 1 . 2]" 1
840 2 44 GLU HA 2 47 ASN H 3.100 . 4.300 3.664 3.515 3.860 . 0 0 "[ . 1 . 2]" 1
841 2 47 ASN H 2 47 ASN HA 2.700 . 3.600 2.781 2.758 2.804 . 0 0 "[ . 1 . 2]" 1
842 2 64 VAL QG 2 65 TYR H 2.800 . 3.800 2.874 2.531 3.101 . 0 0 "[ . 1 . 2]" 1
843 2 64 VAL HB 2 65 TYR H 2.400 . 3.100 2.334 2.198 2.442 . 0 0 "[ . 1 . 2]" 1
844 2 65 TYR H 2 65 TYR HB2 2.300 . 3.000 2.341 2.164 2.479 . 0 0 "[ . 1 . 2]" 1
845 2 65 TYR H 2 65 TYR HB3 2.700 . 3.600 2.773 2.598 3.012 . 0 0 "[ . 1 . 2]" 1
846 2 65 TYR H 2 65 TYR HA 2.700 . 3.600 2.772 2.756 2.805 . 0 0 "[ . 1 . 2]" 1
847 2 62 GLN HA 2 65 TYR H 3.100 . 4.300 3.811 3.687 3.950 . 0 0 "[ . 1 . 2]" 1
848 2 61 GLU HA 2 65 TYR H 4.000 . 6.000 3.953 3.722 4.078 . 0 0 "[ . 1 . 2]" 1
849 2 64 VAL HA 2 65 TYR H 3.600 . 5.200 3.578 3.569 3.586 . 0 0 "[ . 1 . 2]" 1
850 2 43 LYS HG2 2 44 GLU H 3.400 . 4.800 3.753 3.328 4.675 . 0 0 "[ . 1 . 2]" 1
851 2 44 GLU H 2 44 GLU HG2 2.500 . 3.300 2.481 2.075 3.316 0.016 19 0 "[ . 1 . 2]" 1
852 2 54 ASN H 2 54 ASN QB 2.700 . 3.600 2.653 2.233 3.350 . 0 0 "[ . 1 . 2]" 1
853 2 76 GLU QB 2 77 ASP H 2.900 . 3.900 3.138 2.884 3.307 . 0 0 "[ . 1 . 2]" 1
854 2 76 GLU QG 2 77 ASP H 4.000 . 6.000 4.226 3.883 4.784 . 0 0 "[ . 1 . 2]" 1
855 2 77 ASP H 2 77 ASP HB3 2.900 . 4.000 3.067 2.483 3.601 . 0 0 "[ . 1 . 2]" 1
856 2 77 ASP H 2 77 ASP HB2 3.200 . 4.400 2.539 2.482 2.645 . 0 0 "[ . 1 . 2]" 1
857 2 76 GLU HA 2 77 ASP H 3.400 . 4.800 3.377 3.298 3.476 . 0 0 "[ . 1 . 2]" 1
858 2 77 ASP H 2 77 ASP HA 2.900 . 4.000 2.783 2.733 2.833 . 0 0 "[ . 1 . 2]" 1
859 2 75 GLN HA 2 77 ASP H 3.800 . 5.600 3.197 2.999 3.547 . 0 0 "[ . 1 . 2]" 1
860 2 77 ASP H 2 78 LEU H 2.700 . 3.600 2.831 2.642 3.132 . 0 0 "[ . 1 . 2]" 1
861 2 76 GLU H 2 77 ASP H 2.800 . 3.800 2.279 2.188 2.558 . 0 0 "[ . 1 . 2]" 1
862 2 40 THR H 2 40 THR HB 2.900 . 4.000 2.584 2.515 2.724 . 0 0 "[ . 1 . 2]" 1
863 2 39 HIS QB 2 40 THR H 2.800 . 3.800 2.246 2.134 2.368 . 0 0 "[ . 1 . 2]" 1
864 2 40 THR H 2 40 THR MG 3.800 . 5.600 3.764 3.750 3.769 . 0 0 "[ . 1 . 2]" 1
865 2 39 HIS H 2 39 HIS QB 2.600 . 3.400 2.259 2.253 2.277 . 0 0 "[ . 1 . 2]" 1
866 2 38 LEU H 2 39 HIS H 3.600 . 5.200 2.597 2.550 2.670 . 0 0 "[ . 1 . 2]" 1
867 2 29 ASP H 2 30 ILE HB 3.900 . 5.800 4.080 3.899 4.182 . 0 0 "[ . 1 . 2]" 1
868 2 29 ASP H 2 32 LYS QB 3.100 . 6.000 4.856 4.701 5.114 . 0 0 "[ . 1 . 2]" 1
869 2 28 PRO HG2 2 29 ASP H 2.500 . 3.300 2.592 2.242 3.150 . 0 0 "[ . 1 . 2]" 1
870 2 27 GLN HB3 2 29 ASP H 4.100 . 6.000 3.819 2.367 4.287 . 0 0 "[ . 1 . 2]" 1
871 2 29 ASP H 2 29 ASP HB2 2.600 . 3.400 2.580 2.445 3.591 0.191 5 0 "[ . 1 . 2]" 1
872 2 29 ASP H 2 29 ASP HB3 3.000 . 4.100 3.162 2.436 3.601 . 0 0 "[ . 1 . 2]" 1
873 2 28 PRO HD2 2 29 ASP H 3.500 . 5.000 2.447 2.204 2.863 . 0 0 "[ . 1 . 2]" 1
874 2 28 PRO HD3 2 29 ASP H 3.700 . 5.400 3.724 3.583 3.957 . 0 0 "[ . 1 . 2]" 1
875 2 29 ASP H 2 29 ASP HA 2.600 . 3.500 2.834 2.811 2.848 . 0 0 "[ . 1 . 2]" 1
876 2 28 PRO HA 2 29 ASP H 3.500 . 5.000 3.476 3.354 3.533 . 0 0 "[ . 1 . 2]" 1
877 2 27 GLN HA 2 29 ASP H 3.600 . 5.200 3.440 3.191 3.624 . 0 0 "[ . 1 . 2]" 1
878 2 29 ASP H 2 30 ILE H 2.500 . 3.300 2.714 2.633 2.790 . 0 0 "[ . 1 . 2]" 1
879 2 28 PRO HB2 2 29 ASP H 2.900 . 4.000 3.335 3.116 3.651 . 0 0 "[ . 1 . 2]" 1
880 2 61 GLU H 2 62 GLN H 3.100 . 4.300 2.697 2.603 2.828 . 0 0 "[ . 1 . 2]" 1
881 2 62 GLN H 2 63 GLU H 2.700 . 3.600 2.594 2.504 2.670 . 0 0 "[ . 1 . 2]" 1
882 2 62 GLN H 2 62 GLN HA 2.800 . 3.800 2.842 2.817 2.857 . 0 0 "[ . 1 . 2]" 1
883 2 61 GLU HA 2 62 GLN H 3.300 . 4.700 3.510 3.465 3.544 . 0 0 "[ . 1 . 2]" 1
884 2 61 GLU HB3 2 62 GLN H 3.100 . 4.300 3.803 3.607 3.990 . 0 0 "[ . 1 . 2]" 1
885 2 61 GLU HB2 2 62 GLN H 2.600 . 3.500 3.004 2.525 3.860 0.360 7 0 "[ . 1 . 2]" 1
886 2 62 GLN H 2 62 GLN QB 2.300 . 2.900 2.372 2.248 2.487 . 0 0 "[ . 1 . 2]" 1
887 2 60 THR HB 2 62 GLN H 2.800 . 3.800 3.173 2.995 3.435 . 0 0 "[ . 1 . 2]" 1
888 2 84 GLN H 2 84 GLN QB 2.600 . 3.400 2.474 2.404 2.614 . 0 0 "[ . 1 . 2]" 1
889 2 84 GLN H 2 84 GLN HG2 2.700 . 3.600 2.874 1.985 3.525 . 0 0 "[ . 1 . 2]" 1
890 2 83 GLY HA2 2 84 GLN H 3.800 . 5.600 3.515 3.486 3.545 . 0 0 "[ . 1 . 2]" 1
891 2 84 GLN H 2 84 GLN HA 2.800 . 3.800 2.818 2.780 2.882 . 0 0 "[ . 1 . 2]" 1
892 2 84 GLN H 2 85 PHE QD 3.800 . 5.600 4.180 3.512 5.664 0.064 15 0 "[ . 1 . 2]" 1
893 2 67 GLN H 2 68 VAL H 2.600 . 3.400 2.745 2.652 2.840 . 0 0 "[ . 1 . 2]" 1
894 2 63 GLU HA 2 67 GLN H 4.300 . 6.000 4.081 3.691 4.275 . 0 0 "[ . 1 . 2]" 1
895 2 64 VAL HA 2 67 GLN H 3.800 . 5.600 3.725 3.496 3.956 . 0 0 "[ . 1 . 2]" 1
896 2 67 GLN H 2 67 GLN HG3 2.600 . 3.400 2.330 2.034 3.446 0.046 5 0 "[ . 1 . 2]" 1
897 2 67 GLN H 2 67 GLN HG2 3.100 . 4.300 3.114 1.898 3.422 0.002 6 0 "[ . 1 . 2]" 1
898 2 67 GLN H 2 67 GLN HB3 2.900 . 3.900 3.589 3.574 3.595 . 0 0 "[ . 1 . 2]" 1
899 2 66 ALA MB 2 67 GLN H 2.500 . 3.300 2.163 2.137 2.278 . 0 0 "[ . 1 . 2]" 1
900 2 67 GLN H 2 68 VAL QG 4.400 . 6.000 4.101 3.910 4.376 . 0 0 "[ . 1 . 2]" 1
901 2 34 PHE QD 2 35 LEU H 3.800 . 5.600 3.347 2.989 3.736 . 0 0 "[ . 1 . 2]" 1
902 2 34 PHE HB2 2 35 LEU H 4.900 . 6.000 3.720 3.611 3.807 . 0 0 "[ . 1 . 2]" 1
903 2 35 LEU H 2 35 LEU HB3 3.900 . 5.800 3.578 3.538 3.590 . 0 0 "[ . 1 . 2]" 1
904 2 35 LEU H 2 35 LEU HG 2.800 . 3.700 2.494 2.021 3.815 0.115 6 0 "[ . 1 . 2]" 1
905 2 35 LEU H 2 35 LEU HB2 3.300 . 4.700 2.474 2.292 2.619 . 0 0 "[ . 1 . 2]" 1
906 2 35 LEU H 2 35 LEU QD 3.600 . 5.200 2.805 1.942 3.085 0.058 6 0 "[ . 1 . 2]" 1
907 2 38 LEU H 2 38 LEU HB2 3.000 . 4.100 2.272 2.108 2.571 . 0 0 "[ . 1 . 2]" 1
908 2 38 LEU H 2 38 LEU QD 3.500 . 5.100 2.443 2.089 2.853 . 0 0 "[ . 1 . 2]" 1
909 2 17 VAL HB 2 18 ASN H 2.900 . 4.000 2.825 2.348 3.965 . 0 0 "[ . 1 . 2]" 1
910 2 18 ASN H 2 18 ASN HB2 2.900 . 3.900 2.575 2.446 2.649 . 0 0 "[ . 1 . 2]" 1
911 2 18 ASN H 2 18 ASN HB3 2.600 . 3.400 2.498 2.426 2.604 . 0 0 "[ . 1 . 2]" 1
912 2 18 ASN H 2 19 LYS H 2.900 . 4.000 2.711 2.580 2.844 . 0 0 "[ . 1 . 2]" 1
913 2 17 VAL H 2 18 ASN H 3.600 . 5.200 2.701 2.614 2.829 . 0 0 "[ . 1 . 2]" 1
914 2 17 VAL QG 2 18 ASN H 4.600 . 6.000 3.253 2.199 3.463 . 0 0 "[ . 1 . 2]" 1
915 2 86 LEU H 2 86 LEU HB3 3.300 . 4.600 2.415 2.004 3.307 . 0 0 "[ . 1 . 2]" 1
916 2 86 LEU H 2 86 LEU HB2 3.600 . 5.200 2.568 2.070 3.649 . 0 0 "[ . 1 . 2]" 1
917 2 85 PHE QD 2 86 LEU H 4.400 . 6.000 4.221 3.503 4.707 . 0 0 "[ . 1 . 2]" 1
918 2 85 PHE H 2 85 PHE QD 3.300 . 4.700 2.614 1.974 3.924 . 0 0 "[ . 1 . 2]" 1
919 2 85 PHE H 2 86 LEU H 3.300 . 4.700 2.756 2.283 4.235 . 0 0 "[ . 1 . 2]" 1
920 2 85 PHE H 2 85 PHE HB3 4.300 . 6.000 3.439 2.160 3.606 . 0 0 "[ . 1 . 2]" 1
921 2 85 PHE H 2 85 PHE HB2 4.000 . 6.000 2.341 2.075 3.007 . 0 0 "[ . 1 . 2]" 1
922 2 85 PHE H 2 86 LEU QD 4.000 . 6.000 4.581 3.355 5.107 . 0 0 "[ . 1 . 2]" 1
923 2 73 LYS HA 2 74 ASN H 3.200 . 4.500 3.350 2.133 3.559 . 0 0 "[ . 1 . 2]" 1
924 2 73 LYS QG 2 74 ASN H 4.200 . 6.000 3.603 2.648 4.839 . 0 0 "[ . 1 . 2]" 1
925 2 60 THR HA 2 62 GLN H 4.200 . 6.000 4.528 4.323 4.721 . 0 0 "[ . 1 . 2]" 1
926 2 79 LEU H 2 80 SER H 3.000 . 4.200 2.668 2.510 2.855 . 0 0 "[ . 1 . 2]" 1
927 2 80 SER H 2 81 GLU H 3.000 . 4.100 2.647 2.540 2.755 . 0 0 "[ . 1 . 2]" 1
928 2 80 SER H 2 80 SER HA 2.900 . 3.900 2.850 2.824 2.874 . 0 0 "[ . 1 . 2]" 1
929 2 80 SER H 2 80 SER QB 2.600 . 3.500 2.427 2.265 2.556 . 0 0 "[ . 1 . 2]" 1
930 2 79 LEU HB2 2 80 SER H 3.900 . 5.800 3.100 2.524 3.494 . 0 0 "[ . 1 . 2]" 1
931 2 70 ARG H 2 70 ARG HA 2.500 . 3.300 2.887 2.858 2.909 . 0 0 "[ . 1 . 2]" 1
932 2 69 ALA HA 2 70 ARG H 3.200 . 4.500 3.521 3.472 3.559 . 0 0 "[ . 1 . 2]" 1
933 2 70 ARG H 2 70 ARG QD 4.900 . 6.000 4.210 2.201 4.751 . 0 0 "[ . 1 . 2]" 1
934 2 68 VAL HA 2 70 ARG H 4.300 . 6.000 4.272 4.024 4.639 . 0 0 "[ . 1 . 2]" 1
935 2 70 ARG H 2 70 ARG QB 2.100 . 2.700 2.343 2.248 2.582 . 0 0 "[ . 1 . 2]" 1
936 2 70 ARG H 2 70 ARG HG2 3.300 . 4.700 4.138 3.329 4.497 . 0 0 "[ . 1 . 2]" 1
937 2 69 ALA MB 2 70 ARG H 2.500 . 3.300 2.564 2.321 2.796 . 0 0 "[ . 1 . 2]" 1
938 2 71 LEU H 2 72 PHE H 3.200 . 4.500 2.685 2.591 3.003 . 0 0 "[ . 1 . 2]" 1
939 2 72 PHE H 2 73 LYS H 3.600 . 5.200 4.142 2.054 4.602 . 0 0 "[ . 1 . 2]" 1
940 2 72 PHE H 2 72 PHE HB3 3.800 . 5.600 3.759 3.595 3.847 . 0 0 "[ . 1 . 2]" 1
941 2 72 PHE H 2 72 PHE HB2 2.900 . 4.000 2.676 2.466 2.800 . 0 0 "[ . 1 . 2]" 1
942 2 71 LEU HB2 2 72 PHE H 3.700 . 5.400 3.702 2.728 4.010 . 0 0 "[ . 1 . 2]" 1
943 2 71 LEU HB3 2 72 PHE H 4.400 . 6.000 2.779 2.023 3.068 . 0 0 "[ . 1 . 2]" 1
944 2 22 ASN H 2 22 ASN HA 2.700 . 3.600 2.872 2.807 2.909 . 0 0 "[ . 1 . 2]" 1
945 2 19 LYS HA 2 22 ASN H 4.200 . 6.000 3.618 3.376 3.820 . 0 0 "[ . 1 . 2]" 1
946 2 22 ASN H 2 22 ASN HB3 2.600 . 3.500 2.560 2.425 3.496 . 0 0 "[ . 1 . 2]" 1
947 2 22 ASN H 2 22 ASN HB2 2.600 . 3.400 2.613 2.202 2.784 . 0 0 "[ . 1 . 2]" 1
948 2 21 LYS HB3 2 22 ASN H 2.800 . 3.800 2.741 2.434 3.469 . 0 0 "[ . 1 . 2]" 1
949 2 21 LYS HB2 2 22 ASN H 3.400 . 4.800 3.821 2.738 4.085 . 0 0 "[ . 1 . 2]" 1
950 2 59 LEU HA 2 60 THR H 2.100 . 2.600 2.149 2.117 2.304 . 0 0 "[ . 1 . 2]" 1
951 2 60 THR H 2 63 GLU HB2 2.500 . 3.300 2.064 1.698 2.700 0.002 12 0 "[ . 1 . 2]" 1
952 2 60 THR H 2 63 GLU HB3 2.800 . 3.800 2.371 1.828 2.995 . 0 0 "[ . 1 . 2]" 1
953 2 59 LEU HB2 2 60 THR H 3.400 . 4.800 3.657 2.660 4.012 . 0 0 "[ . 1 . 2]" 1
954 2 59 LEU HB3 2 60 THR H 3.900 . 5.800 3.414 3.146 3.896 . 0 0 "[ . 1 . 2]" 1
955 2 60 THR H 2 60 THR MG 2.600 . 3.400 2.692 2.445 2.825 . 0 0 "[ . 1 . 2]" 1
956 2 59 LEU QD 2 60 THR H 3.300 . 4.700 4.085 3.623 4.400 . 0 0 "[ . 1 . 2]" 1
957 2 60 THR H 2 60 THR HB 2.800 . 3.800 3.739 3.683 3.765 . 0 0 "[ . 1 . 2]" 1
958 2 24 PHE H 2 24 PHE HB3 3.900 . 5.800 3.622 3.590 3.724 . 0 0 "[ . 1 . 2]" 1
959 2 24 PHE H 2 24 PHE HB2 2.900 . 3.900 2.414 2.338 2.544 . 0 0 "[ . 1 . 2]" 1
960 2 23 ARG HB3 2 24 PHE H 3.500 . 5.000 2.515 2.058 3.931 . 0 0 "[ . 1 . 2]" 1
961 2 23 ARG HB2 2 24 PHE H 3.400 . 4.800 3.346 2.198 4.034 . 0 0 "[ . 1 . 2]" 1
962 2 31 TYR H 2 31 TYR QB 3.000 . 4.100 2.232 2.208 2.251 . 0 0 "[ . 1 . 2]" 1
963 2 17 VAL H 2 17 VAL QG 3.700 . 5.400 1.974 1.876 2.077 0.124 11 0 "[ . 1 . 2]" 1
964 2 17 VAL H 2 17 VAL HB 3.800 . 5.600 2.681 2.524 3.626 . 0 0 "[ . 1 . 2]" 1
965 2 32 LYS H 2 32 LYS QB 2.600 . 3.500 2.260 2.183 2.393 . 0 0 "[ . 1 . 2]" 1
966 2 1 SER QB 2 2 LEU H 3.800 . 5.600 3.205 2.036 3.962 . 0 0 "[ . 1 . 2]" 1
967 2 40 THR MG 2 41 TYR H 4.200 . 6.000 3.623 3.487 3.913 . 0 0 "[ . 1 . 2]" 1
968 2 36 GLU H 2 37 ILE H 3.300 . 4.600 2.552 2.412 2.694 . 0 0 "[ . 1 . 2]" 1
969 2 78 LEU H 2 79 LEU H 2.700 . 3.600 2.612 2.489 2.778 . 0 0 "[ . 1 . 2]" 1
970 2 47 ASN H 2 48 ALA H 2.800 . 3.800 2.745 2.642 2.881 . 0 0 "[ . 1 . 2]" 1
971 2 63 GLU H 2 64 VAL H 2.400 . 3.100 2.778 2.636 2.870 . 0 0 "[ . 1 . 2]" 1
972 2 54 ASN H 2 55 TYR H 2.600 . 3.400 2.564 2.192 2.729 . 0 0 "[ . 1 . 2]" 1
973 2 32 LYS H 2 33 ALA H 2.700 . 3.600 2.778 2.673 2.895 . 0 0 "[ . 1 . 2]" 1
974 2 33 ALA H 2 34 PHE H 2.700 . 3.600 2.871 2.773 3.012 . 0 0 "[ . 1 . 2]" 1
975 2 84 GLN H 2 85 PHE H 2.800 . 3.800 2.601 2.356 2.723 . 0 0 "[ . 1 . 2]" 1
976 2 83 GLY H 2 84 GLN H 3.400 . 4.800 2.663 2.575 2.720 . 0 0 "[ . 1 . 2]" 1
977 2 35 LEU H 2 36 GLU H 2.400 . 3.100 2.683 2.632 2.769 . 0 0 "[ . 1 . 2]" 1
978 2 73 LYS H 2 74 ASN H 5.100 . 6.000 3.060 2.593 4.253 . 0 0 "[ . 1 . 2]" 1
979 2 26 GLY H 2 27 GLN H 2.900 . 3.900 2.406 2.174 2.971 . 0 0 "[ . 1 . 2]" 1
980 2 25 GLN H 2 26 GLY H 3.400 . 4.800 2.606 2.520 2.715 . 0 0 "[ . 1 . 2]" 1
981 2 24 PHE H 2 25 GLN H 2.700 . 3.600 3.036 2.755 3.206 . 0 0 "[ . 1 . 2]" 1
982 2 49 LYS H 2 50 GLU H 2.600 . 3.500 2.532 2.402 2.677 . 0 0 "[ . 1 . 2]" 1
983 2 70 ARG H 2 71 LEU H 2.500 . 3.300 2.329 2.204 2.453 . 0 0 "[ . 1 . 2]" 1
984 2 69 ALA H 2 70 ARG H 2.700 . 3.600 2.648 2.553 2.766 . 0 0 "[ . 1 . 2]" 1
985 2 22 ASN H 2 23 ARG H 2.900 . 3.900 2.543 2.339 2.843 . 0 0 "[ . 1 . 2]" 1
986 2 21 LYS H 2 22 ASN H 2.900 . 4.000 2.579 2.430 2.753 . 0 0 "[ . 1 . 2]" 1
987 2 22 ASN H 2 24 PHE H 4.100 . 6.000 4.339 3.798 4.679 . 0 0 "[ . 1 . 2]" 1
988 2 73 LYS QB 2 75 GLN H 2.900 . 4.000 3.793 3.639 4.010 0.010 15 0 "[ . 1 . 2]" 1
989 2 41 TYR HB3 2 42 GLN H 3.700 . 5.400 2.501 2.086 2.789 . 0 0 "[ . 1 . 2]" 1
990 2 82 PHE H 2 82 PHE QD 4.000 . 6.000 4.199 4.176 4.216 . 0 0 "[ . 1 . 2]" 1
991 2 23 ARG H 2 24 PHE H 3.000 . 4.100 2.820 2.521 3.032 . 0 0 "[ . 1 . 2]" 1
992 2 48 ALA H 2 49 LYS H 2.100 . 2.700 2.591 2.506 2.711 0.011 16 0 "[ . 1 . 2]" 1
993 2 38 LEU HB2 2 39 HIS H 3.000 . 4.100 2.922 2.634 3.339 . 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 392
_Distance_constraint_stats_list.Viol_count 365
_Distance_constraint_stats_list.Viol_total 468.513
_Distance_constraint_stats_list.Viol_max 0.769
_Distance_constraint_stats_list.Viol_rms 0.0239
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0642
_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 2 PHE 0.147 0.022 17 0 "[ . 1 . 2]"
1 5 MET 1.206 0.129 19 0 "[ . 1 . 2]"
1 9 ALA 0.219 0.092 11 0 "[ . 1 . 2]"
1 10 VAL 0.039 0.035 11 0 "[ . 1 . 2]"
1 12 VAL 0.787 0.092 11 0 "[ . 1 . 2]"
1 13 LEU 3.286 0.134 20 0 "[ . 1 . 2]"
1 14 SER 0.059 0.059 1 0 "[ . 1 . 2]"
1 16 MET 1.396 0.094 1 0 "[ . 1 . 2]"
1 17 ALA 1.092 0.094 1 0 "[ . 1 . 2]"
1 18 ARG 0.606 0.060 18 0 "[ . 1 . 2]"
1 19 GLN 0.078 0.031 11 0 "[ . 1 . 2]"
1 20 ARG 0.500 0.194 1 0 "[ . 1 . 2]"
1 21 ARG 0.388 0.194 1 0 "[ . 1 . 2]"
2 1 SER 1.898 0.668 10 1 "[ . + . 2]"
2 2 LEU 3.642 0.668 10 1 "[ . + . 2]"
2 3 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 GLN 0.000 0.000 20 0 "[ . 1 . 2]"
2 8 VAL 0.547 0.060 18 0 "[ . 1 . 2]"
2 9 GLU 0.232 0.059 1 0 "[ . 1 . 2]"
2 13 ALA 2.051 0.134 20 0 "[ . 1 . 2]"
2 14 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 TYR 0.164 0.074 6 0 "[ . 1 . 2]"
2 17 VAL 1.119 0.129 19 0 "[ . 1 . 2]"
2 18 ASN 0.005 0.005 11 0 "[ . 1 . 2]"
2 19 LYS 1.846 0.769 20 2 "[ .- 1 . +]"
2 20 ILE 0.164 0.074 6 0 "[ . 1 . 2]"
2 21 LYS 0.530 0.126 6 0 "[ . 1 . 2]"
2 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 23 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 PHE 0.036 0.028 19 0 "[ . 1 . 2]"
2 25 GLN 0.068 0.028 19 0 "[ . 1 . 2]"
2 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 ASP 1.846 0.769 20 2 "[ .- 1 . +]"
2 30 ILE 0.425 0.052 12 0 "[ . 1 . 2]"
2 31 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 LYS 1.846 0.769 20 2 "[ .- 1 . +]"
2 33 ALA 0.487 0.126 6 0 "[ . 1 . 2]"
2 34 PHE 0.202 0.068 11 0 "[ . 1 . 2]"
2 35 LEU 0.248 0.068 11 0 "[ . 1 . 2]"
2 36 GLU 0.382 0.069 11 0 "[ . 1 . 2]"
2 37 ILE 0.066 0.055 12 0 "[ . 1 . 2]"
2 38 LEU 1.742 0.102 1 0 "[ . 1 . 2]"
2 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 TYR 0.340 0.087 11 0 "[ . 1 . 2]"
2 42 GLN 0.041 0.017 6 0 "[ . 1 . 2]"
2 43 LYS 0.208 0.183 1 0 "[ . 1 . 2]"
2 44 GLU 3.010 0.668 10 1 "[ . + . 2]"
2 45 GLN 0.299 0.183 1 0 "[ . 1 . 2]"
2 46 ARG 0.240 0.151 10 0 "[ . 1 . 2]"
2 47 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 ALA 0.057 0.040 18 0 "[ . 1 . 2]"
2 49 LYS 1.057 0.625 5 1 "[ + 1 . 2]"
2 50 GLU 0.817 0.625 5 1 "[ + 1 . 2]"
2 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 57 PRO 0.057 0.040 18 0 "[ . 1 . 2]"
2 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 LEU 2.958 0.668 10 1 "[ . + . 2]"
2 60 THR 0.014 0.014 11 0 "[ . 1 . 2]"
2 61 GLU 0.063 0.055 12 0 "[ . 1 . 2]"
2 62 GLN 0.008 0.008 5 0 "[ . 1 . 2]"
2 63 GLU 0.795 0.161 11 0 "[ . 1 . 2]"
2 64 VAL 4.420 0.255 4 0 "[ . 1 . 2]"
2 65 TYR 0.052 0.035 11 0 "[ . 1 . 2]"
2 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 67 GLN 0.055 0.055 12 0 "[ . 1 . 2]"
2 68 VAL 4.622 0.255 4 0 "[ . 1 . 2]"
2 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 LEU 0.912 0.126 6 0 "[ . 1 . 2]"
2 72 PHE 0.051 0.035 11 0 "[ . 1 . 2]"
2 73 LYS 0.401 0.052 12 0 "[ . 1 . 2]"
2 74 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 GLN 1.573 0.233 13 0 "[ . 1 . 2]"
2 76 GLU 1.584 0.233 13 0 "[ . 1 . 2]"
2 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 LEU 1.862 0.769 20 2 "[ .- 1 . +]"
2 79 LEU 8.001 0.255 4 0 "[ . 1 . 2]"
2 80 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 GLU 0.131 0.087 11 0 "[ . 1 . 2]"
2 82 PHE 0.017 0.010 11 0 "[ . 1 . 2]"
2 83 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 PHE 0.034 0.029 5 0 "[ . 1 . 2]"
2 86 LEU 0.378 0.055 12 0 "[ . 1 . 2]"
2 87 PRO 1.069 0.094 1 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 20 ARG QG 2 87 PRO QB 2.500 . 5.000 3.892 2.702 4.698 . 0 0 "[ . 1 . 2]" 2
2 1 20 ARG QB 2 87 PRO QB 2.500 . 5.000 3.842 2.936 4.238 . 0 0 "[ . 1 . 2]" 2
3 1 19 GLN QB 2 87 PRO QB 2.000 . 4.000 2.880 2.141 3.539 . 0 0 "[ . 1 . 2]" 2
4 1 16 MET HA 2 87 PRO QB 2.500 . 5.000 4.561 3.721 5.010 0.010 5 0 "[ . 1 . 2]" 2
5 1 20 ARG HA 2 87 PRO QB 2.000 . 4.000 2.271 1.935 2.946 . 0 0 "[ . 1 . 2]" 2
6 1 10 VAL QG 2 17 VAL HB 2.500 . 5.000 4.478 3.800 5.035 0.035 11 0 "[ . 1 . 2]" 2
7 1 9 ALA MB 2 17 VAL HB 2.500 . 5.000 4.613 3.992 5.010 0.010 7 0 "[ . 1 . 2]" 2
8 1 2 PHE QR 2 17 VAL HB 2.000 . 4.000 3.777 2.592 4.022 0.022 17 0 "[ . 1 . 2]" 2
9 1 2 PHE QR 2 18 ASN HA 2.000 . 4.000 3.267 2.227 3.955 . 0 0 "[ . 1 . 2]" 2
10 1 16 MET ME 2 86 LEU HA 2.500 . 5.000 3.849 2.927 4.502 . 0 0 "[ . 1 . 2]" 2
11 1 12 VAL QG 2 42 GLN QB 2.000 . 4.000 2.190 1.678 3.626 . 0 0 "[ . 1 . 2]" 2
12 1 16 MET ME 2 87 PRO QG 2.500 . 5.000 4.266 3.731 4.723 . 0 0 "[ . 1 . 2]" 2
13 1 19 GLN QB 2 87 PRO QG 2.000 . 4.000 2.216 1.751 3.299 . 0 0 "[ . 1 . 2]" 2
14 1 19 GLN QG 2 87 PRO QG 2.000 . 4.000 3.288 2.491 4.031 0.031 11 0 "[ . 1 . 2]" 2
15 1 16 MET HA 2 87 PRO QG 2.000 . 4.000 3.241 1.984 3.991 . 0 0 "[ . 1 . 2]" 2
16 1 20 ARG HA 2 87 PRO QG 2.000 . 4.000 3.893 3.504 4.040 0.040 1 0 "[ . 1 . 2]" 2
17 1 13 LEU QD 2 38 LEU QD 2.000 . 4.000 1.885 1.650 2.075 . 0 0 "[ . 1 . 2]" 2
18 1 12 VAL QG 2 38 LEU QD 2.000 . 4.000 2.280 1.770 2.898 . 0 0 "[ . 1 . 2]" 2
19 1 9 ALA MB 2 38 LEU QD 2.000 . 4.000 2.641 1.953 3.275 . 0 0 "[ . 1 . 2]" 2
20 1 12 VAL HB 2 38 LEU QD 2.000 . 4.000 3.515 2.627 4.085 0.085 3 0 "[ . 1 . 2]" 2
21 1 9 ALA HA 2 38 LEU QD 2.000 . 4.000 3.332 2.249 3.796 . 0 0 "[ . 1 . 2]" 2
22 1 9 ALA MB 2 35 LEU QD 2.500 . 3.000 2.732 2.364 3.004 0.004 2 0 "[ . 1 . 2]" 2
23 1 5 MET QB 2 35 LEU QD 2.000 . 4.000 2.137 1.690 2.776 . 0 0 "[ . 1 . 2]" 2
24 1 5 MET QG 2 35 LEU QD 2.000 . 4.000 2.104 1.609 2.938 . 0 0 "[ . 1 . 2]" 2
25 1 5 MET HA 2 35 LEU QD 2.000 . 4.000 3.196 2.420 4.014 0.014 9 0 "[ . 1 . 2]" 2
26 1 16 MET ME 2 87 PRO QD 2.000 . 4.000 3.799 3.327 4.029 0.029 11 0 "[ . 1 . 2]" 2
27 1 13 LEU QD 2 17 VAL QG 2.000 . 4.000 2.325 1.971 2.983 . 0 0 "[ . 1 . 2]" 2
28 1 10 VAL QG 2 17 VAL QG 2.000 . 4.000 3.270 2.614 3.756 . 0 0 "[ . 1 . 2]" 2
29 1 9 ALA MB 2 17 VAL QG 2.000 . 4.000 2.455 1.770 3.025 . 0 0 "[ . 1 . 2]" 2
30 1 10 VAL HA 2 17 VAL QG 2.500 . 5.000 4.003 3.066 4.590 . 0 0 "[ . 1 . 2]" 2
31 1 2 PHE QR 2 17 VAL QG 2.000 . 4.000 3.179 2.007 4.010 0.010 13 0 "[ . 1 . 2]" 2
32 1 16 MET ME 2 86 LEU QD 2.000 . 4.000 2.734 1.965 3.485 . 0 0 "[ . 1 . 2]" 2
33 1 16 MET QB 2 86 LEU QD 3.000 . 5.000 2.924 2.545 3.351 . 0 0 "[ . 1 . 2]" 2
34 1 16 MET HA 2 86 LEU QD 2.500 . 5.000 4.989 4.873 5.054 0.054 11 0 "[ . 1 . 2]" 2
35 1 16 MET ME 2 64 VAL QG 2.000 . 4.000 2.905 2.551 3.344 . 0 0 "[ . 1 . 2]" 2
36 1 9 ALA HA 2 35 LEU QD 2.500 . 5.000 4.672 3.997 5.003 0.003 20 0 "[ . 1 . 2]" 2
37 1 5 MET HA 2 17 VAL QG 2.000 . 4.000 4.040 4.008 4.129 0.129 19 0 "[ . 1 . 2]" 2
38 1 13 LEU QD 2 13 ALA MB 2.000 . 4.000 2.362 1.998 3.135 . 0 0 "[ . 1 . 2]" 2
39 1 10 VAL QG 2 13 ALA MB 2.500 . 5.000 2.525 1.641 3.576 . 0 0 "[ . 1 . 2]" 2
40 1 13 LEU QB 2 13 ALA MB 2.000 . 4.000 1.804 1.693 1.904 . 0 0 "[ . 1 . 2]" 2
41 1 10 VAL HA 2 13 ALA MB 2.000 . 4.000 2.447 1.887 3.329 . 0 0 "[ . 1 . 2]" 2
42 1 13 LEU HA 2 13 ALA MB 2.000 . 4.000 4.103 4.060 4.134 0.134 20 0 "[ . 1 . 2]" 2
43 1 20 ARG QB 2 87 PRO HA 2.000 . 4.000 3.115 1.702 3.911 . 0 0 "[ . 1 . 2]" 2
44 1 20 ARG QG 2 87 PRO HA 2.000 . 4.000 2.803 1.786 3.980 . 0 0 "[ . 1 . 2]" 2
45 1 20 ARG QD 2 87 PRO HA 2.500 . 5.000 4.244 3.504 4.881 . 0 0 "[ . 1 . 2]" 2
46 1 12 VAL QG 2 42 GLN HA 2.000 . 4.000 3.177 2.288 3.999 . 0 0 "[ . 1 . 2]" 2
47 1 12 VAL QG 2 38 LEU HA 2.000 . 4.000 2.857 2.519 3.266 . 0 0 "[ . 1 . 2]" 2
48 1 12 VAL QG 2 42 GLN QG 2.000 . 4.000 2.783 1.643 4.006 0.006 13 0 "[ . 1 . 2]" 2
49 1 12 VAL QG 2 41 TYR QE 2.000 . 4.000 3.464 2.524 4.029 0.029 19 0 "[ . 1 . 2]" 2
50 1 16 MET ME 2 41 TYR QE 2.000 . 4.000 3.145 1.850 3.978 . 0 0 "[ . 1 . 2]" 2
51 1 16 MET QB 2 41 TYR QE 2.500 . 5.000 3.370 2.490 4.426 . 0 0 "[ . 1 . 2]" 2
52 1 16 MET HA 2 41 TYR QE 2.500 . 5.000 4.772 4.043 5.052 0.052 1 0 "[ . 1 . 2]" 2
53 1 17 ALA MB 2 85 PHE QD 2.000 . 4.000 2.227 1.827 2.773 . 0 0 "[ . 1 . 2]" 2
54 1 12 VAL QG 2 41 TYR QD 2.000 . 4.000 2.310 1.907 2.712 . 0 0 "[ . 1 . 2]" 2
55 1 16 MET HA 2 87 PRO HA 2.000 . 4.000 4.036 3.898 4.094 0.094 1 0 "[ . 1 . 2]" 2
56 1 20 ARG HA 2 87 PRO HA 2.000 . 4.000 2.382 1.825 3.105 . 0 0 "[ . 1 . 2]" 2
57 1 17 ALA MB 2 85 PHE HA 2.000 . 4.000 2.752 2.025 4.005 0.005 15 0 "[ . 1 . 2]" 2
58 1 5 MET ME 2 36 GLU HA 2.000 . 4.000 3.699 2.980 4.069 0.069 11 0 "[ . 1 . 2]" 2
59 1 5 MET ME 2 36 GLU QG 2.000 . 4.000 3.945 3.616 4.060 0.060 5 0 "[ . 1 . 2]" 2
60 1 14 SER HA 2 9 GLU QG 2.000 . 4.000 2.910 1.980 4.059 0.059 1 0 "[ . 1 . 2]" 2
61 1 17 ALA MB 2 9 GLU QG 2.000 . 4.000 3.606 1.744 4.056 0.056 16 0 "[ . 1 . 2]" 2
62 1 16 MET ME 2 41 TYR QD 2.500 . 5.000 3.701 2.496 4.807 . 0 0 "[ . 1 . 2]" 2
63 1 13 LEU QD 2 85 PHE QD 2.000 . 4.000 3.335 2.774 4.029 0.029 5 0 "[ . 1 . 2]" 2
64 1 2 PHE QR 2 18 ASN QB 2.000 . 4.000 3.112 1.879 4.005 0.005 11 0 "[ . 1 . 2]" 2
65 1 2 PHE HA 2 21 LYS QE 2.500 . 5.000 4.492 3.135 5.019 0.019 5 0 "[ . 1 . 2]" 2
66 1 2 PHE QD 2 21 LYS QE 2.500 . 5.000 3.330 2.377 4.613 . 0 0 "[ . 1 . 2]" 2
67 1 14 SER HA 2 13 ALA MB 2.500 . 5.000 3.540 2.954 4.036 . 0 0 "[ . 1 . 2]" 2
68 1 18 ARG QG 2 8 VAL QG 2.500 . 5.000 4.157 3.076 5.035 0.035 4 0 "[ . 1 . 2]" 2
69 1 18 ARG QD 2 8 VAL QG 2.000 . 4.000 3.400 2.646 4.017 0.017 13 0 "[ . 1 . 2]" 2
70 1 18 ARG HA 2 8 VAL QG 2.000 . 4.000 4.018 3.915 4.060 0.060 18 0 "[ . 1 . 2]" 2
71 1 17 ALA MB 2 8 VAL QG 2.500 . 5.000 3.188 2.402 4.605 . 0 0 "[ . 1 . 2]" 2
72 1 13 LEU QB 2 38 LEU QD 2.500 . 4.000 4.047 3.928 4.102 0.102 1 0 "[ . 1 . 2]" 2
73 1 5 MET ME 2 39 HIS QB 2.000 . 4.000 2.714 1.752 3.651 . 0 0 "[ . 1 . 2]" 2
74 1 13 LEU QD 2 82 PHE QE 2.500 . 5.000 2.641 2.060 3.632 . 0 0 "[ . 1 . 2]" 2
75 1 13 LEU QB 2 82 PHE QE 2.500 . 5.000 3.182 2.456 3.818 . 0 0 "[ . 1 . 2]" 2
76 1 17 ALA MB 2 85 PHE QE 2.500 . 5.000 3.271 2.062 4.015 . 0 0 "[ . 1 . 2]" 2
77 1 12 VAL QG 2 39 HIS HA 2.500 . 5.000 3.542 2.310 4.625 . 0 0 "[ . 1 . 2]" 2
78 1 16 MET HA 2 87 PRO QD 2.500 . 5.000 3.080 2.257 3.399 . 0 0 "[ . 1 . 2]" 2
79 1 12 VAL HB 2 42 GLN QG 2.500 . 5.000 4.144 2.360 5.017 0.017 6 0 "[ . 1 . 2]" 2
80 1 12 VAL HB 2 38 LEU HA 2.500 . 5.000 4.854 4.323 5.064 0.064 17 0 "[ . 1 . 2]" 2
81 2 65 TYR HB3 2 65 TYR QD 2.600 . 3.500 2.145 2.047 2.289 . 0 0 "[ . 1 . 2]" 2
82 2 41 TYR QD 2 42 GLN HB2 3.500 . 5.000 3.612 3.269 4.131 . 0 0 "[ . 1 . 2]" 2
83 2 37 ILE MG 2 41 TYR QD 2.800 . 3.800 2.251 2.114 2.650 . 0 0 "[ . 1 . 2]" 2
84 2 20 ILE QG 2 31 TYR QD 3.500 . 5.100 2.987 2.806 3.167 . 0 0 "[ . 1 . 2]" 2
85 2 31 TYR QE 2 35 LEU HG 3.500 . 5.000 3.695 3.423 4.107 . 0 0 "[ . 1 . 2]" 2
86 2 16 TYR QE 2 20 ILE QG 3.000 . 4.100 3.244 2.688 3.651 . 0 0 "[ . 1 . 2]" 2
87 2 16 TYR QE 2 20 ILE MG 2.600 . 3.500 2.839 2.225 3.185 . 0 0 "[ . 1 . 2]" 2
88 2 16 TYR QE 2 17 VAL QG 3.100 . 4.300 3.450 3.021 3.886 . 0 0 "[ . 1 . 2]" 2
89 2 48 ALA MB 2 55 TYR QD 2.600 . 3.400 2.248 1.970 2.466 . 0 0 "[ . 1 . 2]" 2
90 2 71 LEU MD1 2 72 PHE QD 3.000 . 4.100 2.105 1.985 2.203 . 0 0 "[ . 1 . 2]" 2
91 2 30 ILE HB 2 72 PHE QD 3.200 . 4.500 4.041 3.405 4.492 . 0 0 "[ . 1 . 2]" 2
92 2 72 PHE QD 2 78 LEU HA 3.400 . 4.800 4.575 3.670 4.809 0.009 14 0 "[ . 1 . 2]" 2
93 2 64 VAL QG 2 82 PHE QE 2.700 . 3.600 2.175 1.858 2.435 . 0 0 "[ . 1 . 2]" 2
94 2 13 ALA HA 2 85 PHE QE 3.300 . 4.700 2.698 2.086 3.743 . 0 0 "[ . 1 . 2]" 2
95 2 30 ILE HB 2 72 PHE QE 3.400 . 4.900 3.715 3.070 3.900 . 0 0 "[ . 1 . 2]" 2
96 2 20 ILE MG 2 72 PHE QE 2.900 . 3.900 2.753 2.448 3.142 . 0 0 "[ . 1 . 2]" 2
97 2 20 ILE MG 2 24 PHE QE 3.000 . 4.100 2.988 2.043 3.591 . 0 0 "[ . 1 . 2]" 2
98 2 20 ILE MG 2 34 PHE QD 2.600 . 3.500 2.029 1.749 2.325 . 0 0 "[ . 1 . 2]" 2
99 2 20 ILE MG 2 72 PHE HZ 3.300 . 4.700 2.652 2.393 3.032 . 0 0 "[ . 1 . 2]" 2
100 2 55 TYR HA 2 55 TYR QE 3.900 . 5.800 4.315 4.214 4.407 . 0 0 "[ . 1 . 2]" 2
101 2 16 TYR HB3 2 16 TYR QE 3.200 . 4.500 3.178 2.736 3.730 . 0 0 "[ . 1 . 2]" 2
102 2 16 TYR HB2 2 16 TYR QE 3.700 . 5.400 4.025 3.319 4.395 . 0 0 "[ . 1 . 2]" 2
103 2 65 TYR QE 2 66 ALA MB 3.200 . 6.000 4.755 3.697 5.426 . 0 0 "[ . 1 . 2]" 2
104 2 21 LYS HA 2 31 TYR QE 3.400 . 4.800 3.241 2.627 3.723 . 0 0 "[ . 1 . 2]" 2
105 2 34 PHE QD 2 35 LEU QD 3.400 . 4.800 2.403 1.932 2.736 0.068 11 0 "[ . 1 . 2]" 2
106 2 20 ILE MG 2 34 PHE QE 3.100 . 4.300 3.690 3.436 4.071 . 0 0 "[ . 1 . 2]" 2
107 2 24 PHE QE 2 30 ILE MG 4.800 . 6.000 3.547 2.254 4.059 . 0 0 "[ . 1 . 2]" 2
108 2 16 TYR QD 2 20 ILE MD 3.000 . 4.100 2.920 1.979 3.543 . 0 0 "[ . 1 . 2]" 2
109 2 20 ILE MD 2 24 PHE QD 3.800 . 5.600 3.797 3.426 4.055 . 0 0 "[ . 1 . 2]" 2
110 2 16 TYR HB3 2 20 ILE MD 3.100 . 4.300 3.384 2.574 4.374 0.074 6 0 "[ . 1 . 2]" 2
111 2 17 VAL QG 2 20 ILE MD 3.200 . 4.500 3.800 3.273 4.256 . 0 0 "[ . 1 . 2]" 2
112 2 30 ILE MD 2 71 LEU HA 3.400 . 4.800 4.771 4.253 4.852 0.052 12 0 "[ . 1 . 2]" 2
113 2 34 PHE HB3 2 37 ILE MD 4.000 . 6.000 3.450 3.163 3.696 . 0 0 "[ . 1 . 2]" 2
114 2 19 LYS HD2 2 19 LYS HE3 2.000 . 2.500 1.827 1.749 1.910 . 0 0 "[ . 1 . 2]" 2
115 2 5 ASN HA 2 5 ASN HB3 2.400 . 3.100 2.212 2.129 2.353 . 0 0 "[ . 1 . 2]" 2
116 2 5 ASN HA 2 5 ASN HB2 2.400 . 3.100 2.230 2.139 2.349 . 0 0 "[ . 1 . 2]" 2
117 2 20 ILE MG 2 34 PHE HB3 3.300 . 4.600 2.907 2.239 3.126 . 0 0 "[ . 1 . 2]" 2
118 2 47 ASN HB3 2 48 ALA MB 3.500 . 5.000 3.662 3.332 3.969 . 0 0 "[ . 1 . 2]" 2
119 2 20 ILE HB 2 20 ILE MG 2.200 . 2.800 1.897 1.896 1.898 . 0 0 "[ . 1 . 2]" 2
120 2 20 ILE H 2 20 ILE HB 2.900 . 6.000 1.944 1.896 2.010 . 0 0 "[ . 1 . 2]" 2
121 2 64 VAL QG 2 65 TYR HB3 3.500 . 5.000 3.698 3.268 4.130 . 0 0 "[ . 1 . 2]" 2
122 2 64 VAL QG 2 65 TYR HB2 3.600 . 5.200 2.651 2.019 3.142 . 0 0 "[ . 1 . 2]" 2
123 2 19 LYS HE3 2 78 LEU HA 3.400 . 4.800 4.520 3.628 5.569 0.769 20 2 "[ .- 1 . +]" 2
124 2 22 ASN HA 2 22 ASN HB3 2.200 . 2.800 2.501 2.270 2.696 . 0 0 "[ . 1 . 2]" 2
125 2 44 GLU QB 2 44 GLU HG3 1.700 . 2.200 1.819 1.781 1.902 . 0 0 "[ . 1 . 2]" 2
126 2 37 ILE MG 2 44 GLU HG3 3.300 . 4.600 3.082 1.989 4.338 0.011 12 0 "[ . 1 . 2]" 2
127 2 17 VAL HA 2 20 ILE QG 3.900 . 5.800 3.431 2.757 4.061 . 0 0 "[ . 1 . 2]" 2
128 2 20 ILE MG 2 34 PHE HB3 3.200 . 4.500 4.060 3.817 4.323 . 0 0 "[ . 1 . 2]" 2
129 2 44 GLU HG2 2 59 LEU HB2 2.900 . 3.900 2.297 1.819 3.791 0.081 16 0 "[ . 1 . 2]" 2
130 2 44 GLU HG2 2 59 LEU HB3 2.900 . 3.900 2.795 1.739 3.233 0.161 11 0 "[ . 1 . 2]" 2
131 2 43 LYS HG2 2 44 GLU HG2 3.300 . 4.600 3.262 2.264 3.761 . 0 0 "[ . 1 . 2]" 2
132 2 44 GLU HA 2 44 GLU HG2 2.500 . 3.300 2.626 2.292 2.852 . 0 0 "[ . 1 . 2]" 2
133 2 32 LYS QG 2 36 GLU QG 3.000 . 4.100 2.835 2.253 3.927 . 0 0 "[ . 1 . 2]" 2
134 2 32 LYS HD3 2 36 GLU QG 2.800 . 6.000 4.073 3.359 4.960 . 0 0 "[ . 1 . 2]" 2
135 2 37 ILE MG 2 64 VAL HA 2.400 . 3.100 1.921 1.790 1.999 . 0 0 "[ . 1 . 2]" 2
136 2 63 GLU HB3 2 64 VAL HA 3.900 . 5.800 3.842 3.763 3.975 . 0 0 "[ . 1 . 2]" 2
137 2 37 ILE MD 2 68 VAL HA 3.000 . 4.100 2.649 2.528 2.770 . 0 0 "[ . 1 . 2]" 2
138 2 64 VAL QG 2 68 VAL HA 3.200 . 4.500 3.470 2.360 3.782 . 0 0 "[ . 1 . 2]" 2
139 2 68 VAL HA 2 68 VAL HB 3.000 . 4.100 2.462 2.162 2.905 . 0 0 "[ . 1 . 2]" 2
140 2 37 ILE MG 2 67 GLN HG3 4.000 . 6.000 3.909 3.173 4.231 . 0 0 "[ . 1 . 2]" 2
141 2 37 ILE MG 2 67 GLN HG2 3.900 . 5.800 4.636 3.847 5.010 . 0 0 "[ . 1 . 2]" 2
142 2 27 GLN HG2 2 30 ILE HB 3.300 . 4.600 2.990 2.041 3.941 . 0 0 "[ . 1 . 2]" 2
143 2 3 GLN HB2 2 3 GLN QG 2.200 . 2.800 2.028 1.919 2.091 . 0 0 "[ . 1 . 2]" 2
144 2 3 GLN HB3 2 3 GLN QG 2.000 . 2.500 2.010 1.916 2.088 . 0 0 "[ . 1 . 2]" 2
145 2 37 ILE HA 2 38 LEU HB2 4.000 . 6.000 4.452 4.252 4.726 . 0 0 "[ . 1 . 2]" 2
146 2 57 PRO HB3 2 57 PRO QD 3.300 . 4.700 3.247 2.809 3.326 . 0 0 "[ . 1 . 2]" 2
147 2 57 PRO HA 2 57 PRO HB3 2.000 . 2.500 2.049 2.034 2.057 . 0 0 "[ . 1 . 2]" 2
148 2 29 ASP HA 2 32 LYS HB3 2.300 . 3.000 2.757 2.637 2.957 . 0 0 "[ . 1 . 2]" 2
149 2 57 PRO HB3 2 57 PRO HG2 1.800 . 2.200 2.095 2.086 2.139 . 0 0 "[ . 1 . 2]" 2
150 2 43 LYS HB3 2 43 LYS HG3 2.000 . 2.500 2.027 1.973 2.052 . 0 0 "[ . 1 . 2]" 2
151 2 19 LYS HA 2 19 LYS QB 2.200 . 2.800 2.046 1.993 2.112 . 0 0 "[ . 1 . 2]" 2
152 2 30 ILE HA 2 30 ILE MD 2.700 . 3.600 2.794 1.976 3.624 0.024 7 0 "[ . 1 . 2]" 2
153 2 30 ILE HA 2 30 ILE HB 2.400 . 3.100 2.163 2.089 2.402 . 0 0 "[ . 1 . 2]" 2
154 2 32 LYS QB 2 35 LEU QD 3.400 . 4.800 4.026 3.573 4.618 . 0 0 "[ . 1 . 2]" 2
155 2 65 TYR QD 2 68 VAL HB 3.800 . 5.600 3.678 2.967 4.131 . 0 0 "[ . 1 . 2]" 2
156 2 37 ILE MG 2 68 VAL HB 3.400 . 4.800 3.545 3.358 3.693 . 0 0 "[ . 1 . 2]" 2
157 2 46 ARG HA 2 46 ARG QB 2.300 . 2.900 2.111 2.008 2.141 . 0 0 "[ . 1 . 2]" 2
158 2 3 GLN HB2 2 3 GLN QG 2.000 . 2.500 1.922 1.856 1.983 . 0 0 "[ . 1 . 2]" 2
159 2 3 GLN HA 2 3 GLN HB2 2.500 . 3.300 2.403 2.124 2.707 . 0 0 "[ . 1 . 2]" 2
160 2 37 ILE MD 2 65 TYR HA 3.800 . 5.600 3.068 2.810 3.306 . 0 0 "[ . 1 . 2]" 2
161 2 61 GLU HA 2 64 VAL QG 2.900 . 4.000 2.735 2.091 3.112 . 0 0 "[ . 1 . 2]" 2
162 2 61 GLU HA 2 61 GLU HB3 2.400 . 3.100 2.378 2.253 2.472 . 0 0 "[ . 1 . 2]" 2
163 2 34 PHE HA 2 37 ILE MG 3.200 . 4.500 3.568 3.421 3.645 . 0 0 "[ . 1 . 2]" 2
164 2 64 VAL QG 2 82 PHE HA 4.600 . 6.000 5.087 4.242 5.349 . 0 0 "[ . 1 . 2]" 2
165 2 75 GLN HB3 2 76 GLU HA 3.100 . 4.300 4.063 2.164 4.533 0.233 13 0 "[ . 1 . 2]" 2
166 2 20 ILE QG 2 20 ILE MG 2.500 . 3.300 2.079 2.044 2.120 . 0 0 "[ . 1 . 2]" 2
167 2 17 VAL HA 2 20 ILE QG 3.600 . 5.300 3.560 2.757 4.188 . 0 0 "[ . 1 . 2]" 2
168 2 73 LYS HA 2 73 LYS QB 2.000 . 2.500 2.275 2.159 2.375 . 0 0 "[ . 1 . 2]" 2
169 2 25 GLN HA 2 25 GLN QG 2.400 . 3.100 2.508 2.201 3.112 0.012 8 0 "[ . 1 . 2]" 2
170 2 44 GLU HA 2 44 GLU HG3 2.600 . 3.500 2.924 2.384 3.406 . 0 0 "[ . 1 . 2]" 2
171 2 46 ARG HA 2 46 ARG HG2 2.500 . 3.300 2.415 2.229 3.299 . 0 0 "[ . 1 . 2]" 2
172 2 46 ARG HA 2 46 ARG QB 1.900 . 2.200 1.972 1.904 2.001 . 0 0 "[ . 1 . 2]" 2
173 2 35 LEU HB2 2 36 GLU HA 4.100 . 6.000 3.638 3.582 3.730 . 0 0 "[ . 1 . 2]" 2
174 2 23 ARG HG3 2 25 GLN HA 3.500 . 5.000 4.258 3.671 4.509 . 0 0 "[ . 1 . 2]" 2
175 2 20 ILE MG 2 25 GLN HA 3.600 . 5.200 4.022 3.581 4.164 . 0 0 "[ . 1 . 2]" 2
176 2 21 LYS HA 2 25 GLN HA 3.500 . 5.100 4.002 3.513 4.615 . 0 0 "[ . 1 . 2]" 2
177 2 49 LYS HA 2 49 LYS QB 2.400 . 3.100 2.286 2.059 2.376 . 0 0 "[ . 1 . 2]" 2
178 2 37 ILE MG 2 38 LEU HA 3.500 . 5.100 3.009 2.804 3.130 . 0 0 "[ . 1 . 2]" 2
179 2 35 LEU HA 2 35 LEU QD 3.000 . 4.100 2.061 1.878 2.451 0.022 7 0 "[ . 1 . 2]" 2
180 2 30 ILE QG 2 71 LEU HA 3.300 . 4.700 3.911 3.621 4.668 . 0 0 "[ . 1 . 2]" 2
181 2 18 ASN HA 2 21 LYS HB3 2.700 . 3.600 2.436 2.162 3.236 . 0 0 "[ . 1 . 2]" 2
182 2 17 VAL HB 2 18 ASN HA 3.500 . 5.100 2.627 2.314 3.047 . 0 0 "[ . 1 . 2]" 2
183 2 48 ALA HA 2 48 ALA MB 2.100 . 2.700 2.062 2.014 2.107 . 0 0 "[ . 1 . 2]" 2
184 2 27 GLN HA 2 27 GLN HB2 3.000 . 4.100 2.777 2.448 2.983 . 0 0 "[ . 1 . 2]" 2
185 2 48 ALA MB 2 54 ASN HA 4.300 . 6.000 5.630 5.282 5.840 . 0 0 "[ . 1 . 2]" 2
186 2 28 PRO HA 2 28 PRO HG2 3.500 . 5.000 3.631 3.620 3.645 . 0 0 "[ . 1 . 2]" 2
187 2 57 PRO HA 2 57 PRO HG2 3.500 . 5.000 2.795 2.686 3.149 . 0 0 "[ . 1 . 2]" 2
188 2 57 PRO HD3 2 57 PRO HG2 2.100 . 2.600 2.100 2.090 2.141 . 0 0 "[ . 1 . 2]" 2
189 2 57 PRO HG2 2 60 THR MG 3.400 . 4.900 3.750 3.288 4.381 . 0 0 "[ . 1 . 2]" 2
190 2 57 PRO HB3 2 57 PRO HG3 2.300 . 3.000 2.230 2.126 2.251 . 0 0 "[ . 1 . 2]" 2
191 2 75 GLN QB 2 76 GLU HA 3.300 . 4.600 3.825 2.161 4.209 . 0 0 "[ . 1 . 2]" 2
192 2 46 ARG QB 2 46 ARG HG2 1.800 . 2.200 2.082 1.975 2.125 . 0 0 "[ . 1 . 2]" 2
193 2 25 GLN HB3 2 25 GLN QG 1.900 . 2.400 2.118 2.010 2.272 . 0 0 "[ . 1 . 2]" 2
194 2 3 GLN HA 2 3 GLN HB3 2.900 . 4.000 2.375 2.179 2.610 . 0 0 "[ . 1 . 2]" 2
195 2 32 LYS QD 2 32 LYS QE 2.100 . 2.700 1.863 1.790 1.932 . 0 0 "[ . 1 . 2]" 2
196 2 44 GLU HB2 2 44 GLU HG2 1.800 . 2.200 1.849 1.785 1.934 . 0 0 "[ . 1 . 2]" 2
197 2 71 LEU HG 2 72 PHE QD 3.500 . 5.100 4.183 3.449 4.943 . 0 0 "[ . 1 . 2]" 2
198 2 71 LEU HG 2 72 PHE QE 3.800 . 5.600 4.023 3.151 4.588 . 0 0 "[ . 1 . 2]" 2
199 2 19 LYS HE3 2 19 LYS HG3 2.900 . 3.900 2.266 1.976 2.703 . 0 0 "[ . 1 . 2]" 2
200 2 16 TYR QD 2 17 VAL QG 3.000 . 4.100 2.886 2.393 3.869 . 0 0 "[ . 1 . 2]" 2
201 2 14 ILE HA 2 17 VAL QG 3.500 . 6.000 1.874 1.687 1.989 . 0 0 "[ . 1 . 2]" 2
202 2 16 TYR HB2 2 17 VAL QG 3.700 . 5.400 2.906 2.243 3.839 . 0 0 "[ . 1 . 2]" 2
203 2 16 TYR HB3 2 17 VAL QG 2.600 . 3.400 2.086 2.067 2.258 . 0 0 "[ . 1 . 2]" 2
204 2 41 TYR QD 2 59 LEU QD 3.500 . 5.000 2.603 1.965 2.837 0.035 11 0 "[ . 1 . 2]" 2
205 2 2 LEU HA 2 2 LEU MD1 2.900 . 3.900 1.864 1.719 2.187 0.181 10 0 "[ . 1 . 2]" 2
206 2 2 LEU HA 2 2 LEU MD1 2.500 . 3.300 2.079 1.848 2.570 . 0 0 "[ . 1 . 2]" 2
207 2 1 SER HB3 2 2 LEU MD1 2.800 . 3.800 2.700 2.272 2.998 . 0 0 "[ . 1 . 2]" 2
208 2 43 LYS QB 2 43 LYS HG3 2.100 . 2.600 1.936 1.886 1.970 . 0 0 "[ . 1 . 2]" 2
209 2 43 LYS HB3 2 43 LYS HG3 2.100 . 2.700 2.239 2.111 2.348 . 0 0 "[ . 1 . 2]" 2
210 2 19 LYS HE3 2 19 LYS HG3 3.000 . 4.100 2.517 2.097 3.227 . 0 0 "[ . 1 . 2]" 2
211 2 19 LYS QD 2 19 LYS HG3 1.900 . 2.400 2.029 1.938 2.136 . 0 0 "[ . 1 . 2]" 2
212 2 33 ALA HA 2 36 GLU QG 2.700 . 3.600 2.379 2.227 2.627 . 0 0 "[ . 1 . 2]" 2
213 2 46 ARG HA 2 46 ARG HG3 2.500 . 3.300 3.006 2.661 3.451 0.151 10 0 "[ . 1 . 2]" 2
214 2 25 GLN HA 2 25 GLN HB2 1.900 . 2.400 2.189 2.154 2.212 . 0 0 "[ . 1 . 2]" 2
215 2 57 PRO HA 2 57 PRO HG2 2.700 . 3.600 2.871 2.738 3.282 . 0 0 "[ . 1 . 2]" 2
216 2 25 GLN HA 2 25 GLN HB2 2.200 . 2.800 2.164 2.143 2.189 . 0 0 "[ . 1 . 2]" 2
217 2 28 PRO HB3 2 28 PRO HG3 1.900 . 2.300 1.966 1.957 1.972 . 0 0 "[ . 1 . 2]" 2
218 2 32 LYS QD 2 32 LYS QG 2.100 . 2.600 1.928 1.854 1.980 . 0 0 "[ . 1 . 2]" 2
219 2 33 ALA HA 2 36 GLU HB2 2.100 . 2.600 2.210 2.125 2.267 . 0 0 "[ . 1 . 2]" 2
220 2 3 GLN HB3 2 3 GLN QG 1.700 . 2.200 1.583 1.558 1.607 . 0 0 "[ . 1 . 2]" 2
221 2 19 LYS QD 2 19 LYS HG3 1.700 . 2.200 1.902 1.854 1.978 . 0 0 "[ . 1 . 2]" 2
222 2 33 ALA MB 2 36 GLU QB 3.000 . 4.100 3.728 3.564 3.869 . 0 0 "[ . 1 . 2]" 2
223 2 33 ALA MB 2 36 GLU QG 3.100 . 4.300 3.642 2.904 3.938 . 0 0 "[ . 1 . 2]" 2
224 2 28 PRO HD3 2 28 PRO HG2 2.400 . 3.100 2.133 2.130 2.136 . 0 0 "[ . 1 . 2]" 2
225 2 27 GLN HG3 2 28 PRO HD2 4.000 . 6.000 3.581 3.275 3.814 . 0 0 "[ . 1 . 2]" 2
226 2 48 ALA MB 2 55 TYR HA 4.100 . 6.000 4.437 3.471 4.820 . 0 0 "[ . 1 . 2]" 2
227 2 44 GLU HA 2 48 ALA MB 3.400 . 4.900 3.634 3.571 3.688 . 0 0 "[ . 1 . 2]" 2
228 2 16 TYR QE 2 20 ILE MG 3.100 . 4.300 3.150 2.878 3.433 . 0 0 "[ . 1 . 2]" 2
229 2 20 ILE H 2 20 ILE MG 2.500 . 6.000 1.924 1.821 1.976 . 0 0 "[ . 1 . 2]" 2
230 2 20 ILE MG 2 34 PHE HB2 3.300 . 4.700 3.211 2.976 3.337 . 0 0 "[ . 1 . 2]" 2
231 2 20 ILE MG 2 24 PHE HB3 3.200 . 4.500 3.115 3.000 3.245 . 0 0 "[ . 1 . 2]" 2
232 2 20 ILE QG 2 20 ILE MG 2.100 . 2.700 2.184 2.105 2.243 . 0 0 "[ . 1 . 2]" 2
233 2 17 VAL QG 2 31 TYR QD 3.600 . 5.200 3.722 3.388 4.158 . 0 0 "[ . 1 . 2]" 2
234 2 31 TYR QD 2 35 LEU QD 3.300 . 4.700 2.876 2.717 2.999 . 0 0 "[ . 1 . 2]" 2
235 2 16 TYR QE 2 38 LEU QD 3.700 . 5.400 2.976 2.636 3.299 . 0 0 "[ . 1 . 2]" 2
236 2 13 ALA HA 2 16 TYR HB3 3.200 . 4.500 2.327 2.218 2.416 . 0 0 "[ . 1 . 2]" 2
237 2 41 TYR HA 2 44 GLU HG3 2.600 . 3.500 3.033 2.143 3.587 0.087 11 0 "[ . 1 . 2]" 2
238 2 62 GLN HA 2 64 VAL QG 3.400 . 4.900 4.297 3.674 4.587 . 0 0 "[ . 1 . 2]" 2
239 2 27 GLN HB2 2 30 ILE HB 3.100 . 4.300 3.544 2.763 4.255 . 0 0 "[ . 1 . 2]" 2
240 2 38 LEU HB3 2 38 LEU QD 2.400 . 3.100 1.973 1.889 2.123 . 0 0 "[ . 1 . 2]" 2
241 2 38 LEU H 2 38 LEU QD 3.000 . 6.000 1.789 1.571 2.266 . 0 0 "[ . 1 . 2]" 2
242 2 34 PHE QD 2 38 LEU QD 2.900 . 4.000 2.542 2.417 2.734 . 0 0 "[ . 1 . 2]" 2
243 2 19 LYS HE3 2 78 LEU QD 3.100 . 4.300 3.472 2.615 3.808 . 0 0 "[ . 1 . 2]" 2
244 2 20 ILE HA 2 78 LEU QD 3.300 . 4.700 3.415 2.929 3.748 . 0 0 "[ . 1 . 2]" 2
245 2 41 TYR HB2 2 64 VAL QG 2.700 . 3.600 2.398 2.218 2.576 . 0 0 "[ . 1 . 2]" 2
246 2 41 TYR HB3 2 64 VAL QG 2.900 . 4.000 3.319 3.011 3.511 . 0 0 "[ . 1 . 2]" 2
247 2 70 ARG HA 2 79 LEU QD 2.700 . 3.600 2.737 2.268 3.223 . 0 0 "[ . 1 . 2]" 2
248 2 41 TYR QE 2 64 VAL QG 2.800 . 3.800 2.071 1.961 2.155 . 0 0 "[ . 1 . 2]" 2
249 2 41 TYR QD 2 64 VAL QG 2.600 . 3.500 2.204 1.992 2.556 . 0 0 "[ . 1 . 2]" 2
250 2 64 VAL QG 2 82 PHE QD 3.400 . 4.800 3.289 3.067 3.430 . 0 0 "[ . 1 . 2]" 2
251 2 64 VAL QG 2 68 VAL QG 3.300 . 4.600 1.780 1.745 1.832 0.255 4 0 "[ . 1 . 2]" 2
252 2 64 VAL HB 2 64 VAL QG 2.000 . 2.500 1.805 1.758 1.830 . 0 0 "[ . 1 . 2]" 2
253 2 65 TYR QD 2 68 VAL QG 3.000 . 4.100 3.075 2.645 3.518 . 0 0 "[ . 1 . 2]" 2
254 2 34 PHE HA 2 68 VAL QG 3.400 . 4.800 2.912 2.779 2.993 . 0 0 "[ . 1 . 2]" 2
255 2 37 ILE MG 2 68 VAL QG 2.200 . 2.800 2.413 2.310 2.544 . 0 0 "[ . 1 . 2]" 2
256 2 37 ILE HB 2 68 VAL QG 3.800 . 5.600 3.466 3.311 3.611 . 0 0 "[ . 1 . 2]" 2
257 2 41 TYR QE 2 86 LEU QD 3.400 . 4.800 4.338 3.929 4.553 . 0 0 "[ . 1 . 2]" 2
258 2 34 PHE QD 2 71 LEU MD1 2.900 . 4.000 3.223 2.412 3.728 . 0 0 "[ . 1 . 2]" 2
259 2 65 TYR QD 2 86 LEU QD 2.600 . 3.500 2.318 1.790 2.771 0.010 11 0 "[ . 1 . 2]" 2
260 2 61 GLU HB2 2 86 LEU QD 2.700 . 3.600 3.005 1.969 3.493 . 0 0 "[ . 1 . 2]" 2
261 2 30 ILE HA 2 71 LEU MD1 2.600 . 3.400 2.437 1.971 2.785 . 0 0 "[ . 1 . 2]" 2
262 2 65 TYR QE 2 86 LEU QD 3.100 . 4.300 3.048 2.407 3.639 . 0 0 "[ . 1 . 2]" 2
263 2 62 GLN HA 2 86 LEU QD 3.200 . 4.500 3.509 3.107 3.873 . 0 0 "[ . 1 . 2]" 2
264 2 61 GLU HA 2 86 LEU QD 3.600 . 5.200 2.685 2.074 3.402 . 0 0 "[ . 1 . 2]" 2
265 2 34 PHE QD 2 71 LEU MD1 3.000 . 4.100 3.165 2.406 3.635 . 0 0 "[ . 1 . 2]" 2
266 2 16 TYR QD 2 38 LEU QD 3.800 . 5.600 4.022 3.655 4.576 . 0 0 "[ . 1 . 2]" 2
267 2 24 PHE QE 2 78 LEU QD 2.900 . 4.000 2.038 1.821 2.396 . 0 0 "[ . 1 . 2]" 2
268 2 38 LEU QD 2 82 PHE HZ 2.900 . 4.000 2.394 2.004 3.095 . 0 0 "[ . 1 . 2]" 2
269 2 34 PHE HA 2 64 VAL QG 3.700 . 5.400 3.056 2.807 3.291 . 0 0 "[ . 1 . 2]" 2
270 2 37 ILE HA 2 64 VAL QG 3.500 . 5.000 3.323 2.983 3.560 . 0 0 "[ . 1 . 2]" 2
271 2 59 LEU QD 2 68 VAL QG 3.200 . 4.500 1.898 1.875 1.954 0.025 20 0 "[ . 1 . 2]" 2
272 2 35 LEU HB2 2 68 VAL QG 3.700 . 5.400 3.984 3.655 4.099 . 0 0 "[ . 1 . 2]" 2
273 2 2 LEU HB3 2 2 LEU MD1 1.900 . 2.400 1.708 1.666 1.753 . 0 0 "[ . 1 . 2]" 2
274 2 59 LEU HB2 2 59 LEU QD 2.300 . 2.900 1.904 1.848 2.094 . 0 0 "[ . 1 . 2]" 2
275 2 32 LYS QB 2 32 LYS QG 2.100 . 2.700 1.945 1.888 1.975 . 0 0 "[ . 1 . 2]" 2
276 2 32 LYS QB 2 32 LYS QG 2.000 . 2.500 1.948 1.878 2.019 . 0 0 "[ . 1 . 2]" 2
277 2 16 TYR HH 2 78 LEU QD 3.200 . 6.000 1.866 1.559 2.298 . 0 0 "[ . 1 . 2]" 2
278 2 19 LYS HE3 2 78 LEU QD 3.400 . 4.800 3.912 2.645 4.710 . 0 0 "[ . 1 . 2]" 2
279 2 21 LYS HB2 2 21 LYS HG2 2.100 . 2.600 2.497 1.838 2.726 0.126 6 0 "[ . 1 . 2]" 2
280 2 57 PRO HG2 2 60 THR MG 3.200 . 4.500 3.642 3.273 4.196 . 0 0 "[ . 1 . 2]" 2
281 2 57 PRO HB3 2 60 THR MG 3.100 . 4.300 3.703 3.472 4.103 . 0 0 "[ . 1 . 2]" 2
282 2 20 ILE MG 2 34 PHE HB2 3.100 . 4.300 3.678 3.486 4.043 . 0 0 "[ . 1 . 2]" 2
283 2 37 ILE MD 2 68 VAL HB 3.800 . 5.600 3.479 3.306 3.617 . 0 0 "[ . 1 . 2]" 2
284 2 23 ARG HB3 2 24 PHE HB2 3.800 . 5.600 3.408 2.291 4.249 . 0 0 "[ . 1 . 2]" 2
285 2 70 ARG HA 2 79 LEU HG 2.900 . 6.000 4.424 4.103 4.914 . 0 0 "[ . 1 . 2]" 2
286 2 1 SER HA 2 2 LEU MD1 3.300 . 4.600 4.528 3.105 5.268 0.668 10 1 "[ . + . 2]" 2
287 2 18 ASN HA 2 19 LYS HG3 4.400 . 6.000 4.584 4.150 4.896 . 0 0 "[ . 1 . 2]" 2
288 2 30 ILE HA 2 71 LEU MD1 2.600 . 3.400 2.666 2.238 3.193 . 0 0 "[ . 1 . 2]" 2
289 2 21 LYS HA 2 21 LYS HG2 2.900 . 4.000 1.926 1.824 2.085 . 0 0 "[ . 1 . 2]" 2
290 2 21 LYS HG2 2 25 GLN HB2 3.300 . 4.600 3.335 2.859 3.572 . 0 0 "[ . 1 . 2]" 2
291 2 37 ILE MG 2 67 GLN HB2 3.100 . 4.300 2.889 2.672 3.109 . 0 0 "[ . 1 . 2]" 2
292 2 37 ILE MG 2 67 GLN HB2 3.300 . 4.600 2.623 1.945 3.010 0.055 12 0 "[ . 1 . 2]" 2
293 2 36 GLU QB 2 37 ILE MG 3.000 . 4.100 2.853 2.763 2.982 . 0 0 "[ . 1 . 2]" 2
294 2 31 TYR QD 2 34 PHE HB2 4.600 . 6.000 4.160 4.030 4.320 . 0 0 "[ . 1 . 2]" 2
295 2 51 ALA MB 2 52 GLY HA3 3.900 . 5.800 3.956 3.543 4.243 . 0 0 "[ . 1 . 2]" 2
296 2 48 ALA MB 2 53 GLY HA2 3.900 . 5.800 3.821 3.547 3.939 . 0 0 "[ . 1 . 2]" 2
297 2 48 ALA MB 2 49 LYS HB2 3.000 . 4.100 2.061 1.976 2.292 . 0 0 "[ . 1 . 2]" 2
298 2 45 GLN HB2 2 48 ALA MB 3.000 . 4.200 4.110 3.901 4.240 0.040 18 0 "[ . 1 . 2]" 2
299 2 47 ASN HA 2 48 ALA MB 3.600 . 5.200 4.867 4.840 4.922 . 0 0 "[ . 1 . 2]" 2
300 1 9 ALA HA 1 12 VAL QG 3.600 . 5.200 2.302 1.908 2.920 0.092 11 0 "[ . 1 . 2]" 2
301 1 9 ALA HA 1 12 VAL HB 3.300 . 4.700 3.829 3.015 4.745 0.045 17 0 "[ . 1 . 2]" 2
302 1 17 ALA HA 1 18 ARG HG3 4.000 . 6.000 4.997 3.011 5.920 . 0 0 "[ . 1 . 2]" 2
303 1 16 MET HA 1 18 ARG HB2 4.100 . 6.000 4.507 3.481 5.147 . 0 0 "[ . 1 . 2]" 2
304 1 20 ARG HA 1 20 ARG HB3 2.000 . 2.500 2.327 2.169 2.694 0.194 1 0 "[ . 1 . 2]" 2
305 1 20 ARG HA 1 20 ARG QG 2.200 . 2.800 2.312 2.143 2.796 . 0 0 "[ . 1 . 2]" 2
306 1 14 SER HA 1 17 ALA MB 3.100 . 4.300 3.053 2.512 3.511 . 0 0 "[ . 1 . 2]" 2
307 1 18 ARG HB2 1 18 ARG QD 2.600 . 3.400 2.408 2.047 3.028 . 0 0 "[ . 1 . 2]" 2
308 1 18 ARG QD 1 18 ARG HG3 2.500 . 3.300 2.237 2.113 2.353 . 0 0 "[ . 1 . 2]" 2
309 1 18 ARG HD3 1 18 ARG HG2 2.100 . 2.600 1.968 1.905 2.054 . 0 0 "[ . 1 . 2]" 2
310 1 9 ALA MB 1 13 LEU MD2 2.900 . 3.900 3.204 2.113 3.838 . 0 0 "[ . 1 . 2]" 2
311 1 9 ALA MB 1 13 LEU MD1 2.900 . 4.000 3.136 2.387 3.970 . 0 0 "[ . 1 . 2]" 2
312 2 52 GLY HA2 2 53 GLY H 2.300 . 2.900 2.500 2.151 2.736 . 0 0 "[ . 1 . 2]" 2
313 2 52 GLY HA3 2 53 GLY H 2.300 . 3.000 2.583 2.292 2.809 . 0 0 "[ . 1 . 2]" 2
314 2 25 GLN QG 2 26 GLY H 3.400 . 4.800 2.710 2.006 3.780 . 0 0 "[ . 1 . 2]" 2
315 2 24 PHE HB2 2 25 GLN H 3.100 . 4.300 3.287 1.872 3.689 0.028 19 0 "[ . 1 . 2]" 2
316 2 40 THR H 2 41 TYR H 3.000 . 4.200 2.365 2.293 2.452 . 0 0 "[ . 1 . 2]" 2
317 2 78 LEU HA 2 79 LEU H 3.100 . 4.300 2.701 2.683 2.724 . 0 0 "[ . 1 . 2]" 2
318 2 75 GLN QB 2 79 LEU H 3.500 . 5.000 3.692 2.087 4.238 . 0 0 "[ . 1 . 2]" 2
319 2 41 TYR H 2 59 LEU QD 3.600 . 5.200 2.650 2.260 3.076 . 0 0 "[ . 1 . 2]" 2
320 2 46 ARG QB 2 48 ALA H 3.200 . 4.500 3.977 3.870 4.217 . 0 0 "[ . 1 . 2]" 2
321 2 45 GLN HA 2 48 ALA H 2.400 . 3.100 2.734 2.698 2.765 . 0 0 "[ . 1 . 2]" 2
322 2 44 GLU HA 2 48 ALA H 3.500 . 5.000 3.903 3.666 4.085 . 0 0 "[ . 1 . 2]" 2
323 2 30 ILE H 2 30 ILE HA 2.600 . 3.500 2.515 2.496 2.533 . 0 0 "[ . 1 . 2]" 2
324 2 30 ILE H 2 30 ILE MD 3.800 . 5.600 3.289 3.053 3.335 . 0 0 "[ . 1 . 2]" 2
325 2 20 ILE MG 2 33 ALA H 3.400 . 4.800 4.285 3.763 4.549 . 0 0 "[ . 1 . 2]" 2
326 2 59 LEU HA 2 63 GLU H 3.900 . 5.800 4.077 3.934 4.274 . 0 0 "[ . 1 . 2]" 2
327 2 62 GLN HB3 2 63 GLU H 2.300 . 3.000 2.611 2.261 2.784 . 0 0 "[ . 1 . 2]" 2
328 2 64 VAL QG 2 69 ALA H 3.700 . 5.400 3.262 3.135 3.565 . 0 0 "[ . 1 . 2]" 2
329 2 48 ALA HA 2 55 TYR H 3.300 . 4.700 3.462 2.912 4.392 . 0 0 "[ . 1 . 2]" 2
330 2 48 ALA HA 2 51 ALA H 3.700 . 5.400 3.467 3.299 3.768 . 0 0 "[ . 1 . 2]" 2
331 2 49 LYS HA 2 51 ALA H 2.700 . 3.600 3.381 3.280 3.504 . 0 0 "[ . 1 . 2]" 2
332 2 59 LEU HB3 2 64 VAL H 4.800 . 6.000 3.799 3.442 4.280 . 0 0 "[ . 1 . 2]" 2
333 2 6 GLN H 2 6 GLN HB2 3.000 . 4.100 2.265 2.116 2.448 . 0 0 "[ . 1 . 2]" 2
334 2 6 GLN H 2 6 GLN HG2 2.700 . 3.600 3.085 1.923 3.600 0.000 20 0 "[ . 1 . 2]" 2
335 2 59 LEU HA 2 64 VAL H 3.300 . 4.700 4.426 4.097 4.714 0.014 11 0 "[ . 1 . 2]" 2
336 2 34 PHE H 2 34 PHE HA 2.600 . 3.400 2.483 2.467 2.503 . 0 0 "[ . 1 . 2]" 2
337 2 80 SER HA 2 81 GLU H 3.300 . 4.600 3.369 3.301 3.430 . 0 0 "[ . 1 . 2]" 2
338 2 80 SER QB 2 81 GLU H 2.400 . 3.100 2.113 2.016 2.316 . 0 0 "[ . 1 . 2]" 2
339 2 81 GLU H 2 81 GLU HG3 3.900 . 5.800 3.396 2.097 4.123 . 0 0 "[ . 1 . 2]" 2
340 2 81 GLU H 2 81 GLU QB 3.200 . 3.300 2.223 2.111 2.335 . 0 0 "[ . 1 . 2]" 2
341 2 73 LYS H 2 73 LYS QB 2.600 . 3.500 2.589 2.399 3.271 . 0 0 "[ . 1 . 2]" 2
342 2 77 ASP HA 2 78 LEU H 2.900 . 4.000 2.716 2.679 2.739 . 0 0 "[ . 1 . 2]" 2
343 2 70 ARG HG2 2 71 LEU H 3.200 . 4.500 3.975 3.718 4.295 . 0 0 "[ . 1 . 2]" 2
344 2 70 ARG HA 2 71 LEU H 2.800 . 3.700 2.682 2.662 2.702 . 0 0 "[ . 1 . 2]" 2
345 2 74 ASN HA 2 75 GLN H 2.600 . 3.400 2.725 2.625 2.779 . 0 0 "[ . 1 . 2]" 2
346 2 34 PHE H 2 34 PHE HA 2.200 . 2.800 2.396 2.384 2.411 . 0 0 "[ . 1 . 2]" 2
347 2 43 LYS H 2 43 LYS HB3 1.900 . 2.400 2.169 2.063 2.224 . 0 0 "[ . 1 . 2]" 2
348 2 78 LEU HA 2 82 PHE H 3.500 . 5.000 3.234 3.148 3.296 . 0 0 "[ . 1 . 2]" 2
349 2 42 GLN HA 2 43 LYS H 3.100 . 4.300 2.692 2.669 2.735 . 0 0 "[ . 1 . 2]" 2
350 2 19 LYS HA 2 20 ILE H 2.700 . 3.600 2.730 2.708 2.752 . 0 0 "[ . 1 . 2]" 2
351 2 4 ASN H 2 4 ASN HB3 3.700 . 5.400 3.361 2.468 4.027 . 0 0 "[ . 1 . 2]" 2
352 2 20 ILE MG 2 21 LYS H 4.000 . 6.000 3.413 3.239 3.608 . 0 0 "[ . 1 . 2]" 2
353 2 24 PHE HB2 2 27 GLN H 3.400 . 4.800 3.863 3.286 4.276 . 0 0 "[ . 1 . 2]" 2
354 2 26 GLY HA2 2 27 GLN H 2.900 . 3.900 3.201 2.805 3.430 . 0 0 "[ . 1 . 2]" 2
355 2 24 PHE HA 2 27 GLN H 2.700 . 3.600 2.768 2.654 2.832 . 0 0 "[ . 1 . 2]" 2
356 2 49 LYS H 2 50 GLU H 2.000 . 2.500 2.242 2.094 2.381 . 0 0 "[ . 1 . 2]" 2
357 2 47 ASN HA 2 50 GLU H 3.500 . 5.000 3.403 3.220 3.584 . 0 0 "[ . 1 . 2]" 2
358 2 49 LYS HB3 2 50 GLU H 1.900 . 2.300 2.299 2.178 2.925 0.625 5 1 "[ + 1 . 2]" 2
359 2 45 GLN H 2 46 ARG HG2 3.800 . 5.600 4.435 3.808 4.850 . 0 0 "[ . 1 . 2]" 2
360 2 48 ALA MB 2 50 GLU H 3.100 . 4.300 3.558 3.328 3.768 . 0 0 "[ . 1 . 2]" 2
361 2 45 GLN HA 2 49 LYS H 3.100 . 4.300 3.361 3.303 3.414 . 0 0 "[ . 1 . 2]" 2
362 2 49 LYS H 2 49 LYS HA 2.400 . 3.100 2.206 2.200 2.212 . 0 0 "[ . 1 . 2]" 2
363 2 43 LYS HG3 2 47 ASN H 4.000 . 6.000 4.171 3.984 4.375 . 0 0 "[ . 1 . 2]" 2
364 2 43 LYS HA 2 47 ASN H 3.000 . 4.200 3.908 3.701 4.022 . 0 0 "[ . 1 . 2]" 2
365 2 46 ARG H 2 47 ASN H 2.200 . 2.800 2.463 2.406 2.534 . 0 0 "[ . 1 . 2]" 2
366 2 65 TYR H 2 65 TYR QD 3.700 . 5.400 3.489 3.218 3.705 . 0 0 "[ . 1 . 2]" 2
367 2 43 LYS HG3 2 44 GLU H 3.800 . 5.600 3.785 3.246 4.089 . 0 0 "[ . 1 . 2]" 2
368 2 43 LYS HB3 2 44 GLU H 1.800 . 2.200 2.151 1.944 2.383 0.183 1 0 "[ . 1 . 2]" 2
369 2 44 GLU H 2 44 GLU HB2 2.100 . 2.700 2.286 2.173 2.549 . 0 0 "[ . 1 . 2]" 2
370 2 44 GLU H 2 44 GLU HG3 3.300 . 4.700 3.166 1.995 3.649 . 0 0 "[ . 1 . 2]" 2
371 2 43 LYS HA 2 44 GLU H 2.400 . 3.100 2.484 2.313 2.628 . 0 0 "[ . 1 . 2]" 2
372 2 41 TYR HA 2 44 GLU H 2.600 . 3.500 2.523 2.109 2.938 . 0 0 "[ . 1 . 2]" 2
373 2 44 GLU H 2 44 GLU HA 2.400 . 3.100 2.707 2.692 2.729 . 0 0 "[ . 1 . 2]" 2
374 2 45 GLN H 2 46 ARG H 2.300 . 3.000 2.332 2.100 2.445 . 0 0 "[ . 1 . 2]" 2
375 2 4 ASN QB 2 5 ASN H 3.000 . 4.100 2.527 1.904 3.450 . 0 0 "[ . 1 . 2]" 2
376 2 4 ASN HB3 2 5 ASN H 3.100 . 4.300 2.869 1.973 3.485 . 0 0 "[ . 1 . 2]" 2
377 2 27 GLN HG3 2 29 ASP H 4.500 . 6.000 3.527 2.404 4.116 . 0 0 "[ . 1 . 2]" 2
378 2 61 GLU HG3 2 62 GLN H 3.000 . 4.100 2.479 1.892 3.691 0.008 5 0 "[ . 1 . 2]" 2
379 2 61 GLU HG2 2 62 GLN H 3.400 . 4.800 3.783 2.091 4.429 . 0 0 "[ . 1 . 2]" 2
380 2 81 GLU HA 2 84 GLN H 3.000 . 4.100 2.769 2.701 2.858 . 0 0 "[ . 1 . 2]" 2
381 2 66 ALA HA 2 67 GLN H 2.600 . 3.500 2.690 2.676 2.708 . 0 0 "[ . 1 . 2]" 2
382 2 37 ILE MD 2 67 GLN H 4.300 . 6.000 3.906 3.808 3.992 . 0 0 "[ . 1 . 2]" 2
383 2 37 ILE HB 2 38 LEU H 3.300 . 4.700 2.405 2.236 2.533 . 0 0 "[ . 1 . 2]" 2
384 2 79 LEU HB3 2 80 SER H 3.200 . 4.500 3.049 2.391 3.648 . 0 0 "[ . 1 . 2]" 2
385 2 66 ALA HA 2 70 ARG H 2.800 . 3.800 3.386 3.276 3.467 . 0 0 "[ . 1 . 2]" 2
386 2 70 ARG HA 2 72 PHE H 3.800 . 5.600 3.258 3.070 3.476 . 0 0 "[ . 1 . 2]" 2
387 2 37 ILE MD 2 38 LEU H 3.900 . 5.800 3.806 3.571 3.960 . 0 0 "[ . 1 . 2]" 2
388 2 43 LYS H 2 43 LYS HD3 3.100 . 4.300 3.304 2.324 3.525 . 0 0 "[ . 1 . 2]" 2
389 2 50 GLU H 2 51 ALA H 2.400 . 3.100 2.272 2.135 2.471 . 0 0 "[ . 1 . 2]" 2
390 2 48 ALA H 2 49 LYS H 2.600 . 3.400 2.216 2.112 2.351 . 0 0 "[ . 1 . 2]" 2
391 2 77 ASP HA 2 80 SER H 3.500 . 5.000 3.186 3.117 3.307 . 0 0 "[ . 1 . 2]" 2
392 2 43 LYS HA 2 44 GLU H 2.500 . 3.300 2.714 2.693 2.748 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 102
_Distance_constraint_stats_list.Viol_count 666
_Distance_constraint_stats_list.Viol_total 317.693
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0153
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0239
_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 9 ALA 0.969 0.069 11 0 "[ . 1 . 2]"
1 10 VAL 0.143 0.034 13 0 "[ . 1 . 2]"
1 11 TYR 0.300 0.061 17 0 "[ . 1 . 2]"
1 12 VAL 0.354 0.045 6 0 "[ . 1 . 2]"
1 13 LEU 1.981 0.079 10 0 "[ . 1 . 2]"
1 14 SER 0.335 0.042 2 0 "[ . 1 . 2]"
1 15 SER 0.471 0.061 17 0 "[ . 1 . 2]"
1 16 MET 0.354 0.045 6 0 "[ . 1 . 2]"
1 17 ALA 1.012 0.079 10 0 "[ . 1 . 2]"
1 18 ARG 0.192 0.042 2 0 "[ . 1 . 2]"
1 19 GLN 0.171 0.028 17 0 "[ . 1 . 2]"
2 8 VAL 0.756 0.089 17 0 "[ . 1 . 2]"
2 9 GLU 0.162 0.024 4 0 "[ . 1 . 2]"
2 10 PHE 0.116 0.030 17 0 "[ . 1 . 2]"
2 11 ASN 0.333 0.040 14 0 "[ . 1 . 2]"
2 12 HIS 1.022 0.089 17 0 "[ . 1 . 2]"
2 13 ALA 0.290 0.034 7 0 "[ . 1 . 2]"
2 14 ILE 0.411 0.044 13 0 "[ . 1 . 2]"
2 15 ASN 0.604 0.044 6 0 "[ . 1 . 2]"
2 16 TYR 1.057 0.072 8 0 "[ . 1 . 2]"
2 17 VAL 0.385 0.041 8 0 "[ . 1 . 2]"
2 18 ASN 0.564 0.044 13 0 "[ . 1 . 2]"
2 19 LYS 0.353 0.044 6 0 "[ . 1 . 2]"
2 20 ILE 0.790 0.072 8 0 "[ . 1 . 2]"
2 21 LYS 0.256 0.041 8 0 "[ . 1 . 2]"
2 22 ASN 0.268 0.034 5 0 "[ . 1 . 2]"
2 23 ARG 0.082 0.018 9 0 "[ . 1 . 2]"
2 28 PRO 0.024 0.021 11 0 "[ . 1 . 2]"
2 29 ASP 0.033 0.016 7 0 "[ . 1 . 2]"
2 30 ILE 0.141 0.028 13 0 "[ . 1 . 2]"
2 31 TYR 0.891 0.061 8 0 "[ . 1 . 2]"
2 32 LYS 0.059 0.021 11 0 "[ . 1 . 2]"
2 33 ALA 0.560 0.050 6 0 "[ . 1 . 2]"
2 34 PHE 1.787 0.095 19 0 "[ . 1 . 2]"
2 35 LEU 0.947 0.061 8 0 "[ . 1 . 2]"
2 36 GLU 0.034 0.020 8 0 "[ . 1 . 2]"
2 37 ILE 0.778 0.050 11 0 "[ . 1 . 2]"
2 38 LEU 1.892 0.095 19 0 "[ . 1 . 2]"
2 39 HIS 0.555 0.056 17 0 "[ . 1 . 2]"
2 40 THR 0.075 0.016 6 0 "[ . 1 . 2]"
2 41 TYR 0.541 0.050 11 0 "[ . 1 . 2]"
2 42 GLN 0.261 0.054 19 0 "[ . 1 . 2]"
2 43 LYS 0.836 0.056 17 0 "[ . 1 . 2]"
2 44 GLU 0.206 0.045 10 0 "[ . 1 . 2]"
2 45 GLN 0.520 0.045 4 0 "[ . 1 . 2]"
2 46 ARG 0.029 0.015 5 0 "[ . 1 . 2]"
2 47 ASN 0.492 0.038 19 0 "[ . 1 . 2]"
2 48 ALA 0.131 0.045 10 0 "[ . 1 . 2]"
2 49 LYS 0.230 0.036 19 0 "[ . 1 . 2]"
2 50 GLU 0.014 0.011 5 0 "[ . 1 . 2]"
2 51 ALA 0.154 0.030 20 0 "[ . 1 . 2]"
2 61 GLU 0.655 0.071 16 0 "[ . 1 . 2]"
2 62 GLN 0.076 0.019 13 0 "[ . 1 . 2]"
2 63 GLU 0.204 0.033 17 0 "[ . 1 . 2]"
2 64 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 65 TYR 0.736 0.071 16 0 "[ . 1 . 2]"
2 66 ALA 0.686 0.059 17 0 "[ . 1 . 2]"
2 67 GLN 0.367 0.034 7 0 "[ . 1 . 2]"
2 68 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 69 ALA 0.082 0.017 3 0 "[ . 1 . 2]"
2 70 ARG 0.611 0.059 17 0 "[ . 1 . 2]"
2 71 LEU 0.164 0.034 7 0 "[ . 1 . 2]"
2 76 GLU 0.137 0.037 14 0 "[ . 1 . 2]"
2 77 ASP 0.193 0.043 15 0 "[ . 1 . 2]"
2 78 LEU 0.033 0.013 16 0 "[ . 1 . 2]"
2 79 LEU 0.074 0.023 7 0 "[ . 1 . 2]"
2 80 SER 1.333 0.100 1 0 "[ . 1 . 2]"
2 81 GLU 0.193 0.043 15 0 "[ . 1 . 2]"
2 82 PHE 0.033 0.013 16 0 "[ . 1 . 2]"
2 83 GLY 0.074 0.023 7 0 "[ . 1 . 2]"
2 84 GLN 1.196 0.100 1 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 2 8 VAL O 2 12 HIS H 1.900 . 2.100 2.137 2.111 2.189 0.089 17 0 "[ . 1 . 2]" 3
2 2 8 VAL O 2 12 HIS N 2.900 2.700 3.100 3.035 2.938 3.117 0.017 14 0 "[ . 1 . 2]" 3
3 2 9 GLU O 2 13 ALA H 1.900 . 2.100 2.079 1.884 2.124 0.024 4 0 "[ . 1 . 2]" 3
4 2 9 GLU O 2 13 ALA N 2.900 2.700 3.100 2.950 2.799 3.050 . 0 0 "[ . 1 . 2]" 3
5 2 10 PHE O 2 14 ILE H 1.900 . 2.100 2.045 1.919 2.130 0.030 17 0 "[ . 1 . 2]" 3
6 2 10 PHE O 2 14 ILE N 2.900 2.700 3.100 2.943 2.767 3.073 . 0 0 "[ . 1 . 2]" 3
7 2 11 ASN O 2 15 ASN H 1.900 . 2.100 2.106 2.035 2.140 0.040 14 0 "[ . 1 . 2]" 3
8 2 11 ASN O 2 15 ASN N 2.900 2.700 3.100 3.022 2.943 3.106 0.006 14 0 "[ . 1 . 2]" 3
9 2 12 HIS O 2 16 TYR H 1.900 . 2.100 2.089 2.000 2.168 0.068 14 0 "[ . 1 . 2]" 3
10 2 12 HIS O 2 16 TYR N 2.900 2.700 3.100 2.898 2.764 3.067 . 0 0 "[ . 1 . 2]" 3
11 2 13 ALA O 2 17 VAL H 1.900 . 2.100 2.080 1.938 2.134 0.034 7 0 "[ . 1 . 2]" 3
12 2 13 ALA O 2 17 VAL N 2.900 2.700 3.100 3.042 2.896 3.098 . 0 0 "[ . 1 . 2]" 3
13 2 14 ILE O 2 18 ASN H 1.900 . 2.100 2.090 1.936 2.144 0.044 13 0 "[ . 1 . 2]" 3
14 2 14 ILE O 2 18 ASN N 2.900 2.700 3.100 2.984 2.798 3.091 . 0 0 "[ . 1 . 2]" 3
15 2 15 ASN O 2 19 LYS H 1.900 . 2.100 2.099 2.023 2.144 0.044 6 0 "[ . 1 . 2]" 3
16 2 15 ASN O 2 19 LYS N 2.900 2.700 3.100 3.002 2.869 3.109 0.009 6 0 "[ . 1 . 2]" 3
17 2 16 TYR O 2 20 ILE H 1.900 . 2.100 2.129 2.053 2.172 0.072 8 0 "[ . 1 . 2]" 3
18 2 16 TYR O 2 20 ILE N 2.900 2.700 3.100 3.072 2.954 3.130 0.030 8 0 "[ . 1 . 2]" 3
19 2 17 VAL O 2 21 LYS H 1.900 . 2.100 2.102 2.045 2.141 0.041 8 0 "[ . 1 . 2]" 3
20 2 17 VAL O 2 21 LYS N 2.900 2.700 3.100 2.946 2.839 3.048 . 0 0 "[ . 1 . 2]" 3
21 2 18 ASN O 2 22 ASN H 1.900 . 2.100 2.108 2.016 2.134 0.034 5 0 "[ . 1 . 2]" 3
22 2 18 ASN O 2 22 ASN N 2.900 2.700 3.100 3.000 2.921 3.091 . 0 0 "[ . 1 . 2]" 3
23 2 19 LYS O 2 23 ARG H 1.900 . 2.100 2.046 1.867 2.118 0.018 9 0 "[ . 1 . 2]" 3
24 2 19 LYS O 2 23 ARG N 2.900 2.700 3.100 2.948 2.756 3.074 . 0 0 "[ . 1 . 2]" 3
25 2 28 PRO O 2 32 LYS H 1.900 . 2.100 2.064 1.989 2.121 0.021 11 0 "[ . 1 . 2]" 3
26 2 28 PRO O 2 32 LYS N 2.900 2.700 3.100 2.981 2.914 3.037 . 0 0 "[ . 1 . 2]" 3
27 2 29 ASP O 2 33 ALA H 1.900 . 2.100 2.077 1.993 2.116 0.016 7 0 "[ . 1 . 2]" 3
28 2 29 ASP O 2 33 ALA N 2.900 2.700 3.100 3.002 2.914 3.074 . 0 0 "[ . 1 . 2]" 3
29 2 30 ILE O 2 34 PHE H 1.900 . 2.100 2.092 2.045 2.128 0.028 13 0 "[ . 1 . 2]" 3
30 2 30 ILE O 2 34 PHE N 2.900 2.700 3.100 3.050 2.969 3.090 . 0 0 "[ . 1 . 2]" 3
31 2 31 TYR O 2 35 LEU H 1.900 . 2.100 2.136 2.121 2.161 0.061 8 0 "[ . 1 . 2]" 3
32 2 31 TYR O 2 35 LEU N 2.900 2.700 3.100 3.106 3.075 3.136 0.036 19 0 "[ . 1 . 2]" 3
33 2 32 LYS O 2 36 GLU H 1.900 . 2.100 2.026 1.921 2.108 0.008 5 0 "[ . 1 . 2]" 3
34 2 32 LYS O 2 36 GLU N 2.900 2.700 3.100 2.842 2.680 2.954 0.020 8 0 "[ . 1 . 2]" 3
35 2 33 ALA O 2 37 ILE H 1.900 . 2.100 2.125 2.066 2.150 0.050 6 0 "[ . 1 . 2]" 3
36 2 33 ALA O 2 37 ILE N 2.900 2.700 3.100 2.992 2.909 3.042 . 0 0 "[ . 1 . 2]" 3
37 2 34 PHE O 2 38 LEU H 1.900 . 2.100 2.159 2.131 2.195 0.095 19 0 "[ . 1 . 2]" 3
38 2 34 PHE O 2 38 LEU N 2.900 2.700 3.100 3.123 3.095 3.152 0.052 7 0 "[ . 1 . 2]" 3
39 2 35 LEU O 2 39 HIS H 1.900 . 2.100 2.071 1.974 2.119 0.019 14 0 "[ . 1 . 2]" 3
40 2 35 LEU O 2 39 HIS N 2.900 2.700 3.100 2.908 2.779 3.002 . 0 0 "[ . 1 . 2]" 3
41 2 36 GLU O 2 40 THR H 1.900 . 2.100 2.009 1.938 2.092 . 0 0 "[ . 1 . 2]" 3
42 2 36 GLU O 2 40 THR N 2.900 2.700 3.100 2.979 2.907 3.064 . 0 0 "[ . 1 . 2]" 3
43 2 37 ILE O 2 41 TYR H 1.900 . 2.100 2.099 2.003 2.150 0.050 11 0 "[ . 1 . 2]" 3
44 2 37 ILE O 2 41 TYR N 2.900 2.700 3.100 2.956 2.876 3.027 . 0 0 "[ . 1 . 2]" 3
45 2 38 LEU O 2 42 GLN H 1.900 . 2.100 2.091 2.003 2.154 0.054 19 0 "[ . 1 . 2]" 3
46 2 38 LEU O 2 42 GLN N 2.900 2.700 3.100 2.975 2.777 3.118 0.018 19 0 "[ . 1 . 2]" 3
47 2 39 HIS O 2 43 LYS H 1.900 . 2.100 2.124 2.089 2.156 0.056 17 0 "[ . 1 . 2]" 3
48 2 39 HIS O 2 43 LYS N 2.900 2.700 3.100 3.055 2.898 3.107 0.007 20 0 "[ . 1 . 2]" 3
49 2 40 THR O 2 44 GLU H 1.900 . 2.100 2.070 1.997 2.116 0.016 6 0 "[ . 1 . 2]" 3
50 2 40 THR O 2 44 GLU N 2.900 2.700 3.100 3.027 2.956 3.095 . 0 0 "[ . 1 . 2]" 3
51 2 41 TYR O 2 45 GLN H 1.900 . 2.100 2.107 2.051 2.145 0.045 4 0 "[ . 1 . 2]" 3
52 2 41 TYR O 2 45 GLN N 2.900 2.700 3.100 2.988 2.897 3.078 . 0 0 "[ . 1 . 2]" 3
53 2 42 GLN O 2 46 ARG H 1.900 . 2.100 1.992 1.913 2.115 0.015 5 0 "[ . 1 . 2]" 3
54 2 42 GLN O 2 46 ARG N 2.900 2.700 3.100 2.933 2.833 3.045 . 0 0 "[ . 1 . 2]" 3
55 2 43 LYS O 2 47 ASN H 1.900 . 2.100 2.106 2.015 2.138 0.038 19 0 "[ . 1 . 2]" 3
56 2 43 LYS O 2 47 ASN N 2.900 2.700 3.100 3.079 2.985 3.116 0.016 19 0 "[ . 1 . 2]" 3
57 2 44 GLU O 2 48 ALA H 1.900 . 2.100 2.082 1.983 2.145 0.045 10 0 "[ . 1 . 2]" 3
58 2 44 GLU O 2 48 ALA N 2.900 2.700 3.100 2.940 2.820 3.042 . 0 0 "[ . 1 . 2]" 3
59 2 45 GLN O 2 49 LYS H 1.900 . 2.100 2.103 2.010 2.136 0.036 19 0 "[ . 1 . 2]" 3
60 2 45 GLN O 2 49 LYS N 2.900 2.700 3.100 2.948 2.776 3.065 . 0 0 "[ . 1 . 2]" 3
61 2 46 ARG O 2 50 GLU H 1.900 . 2.100 2.050 1.937 2.111 0.011 5 0 "[ . 1 . 2]" 3
62 2 46 ARG O 2 50 GLU N 2.900 2.700 3.100 2.911 2.769 3.017 . 0 0 "[ . 1 . 2]" 3
63 2 47 ASN O 2 51 ALA H 1.900 . 2.100 2.100 2.045 2.130 0.030 20 0 "[ . 1 . 2]" 3
64 2 47 ASN O 2 51 ALA N 2.900 2.700 3.100 2.978 2.829 3.105 0.005 20 0 "[ . 1 . 2]" 3
65 2 61 GLU O 2 65 TYR H 1.900 . 2.100 2.132 2.104 2.171 0.071 16 0 "[ . 1 . 2]" 3
66 2 61 GLU O 2 65 TYR N 2.900 2.700 3.100 3.075 3.047 3.107 0.007 19 0 "[ . 1 . 2]" 3
67 2 62 GLN O 2 66 ALA H 1.900 . 2.100 2.081 2.006 2.119 0.019 13 0 "[ . 1 . 2]" 3
68 2 62 GLN O 2 66 ALA N 2.900 2.700 3.100 2.888 2.826 2.954 . 0 0 "[ . 1 . 2]" 3
69 2 63 GLU O 2 67 GLN H 1.900 . 2.100 2.071 1.912 2.133 0.033 17 0 "[ . 1 . 2]" 3
70 2 63 GLU O 2 67 GLN N 2.900 2.700 3.100 3.046 2.883 3.108 0.008 17 0 "[ . 1 . 2]" 3
71 2 64 VAL O 2 68 VAL H 1.900 . 2.100 1.907 1.861 1.993 . 0 0 "[ . 1 . 2]" 3
72 2 64 VAL O 2 68 VAL N 2.900 2.700 3.100 2.857 2.809 2.946 . 0 0 "[ . 1 . 2]" 3
73 2 65 TYR O 2 69 ALA H 1.900 . 2.100 2.068 1.975 2.117 0.017 3 0 "[ . 1 . 2]" 3
74 2 65 TYR O 2 69 ALA N 2.900 2.700 3.100 2.860 2.710 2.953 . 0 0 "[ . 1 . 2]" 3
75 2 66 ALA O 2 70 ARG H 1.900 . 2.100 2.131 2.104 2.159 0.059 17 0 "[ . 1 . 2]" 3
76 2 66 ALA O 2 70 ARG N 2.900 2.700 3.100 3.033 2.906 3.079 . 0 0 "[ . 1 . 2]" 3
77 2 67 GLN O 2 71 LEU H 1.900 . 2.100 2.099 2.043 2.134 0.034 7 0 "[ . 1 . 2]" 3
78 2 67 GLN O 2 71 LEU N 2.900 2.700 3.100 2.787 2.717 2.918 . 0 0 "[ . 1 . 2]" 3
79 2 76 GLU O 2 80 SER H 1.900 . 2.100 2.059 1.971 2.137 0.037 14 0 "[ . 1 . 2]" 3
80 2 76 GLU O 2 80 SER N 2.900 2.700 3.100 2.939 2.697 3.092 0.003 17 0 "[ . 1 . 2]" 3
81 2 77 ASP O 2 81 GLU H 1.900 . 2.100 2.077 1.969 2.143 0.043 15 0 "[ . 1 . 2]" 3
82 2 77 ASP O 2 81 GLU N 2.900 2.700 3.100 3.046 2.944 3.113 0.013 16 0 "[ . 1 . 2]" 3
83 2 78 LEU O 2 82 PHE H 1.900 . 2.100 2.017 1.942 2.113 0.013 16 0 "[ . 1 . 2]" 3
84 2 78 LEU O 2 82 PHE N 2.900 2.700 3.100 2.865 2.707 2.993 . 0 0 "[ . 1 . 2]" 3
85 2 79 LEU O 2 83 GLY H 1.900 . 2.100 2.080 2.020 2.123 0.023 7 0 "[ . 1 . 2]" 3
86 2 79 LEU O 2 83 GLY N 2.900 2.700 3.100 2.854 2.723 2.978 . 0 0 "[ . 1 . 2]" 3
87 2 80 SER O 2 84 GLN H 1.900 . 2.100 2.160 2.120 2.200 0.100 1 0 "[ . 1 . 2]" 3
88 2 80 SER O 2 84 GLN N 2.900 2.700 3.100 3.038 2.967 3.102 0.002 19 0 "[ . 1 . 2]" 3
89 1 9 ALA O 1 13 LEU H 1.900 . 2.100 2.138 2.107 2.169 0.069 11 0 "[ . 1 . 2]" 3
90 1 9 ALA O 1 13 LEU N 2.900 2.700 3.100 3.102 3.065 3.143 0.043 6 0 "[ . 1 . 2]" 3
91 1 10 VAL O 1 14 SER H 1.900 . 2.100 2.051 1.891 2.134 0.034 13 0 "[ . 1 . 2]" 3
92 1 10 VAL O 1 14 SER N 2.900 2.700 3.100 2.917 2.689 3.026 0.011 17 0 "[ . 1 . 2]" 3
93 1 11 TYR O 1 15 SER H 1.900 . 2.100 2.099 2.018 2.161 0.061 17 0 "[ . 1 . 2]" 3
94 1 11 TYR O 1 15 SER N 2.900 2.700 3.100 3.021 2.793 3.115 0.015 17 0 "[ . 1 . 2]" 3
95 1 12 VAL O 1 16 MET H 1.900 . 2.100 2.095 1.991 2.145 0.045 6 0 "[ . 1 . 2]" 3
96 1 12 VAL O 1 16 MET N 2.900 2.700 3.100 2.988 2.854 3.083 . 0 0 "[ . 1 . 2]" 3
97 1 13 LEU O 1 17 ALA H 1.900 . 2.100 2.147 2.128 2.179 0.079 10 0 "[ . 1 . 2]" 3
98 1 13 LEU O 1 17 ALA N 2.900 2.700 3.100 3.083 2.962 3.124 0.024 19 0 "[ . 1 . 2]" 3
99 1 14 SER O 1 18 ARG H 1.900 . 2.100 2.063 1.889 2.131 0.031 9 0 "[ . 1 . 2]" 3
100 1 14 SER O 1 18 ARG N 2.900 2.700 3.100 2.789 2.658 3.015 0.042 2 0 "[ . 1 . 2]" 3
101 1 15 SER O 1 19 GLN H 1.900 . 2.100 2.084 1.972 2.128 0.028 17 0 "[ . 1 . 2]" 3
102 1 15 SER O 1 19 GLN N 2.900 2.700 3.100 2.883 2.720 3.059 . 0 0 "[ . 1 . 2]" 3
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