NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
565067 |
2rt6   |
11525 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rt6
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 863
_Distance_constraint_stats_list.Viol_count 346
_Distance_constraint_stats_list.Viol_total 53.129
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0023
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0077
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.002 0.001 19 0 "[ . 1 . 2]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LEU 0.001 0.001 18 0 "[ . 1 . 2]"
1 6 LEU 0.013 0.011 17 0 "[ . 1 . 2]"
1 7 LEU 0.003 0.003 19 0 "[ . 1 . 2]"
1 8 GLU 0.003 0.003 19 0 "[ . 1 . 2]"
1 9 LYS 0.013 0.004 15 0 "[ . 1 . 2]"
1 10 LEU 0.004 0.003 16 0 "[ . 1 . 2]"
1 11 GLU 0.015 0.004 4 0 "[ . 1 . 2]"
1 12 GLY 0.020 0.004 4 0 "[ . 1 . 2]"
1 13 GLN 0.030 0.006 15 0 "[ . 1 . 2]"
1 14 LEU 0.002 0.002 5 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.032 0.011 4 0 "[ . 1 . 2]"
1 17 LEU 0.015 0.011 4 0 "[ . 1 . 2]"
1 18 ARG 0.004 0.004 11 0 "[ . 1 . 2]"
1 19 GLN 0.004 0.004 14 0 "[ . 1 . 2]"
1 20 ARG 0.006 0.005 16 0 "[ . 1 . 2]"
1 21 CYS 0.009 0.005 16 0 "[ . 1 . 2]"
1 22 ALA 0.013 0.011 16 0 "[ . 1 . 2]"
1 23 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 VAL 0.017 0.011 16 0 "[ . 1 . 2]"
1 25 SER 0.064 0.010 16 0 "[ . 1 . 2]"
1 26 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PHE 0.064 0.035 3 0 "[ . 1 . 2]"
1 28 ALA 0.143 0.035 3 0 "[ . 1 . 2]"
1 29 THR 0.112 0.021 3 0 "[ . 1 . 2]"
1 30 LEU 0.009 0.004 18 0 "[ . 1 . 2]"
1 31 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.007 0.007 12 0 "[ . 1 . 2]"
1 34 PHE 1.263 0.070 8 0 "[ . 1 . 2]"
1 35 ASP 0.079 0.009 11 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 HIS 0.052 0.008 10 0 "[ . 1 . 2]"
1 38 LEU 0.096 0.009 11 0 "[ . 1 . 2]"
1 39 PHE 0.137 0.012 7 0 "[ . 1 . 2]"
1 40 GLN 0.151 0.012 7 0 "[ . 1 . 2]"
1 41 THR 0.011 0.008 7 0 "[ . 1 . 2]"
1 42 ARG 0.003 0.003 8 0 "[ . 1 . 2]"
1 43 ALA 0.027 0.008 7 0 "[ . 1 . 2]"
1 44 THR 0.080 0.012 2 0 "[ . 1 . 2]"
1 45 THR 0.091 0.012 2 0 "[ . 1 . 2]"
1 46 LEU 0.042 0.008 20 0 "[ . 1 . 2]"
1 47 GLN 0.064 0.010 16 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 CYS 0.014 0.006 6 0 "[ . 1 . 2]"
1 50 LEU 0.004 0.004 11 0 "[ . 1 . 2]"
1 51 ASP 0.014 0.006 6 0 "[ . 1 . 2]"
1 52 GLU 0.015 0.008 13 0 "[ . 1 . 2]"
1 53 ALA 0.006 0.005 13 0 "[ . 1 . 2]"
1 54 GLY 0.047 0.008 13 0 "[ . 1 . 2]"
1 55 ASP 0.001 0.001 4 0 "[ . 1 . 2]"
1 56 ASN 0.042 0.005 8 0 "[ . 1 . 2]"
1 57 LEU 0.029 0.025 20 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.018 0.006 11 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.001 0.001 16 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 GLN 0.014 0.007 15 0 "[ . 1 . 2]"
1 67 GLN 0.016 0.005 3 0 "[ . 1 . 2]"
1 68 GLN 0.032 0.006 3 0 "[ . 1 . 2]"
1 69 LEU 0.090 0.013 16 0 "[ . 1 . 2]"
1 70 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 0.009 0.004 18 0 "[ . 1 . 2]"
1 72 VAL 0.017 0.006 11 0 "[ . 1 . 2]"
1 73 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 TRP 0.015 0.006 6 0 "[ . 1 . 2]"
1 75 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 ALA 0.012 0.004 7 0 "[ . 1 . 2]"
1 77 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 HIS 0.069 0.053 18 0 "[ . 1 . 2]"
1 79 LEU 0.008 0.003 4 0 "[ . 1 . 2]"
1 80 ALA 0.004 0.003 16 0 "[ . 1 . 2]"
1 81 ALA 0.004 0.003 5 0 "[ . 1 . 2]"
1 82 GLN 0.034 0.007 11 0 "[ . 1 . 2]"
1 83 LEU 0.065 0.035 10 0 "[ . 1 . 2]"
1 84 GLU 0.014 0.005 15 0 "[ . 1 . 2]"
1 85 ALA 0.009 0.008 4 0 "[ . 1 . 2]"
1 86 ILE 0.047 0.006 18 0 "[ . 1 . 2]"
1 87 ALA 0.028 0.006 18 0 "[ . 1 . 2]"
1 88 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.003 0.003 6 0 "[ . 1 . 2]"
1 91 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ALA 0.009 0.003 8 0 "[ . 1 . 2]"
1 93 TRP 0.124 0.008 12 0 "[ . 1 . 2]"
1 94 SER 0.075 0.037 5 0 "[ . 1 . 2]"
1 95 LEU 0.071 0.037 5 0 "[ . 1 . 2]"
1 96 ARG 0.032 0.006 19 0 "[ . 1 . 2]"
1 97 GLU 0.027 0.006 19 0 "[ . 1 . 2]"
1 98 TRP 0.011 0.004 4 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 34 PHE H 1 35 ASP H 4.700 . 4.700 4.606 4.531 4.630 . 0 0 "[ . 1 . 2]" 1
2 1 96 ARG HA 1 97 GLU H 3.100 . 3.100 2.862 2.530 2.984 . 0 0 "[ . 1 . 2]" 1
3 1 34 PHE HA 1 35 ASP H 3.400 . 3.400 2.233 2.151 2.317 . 0 0 "[ . 1 . 2]" 1
4 1 35 ASP H 1 35 ASP HB3 3.900 . 3.900 3.254 2.789 3.736 . 0 0 "[ . 1 . 2]" 1
5 1 35 ASP H 1 35 ASP HB2 3.900 . 3.900 2.544 2.389 2.817 . 0 0 "[ . 1 . 2]" 1
6 1 97 GLU H 1 97 GLU QB 3.600 . 4.600 2.986 2.242 3.396 . 0 0 "[ . 1 . 2]" 1
7 1 55 ASP H 1 56 ASN H 3.300 . 3.300 2.536 2.427 2.873 . 0 0 "[ . 1 . 2]" 1
8 1 53 ALA H 1 55 ASP H 4.400 . 4.400 4.167 3.947 4.300 . 0 0 "[ . 1 . 2]" 1
9 1 52 GLU HA 1 55 ASP H 4.000 . 4.000 3.521 3.314 3.634 . 0 0 "[ . 1 . 2]" 1
10 1 55 ASP H 1 55 ASP HB3 3.600 . 3.600 3.104 2.575 3.570 . 0 0 "[ . 1 . 2]" 1
11 1 55 ASP H 1 55 ASP HB2 3.600 . 3.600 2.210 2.078 2.492 . 0 0 "[ . 1 . 2]" 1
12 1 42 ARG H 1 43 ALA H 3.500 . 3.500 2.595 2.427 2.720 . 0 0 "[ . 1 . 2]" 1
13 1 43 ALA H 1 43 ALA MB 3.100 . 4.100 2.263 2.065 2.442 . 0 0 "[ . 1 . 2]" 1
14 1 27 PHE H 1 28 ALA H 3.200 . 3.200 2.543 2.439 2.768 . 0 0 "[ . 1 . 2]" 1
15 1 4 ALA H 1 4 ALA MB 3.300 . 4.300 2.152 2.069 2.266 . 0 0 "[ . 1 . 2]" 1
16 1 28 ALA H 1 28 ALA MB 3.200 . 4.200 2.180 2.039 2.281 . 0 0 "[ . 1 . 2]" 1
17 1 21 CYS H 1 22 ALA H 3.800 . 3.800 2.573 2.408 2.678 . 0 0 "[ . 1 . 2]" 1
18 1 35 ASP HA 1 36 ARG H 3.200 . 3.200 2.154 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
19 1 22 ALA H 1 23 PRO HD2 4.000 . 4.000 2.265 2.183 2.376 . 0 0 "[ . 1 . 2]" 1
20 1 22 ALA H 1 23 PRO HD3 4.000 . 4.000 2.942 2.700 3.205 . 0 0 "[ . 1 . 2]" 1
21 1 36 ARG H 1 36 ARG QD 4.100 . 5.100 3.821 2.306 4.635 . 0 0 "[ . 1 . 2]" 1
22 1 40 GLN H 1 40 GLN QG 3.900 . 4.900 3.740 2.982 4.062 . 0 0 "[ . 1 . 2]" 1
23 1 57 LEU H 1 57 LEU HB2 3.700 . 3.700 3.125 2.052 3.596 . 0 0 "[ . 1 . 2]" 1
24 1 22 ALA H 1 22 ALA MB 3.200 . 4.200 2.058 2.024 2.100 . 0 0 "[ . 1 . 2]" 1
25 1 60 LEU H 1 60 LEU HB2 3.500 . 3.500 2.568 2.412 2.661 . 0 0 "[ . 1 . 2]" 1
26 1 36 ARG H 1 36 ARG QG 3.500 . 4.500 2.654 1.958 3.973 . 0 0 "[ . 1 . 2]" 1
27 1 59 ALA MB 1 60 LEU H 3.500 . 4.500 2.763 2.689 2.875 . 0 0 "[ . 1 . 2]" 1
28 1 57 LEU H 1 57 LEU HB3 3.700 . 3.700 2.789 2.137 3.549 . 0 0 "[ . 1 . 2]" 1
29 1 60 LEU H 1 60 LEU HB3 3.500 . 3.500 2.465 2.403 2.609 . 0 0 "[ . 1 . 2]" 1
30 1 92 ALA H 1 92 ALA MB 3.100 . 4.100 2.144 2.043 2.234 . 0 0 "[ . 1 . 2]" 1
31 1 60 LEU H 1 60 LEU MD1 4.000 . 5.000 4.161 3.978 4.287 . 0 0 "[ . 1 . 2]" 1
32 1 60 LEU H 1 60 LEU MD2 4.900 . 5.900 4.128 3.949 4.272 . 0 0 "[ . 1 . 2]" 1
33 1 60 LEU H 1 79 LEU MD1 5.500 . 6.500 4.327 3.847 5.574 . 0 0 "[ . 1 . 2]" 1
34 1 29 THR HA 1 30 LEU H 3.500 . 3.500 2.166 2.147 2.215 . 0 0 "[ . 1 . 2]" 1
35 1 16 THR HB 1 17 LEU H 3.800 . 3.800 2.709 2.279 3.811 0.011 4 0 "[ . 1 . 2]" 1
36 1 12 GLY QA 1 13 GLN H 3.400 . 4.400 2.667 2.619 2.763 . 0 0 "[ . 1 . 2]" 1
37 1 52 GLU H 1 52 GLU QG 3.800 . 4.800 3.114 2.109 4.056 . 0 0 "[ . 1 . 2]" 1
38 1 52 GLU H 1 52 GLU HB3 3.900 . 3.900 3.300 2.518 3.547 . 0 0 "[ . 1 . 2]" 1
39 1 52 GLU H 1 52 GLU HB2 3.900 . 3.900 2.275 2.064 3.591 . 0 0 "[ . 1 . 2]" 1
40 1 13 GLN H 1 13 GLN QB 3.400 . 4.400 2.172 2.070 2.429 . 0 0 "[ . 1 . 2]" 1
41 1 17 LEU H 1 17 LEU HB3 3.900 . 3.900 2.835 2.482 3.049 . 0 0 "[ . 1 . 2]" 1
42 1 17 LEU H 1 17 LEU HB2 3.900 . 3.900 2.252 2.097 2.536 . 0 0 "[ . 1 . 2]" 1
43 1 29 THR MG 1 30 LEU H 4.000 . 5.000 3.091 2.207 4.123 . 0 0 "[ . 1 . 2]" 1
44 1 30 LEU H 1 30 LEU HG 3.600 . 3.600 3.455 3.067 3.604 0.004 18 0 "[ . 1 . 2]" 1
45 1 13 GLN H 1 83 LEU MD1 3.900 . 4.900 4.338 3.745 4.900 0.000 14 0 "[ . 1 . 2]" 1
46 1 13 GLN H 1 83 LEU MD2 3.900 . 4.900 4.636 3.737 4.906 0.006 15 0 "[ . 1 . 2]" 1
47 1 30 LEU H 1 30 LEU MD1 4.000 . 5.000 4.048 3.805 4.188 . 0 0 "[ . 1 . 2]" 1
48 1 30 LEU H 1 30 LEU MD2 4.000 . 5.000 4.147 3.919 4.324 . 0 0 "[ . 1 . 2]" 1
49 1 89 GLU H 1 90 ALA H 3.700 . 3.700 2.735 2.618 2.892 . 0 0 "[ . 1 . 2]" 1
50 1 88 ARG H 1 89 GLU H 3.800 . 3.800 2.675 2.578 2.792 . 0 0 "[ . 1 . 2]" 1
51 1 96 ARG H 1 97 GLU H 4.100 . 4.100 2.051 1.905 2.567 . 0 0 "[ . 1 . 2]" 1
52 1 33 ARG H 1 34 PHE H 3.400 . 3.400 2.690 2.588 2.729 . 0 0 "[ . 1 . 2]" 1
53 1 95 LEU HA 1 96 ARG H 3.200 . 3.200 2.767 2.156 3.075 . 0 0 "[ . 1 . 2]" 1
54 1 96 ARG H 1 97 GLU HA 4.000 . 4.000 3.985 3.926 4.006 0.006 19 0 "[ . 1 . 2]" 1
55 1 34 PHE H 1 34 PHE HB2 3.500 . 3.500 3.563 3.553 3.570 0.070 8 0 "[ . 1 . 2]" 1
56 1 34 PHE H 1 34 PHE HB3 3.600 . 3.600 2.521 2.415 2.709 . 0 0 "[ . 1 . 2]" 1
57 1 52 GLU HB3 1 53 ALA H 4.000 . 4.000 3.161 2.334 3.809 . 0 0 "[ . 1 . 2]" 1
58 1 89 GLU H 1 89 GLU QG 3.800 . 4.800 2.801 1.973 4.012 . 0 0 "[ . 1 . 2]" 1
59 1 52 GLU HB2 1 53 ALA H 4.000 . 4.000 3.031 2.733 3.878 . 0 0 "[ . 1 . 2]" 1
60 1 88 ARG QB 1 89 GLU H 4.100 . 5.100 2.492 2.260 2.768 . 0 0 "[ . 1 . 2]" 1
61 1 96 ARG H 1 96 ARG QG 3.800 . 4.800 3.854 2.554 4.440 . 0 0 "[ . 1 . 2]" 1
62 1 96 ARG H 1 96 ARG QB 3.600 . 4.600 2.961 2.761 3.357 . 0 0 "[ . 1 . 2]" 1
63 1 95 LEU QB 1 96 ARG H 4.100 . 5.100 3.833 3.653 3.999 . 0 0 "[ . 1 . 2]" 1
64 1 53 ALA H 1 53 ALA MB 3.100 . 4.100 2.124 2.030 2.233 . 0 0 "[ . 1 . 2]" 1
65 1 30 LEU H 1 30 LEU HB2 4.100 . 4.100 2.283 2.171 2.421 . 0 0 "[ . 1 . 2]" 1
66 1 14 LEU MD1 1 53 ALA H 5.500 . 6.500 5.241 4.506 6.350 . 0 0 "[ . 1 . 2]" 1
67 1 30 LEU H 1 30 LEU HB3 4.100 . 4.100 3.491 3.378 3.641 . 0 0 "[ . 1 . 2]" 1
68 1 14 LEU MD2 1 53 ALA H 5.500 . 6.500 5.270 4.326 6.490 . 0 0 "[ . 1 . 2]" 1
69 1 53 ALA H 1 86 ILE MD 5.500 . 6.500 5.083 3.994 6.505 0.005 13 0 "[ . 1 . 2]" 1
70 1 57 LEU H 1 58 ALA H 3.600 . 3.600 2.651 2.516 2.771 . 0 0 "[ . 1 . 2]" 1
71 1 95 LEU H 1 96 ARG H 4.000 . 4.000 2.862 1.961 4.005 0.005 1 0 "[ . 1 . 2]" 1
72 1 58 ALA H 1 59 ALA H 3.400 . 3.400 2.712 2.550 2.841 . 0 0 "[ . 1 . 2]" 1
73 1 87 ALA H 1 88 ARG H 3.700 . 3.700 2.644 2.502 2.850 . 0 0 "[ . 1 . 2]" 1
74 1 45 THR HB 1 46 LEU H 3.900 . 3.900 2.228 2.040 2.496 . 0 0 "[ . 1 . 2]" 1
75 1 94 SER HA 1 95 LEU H 3.400 . 3.400 2.610 2.164 3.437 0.037 5 0 "[ . 1 . 2]" 1
76 1 31 SER HA 1 32 ALA H 3.200 . 3.200 2.460 2.290 2.549 . 0 0 "[ . 1 . 2]" 1
77 1 84 GLU HA 1 87 ALA H 3.900 . 3.900 3.567 3.378 3.690 . 0 0 "[ . 1 . 2]" 1
78 1 94 SER QB 1 95 LEU H 4.000 . 5.000 3.133 2.126 3.928 . 0 0 "[ . 1 . 2]" 1
79 1 62 HIS QB 1 63 ALA H 3.600 . 4.600 2.860 2.781 2.885 . 0 0 "[ . 1 . 2]" 1
80 1 86 ILE HB 1 87 ALA H 3.800 . 3.800 2.510 2.399 2.660 . 0 0 "[ . 1 . 2]" 1
81 1 95 LEU H 1 95 LEU QB 3.100 . 4.100 2.697 2.157 3.175 . 0 0 "[ . 1 . 2]" 1
82 1 58 ALA H 1 58 ALA MB 2.900 . 3.900 2.163 2.086 2.231 . 0 0 "[ . 1 . 2]" 1
83 1 87 ALA H 1 87 ALA MB 3.000 . 4.000 2.180 2.081 2.244 . 0 0 "[ . 1 . 2]" 1
84 1 63 ALA H 1 63 ALA MB 3.100 . 4.100 2.103 2.022 2.228 . 0 0 "[ . 1 . 2]" 1
85 1 32 ALA H 1 32 ALA MB 3.200 . 4.200 2.193 2.110 2.286 . 0 0 "[ . 1 . 2]" 1
86 1 63 ALA H 1 64 VAL MG1 4.000 . 5.000 4.121 3.970 4.313 . 0 0 "[ . 1 . 2]" 1
87 1 63 ALA H 1 64 VAL MG2 4.500 . 5.500 3.992 3.766 4.065 . 0 0 "[ . 1 . 2]" 1
88 1 28 ALA MB 1 46 LEU H 3.600 . 4.600 2.070 1.952 2.464 . 0 0 "[ . 1 . 2]" 1
89 1 56 ASN H 1 57 LEU H 3.600 . 3.600 2.674 2.583 2.774 . 0 0 "[ . 1 . 2]" 1
90 1 59 ALA H 1 60 LEU H 3.700 . 3.700 2.575 2.413 2.648 . 0 0 "[ . 1 . 2]" 1
91 1 64 VAL H 1 65 GLU H 3.700 . 3.700 2.728 2.692 2.766 . 0 0 "[ . 1 . 2]" 1
92 1 14 LEU H 1 15 ALA H 3.800 . 3.800 2.686 2.550 2.828 . 0 0 "[ . 1 . 2]" 1
93 1 85 ALA H 1 86 ILE H 3.600 . 3.600 2.697 2.576 2.788 . 0 0 "[ . 1 . 2]" 1
94 1 84 GLU H 1 85 ALA H 3.300 . 3.300 2.651 2.493 2.763 . 0 0 "[ . 1 . 2]" 1
95 1 5 LEU H 1 6 LEU H 3.700 . 3.700 2.655 2.525 2.812 . 0 0 "[ . 1 . 2]" 1
96 1 56 ASN HA 1 59 ALA H 4.000 . 4.000 3.667 3.438 3.904 . 0 0 "[ . 1 . 2]" 1
97 1 56 ASN H 1 56 ASN HB3 3.800 . 3.800 3.448 2.765 3.594 . 0 0 "[ . 1 . 2]" 1
98 1 56 ASN H 1 56 ASN HB2 3.800 . 3.800 2.289 2.083 3.579 . 0 0 "[ . 1 . 2]" 1
99 1 65 GLU H 1 65 GLU QG 4.000 . 5.000 3.296 2.035 4.056 . 0 0 "[ . 1 . 2]" 1
100 1 84 GLU QG 1 85 ALA H 4.000 . 5.000 4.156 1.986 4.555 . 0 0 "[ . 1 . 2]" 1
101 1 65 GLU H 1 65 GLU QB 3.400 . 4.400 2.228 2.040 2.531 . 0 0 "[ . 1 . 2]" 1
102 1 84 GLU QB 1 85 ALA H 3.400 . 4.400 2.679 2.437 3.383 . 0 0 "[ . 1 . 2]" 1
103 1 6 LEU H 1 6 LEU HG 3.700 . 3.700 2.707 1.978 3.711 0.011 17 0 "[ . 1 . 2]" 1
104 1 59 ALA H 1 59 ALA MB 3.000 . 4.000 2.163 2.073 2.254 . 0 0 "[ . 1 . 2]" 1
105 1 9 LYS H 1 9 LYS QD 3.800 . 4.800 4.162 3.408 4.691 . 0 0 "[ . 1 . 2]" 1
106 1 6 LEU H 1 6 LEU QB 3.500 . 4.500 2.315 2.075 2.637 . 0 0 "[ . 1 . 2]" 1
107 1 15 ALA H 1 15 ALA MB 3.000 . 4.000 2.160 2.061 2.253 . 0 0 "[ . 1 . 2]" 1
108 1 5 LEU QB 1 6 LEU H 3.800 . 4.800 2.762 2.285 3.548 . 0 0 "[ . 1 . 2]" 1
109 1 85 ALA H 1 85 ALA MB 3.100 . 4.100 2.153 2.036 2.236 . 0 0 "[ . 1 . 2]" 1
110 1 50 LEU H 1 50 LEU HB3 3.900 . 3.900 3.228 2.537 3.587 . 0 0 "[ . 1 . 2]" 1
111 1 6 LEU H 1 6 LEU QD 4.100 . 5.100 3.061 1.881 3.575 . 0 0 "[ . 1 . 2]" 1
112 1 50 LEU H 1 50 LEU MD1 5.200 . 6.200 3.640 3.147 4.028 . 0 0 "[ . 1 . 2]" 1
113 1 68 GLN HA 1 69 LEU H 3.300 . 3.300 2.836 2.825 2.896 . 0 0 "[ . 1 . 2]" 1
114 1 67 GLN HA 1 69 LEU H 3.900 . 3.900 3.322 3.277 3.389 . 0 0 "[ . 1 . 2]" 1
115 1 67 GLN QB 1 69 LEU H 4.000 . 5.000 4.040 3.620 4.450 . 0 0 "[ . 1 . 2]" 1
116 1 8 GLU QB 1 9 LYS H 3.600 . 4.600 2.840 2.418 3.548 . 0 0 "[ . 1 . 2]" 1
117 1 9 LYS QB 1 10 LEU H 3.500 . 4.500 2.593 2.330 3.445 . 0 0 "[ . 1 . 2]" 1
118 1 9 LYS H 1 9 LYS QB 3.100 . 4.100 2.177 2.060 2.583 . 0 0 "[ . 1 . 2]" 1
119 1 69 LEU H 1 69 LEU HB2 3.800 . 3.800 2.447 2.179 2.811 . 0 0 "[ . 1 . 2]" 1
120 1 69 LEU H 1 69 LEU HG 4.000 . 4.000 2.877 1.974 4.013 0.013 16 0 "[ . 1 . 2]" 1
121 1 69 LEU H 1 69 LEU MD1 4.000 . 5.000 3.171 2.183 3.764 . 0 0 "[ . 1 . 2]" 1
122 1 50 LEU H 1 51 ASP H 3.700 . 3.700 2.706 2.493 2.776 . 0 0 "[ . 1 . 2]" 1
123 1 13 GLN H 1 14 LEU H 3.500 . 3.500 2.628 2.515 2.749 . 0 0 "[ . 1 . 2]" 1
124 1 76 ALA H 1 77 GLU H 3.600 . 3.600 2.740 2.634 2.822 . 0 0 "[ . 1 . 2]" 1
125 1 48 ALA HA 1 51 ASP H 4.000 . 4.000 3.662 3.392 3.933 . 0 0 "[ . 1 . 2]" 1
126 1 51 ASP H 1 51 ASP QB 3.600 . 4.600 2.163 2.047 2.279 . 0 0 "[ . 1 . 2]" 1
127 1 14 LEU H 1 14 LEU HB2 3.600 . 3.600 2.246 2.053 2.568 . 0 0 "[ . 1 . 2]" 1
128 1 75 LEU H 1 75 LEU HB2 3.800 . 3.800 2.326 2.146 2.588 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU H 1 10 LEU HB3 4.000 . 4.000 3.305 2.630 3.586 . 0 0 "[ . 1 . 2]" 1
130 1 80 ALA H 1 80 ALA MB 3.000 . 4.000 2.145 2.073 2.238 . 0 0 "[ . 1 . 2]" 1
131 1 76 ALA H 1 76 ALA MB 3.000 . 4.000 2.160 2.097 2.233 . 0 0 "[ . 1 . 2]" 1
132 1 14 LEU H 1 14 LEU HB3 3.600 . 3.600 2.878 2.452 3.385 . 0 0 "[ . 1 . 2]" 1
133 1 90 ALA H 1 90 ALA MB 3.200 . 4.200 2.144 2.062 2.233 . 0 0 "[ . 1 . 2]" 1
134 1 50 LEU HB3 1 51 ASP H 4.000 . 4.000 3.069 2.351 3.936 . 0 0 "[ . 1 . 2]" 1
135 1 75 LEU H 1 75 LEU HB3 3.800 . 3.800 3.543 3.460 3.588 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU H 1 10 LEU HB2 4.000 . 4.000 2.233 2.069 3.586 . 0 0 "[ . 1 . 2]" 1
137 1 75 LEU H 1 75 LEU MD1 4.400 . 5.400 2.904 2.227 3.644 . 0 0 "[ . 1 . 2]" 1
138 1 14 LEU H 1 83 LEU MD1 4.000 . 5.000 2.905 2.222 3.684 . 0 0 "[ . 1 . 2]" 1
139 1 60 LEU MD2 1 76 ALA H 4.200 . 5.200 4.614 3.140 5.203 0.003 11 0 "[ . 1 . 2]" 1
140 1 75 LEU H 1 75 LEU MD2 4.400 . 5.400 4.042 3.627 4.255 . 0 0 "[ . 1 . 2]" 1
141 1 79 LEU H 1 80 ALA H 3.600 . 3.600 2.706 2.593 2.811 . 0 0 "[ . 1 . 2]" 1
142 1 47 GLN H 1 48 ALA H 3.900 . 3.900 2.651 2.532 2.773 . 0 0 "[ . 1 . 2]" 1
143 1 78 HIS H 1 79 LEU H 3.700 . 3.700 2.634 2.543 2.701 . 0 0 "[ . 1 . 2]" 1
144 1 48 ALA H 1 49 CYS H 3.800 . 3.800 2.619 2.460 2.771 . 0 0 "[ . 1 . 2]" 1
145 1 78 HIS HB2 1 79 LEU H 3.900 . 3.900 3.553 3.320 3.735 . 0 0 "[ . 1 . 2]" 1
146 1 78 HIS HB3 1 79 LEU H 3.700 . 3.700 2.602 2.358 2.877 . 0 0 "[ . 1 . 2]" 1
147 1 26 GLN H 1 26 GLN QG 3.800 . 4.800 2.985 1.970 4.053 . 0 0 "[ . 1 . 2]" 1
148 1 50 LEU HB2 1 51 ASP H 4.000 . 4.000 2.992 2.392 3.740 . 0 0 "[ . 1 . 2]" 1
149 1 79 LEU H 1 79 LEU HB2 3.500 . 3.500 2.186 2.141 2.204 . 0 0 "[ . 1 . 2]" 1
150 1 26 GLN H 1 26 GLN HB2 3.700 . 3.700 2.598 2.101 3.595 . 0 0 "[ . 1 . 2]" 1
151 1 5 LEU H 1 5 LEU QB 3.400 . 4.400 2.299 2.036 2.713 . 0 0 "[ . 1 . 2]" 1
152 1 79 LEU H 1 79 LEU HG 4.200 . 4.200 2.980 2.846 3.156 . 0 0 "[ . 1 . 2]" 1
153 1 72 VAL H 1 73 ALA MB 4.600 . 5.600 4.320 4.243 4.396 . 0 0 "[ . 1 . 2]" 1
154 1 79 LEU H 1 79 LEU HB3 3.500 . 3.500 3.490 3.456 3.503 0.003 4 0 "[ . 1 . 2]" 1
155 1 4 ALA MB 1 5 LEU H 3.600 . 4.600 2.659 2.202 2.955 . 0 0 "[ . 1 . 2]" 1
156 1 81 ALA H 1 81 ALA MB 3.000 . 4.000 2.128 2.066 2.232 . 0 0 "[ . 1 . 2]" 1
157 1 5 LEU H 1 5 LEU QD 3.900 . 4.900 2.916 1.959 3.590 . 0 0 "[ . 1 . 2]" 1
158 1 14 LEU H 1 83 LEU MD2 4.000 . 5.000 3.426 2.427 4.104 . 0 0 "[ . 1 . 2]" 1
159 1 60 LEU H 1 61 ARG H 3.500 . 3.500 2.637 2.532 2.859 . 0 0 "[ . 1 . 2]" 1
160 1 82 GLN H 1 83 LEU H 3.800 . 3.800 2.734 2.612 2.856 . 0 0 "[ . 1 . 2]" 1
161 1 17 LEU H 1 18 ARG H 3.700 . 3.700 2.646 2.489 2.867 . 0 0 "[ . 1 . 2]" 1
162 1 20 ARG H 1 21 CYS H 3.700 . 3.700 2.457 2.390 2.561 . 0 0 "[ . 1 . 2]" 1
163 1 67 GLN H 1 68 GLN H 3.500 . 3.500 2.816 2.665 2.975 . 0 0 "[ . 1 . 2]" 1
164 1 77 GLU H 1 78 HIS H 3.300 . 3.300 2.687 2.639 2.742 . 0 0 "[ . 1 . 2]" 1
165 1 81 ALA H 1 82 GLN H 3.500 . 3.500 2.652 2.562 2.770 . 0 0 "[ . 1 . 2]" 1
166 1 18 ARG H 1 19 GLN H 3.800 . 3.800 2.582 2.447 2.674 . 0 0 "[ . 1 . 2]" 1
167 1 19 GLN H 1 20 ARG H 3.500 . 3.500 2.553 2.416 2.828 . 0 0 "[ . 1 . 2]" 1
168 1 26 GLN H 1 27 PHE H 3.500 . 3.500 2.628 2.448 2.826 . 0 0 "[ . 1 . 2]" 1
169 1 66 GLN HA 1 68 GLN H 5.500 . 5.500 5.000 4.686 5.330 . 0 0 "[ . 1 . 2]" 1
170 1 79 LEU HA 1 82 GLN H 4.000 . 4.000 3.553 3.411 3.752 . 0 0 "[ . 1 . 2]" 1
171 1 67 GLN HA 1 68 GLN H 3.400 . 3.400 2.696 2.560 2.828 . 0 0 "[ . 1 . 2]" 1
172 1 78 HIS H 1 78 HIS HB2 3.500 . 3.500 2.252 2.129 2.469 . 0 0 "[ . 1 . 2]" 1
173 1 82 GLN H 1 82 GLN HB2 3.700 . 3.700 2.313 2.063 3.591 . 0 0 "[ . 1 . 2]" 1
174 1 84 GLU H 1 84 GLU QG 3.800 . 4.800 3.041 1.954 3.862 . 0 0 "[ . 1 . 2]" 1
175 1 72 VAL H 1 72 VAL HB 3.800 . 3.800 2.654 2.595 2.690 . 0 0 "[ . 1 . 2]" 1
176 1 68 GLN H 1 68 GLN QG 3.000 . 4.000 3.268 2.219 4.005 0.005 15 0 "[ . 1 . 2]" 1
177 1 19 GLN QB 1 20 ARG H 3.500 . 4.500 2.661 2.194 3.572 . 0 0 "[ . 1 . 2]" 1
178 1 11 GLU H 1 11 GLU HB2 3.600 . 3.600 2.491 2.086 3.602 0.002 6 0 "[ . 1 . 2]" 1
179 1 70 PRO QG 1 72 VAL H 5.100 . 6.100 5.173 4.563 5.564 . 0 0 "[ . 1 . 2]" 1
180 1 11 GLU H 1 11 GLU HB3 3.600 . 3.600 3.160 2.530 3.581 . 0 0 "[ . 1 . 2]" 1
181 1 84 GLU H 1 84 GLU QB 3.100 . 4.100 2.226 2.050 2.630 . 0 0 "[ . 1 . 2]" 1
182 1 78 HIS H 1 78 HIS HB3 3.100 . 3.100 2.878 2.643 3.076 . 0 0 "[ . 1 . 2]" 1
183 1 68 GLN H 1 68 GLN QB 3.400 . 4.400 2.366 2.203 2.902 . 0 0 "[ . 1 . 2]" 1
184 1 20 ARG H 1 20 ARG QB 3.200 . 4.200 2.196 2.068 2.549 . 0 0 "[ . 1 . 2]" 1
185 1 18 ARG H 1 18 ARG QB 3.400 . 4.400 2.190 2.066 2.397 . 0 0 "[ . 1 . 2]" 1
186 1 61 ARG H 1 61 ARG QB 3.200 . 4.200 2.195 2.072 2.653 . 0 0 "[ . 1 . 2]" 1
187 1 42 ARG H 1 42 ARG QB 3.600 . 4.600 2.248 2.056 2.761 . 0 0 "[ . 1 . 2]" 1
188 1 75 LEU H 1 75 LEU HG 3.800 . 3.800 2.817 2.096 3.401 . 0 0 "[ . 1 . 2]" 1
189 1 26 GLN H 1 26 GLN HB3 3.700 . 3.700 3.085 2.585 3.606 . 0 0 "[ . 1 . 2]" 1
190 1 5 LEU H 1 5 LEU HG 3.600 . 3.600 2.867 2.005 3.601 0.001 18 0 "[ . 1 . 2]" 1
191 1 42 ARG H 1 42 ARG QG 3.800 . 4.800 3.544 2.154 4.085 . 0 0 "[ . 1 . 2]" 1
192 1 61 ARG H 1 61 ARG QG 3.600 . 4.600 3.632 1.950 3.996 . 0 0 "[ . 1 . 2]" 1
193 1 85 ALA MB 1 86 ILE H 3.500 . 4.500 2.533 2.436 2.677 . 0 0 "[ . 1 . 2]" 1
194 1 63 ALA MB 1 68 GLN H 3.800 . 4.800 3.677 3.431 4.080 . 0 0 "[ . 1 . 2]" 1
195 1 76 ALA MB 1 78 HIS H 4.800 . 5.800 4.394 4.229 4.558 . 0 0 "[ . 1 . 2]" 1
196 1 82 GLN H 1 82 GLN HB3 3.700 . 3.700 3.199 2.588 3.589 . 0 0 "[ . 1 . 2]" 1
197 1 60 LEU MD1 1 72 VAL H 4.100 . 5.100 4.337 3.325 5.106 0.006 11 0 "[ . 1 . 2]" 1
198 1 17 LEU MD2 1 18 ARG H 4.100 . 5.100 4.094 3.186 4.747 . 0 0 "[ . 1 . 2]" 1
199 1 68 GLN H 1 69 LEU MD1 4.200 . 5.200 4.677 2.886 5.206 0.006 3 0 "[ . 1 . 2]" 1
200 1 72 VAL H 1 72 VAL MG1 3.800 . 4.800 3.761 3.755 3.768 . 0 0 "[ . 1 . 2]" 1
201 1 72 VAL MG1 1 73 ALA H 4.000 . 5.000 3.775 3.675 3.851 . 0 0 "[ . 1 . 2]" 1
202 1 60 LEU MD2 1 61 ARG H 3.700 . 4.700 3.493 2.546 4.409 . 0 0 "[ . 1 . 2]" 1
203 1 86 ILE H 1 86 ILE MG 3.800 . 4.800 3.768 3.763 3.773 . 0 0 "[ . 1 . 2]" 1
204 1 17 LEU MD1 1 18 ARG H 4.100 . 5.100 4.573 3.508 4.926 . 0 0 "[ . 1 . 2]" 1
205 1 68 GLN H 1 69 LEU MD2 4.200 . 5.200 4.332 3.131 5.204 0.004 6 0 "[ . 1 . 2]" 1
206 1 72 VAL H 1 73 ALA H 3.700 . 3.700 2.703 2.631 2.756 . 0 0 "[ . 1 . 2]" 1
207 1 73 ALA H 1 74 TRP H 3.700 . 3.700 2.770 2.671 2.855 . 0 0 "[ . 1 . 2]" 1
208 1 11 GLU H 1 11 GLU QG 3.700 . 4.700 2.937 2.042 3.967 . 0 0 "[ . 1 . 2]" 1
209 1 72 VAL HB 1 73 ALA H 3.500 . 3.500 2.875 2.761 2.961 . 0 0 "[ . 1 . 2]" 1
210 1 7 LEU H 1 7 LEU HB2 3.700 . 3.700 2.331 2.055 3.614 . 0 0 "[ . 1 . 2]" 1
211 1 7 LEU H 1 7 LEU HB3 3.700 . 3.700 2.951 2.466 3.503 . 0 0 "[ . 1 . 2]" 1
212 1 73 ALA H 1 73 ALA MB 3.100 . 4.100 2.132 2.077 2.236 . 0 0 "[ . 1 . 2]" 1
213 1 72 VAL MG2 1 73 ALA H 4.000 . 5.000 3.833 3.774 3.889 . 0 0 "[ . 1 . 2]" 1
214 1 25 SER H 1 26 GLN H 4.000 . 4.000 2.653 2.487 2.838 . 0 0 "[ . 1 . 2]" 1
215 1 63 ALA H 1 64 VAL H 3.500 . 3.500 2.741 2.705 2.773 . 0 0 "[ . 1 . 2]" 1
216 1 49 CYS H 1 50 LEU H 3.800 . 3.800 2.634 2.498 2.763 . 0 0 "[ . 1 . 2]" 1
217 1 24 VAL H 1 25 SER H 3.200 . 3.200 2.157 1.943 2.564 . 0 0 "[ . 1 . 2]" 1
218 1 24 VAL HA 1 25 SER H 3.500 . 3.500 3.206 3.020 3.446 . 0 0 "[ . 1 . 2]" 1
219 1 25 SER H 1 25 SER QB 3.600 . 4.600 2.508 2.089 2.830 . 0 0 "[ . 1 . 2]" 1
220 1 93 TRP H 1 93 TRP HB3 3.800 . 3.800 3.571 3.567 3.574 . 0 0 "[ . 1 . 2]" 1
221 1 93 TRP H 1 93 TRP HB2 3.800 . 3.800 2.761 2.742 2.798 . 0 0 "[ . 1 . 2]" 1
222 1 49 CYS H 1 49 CYS HB2 4.100 . 4.100 2.576 2.086 3.604 . 0 0 "[ . 1 . 2]" 1
223 1 64 VAL H 1 64 VAL HB 3.700 . 3.700 3.618 3.615 3.624 . 0 0 "[ . 1 . 2]" 1
224 1 77 GLU H 1 77 GLU QB 3.300 . 4.300 2.193 2.040 2.569 . 0 0 "[ . 1 . 2]" 1
225 1 38 LEU H 1 38 LEU HB2 4.100 . 4.100 2.780 2.432 3.737 . 0 0 "[ . 1 . 2]" 1
226 1 63 ALA MB 1 64 VAL H 3.600 . 4.600 2.795 2.455 2.942 . 0 0 "[ . 1 . 2]" 1
227 1 87 ALA MB 1 88 ARG H 3.600 . 4.600 2.647 2.334 2.796 . 0 0 "[ . 1 . 2]" 1
228 1 48 ALA MB 1 49 CYS H 3.500 . 4.500 2.582 2.273 2.831 . 0 0 "[ . 1 . 2]" 1
229 1 76 ALA MB 1 77 GLU H 3.500 . 4.500 2.434 2.291 2.568 . 0 0 "[ . 1 . 2]" 1
230 1 92 ALA MB 1 93 TRP H 3.800 . 4.800 2.360 2.111 2.608 . 0 0 "[ . 1 . 2]" 1
231 1 38 LEU H 1 38 LEU HG 3.800 . 3.800 2.387 1.990 2.839 . 0 0 "[ . 1 . 2]" 1
232 1 64 VAL H 1 64 VAL MG1 3.300 . 4.300 2.142 1.973 2.331 . 0 0 "[ . 1 . 2]" 1
233 1 64 VAL H 1 64 VAL MG2 3.600 . 4.600 2.178 2.070 2.344 . 0 0 "[ . 1 . 2]" 1
234 1 7 LEU H 1 7 LEU QD 4.000 . 5.000 3.404 2.688 3.740 . 0 0 "[ . 1 . 2]" 1
235 1 24 VAL MG2 1 25 SER H 4.100 . 5.100 3.610 2.290 4.214 . 0 0 "[ . 1 . 2]" 1
236 1 74 TRP H 1 75 LEU H 3.600 . 3.600 2.666 2.550 2.738 . 0 0 "[ . 1 . 2]" 1
237 1 71 GLN H 1 72 VAL H 3.400 . 3.400 2.460 2.409 2.663 . 0 0 "[ . 1 . 2]" 1
238 1 7 LEU H 1 8 GLU H 3.800 . 3.800 2.639 2.457 2.773 . 0 0 "[ . 1 . 2]" 1
239 1 45 THR HB 1 47 GLN H 4.000 . 4.000 3.200 2.770 3.616 . 0 0 "[ . 1 . 2]" 1
240 1 74 TRP H 1 74 TRP HB3 3.400 . 3.400 2.980 2.821 3.112 . 0 0 "[ . 1 . 2]" 1
241 1 74 TRP H 1 74 TRP HB2 3.400 . 3.400 2.183 2.109 2.294 . 0 0 "[ . 1 . 2]" 1
242 1 71 GLN H 1 71 GLN QG 4.000 . 5.000 3.595 2.188 3.997 . 0 0 "[ . 1 . 2]" 1
243 1 19 GLN H 1 19 GLN QG 4.000 . 5.000 3.524 2.294 4.035 . 0 0 "[ . 1 . 2]" 1
244 1 8 GLU H 1 8 GLU HG3 4.100 . 4.100 3.124 2.433 4.074 . 0 0 "[ . 1 . 2]" 1
245 1 77 GLU H 1 77 GLU QG 3.800 . 4.800 3.252 2.025 4.024 . 0 0 "[ . 1 . 2]" 1
246 1 8 GLU H 1 8 GLU QB 3.300 . 4.300 2.299 2.040 2.594 . 0 0 "[ . 1 . 2]" 1
247 1 47 GLN H 1 47 GLN HB2 3.800 . 3.800 3.291 2.177 3.595 . 0 0 "[ . 1 . 2]" 1
248 1 18 ARG QB 1 19 GLN H 3.800 . 4.800 2.818 2.503 3.549 . 0 0 "[ . 1 . 2]" 1
249 1 83 LEU H 1 83 LEU HB2 3.900 . 3.900 2.148 2.041 2.804 . 0 0 "[ . 1 . 2]" 1
250 1 47 GLN H 1 47 GLN HB3 3.800 . 3.800 2.599 2.476 2.939 . 0 0 "[ . 1 . 2]" 1
251 1 7 LEU HB2 1 8 GLU H 3.900 . 3.900 3.441 2.842 3.903 0.003 19 0 "[ . 1 . 2]" 1
252 1 7 LEU HB3 1 8 GLU H 3.900 . 3.900 2.834 2.320 3.894 . 0 0 "[ . 1 . 2]" 1
253 1 82 GLN HB3 1 83 LEU H 4.200 . 4.200 2.912 2.296 4.035 . 0 0 "[ . 1 . 2]" 1
254 1 73 ALA MB 1 74 TRP H 3.400 . 4.400 2.444 2.278 2.670 . 0 0 "[ . 1 . 2]" 1
255 1 46 LEU QB 1 47 GLN H 3.900 . 4.900 2.404 2.247 2.674 . 0 0 "[ . 1 . 2]" 1
256 1 83 LEU H 1 83 LEU HB3 3.900 . 3.900 3.101 2.233 3.558 . 0 0 "[ . 1 . 2]" 1
257 1 7 LEU QD 1 8 GLU H 4.100 . 5.100 3.680 2.279 4.195 . 0 0 "[ . 1 . 2]" 1
258 1 83 LEU H 1 83 LEU MD2 4.100 . 5.100 4.139 2.866 4.416 . 0 0 "[ . 1 . 2]" 1
259 1 38 LEU H 1 39 PHE H 3.500 . 3.500 2.186 1.982 2.380 . 0 0 "[ . 1 . 2]" 1
260 1 40 GLN HA 1 41 THR H 3.300 . 3.300 2.467 2.298 2.529 . 0 0 "[ . 1 . 2]" 1
261 1 39 PHE H 1 39 PHE HB3 3.900 . 3.900 3.654 3.453 3.771 . 0 0 "[ . 1 . 2]" 1
262 1 39 PHE H 1 39 PHE HB2 3.900 . 3.900 2.491 2.354 2.650 . 0 0 "[ . 1 . 2]" 1
263 1 8 GLU H 1 8 GLU HG2 4.100 . 4.100 3.103 2.001 4.096 . 0 0 "[ . 1 . 2]" 1
264 1 67 GLN H 1 67 GLN QB 3.700 . 4.700 3.295 3.113 3.407 . 0 0 "[ . 1 . 2]" 1
265 1 67 GLN H 1 67 GLN QG 3.900 . 4.900 2.798 2.578 3.018 . 0 0 "[ . 1 . 2]" 1
266 1 19 GLN H 1 19 GLN QB 3.200 . 4.200 2.165 2.069 2.567 . 0 0 "[ . 1 . 2]" 1
267 1 61 ARG H 1 62 HIS H 3.600 . 3.600 2.628 2.496 2.748 . 0 0 "[ . 1 . 2]" 1
268 1 62 HIS H 1 63 ALA H 3.500 . 3.500 2.435 2.417 2.467 . 0 0 "[ . 1 . 2]" 1
269 1 62 HIS H 1 62 HIS QB 3.100 . 4.100 2.269 2.246 2.279 . 0 0 "[ . 1 . 2]" 1
270 1 61 ARG QB 1 62 HIS H 3.500 . 4.500 2.657 2.388 3.502 . 0 0 "[ . 1 . 2]" 1
271 1 61 ARG QG 1 62 HIS H 3.900 . 4.900 4.094 2.242 4.475 . 0 0 "[ . 1 . 2]" 1
272 1 41 THR H 1 41 THR MG 3.600 . 4.600 2.780 1.981 3.759 . 0 0 "[ . 1 . 2]" 1
273 1 29 THR H 1 29 THR HB 3.700 . 3.700 3.183 2.891 3.697 . 0 0 "[ . 1 . 2]" 1
274 1 28 ALA HA 1 29 THR H 3.100 . 3.100 2.143 2.138 2.152 . 0 0 "[ . 1 . 2]" 1
275 1 28 ALA MB 1 29 THR H 3.600 . 4.600 3.163 3.090 3.223 . 0 0 "[ . 1 . 2]" 1
276 1 36 ARG H 1 37 HIS H 3.700 . 3.700 2.618 2.533 2.772 . 0 0 "[ . 1 . 2]" 1
277 1 37 HIS H 1 38 LEU H 3.700 . 3.700 2.468 2.280 2.573 . 0 0 "[ . 1 . 2]" 1
278 1 16 THR H 1 16 THR HB 3.400 . 3.400 2.643 2.512 2.914 . 0 0 "[ . 1 . 2]" 1
279 1 13 GLN HA 1 16 THR H 3.700 . 3.700 3.644 3.426 3.706 0.006 4 0 "[ . 1 . 2]" 1
280 1 37 HIS H 1 37 HIS HB3 3.600 . 3.600 3.198 2.654 3.602 0.002 7 0 "[ . 1 . 2]" 1
281 1 37 HIS H 1 37 HIS HB2 3.600 . 3.600 2.258 2.107 2.460 . 0 0 "[ . 1 . 2]" 1
282 1 15 ALA MB 1 16 THR H 3.400 . 4.400 2.452 2.301 2.666 . 0 0 "[ . 1 . 2]" 1
283 1 16 THR H 1 16 THR MG 3.800 . 4.800 3.567 2.082 3.757 . 0 0 "[ . 1 . 2]" 1
284 1 29 THR H 1 29 THR MG 3.800 . 4.800 3.478 2.162 4.027 . 0 0 "[ . 1 . 2]" 1
285 1 94 SER H 1 94 SER QB 3.600 . 4.600 2.450 2.070 3.438 . 0 0 "[ . 1 . 2]" 1
286 1 2 LYS QB 1 3 THR H 4.100 . 5.100 3.107 2.009 4.029 . 0 0 "[ . 1 . 2]" 1
287 1 32 ALA H 1 33 ARG H 3.900 . 3.900 2.512 2.382 2.602 . 0 0 "[ . 1 . 2]" 1
288 1 93 TRP H 1 94 SER H 3.600 . 3.600 2.670 2.626 2.711 . 0 0 "[ . 1 . 2]" 1
289 1 27 PHE H 1 27 PHE HB3 4.000 . 4.000 3.342 2.750 3.784 . 0 0 "[ . 1 . 2]" 1
290 1 27 PHE H 1 27 PHE HB2 4.000 . 4.000 2.586 2.297 3.743 . 0 0 "[ . 1 . 2]" 1
291 1 66 GLN H 1 66 GLN HB2 3.500 . 3.500 2.328 2.184 2.707 . 0 0 "[ . 1 . 2]" 1
292 1 33 ARG H 1 33 ARG QB 3.700 . 4.700 2.332 2.140 2.855 . 0 0 "[ . 1 . 2]" 1
293 1 33 ARG H 1 33 ARG QG 3.500 . 4.500 3.119 2.052 3.944 . 0 0 "[ . 1 . 2]" 1
294 1 32 ALA MB 1 33 ARG H 3.500 . 4.500 3.311 3.174 3.374 . 0 0 "[ . 1 . 2]" 1
295 1 65 GLU H 1 66 GLN H 3.600 . 3.600 2.515 2.454 2.661 . 0 0 "[ . 1 . 2]" 1
296 1 66 GLN H 1 67 GLN H 3.500 . 3.500 2.641 2.462 2.713 . 0 0 "[ . 1 . 2]" 1
297 1 66 GLN H 1 66 GLN QG 3.300 . 4.300 3.800 3.310 4.131 . 0 0 "[ . 1 . 2]" 1
298 1 66 GLN H 1 66 GLN HB3 3.500 . 3.500 3.134 2.695 3.487 . 0 0 "[ . 1 . 2]" 1
299 1 91 SER H 1 92 ALA H 3.600 . 3.600 2.546 2.444 2.672 . 0 0 "[ . 1 . 2]" 1
300 1 91 SER H 1 91 SER QB 3.300 . 4.300 2.261 2.088 2.562 . 0 0 "[ . 1 . 2]" 1
301 1 90 ALA MB 1 91 SER H 3.600 . 4.600 2.584 2.278 2.742 . 0 0 "[ . 1 . 2]" 1
302 1 71 GLN H 1 71 GLN HE21 3.900 . 3.900 3.007 2.105 3.902 0.002 18 0 "[ . 1 . 2]" 1
303 1 21 CYS H 1 21 CYS HB2 4.000 . 4.000 2.400 2.199 2.819 . 0 0 "[ . 1 . 2]" 1
304 1 21 CYS H 1 21 CYS HB3 4.000 . 4.000 3.291 2.635 3.731 . 0 0 "[ . 1 . 2]" 1
305 1 20 ARG QB 1 21 CYS H 3.900 . 4.900 2.818 2.535 3.556 . 0 0 "[ . 1 . 2]" 1
306 1 44 THR H 1 48 ALA MB 3.800 . 4.800 2.125 1.877 2.490 . 0 0 "[ . 1 . 2]" 1
307 1 43 ALA MB 1 44 THR H 3.600 . 4.600 3.578 3.439 3.675 . 0 0 "[ . 1 . 2]" 1
308 1 44 THR H 1 44 THR MG 3.500 . 4.500 2.772 1.960 3.414 . 0 0 "[ . 1 . 2]" 1
309 1 44 THR H 1 45 THR H 3.400 . 3.400 2.001 1.950 2.111 . 0 0 "[ . 1 . 2]" 1
310 1 45 THR H 1 45 THR HB 4.100 . 4.100 3.858 3.755 3.976 . 0 0 "[ . 1 . 2]" 1
311 1 44 THR HA 1 45 THR H 3.500 . 3.500 3.403 3.128 3.503 0.003 12 0 "[ . 1 . 2]" 1
312 1 45 THR H 1 48 ALA MB 3.200 . 4.200 1.958 1.843 2.127 . 0 0 "[ . 1 . 2]" 1
313 1 43 ALA MB 1 45 THR H 3.800 . 4.800 4.270 3.589 4.623 . 0 0 "[ . 1 . 2]" 1
314 1 45 THR H 1 45 THR MG 3.700 . 4.700 3.101 2.444 3.697 . 0 0 "[ . 1 . 2]" 1
315 1 24 VAL H 1 24 VAL MG1 3.800 . 4.800 3.225 1.971 3.910 . 0 0 "[ . 1 . 2]" 1
316 1 24 VAL H 1 24 VAL MG2 3.800 . 4.800 2.438 1.939 3.876 . 0 0 "[ . 1 . 2]" 1
317 1 12 GLY H 1 13 GLN H 3.400 . 3.400 2.745 2.642 2.806 . 0 0 "[ . 1 . 2]" 1
318 1 9 LYS HA 1 12 GLY H 3.600 . 3.600 3.574 3.468 3.604 0.004 15 0 "[ . 1 . 2]" 1
319 1 11 GLU HB2 1 12 GLY H 3.900 . 3.900 3.183 2.720 3.903 0.003 7 0 "[ . 1 . 2]" 1
320 1 11 GLU HB3 1 12 GLY H 3.900 . 3.900 3.277 2.356 3.904 0.004 4 0 "[ . 1 . 2]" 1
321 1 54 GLY H 1 55 ASP H 3.900 . 3.900 2.699 2.575 2.760 . 0 0 "[ . 1 . 2]" 1
322 1 53 ALA MB 1 54 GLY H 3.700 . 4.700 2.553 2.461 2.687 . 0 0 "[ . 1 . 2]" 1
323 1 14 LEU MD1 1 54 GLY H 4.500 . 5.500 4.413 3.475 5.502 0.002 5 0 "[ . 1 . 2]" 1
324 1 24 VAL H 1 24 VAL HB 4.200 . 4.200 3.242 2.687 3.817 . 0 0 "[ . 1 . 2]" 1
325 1 31 SER H 1 31 SER QB 3.500 . 4.500 2.389 2.049 2.868 . 0 0 "[ . 1 . 2]" 1
326 1 33 ARG H 1 33 ARG QD 4.600 . 5.600 4.026 2.216 4.749 . 0 0 "[ . 1 . 2]" 1
327 1 38 LEU H 1 38 LEU HB3 4.100 . 4.100 3.523 2.817 3.713 . 0 0 "[ . 1 . 2]" 1
328 1 49 CYS H 1 49 CYS HB3 4.100 . 4.100 3.035 2.513 3.568 . 0 0 "[ . 1 . 2]" 1
329 1 50 LEU H 1 50 LEU HB2 3.900 . 3.900 2.374 2.066 3.588 . 0 0 "[ . 1 . 2]" 1
330 1 50 LEU H 1 50 LEU MD2 5.200 . 6.200 3.824 3.049 4.283 . 0 0 "[ . 1 . 2]" 1
331 1 61 ARG H 1 62 HIS QB 4.700 . 5.700 4.433 4.314 4.556 . 0 0 "[ . 1 . 2]" 1
332 1 68 GLN QB 1 71 GLN H 3.700 . 4.700 3.541 3.267 3.850 . 0 0 "[ . 1 . 2]" 1
333 1 79 LEU H 1 79 LEU MD2 4.200 . 5.200 4.060 3.786 4.238 . 0 0 "[ . 1 . 2]" 1
334 1 83 LEU H 1 83 LEU MD1 4.100 . 5.100 3.906 3.263 4.262 . 0 0 "[ . 1 . 2]" 1
335 1 83 LEU H 1 83 LEU HG 4.200 . 4.200 3.858 2.637 4.235 0.035 10 0 "[ . 1 . 2]" 1
336 1 97 GLU H 1 97 GLU QG 4.300 . 5.300 3.373 2.040 4.398 . 0 0 "[ . 1 . 2]" 1
337 1 3 THR H 1 3 THR MG 4.200 . 5.200 2.932 1.970 3.768 . 0 0 "[ . 1 . 2]" 1
338 1 3 THR H 1 4 ALA H 4.100 . 4.100 2.559 2.424 2.700 . 0 0 "[ . 1 . 2]" 1
339 1 2 LYS QB 1 4 ALA H 4.800 . 5.800 3.359 2.112 4.747 . 0 0 "[ . 1 . 2]" 1
340 1 4 ALA H 1 5 LEU H 3.600 . 3.600 2.677 2.409 2.944 . 0 0 "[ . 1 . 2]" 1
341 1 88 ARG H 1 88 ARG QB 3.600 . 4.600 2.148 2.053 2.325 . 0 0 "[ . 1 . 2]" 1
342 1 74 TRP HB3 1 75 LEU H 4.200 . 4.200 2.538 2.347 2.799 . 0 0 "[ . 1 . 2]" 1
343 1 11 GLU H 1 12 GLY H 3.600 . 3.600 2.628 2.541 2.792 . 0 0 "[ . 1 . 2]" 1
344 1 10 LEU H 1 11 GLU H 3.700 . 3.700 2.742 2.609 2.836 . 0 0 "[ . 1 . 2]" 1
345 1 10 LEU H 1 10 LEU MD1 5.100 . 6.100 3.295 2.069 4.067 . 0 0 "[ . 1 . 2]" 1
346 1 10 LEU H 1 10 LEU MD2 5.100 . 6.100 3.933 2.227 4.424 . 0 0 "[ . 1 . 2]" 1
347 1 10 LEU HB2 1 11 GLU H 4.500 . 4.500 2.960 2.599 3.815 . 0 0 "[ . 1 . 2]" 1
348 1 10 LEU HB3 1 11 GLU H 4.500 . 4.500 3.002 2.399 4.095 . 0 0 "[ . 1 . 2]" 1
349 1 11 GLU QG 1 12 GLY H 4.200 . 5.200 3.858 2.014 4.514 . 0 0 "[ . 1 . 2]" 1
350 1 12 GLY H 1 14 LEU H 4.800 . 4.800 4.191 4.005 4.442 . 0 0 "[ . 1 . 2]" 1
351 1 11 GLU H 1 13 GLN H 4.400 . 4.400 4.285 4.071 4.402 0.002 4 0 "[ . 1 . 2]" 1
352 1 13 GLN QB 1 14 LEU H 4.000 . 5.000 2.561 2.325 2.716 . 0 0 "[ . 1 . 2]" 1
353 1 15 ALA H 1 16 THR H 3.500 . 3.500 2.728 2.576 2.812 . 0 0 "[ . 1 . 2]" 1
354 1 16 THR H 1 17 LEU HB2 5.500 . 5.500 4.710 4.436 4.950 . 0 0 "[ . 1 . 2]" 1
355 1 16 THR H 1 19 GLN QB 4.500 . 5.500 4.783 4.380 5.504 0.004 14 0 "[ . 1 . 2]" 1
356 1 16 THR H 1 17 LEU HB3 5.500 . 5.500 5.225 4.733 5.488 . 0 0 "[ . 1 . 2]" 1
357 1 16 THR MG 1 17 LEU H 4.200 . 5.200 3.516 1.915 4.030 . 0 0 "[ . 1 . 2]" 1
358 1 16 THR HA 1 17 LEU H 3.600 . 3.600 3.536 3.505 3.565 . 0 0 "[ . 1 . 2]" 1
359 1 18 ARG H 1 18 ARG QG 3.500 . 4.500 3.641 2.299 3.975 . 0 0 "[ . 1 . 2]" 1
360 1 18 ARG H 1 19 GLN QB 4.700 . 5.700 4.347 4.162 4.801 . 0 0 "[ . 1 . 2]" 1
361 1 18 ARG H 1 18 ARG QD 4.500 . 5.500 4.234 3.310 4.635 . 0 0 "[ . 1 . 2]" 1
362 1 18 ARG HE 1 50 LEU MD2 4.600 . 5.600 4.501 3.371 5.595 . 0 0 "[ . 1 . 2]" 1
363 1 18 ARG HE 1 50 LEU MD1 4.600 . 5.600 4.746 2.706 5.516 . 0 0 "[ . 1 . 2]" 1
364 1 16 THR HA 1 19 GLN H 4.200 . 4.200 3.548 3.402 3.690 . 0 0 "[ . 1 . 2]" 1
365 1 18 ARG QG 1 19 GLN H 4.000 . 5.000 4.187 2.253 4.586 . 0 0 "[ . 1 . 2]" 1
366 1 19 GLN H 1 50 LEU MD1 4.800 . 5.800 5.175 4.560 5.653 . 0 0 "[ . 1 . 2]" 1
367 1 20 ARG H 1 20 ARG QG 4.200 . 5.200 3.235 2.181 3.940 . 0 0 "[ . 1 . 2]" 1
368 1 20 ARG H 1 21 CYS HA 5.200 . 5.200 5.126 5.082 5.205 0.005 16 0 "[ . 1 . 2]" 1
369 1 18 ARG HA 1 21 CYS H 4.600 . 4.600 3.654 3.349 4.121 . 0 0 "[ . 1 . 2]" 1
370 1 7 LEU HA 1 10 LEU H 4.000 . 4.000 3.586 3.310 3.974 . 0 0 "[ . 1 . 2]" 1
371 1 18 ARG QG 1 21 CYS H 5.200 . 6.200 5.326 4.821 5.707 . 0 0 "[ . 1 . 2]" 1
372 1 20 ARG QG 1 21 CYS H 4.700 . 5.700 4.189 2.189 4.640 . 0 0 "[ . 1 . 2]" 1
373 1 21 CYS H 1 22 ALA MB 4.500 . 5.500 4.071 3.881 4.197 . 0 0 "[ . 1 . 2]" 1
374 1 21 CYS H 1 50 LEU MD1 4.900 . 5.900 4.141 3.507 5.261 . 0 0 "[ . 1 . 2]" 1
375 1 21 CYS H 1 50 LEU MD2 4.900 . 5.900 4.433 3.122 5.601 . 0 0 "[ . 1 . 2]" 1
376 1 20 ARG QB 1 22 ALA H 4.700 . 5.700 4.453 4.315 4.748 . 0 0 "[ . 1 . 2]" 1
377 1 20 ARG HA 1 22 ALA H 4.200 . 4.200 3.759 3.632 3.954 . 0 0 "[ . 1 . 2]" 1
378 1 20 ARG H 1 22 ALA H 4.900 . 4.900 3.836 3.675 3.988 . 0 0 "[ . 1 . 2]" 1
379 1 22 ALA H 1 24 VAL H 5.200 . 5.200 4.855 4.296 5.211 0.011 16 0 "[ . 1 . 2]" 1
380 1 23 PRO HD3 1 24 VAL H 5.100 . 5.100 4.719 4.245 4.925 . 0 0 "[ . 1 . 2]" 1
381 1 23 PRO HD2 1 24 VAL H 5.100 . 5.100 4.058 3.275 4.477 . 0 0 "[ . 1 . 2]" 1
382 1 24 VAL H 1 25 SER QB 5.400 . 6.400 4.156 3.662 4.784 . 0 0 "[ . 1 . 2]" 1
383 1 22 ALA HA 1 24 VAL H 4.400 . 4.400 3.996 3.762 4.194 . 0 0 "[ . 1 . 2]" 1
384 1 23 PRO QG 1 24 VAL H 4.600 . 5.600 4.303 3.854 4.476 . 0 0 "[ . 1 . 2]" 1
385 1 24 VAL MG1 1 25 SER H 4.100 . 5.100 4.050 2.572 4.329 . 0 0 "[ . 1 . 2]" 1
386 1 24 VAL H 1 26 GLN H 5.100 . 5.100 4.395 3.962 4.775 . 0 0 "[ . 1 . 2]" 1
387 1 26 GLN H 1 28 ALA H 4.600 . 4.600 3.918 3.744 4.081 . 0 0 "[ . 1 . 2]" 1
388 1 26 GLN H 1 27 PHE HA 5.500 . 5.500 5.231 5.117 5.339 . 0 0 "[ . 1 . 2]" 1
389 1 25 SER QB 1 26 GLN H 4.300 . 5.300 3.129 2.468 3.655 . 0 0 "[ . 1 . 2]" 1
390 1 27 PHE H 1 28 ALA MB 4.300 . 5.300 3.906 3.743 4.070 . 0 0 "[ . 1 . 2]" 1
391 1 26 GLN HB3 1 27 PHE H 4.600 . 4.600 3.283 2.339 4.123 . 0 0 "[ . 1 . 2]" 1
392 1 26 GLN HB2 1 27 PHE H 4.600 . 4.600 3.278 2.537 3.800 . 0 0 "[ . 1 . 2]" 1
393 1 26 GLN QG 1 27 PHE H 5.000 . 6.000 3.629 1.942 4.624 . 0 0 "[ . 1 . 2]" 1
394 1 25 SER HA 1 27 PHE H 5.100 . 5.100 4.371 4.033 4.779 . 0 0 "[ . 1 . 2]" 1
395 1 25 SER QB 1 27 PHE H 5.500 . 6.500 5.021 4.700 5.461 . 0 0 "[ . 1 . 2]" 1
396 1 25 SER H 1 27 PHE H 5.000 . 5.000 4.362 4.030 4.760 . 0 0 "[ . 1 . 2]" 1
397 1 27 PHE HB3 1 28 ALA H 4.500 . 4.500 4.246 4.031 4.535 0.035 3 0 "[ . 1 . 2]" 1
398 1 27 PHE HB2 1 28 ALA H 4.500 . 4.500 4.235 4.034 4.504 0.004 10 0 "[ . 1 . 2]" 1
399 1 29 THR H 1 45 THR HA 4.500 . 4.500 4.309 3.927 4.506 0.006 3 0 "[ . 1 . 2]" 1
400 1 28 ALA H 1 29 THR H 4.500 . 4.500 4.498 4.460 4.521 0.021 3 0 "[ . 1 . 2]" 1
401 1 30 LEU H 1 31 SER H 4.900 . 4.900 4.530 4.432 4.571 . 0 0 "[ . 1 . 2]" 1
402 1 30 LEU MD2 1 31 SER H 5.300 . 6.300 2.604 2.242 3.049 . 0 0 "[ . 1 . 2]" 1
403 1 30 LEU MD1 1 31 SER H 5.300 . 6.300 4.574 4.301 4.997 . 0 0 "[ . 1 . 2]" 1
404 1 30 LEU HB3 1 31 SER H 5.200 . 5.200 2.984 2.780 3.359 . 0 0 "[ . 1 . 2]" 1
405 1 30 LEU HB2 1 31 SER H 5.200 . 5.200 4.176 3.984 4.386 . 0 0 "[ . 1 . 2]" 1
406 1 32 ALA H 1 33 ARG QG 4.800 . 5.800 4.468 3.314 5.669 . 0 0 "[ . 1 . 2]" 1
407 1 32 ALA H 1 34 PHE H 4.800 . 4.800 4.547 4.418 4.657 . 0 0 "[ . 1 . 2]" 1
408 1 31 SER H 1 32 ALA H 5.100 . 5.100 4.602 4.530 4.646 . 0 0 "[ . 1 . 2]" 1
409 1 31 SER QB 1 33 ARG H 3.900 . 4.900 2.417 2.075 3.056 . 0 0 "[ . 1 . 2]" 1
410 1 34 PHE H 1 34 PHE QE 4.500 . 5.500 4.110 3.952 4.262 . 0 0 "[ . 1 . 2]" 1
411 1 34 PHE H 1 34 PHE QD 4.700 . 5.700 2.367 1.980 2.845 . 0 0 "[ . 1 . 2]" 1
412 1 33 ARG QB 1 34 PHE H 4.600 . 5.600 3.696 3.498 3.993 . 0 0 "[ . 1 . 2]" 1
413 1 33 ARG H 1 34 PHE HB3 4.700 . 4.700 4.543 4.414 4.707 0.007 12 0 "[ . 1 . 2]" 1
414 1 33 ARG QB 1 33 ARG HE 4.800 . 5.800 3.706 2.303 4.396 . 0 0 "[ . 1 . 2]" 1
415 1 33 ARG QG 1 34 PHE H 4.300 . 5.300 4.569 3.455 4.964 . 0 0 "[ . 1 . 2]" 1
416 1 32 ALA MB 1 34 PHE H 4.700 . 5.700 4.299 4.266 4.335 . 0 0 "[ . 1 . 2]" 1
417 1 35 ASP H 1 39 PHE QE 4.400 . 5.400 3.535 2.425 4.759 . 0 0 "[ . 1 . 2]" 1
418 1 34 PHE HB2 1 35 ASP H 4.700 . 4.700 2.940 2.653 3.328 . 0 0 "[ . 1 . 2]" 1
419 1 35 ASP H 1 85 ALA MB 4.700 . 5.700 5.285 4.639 5.708 0.008 4 0 "[ . 1 . 2]" 1
420 1 36 ARG H 1 38 LEU H 4.900 . 4.900 4.274 4.025 4.563 . 0 0 "[ . 1 . 2]" 1
421 1 34 PHE QE 1 36 ARG H 4.800 . 5.800 4.804 4.250 5.163 . 0 0 "[ . 1 . 2]" 1
422 1 35 ASP H 1 36 ARG H 4.700 . 4.700 4.360 4.170 4.453 . 0 0 "[ . 1 . 2]" 1
423 1 36 ARG QB 1 36 ARG HE 4.600 . 5.600 3.441 2.039 4.231 . 0 0 "[ . 1 . 2]" 1
424 1 36 ARG QG 1 37 HIS H 4.200 . 5.200 3.778 2.129 4.712 . 0 0 "[ . 1 . 2]" 1
425 1 36 ARG QB 1 37 HIS H 4.300 . 5.300 3.185 2.875 3.691 . 0 0 "[ . 1 . 2]" 1
426 1 37 HIS H 1 38 LEU HG 4.700 . 4.700 4.153 3.603 4.506 . 0 0 "[ . 1 . 2]" 1
427 1 35 ASP H 1 38 LEU H 4.500 . 4.500 4.446 4.284 4.509 0.009 11 0 "[ . 1 . 2]" 1
428 1 36 ARG HA 1 38 LEU H 4.600 . 4.600 4.224 3.897 4.545 . 0 0 "[ . 1 . 2]" 1
429 1 37 HIS H 1 38 LEU HA 5.200 . 5.200 5.132 4.972 5.207 0.007 13 0 "[ . 1 . 2]" 1
430 1 37 HIS HB3 1 38 LEU H 5.000 . 5.000 3.196 2.527 3.840 . 0 0 "[ . 1 . 2]" 1
431 1 37 HIS HB2 1 38 LEU H 5.000 . 5.000 3.326 2.937 3.782 . 0 0 "[ . 1 . 2]" 1
432 1 38 LEU H 1 38 LEU MD2 4.000 . 5.000 3.453 2.000 4.130 . 0 0 "[ . 1 . 2]" 1
433 1 38 LEU H 1 38 LEU MD1 4.000 . 5.000 3.583 3.121 3.813 . 0 0 "[ . 1 . 2]" 1
434 1 38 LEU HG 1 39 PHE H 4.800 . 4.800 3.952 2.389 4.489 . 0 0 "[ . 1 . 2]" 1
435 1 36 ARG HA 1 39 PHE H 4.600 . 4.600 3.364 3.087 3.599 . 0 0 "[ . 1 . 2]" 1
436 1 35 ASP H 1 39 PHE H 4.200 . 4.200 4.107 3.944 4.207 0.007 4 0 "[ . 1 . 2]" 1
437 1 37 HIS H 1 39 PHE H 4.900 . 4.900 3.732 3.583 3.833 . 0 0 "[ . 1 . 2]" 1
438 1 39 PHE H 1 40 GLN H 4.500 . 4.500 4.503 4.479 4.512 0.012 7 0 "[ . 1 . 2]" 1
439 1 40 GLN H 1 41 THR H 4.700 . 4.700 4.567 4.522 4.615 . 0 0 "[ . 1 . 2]" 1
440 1 38 LEU H 1 39 PHE HA 5.100 . 5.100 4.910 4.728 5.072 . 0 0 "[ . 1 . 2]" 1
441 1 39 PHE HB3 1 40 GLN H 4.800 . 4.800 2.561 2.391 2.904 . 0 0 "[ . 1 . 2]" 1
442 1 39 PHE HB2 1 40 GLN H 4.800 . 4.800 3.806 3.595 4.146 . 0 0 "[ . 1 . 2]" 1
443 1 40 GLN HB3 1 41 THR H 4.300 . 4.300 2.811 2.212 3.664 . 0 0 "[ . 1 . 2]" 1
444 1 40 GLN HB2 1 41 THR H 4.100 . 4.100 3.899 3.665 4.038 . 0 0 "[ . 1 . 2]" 1
445 1 40 GLN QG 1 41 THR H 4.200 . 5.200 2.585 1.953 3.888 . 0 0 "[ . 1 . 2]" 1
446 1 41 THR H 1 42 ARG H 4.400 . 4.400 2.583 2.426 2.704 . 0 0 "[ . 1 . 2]" 1
447 1 42 ARG QG 1 43 ALA H 4.100 . 5.100 4.548 3.529 4.927 . 0 0 "[ . 1 . 2]" 1
448 1 41 THR HA 1 43 ALA H 4.300 . 4.300 3.731 3.524 4.027 . 0 0 "[ . 1 . 2]" 1
449 1 43 ALA H 1 44 THR H 4.200 . 4.200 4.043 3.707 4.202 0.002 10 0 "[ . 1 . 2]" 1
450 1 44 THR H 1 45 THR HA 4.700 . 4.700 4.692 4.621 4.712 0.012 2 0 "[ . 1 . 2]" 1
451 1 40 GLN HB3 1 43 ALA H 4.800 . 4.800 3.238 2.445 4.024 . 0 0 "[ . 1 . 2]" 1
452 1 40 GLN QG 1 43 ALA H 5.000 . 6.000 4.800 3.226 5.708 . 0 0 "[ . 1 . 2]" 1
453 1 40 GLN HB2 1 43 ALA H 4.700 . 4.700 4.302 3.523 4.705 0.005 8 0 "[ . 1 . 2]" 1
454 1 41 THR MG 1 43 ALA H 4.100 . 5.100 4.685 4.162 5.108 0.008 7 0 "[ . 1 . 2]" 1
455 1 43 ALA H 1 44 THR MG 4.700 . 5.700 4.163 3.289 5.210 . 0 0 "[ . 1 . 2]" 1
456 1 30 LEU H 1 45 THR H 5.500 . 5.500 5.293 4.932 5.504 0.004 2 0 "[ . 1 . 2]" 1
457 1 45 THR H 1 46 LEU H 4.800 . 4.800 4.405 4.370 4.468 . 0 0 "[ . 1 . 2]" 1
458 1 30 LEU MD1 1 45 THR H 4.700 . 5.700 2.623 2.014 3.037 . 0 0 "[ . 1 . 2]" 1
459 1 30 LEU MD2 1 45 THR H 4.700 . 5.700 4.972 4.470 5.520 . 0 0 "[ . 1 . 2]" 1
460 1 53 ALA HA 1 56 ASN H 4.100 . 4.100 3.459 3.333 4.011 . 0 0 "[ . 1 . 2]" 1
461 1 46 LEU H 1 46 LEU MD2 4.100 . 5.100 3.645 3.110 4.281 . 0 0 "[ . 1 . 2]" 1
462 1 46 LEU H 1 46 LEU MD1 4.100 . 5.100 3.399 2.868 3.672 . 0 0 "[ . 1 . 2]" 1
463 1 46 LEU H 1 46 LEU HG 3.500 . 3.500 2.429 2.003 3.234 . 0 0 "[ . 1 . 2]" 1
464 1 46 LEU H 1 46 LEU QB 3.600 . 4.600 2.375 2.175 2.561 . 0 0 "[ . 1 . 2]" 1
465 1 45 THR HB 1 48 ALA H 4.400 . 4.400 3.712 2.788 4.277 . 0 0 "[ . 1 . 2]" 1
466 1 47 GLN HB3 1 48 ALA H 4.200 . 4.200 3.686 2.554 4.078 . 0 0 "[ . 1 . 2]" 1
467 1 47 GLN HB2 1 48 ALA H 4.200 . 4.200 3.821 3.551 4.037 . 0 0 "[ . 1 . 2]" 1
468 1 48 ALA H 1 51 ASP QB 5.500 . 6.500 4.872 4.618 5.095 . 0 0 "[ . 1 . 2]" 1
469 1 49 CYS H 1 51 ASP H 4.300 . 4.300 4.203 3.931 4.306 0.006 6 0 "[ . 1 . 2]" 1
470 1 46 LEU HA 1 49 CYS H 4.200 . 4.200 3.537 3.325 3.822 . 0 0 "[ . 1 . 2]" 1
471 1 48 ALA H 1 48 ALA MB 3.200 . 4.200 2.148 2.049 2.257 . 0 0 "[ . 1 . 2]" 1
472 1 48 ALA MB 1 51 ASP H 5.100 . 6.100 4.769 4.556 4.922 . 0 0 "[ . 1 . 2]" 1
473 1 49 CYS HA 1 52 GLU H 4.300 . 4.300 3.551 3.427 3.710 . 0 0 "[ . 1 . 2]" 1
474 1 52 GLU H 1 53 ALA H 3.500 . 3.500 2.676 2.596 2.791 . 0 0 "[ . 1 . 2]" 1
475 1 51 ASP H 1 52 GLU H 3.700 . 3.700 2.673 2.597 2.750 . 0 0 "[ . 1 . 2]" 1
476 1 52 GLU QG 1 53 ALA H 4.400 . 5.400 4.164 1.929 4.478 . 0 0 "[ . 1 . 2]" 1
477 1 53 ALA H 1 54 GLY HA2 5.500 . 5.500 5.304 5.252 5.369 . 0 0 "[ . 1 . 2]" 1
478 1 49 CYS HA 1 53 ALA H 4.400 . 4.400 4.132 3.835 4.359 . 0 0 "[ . 1 . 2]" 1
479 1 50 LEU HA 1 53 ALA H 4.500 . 4.500 3.552 3.450 3.754 . 0 0 "[ . 1 . 2]" 1
480 1 53 ALA H 1 54 GLY H 3.400 . 3.400 2.701 2.639 2.779 . 0 0 "[ . 1 . 2]" 1
481 1 52 GLU H 1 54 GLY H 4.700 . 4.700 4.207 3.966 4.375 . 0 0 "[ . 1 . 2]" 1
482 1 51 ASP HA 1 54 GLY H 4.500 . 4.500 3.513 3.400 3.685 . 0 0 "[ . 1 . 2]" 1
483 1 52 GLU HA 1 54 GLY H 4.500 . 4.500 4.470 4.356 4.508 0.008 13 0 "[ . 1 . 2]" 1
484 1 54 GLY H 1 82 GLN HE22 5.300 . 5.300 5.120 4.739 5.301 0.001 2 0 "[ . 1 . 2]" 1
485 1 52 GLU QG 1 54 GLY H 5.500 . 6.500 5.845 4.232 6.191 . 0 0 "[ . 1 . 2]" 1
486 1 14 LEU MD2 1 54 GLY H 4.500 . 5.500 4.141 3.074 5.335 . 0 0 "[ . 1 . 2]" 1
487 1 55 ASP H 1 57 LEU H 4.600 . 4.600 4.258 3.840 4.473 . 0 0 "[ . 1 . 2]" 1
488 1 52 GLU H 1 55 ASP H 5.300 . 5.300 4.855 4.743 4.946 . 0 0 "[ . 1 . 2]" 1
489 1 55 ASP H 1 58 ALA H 5.500 . 5.500 4.759 4.599 4.977 . 0 0 "[ . 1 . 2]" 1
490 1 53 ALA HA 1 55 ASP H 4.600 . 4.600 4.390 4.142 4.601 0.001 4 0 "[ . 1 . 2]" 1
491 1 51 ASP HA 1 55 ASP H 4.700 . 4.700 4.326 4.147 4.423 . 0 0 "[ . 1 . 2]" 1
492 1 53 ALA MB 1 55 ASP H 4.900 . 5.900 4.512 4.334 4.606 . 0 0 "[ . 1 . 2]" 1
493 1 52 GLU HA 1 56 ASN H 4.500 . 4.500 4.214 4.051 4.444 . 0 0 "[ . 1 . 2]" 1
494 1 56 ASN H 1 58 ALA H 5.400 . 5.400 4.046 3.850 4.474 . 0 0 "[ . 1 . 2]" 1
495 1 86 ILE H 1 87 ALA H 3.500 . 3.500 2.664 2.554 2.724 . 0 0 "[ . 1 . 2]" 1
496 1 57 LEU H 1 59 ALA H 4.800 . 4.800 4.246 3.804 4.550 . 0 0 "[ . 1 . 2]" 1
497 1 56 ASN HB3 1 57 LEU H 4.700 . 4.700 3.211 2.738 4.135 . 0 0 "[ . 1 . 2]" 1
498 1 57 LEU H 1 79 LEU MD2 4.400 . 5.400 2.602 2.012 3.600 . 0 0 "[ . 1 . 2]" 1
499 1 57 LEU H 1 57 LEU HG 4.000 . 4.000 2.599 1.986 4.025 0.025 20 0 "[ . 1 . 2]" 1
500 1 56 ASN HB2 1 57 LEU H 4.700 . 4.700 2.766 2.406 3.724 . 0 0 "[ . 1 . 2]" 1
501 1 56 ASN HD22 1 82 GLN HE22 5.100 . 5.100 3.782 2.613 5.101 0.001 14 0 "[ . 1 . 2]" 1
502 1 56 ASN HD21 1 82 GLN HE22 5.100 . 5.100 2.956 2.001 4.716 . 0 0 "[ . 1 . 2]" 1
503 1 56 ASN HD21 1 82 GLN HE21 5.100 . 5.100 3.737 3.196 4.702 . 0 0 "[ . 1 . 2]" 1
504 1 56 ASN HD22 1 82 GLN HE21 5.100 . 5.100 4.699 2.737 5.102 0.002 2 0 "[ . 1 . 2]" 1
505 1 40 GLN HB2 1 56 ASN HD21 4.900 . 4.900 4.888 4.652 4.905 0.005 8 0 "[ . 1 . 2]" 1
506 1 40 GLN HB2 1 56 ASN HD22 4.900 . 4.900 3.986 3.376 4.902 0.002 13 0 "[ . 1 . 2]" 1
507 1 56 ASN H 1 79 LEU MD2 4.400 . 5.400 3.963 3.547 5.329 . 0 0 "[ . 1 . 2]" 1
508 1 54 GLY H 1 82 GLN HE21 5.300 . 5.300 5.239 4.956 5.307 0.007 11 0 "[ . 1 . 2]" 1
509 1 37 HIS HA 1 39 PHE H 4.600 . 4.600 4.502 4.298 4.608 0.008 10 0 "[ . 1 . 2]" 1
510 1 91 SER H 1 93 TRP H 5.400 . 5.400 4.507 4.254 4.715 . 0 0 "[ . 1 . 2]" 1
511 1 55 ASP HA 1 58 ALA H 4.200 . 4.200 3.567 3.361 3.853 . 0 0 "[ . 1 . 2]" 1
512 1 60 LEU H 1 61 ARG QB 5.200 . 6.200 4.401 4.198 5.200 . 0 0 "[ . 1 . 2]" 1
513 1 56 ASN HA 1 60 LEU H 4.600 . 4.600 4.182 3.874 4.438 . 0 0 "[ . 1 . 2]" 1
514 1 58 ALA H 1 60 LEU H 4.400 . 4.400 3.949 3.842 4.158 . 0 0 "[ . 1 . 2]" 1
515 1 60 LEU MD1 1 61 ARG H 4.200 . 5.200 4.649 4.287 4.890 . 0 0 "[ . 1 . 2]" 1
516 1 59 ALA H 1 62 HIS H 5.200 . 5.200 4.847 4.676 5.006 . 0 0 "[ . 1 . 2]" 1
517 1 61 ARG H 1 63 ALA H 4.700 . 4.700 3.873 3.742 4.105 . 0 0 "[ . 1 . 2]" 1
518 1 61 ARG HA 1 64 VAL H 4.300 . 4.300 3.998 3.725 4.143 . 0 0 "[ . 1 . 2]" 1
519 1 64 VAL MG2 1 65 GLU H 4.000 . 5.000 2.078 1.975 2.218 . 0 0 "[ . 1 . 2]" 1
520 1 64 VAL MG1 1 65 GLU H 4.300 . 5.300 3.978 3.931 4.038 . 0 0 "[ . 1 . 2]" 1
521 1 64 VAL H 1 66 GLN H 4.800 . 4.800 4.194 4.027 4.326 . 0 0 "[ . 1 . 2]" 1
522 1 66 GLN H 1 67 GLN HA 4.800 . 4.800 4.710 4.547 4.799 . 0 0 "[ . 1 . 2]" 1
523 1 64 VAL HA 1 66 GLN H 4.900 . 4.900 4.059 3.875 4.166 . 0 0 "[ . 1 . 2]" 1
524 1 67 GLN H 1 69 LEU MD2 5.200 . 6.200 5.162 3.977 6.200 0.000 5 0 "[ . 1 . 2]" 1
525 1 67 GLN H 1 69 LEU MD1 5.200 . 6.200 5.443 4.096 6.204 0.004 4 0 "[ . 1 . 2]" 1
526 1 64 VAL MG1 1 67 GLN H 5.500 . 6.500 5.465 5.079 5.702 . 0 0 "[ . 1 . 2]" 1
527 1 67 GLN H 1 68 GLN QB 4.700 . 5.700 4.544 4.343 4.945 . 0 0 "[ . 1 . 2]" 1
528 1 66 GLN QG 1 67 GLN H 4.800 . 5.800 4.650 4.438 4.955 . 0 0 "[ . 1 . 2]" 1
529 1 65 GLU HA 1 67 GLN H 4.400 . 4.400 3.653 3.559 3.844 . 0 0 "[ . 1 . 2]" 1
530 1 64 VAL HA 1 67 GLN H 4.200 . 4.200 3.750 3.312 4.044 . 0 0 "[ . 1 . 2]" 1
531 1 66 GLN H 1 68 GLN H 4.300 . 4.300 3.683 3.427 4.030 . 0 0 "[ . 1 . 2]" 1
532 1 68 GLN H 1 69 LEU H 4.200 . 4.200 2.888 2.528 3.008 . 0 0 "[ . 1 . 2]" 1
533 1 69 LEU H 1 69 LEU MD2 4.000 . 5.000 3.144 1.955 3.902 . 0 0 "[ . 1 . 2]" 1
534 1 69 LEU H 1 69 LEU HB3 3.800 . 3.800 3.555 3.487 3.592 . 0 0 "[ . 1 . 2]" 1
535 1 68 GLN QG 1 71 GLN HE21 4.600 . 5.600 4.209 1.958 5.188 . 0 0 "[ . 1 . 2]" 1
536 1 68 GLN QG 1 71 GLN HE22 5.300 . 6.300 4.288 2.502 6.262 . 0 0 "[ . 1 . 2]" 1
537 1 68 GLN QB 1 71 GLN HE21 4.700 . 5.700 4.297 2.036 5.702 0.002 18 0 "[ . 1 . 2]" 1
538 1 72 VAL H 1 74 TRP H 4.800 . 4.800 4.575 4.353 4.733 . 0 0 "[ . 1 . 2]" 1
539 1 71 GLN HE21 1 72 VAL H 5.300 . 5.300 4.951 4.486 5.304 0.004 18 0 "[ . 1 . 2]" 1
540 1 71 GLN HA 1 73 ALA H 4.500 . 4.500 3.825 3.677 4.071 . 0 0 "[ . 1 . 2]" 1
541 1 72 VAL H 1 72 VAL MG2 3.800 . 4.800 1.970 1.910 2.107 . 0 0 "[ . 1 . 2]" 1
542 1 60 LEU MD1 1 73 ALA H 5.400 . 6.400 4.849 4.626 5.112 . 0 0 "[ . 1 . 2]" 1
543 1 73 ALA H 1 74 TRP HB2 5.100 . 5.100 4.781 4.621 4.966 . 0 0 "[ . 1 . 2]" 1
544 1 74 TRP H 1 74 TRP HD1 4.500 . 4.500 4.222 3.938 4.502 0.002 16 0 "[ . 1 . 2]" 1
545 1 72 VAL HB 1 74 TRP H 5.500 . 5.500 5.390 5.175 5.506 0.006 6 0 "[ . 1 . 2]" 1
546 1 74 TRP HA 1 74 TRP HE1 4.600 . 4.600 4.535 4.450 4.603 0.003 6 0 "[ . 1 . 2]" 1
547 1 74 TRP HB2 1 75 LEU H 4.300 . 4.300 3.396 3.239 3.569 . 0 0 "[ . 1 . 2]" 1
548 1 73 ALA HA 1 76 ALA H 4.400 . 4.400 3.733 3.549 3.939 . 0 0 "[ . 1 . 2]" 1
549 1 76 ALA H 1 78 HIS H 4.400 . 4.400 4.015 3.809 4.172 . 0 0 "[ . 1 . 2]" 1
550 1 75 LEU HA 1 78 HIS H 4.100 . 4.100 3.557 3.472 3.694 . 0 0 "[ . 1 . 2]" 1
551 1 77 GLU H 1 79 LEU H 4.400 . 4.400 4.250 4.085 4.391 . 0 0 "[ . 1 . 2]" 1
552 1 76 ALA HA 1 79 LEU H 4.200 . 4.200 3.562 3.456 3.675 . 0 0 "[ . 1 . 2]" 1
553 1 80 ALA H 1 81 ALA H 3.400 . 3.400 2.719 2.602 2.799 . 0 0 "[ . 1 . 2]" 1
554 1 42 ARG H 1 44 THR MG 5.500 . 6.500 5.556 4.865 6.407 . 0 0 "[ . 1 . 2]" 1
555 1 79 LEU MD2 1 82 GLN H 5.500 . 6.500 5.142 4.775 5.583 . 0 0 "[ . 1 . 2]" 1
556 1 81 ALA H 1 83 LEU H 4.900 . 4.900 4.345 3.806 4.608 . 0 0 "[ . 1 . 2]" 1
557 1 82 GLN HB2 1 83 LEU H 4.200 . 4.200 3.038 2.283 3.836 . 0 0 "[ . 1 . 2]" 1
558 1 83 LEU H 1 84 GLU H 3.700 . 3.700 2.718 2.621 2.866 . 0 0 "[ . 1 . 2]" 1
559 1 85 ALA H 1 86 ILE MD 5.400 . 6.400 4.668 4.465 5.081 . 0 0 "[ . 1 . 2]" 1
560 1 82 GLN HA 1 85 ALA H 4.500 . 4.500 3.558 3.315 3.699 . 0 0 "[ . 1 . 2]" 1
561 1 83 LEU HA 1 86 ILE H 4.200 . 4.200 3.594 3.400 3.778 . 0 0 "[ . 1 . 2]" 1
562 1 86 ILE H 1 86 ILE MD 3.600 . 4.600 3.098 2.845 3.294 . 0 0 "[ . 1 . 2]" 1
563 1 86 ILE H 1 86 ILE HB 3.500 . 3.500 2.618 2.587 2.673 . 0 0 "[ . 1 . 2]" 1
564 1 84 GLU QB 1 87 ALA H 5.400 . 6.400 5.019 4.789 5.174 . 0 0 "[ . 1 . 2]" 1
565 1 86 ILE H 1 88 ARG H 4.300 . 4.300 4.049 3.909 4.284 . 0 0 "[ . 1 . 2]" 1
566 1 86 ILE HA 1 89 GLU H 4.500 . 4.500 3.649 3.498 3.876 . 0 0 "[ . 1 . 2]" 1
567 1 90 ALA H 1 91 SER H 3.800 . 3.800 2.731 2.622 2.899 . 0 0 "[ . 1 . 2]" 1
568 1 91 SER QB 1 92 ALA H 4.200 . 5.200 2.921 2.647 3.540 . 0 0 "[ . 1 . 2]" 1
569 1 93 TRP H 1 93 TRP HZ3 5.500 . 5.500 5.409 5.228 5.503 0.003 20 0 "[ . 1 . 2]" 1
570 1 93 TRP HB3 1 94 SER H 4.400 . 4.400 4.096 3.989 4.278 . 0 0 "[ . 1 . 2]" 1
571 1 93 TRP HB2 1 94 SER H 4.400 . 4.400 2.960 2.788 3.227 . 0 0 "[ . 1 . 2]" 1
572 1 89 GLU QB 1 93 TRP HE1 4.600 . 5.600 2.354 1.986 3.554 . 0 0 "[ . 1 . 2]" 1
573 1 92 ALA MB 1 93 TRP HE1 5.000 . 6.000 4.599 4.397 4.857 . 0 0 "[ . 1 . 2]" 1
574 1 46 LEU MD1 1 93 TRP HE1 4.500 . 5.500 4.995 3.561 5.506 0.006 3 0 "[ . 1 . 2]" 1
575 1 46 LEU MD2 1 93 TRP HE1 4.500 . 5.500 4.287 2.489 5.505 0.005 11 0 "[ . 1 . 2]" 1
576 1 25 SER H 1 47 GLN HB2 4.600 . 4.600 4.272 3.197 4.607 0.007 9 0 "[ . 1 . 2]" 1
577 1 19 GLN H 1 50 LEU MD2 4.800 . 5.800 5.059 4.518 5.666 . 0 0 "[ . 1 . 2]" 1
578 1 18 ARG HA 1 22 ALA H 4.600 . 4.600 4.339 4.110 4.562 . 0 0 "[ . 1 . 2]" 1
579 1 22 ALA MB 1 24 VAL H 4.800 . 5.800 4.392 4.235 4.526 . 0 0 "[ . 1 . 2]" 1
580 1 25 SER H 1 47 GLN HB3 4.600 . 4.600 3.794 3.196 4.610 0.010 16 0 "[ . 1 . 2]" 1
581 1 29 THR H 1 30 LEU HG 5.500 . 5.500 4.845 4.595 5.284 . 0 0 "[ . 1 . 2]" 1
582 1 29 THR H 1 45 THR MG 4.500 . 5.500 4.462 3.905 4.865 . 0 0 "[ . 1 . 2]" 1
583 1 45 THR HA 1 47 GLN H 5.000 . 5.000 4.721 4.483 4.959 . 0 0 "[ . 1 . 2]" 1
584 1 45 THR HA 1 48 ALA H 4.900 . 4.900 4.595 4.506 4.891 . 0 0 "[ . 1 . 2]" 1
585 1 53 ALA H 1 79 LEU MD2 5.500 . 6.500 5.047 4.386 6.273 . 0 0 "[ . 1 . 2]" 1
586 1 85 ALA H 1 86 ILE HB 5.200 . 5.200 5.018 4.937 5.100 . 0 0 "[ . 1 . 2]" 1
587 1 85 ALA H 1 88 ARG QB 5.500 . 6.500 4.688 4.368 4.956 . 0 0 "[ . 1 . 2]" 1
588 1 24 VAL H 1 25 SER HA 5.200 . 5.200 4.420 4.343 4.572 . 0 0 "[ . 1 . 2]" 1
589 1 23 PRO HB2 1 25 SER H 5.500 . 5.500 5.166 4.765 5.444 . 0 0 "[ . 1 . 2]" 1
590 1 45 THR H 1 48 ALA H 4.900 . 4.900 3.473 3.111 3.870 . 0 0 "[ . 1 . 2]" 1
591 1 39 PHE HZ 1 85 ALA H 5.300 . 5.300 4.893 4.098 5.301 0.001 5 0 "[ . 1 . 2]" 1
592 1 79 LEU H 1 79 LEU MD1 4.000 . 5.000 3.463 3.156 3.766 . 0 0 "[ . 1 . 2]" 1
593 1 29 THR HA 1 46 LEU H 4.200 . 4.200 3.652 3.361 3.878 . 0 0 "[ . 1 . 2]" 1
594 1 60 LEU MD1 1 72 VAL HA 4.100 . 5.100 2.163 1.878 2.675 . 0 0 "[ . 1 . 2]" 1
595 1 83 LEU HA 1 86 ILE MG 4.100 . 5.100 4.455 4.183 4.779 . 0 0 "[ . 1 . 2]" 1
596 1 50 LEU HA 1 86 ILE MD 4.500 . 5.500 3.618 2.699 4.693 . 0 0 "[ . 1 . 2]" 1
597 1 40 GLN HA 1 40 GLN QG 3.900 . 4.900 2.239 2.007 2.770 . 0 0 "[ . 1 . 2]" 1
598 1 78 HIS HB3 1 79 LEU HA 4.100 . 4.100 3.953 3.834 4.080 . 0 0 "[ . 1 . 2]" 1
599 1 38 LEU HA 1 39 PHE HA 4.600 . 4.600 4.544 4.528 4.552 . 0 0 "[ . 1 . 2]" 1
600 1 33 ARG HA 1 33 ARG QG 3.700 . 4.700 2.365 2.017 3.398 . 0 0 "[ . 1 . 2]" 1
601 1 53 ALA HA 1 79 LEU MD2 4.000 . 5.000 2.755 1.988 4.052 . 0 0 "[ . 1 . 2]" 1
602 1 63 ALA HA 1 64 VAL MG2 4.800 . 5.800 4.734 4.591 4.904 . 0 0 "[ . 1 . 2]" 1
603 1 60 LEU MD2 1 76 ALA HA 3.400 . 4.400 3.908 3.110 4.404 0.004 7 0 "[ . 1 . 2]" 1
604 1 66 GLN HA 1 67 GLN QG 3.800 . 4.800 3.809 3.447 4.801 0.001 18 0 "[ . 1 . 2]" 1
605 1 92 ALA HA 1 94 SER H 4.200 . 4.200 4.078 3.807 4.203 0.003 8 0 "[ . 1 . 2]" 1
606 1 4 ALA MB 1 5 LEU QB 4.400 . 5.400 4.164 3.681 4.613 . 0 0 "[ . 1 . 2]" 1
607 1 85 ALA HA 1 88 ARG QB 3.900 . 4.900 2.761 2.348 3.391 . 0 0 "[ . 1 . 2]" 1
608 1 84 GLU QB 1 85 ALA MB 3.900 . 4.900 3.856 3.663 4.535 . 0 0 "[ . 1 . 2]" 1
609 1 69 LEU HA 1 69 LEU HG 3.700 . 3.700 3.044 2.496 3.651 . 0 0 "[ . 1 . 2]" 1
610 1 78 HIS HB3 1 79 LEU HG 4.000 . 4.000 3.779 3.623 3.915 . 0 0 "[ . 1 . 2]" 1
611 1 42 ARG HA 1 42 ARG QG 3.600 . 4.600 2.313 2.010 3.343 . 0 0 "[ . 1 . 2]" 1
612 1 19 GLN QB 1 20 ARG QG 3.900 . 4.900 4.056 3.054 4.755 . 0 0 "[ . 1 . 2]" 1
613 1 79 LEU HA 1 79 LEU MD2 4.200 . 5.200 2.306 1.972 2.665 . 0 0 "[ . 1 . 2]" 1
614 1 6 LEU HA 1 6 LEU QD 3.400 . 4.400 2.636 1.945 3.439 . 0 0 "[ . 1 . 2]" 1
615 1 38 LEU MD2 1 81 ALA MB 3.800 . 4.800 2.300 1.847 3.947 . 0 0 "[ . 1 . 2]" 1
616 1 44 THR HA 1 44 THR MG 3.500 . 4.500 2.521 2.130 3.223 . 0 0 "[ . 1 . 2]" 1
617 1 41 THR MG 1 42 ARG QB 4.100 . 5.100 4.121 2.773 5.103 0.003 8 0 "[ . 1 . 2]" 1
618 1 3 THR MG 1 6 LEU QB 4.100 . 5.100 4.183 3.090 5.101 0.001 19 0 "[ . 1 . 2]" 1
619 1 3 THR MG 1 6 LEU QD 3.600 . 4.600 3.171 2.023 4.337 . 0 0 "[ . 1 . 2]" 1
620 1 58 ALA MB 1 59 ALA H 3.400 . 4.400 2.503 2.321 2.826 . 0 0 "[ . 1 . 2]" 1
621 1 80 ALA H 1 81 ALA MB 4.700 . 5.700 4.325 4.237 4.432 . 0 0 "[ . 1 . 2]" 1
622 1 52 GLU H 1 53 ALA MB 4.500 . 5.500 4.294 4.203 4.362 . 0 0 "[ . 1 . 2]" 1
623 1 80 ALA MB 1 81 ALA H 3.900 . 4.900 2.555 2.365 2.803 . 0 0 "[ . 1 . 2]" 1
624 1 56 ASN HA 1 59 ALA MB 4.000 . 5.000 2.936 2.424 3.374 . 0 0 "[ . 1 . 2]" 1
625 1 63 ALA MB 1 68 GLN QG 3.600 . 4.600 2.953 1.936 3.588 . 0 0 "[ . 1 . 2]" 1
626 1 81 ALA MB 1 84 GLU QB 4.400 . 5.400 4.108 3.830 5.118 . 0 0 "[ . 1 . 2]" 1
627 1 86 ILE HB 1 87 ALA MB 4.500 . 5.500 3.840 3.743 3.946 . 0 0 "[ . 1 . 2]" 1
628 1 85 ALA MB 1 88 ARG QB 4.900 . 5.900 4.097 3.835 4.610 . 0 0 "[ . 1 . 2]" 1
629 1 87 ALA MB 1 88 ARG QB 5.100 . 6.100 3.953 3.641 4.281 . 0 0 "[ . 1 . 2]" 1
630 1 10 LEU HG 1 80 ALA MB 4.700 . 5.700 4.640 3.226 5.624 . 0 0 "[ . 1 . 2]" 1
631 1 22 ALA MB 1 23 PRO HB3 4.100 . 5.100 3.881 3.785 3.988 . 0 0 "[ . 1 . 2]" 1
632 1 28 ALA MB 1 46 LEU QB 3.500 . 4.500 2.093 1.908 2.427 . 0 0 "[ . 1 . 2]" 1
633 1 53 ALA MB 1 79 LEU MD2 3.600 . 4.600 2.805 2.262 3.501 . 0 0 "[ . 1 . 2]" 1
634 1 63 ALA MB 1 64 VAL MG1 3.700 . 4.700 3.459 3.161 3.656 . 0 0 "[ . 1 . 2]" 1
635 1 59 ALA MB 1 75 LEU MD1 4.000 . 5.000 3.872 2.842 4.727 . 0 0 "[ . 1 . 2]" 1
636 1 59 ALA MB 1 75 LEU MD2 4.000 . 5.000 3.131 2.265 4.177 . 0 0 "[ . 1 . 2]" 1
637 1 86 ILE MG 1 87 ALA MB 3.200 . 4.200 4.171 4.035 4.206 0.006 18 0 "[ . 1 . 2]" 1
638 1 38 LEU MD1 1 81 ALA MB 3.800 . 4.800 3.418 2.306 4.095 . 0 0 "[ . 1 . 2]" 1
639 1 55 ASP HA 1 58 ALA MB 4.100 . 5.100 2.600 2.212 3.347 . 0 0 "[ . 1 . 2]" 1
640 1 76 ALA MB 1 77 GLU HA 3.900 . 4.900 3.755 3.687 3.792 . 0 0 "[ . 1 . 2]" 1
641 1 24 VAL HB 1 28 ALA MB 4.700 . 5.700 3.629 2.948 4.644 . 0 0 "[ . 1 . 2]" 1
642 1 60 LEU MD1 1 79 LEU MD1 4.500 . 5.500 2.885 1.853 4.709 . 0 0 "[ . 1 . 2]" 1
643 1 76 ALA HA 1 79 LEU MD1 3.700 . 4.700 2.850 2.042 3.358 . 0 0 "[ . 1 . 2]" 1
644 1 86 ILE MG 1 87 ALA HA 3.900 . 4.900 3.600 3.515 3.696 . 0 0 "[ . 1 . 2]" 1
645 1 82 GLN HA 1 85 ALA MB 4.300 . 5.300 2.736 2.295 3.177 . 0 0 "[ . 1 . 2]" 1
646 1 10 LEU H 1 10 LEU HG 4.300 . 4.300 3.574 1.989 4.273 . 0 0 "[ . 1 . 2]" 1
647 1 17 LEU H 1 19 GLN QB 5.200 . 6.200 4.923 4.386 5.776 . 0 0 "[ . 1 . 2]" 1
648 1 60 LEU HG 1 61 ARG HA 4.800 . 4.800 4.092 3.431 4.719 . 0 0 "[ . 1 . 2]" 1
649 1 36 ARG HA 1 36 ARG QD 4.500 . 5.500 3.675 2.259 4.266 . 0 0 "[ . 1 . 2]" 1
650 1 53 ALA H 1 54 GLY HA3 5.500 . 5.500 4.970 4.907 5.053 . 0 0 "[ . 1 . 2]" 1
651 1 56 ASN HB3 1 79 LEU MD2 4.900 . 5.900 2.779 1.957 4.871 . 0 0 "[ . 1 . 2]" 1
652 1 59 ALA MB 1 62 HIS QB 4.800 . 5.800 4.082 3.718 4.439 . 0 0 "[ . 1 . 2]" 1
653 1 50 LEU H 1 86 ILE MD 5.300 . 6.300 4.394 3.655 5.158 . 0 0 "[ . 1 . 2]" 1
654 1 39 PHE HZ 1 86 ILE MD 4.900 . 5.900 4.516 2.206 5.732 . 0 0 "[ . 1 . 2]" 1
655 1 39 PHE QE 1 86 ILE MD 4.900 . 5.900 3.475 2.266 4.543 . 0 0 "[ . 1 . 2]" 1
656 1 53 ALA MB 1 86 ILE MD 4.300 . 5.300 3.447 2.597 5.003 . 0 0 "[ . 1 . 2]" 1
657 1 83 LEU HA 1 86 ILE MD 4.600 . 5.600 2.552 1.957 4.944 . 0 0 "[ . 1 . 2]" 1
658 1 86 ILE HA 1 86 ILE MD 4.300 . 5.300 3.623 1.951 3.927 . 0 0 "[ . 1 . 2]" 1
659 1 30 LEU MD1 1 34 PHE QD 5.500 . 6.500 4.488 4.116 4.783 . 0 0 "[ . 1 . 2]" 1
660 1 30 LEU MD2 1 34 PHE QD 5.500 . 6.500 4.927 4.435 5.636 . 0 0 "[ . 1 . 2]" 1
661 1 84 GLU HA 1 86 ILE HB 5.500 . 5.500 5.448 5.304 5.505 0.005 15 0 "[ . 1 . 2]" 1
662 1 83 LEU HA 1 86 ILE HB 4.300 . 4.300 3.141 2.821 3.459 . 0 0 "[ . 1 . 2]" 1
663 1 56 ASN HB2 1 79 LEU MD2 4.900 . 5.900 2.591 1.960 4.192 . 0 0 "[ . 1 . 2]" 1
664 1 78 HIS HB2 1 78 HIS HD2 3.900 . 3.900 3.849 3.634 3.953 0.053 18 0 "[ . 1 . 2]" 1
665 1 34 PHE HA 1 34 PHE QD 4.100 . 5.100 3.712 3.692 3.729 . 0 0 "[ . 1 . 2]" 1
666 1 62 HIS HD2 1 63 ALA HA 4.000 . 4.000 3.691 3.257 3.933 . 0 0 "[ . 1 . 2]" 1
667 1 74 TRP HE3 1 75 LEU HG 4.500 . 4.500 3.994 3.316 4.324 . 0 0 "[ . 1 . 2]" 1
668 1 74 TRP HA 1 74 TRP HD1 3.900 . 3.900 2.370 2.063 2.675 . 0 0 "[ . 1 . 2]" 1
669 1 74 TRP HB2 1 74 TRP HD1 3.800 . 3.800 3.062 2.916 3.255 . 0 0 "[ . 1 . 2]" 1
670 1 73 ALA MB 1 74 TRP HD1 4.100 . 5.100 4.452 4.067 5.011 . 0 0 "[ . 1 . 2]" 1
671 1 93 TRP HB2 1 93 TRP HE3 4.200 . 4.200 4.205 4.201 4.208 0.008 12 0 "[ . 1 . 2]" 1
672 1 93 TRP HB3 1 93 TRP HE3 4.200 . 4.200 3.139 3.111 3.191 . 0 0 "[ . 1 . 2]" 1
673 1 93 TRP HA 1 93 TRP HE3 4.000 . 4.000 2.057 2.011 2.083 . 0 0 "[ . 1 . 2]" 1
674 1 93 TRP HA 1 93 TRP HD1 4.900 . 4.900 4.810 4.790 4.847 . 0 0 "[ . 1 . 2]" 1
675 1 93 TRP HD1 1 98 TRP HE3 3.900 . 3.900 3.719 2.750 3.904 0.004 4 0 "[ . 1 . 2]" 1
676 1 7 LEU H 1 7 LEU QB 3.200 . 4.200 2.156 2.032 2.495 . 0 0 "[ . 1 . 2]" 1
677 1 7 LEU QB 1 8 GLU HA 4.200 . 5.200 3.899 3.706 4.450 . 0 0 "[ . 1 . 2]" 1
678 1 8 GLU H 1 8 GLU QG 3.600 . 4.600 2.646 1.986 3.460 . 0 0 "[ . 1 . 2]" 1
679 1 10 LEU H 1 10 LEU QB 3.200 . 4.200 2.155 2.045 2.567 . 0 0 "[ . 1 . 2]" 1
680 1 10 LEU H 1 10 LEU QD 4.400 . 5.400 2.982 2.060 3.719 . 0 0 "[ . 1 . 2]" 1
681 1 10 LEU QB 1 11 GLU H 3.700 . 4.700 2.587 2.342 3.508 . 0 0 "[ . 1 . 2]" 1
682 1 10 LEU QB 1 80 ALA MB 4.600 . 5.600 5.147 3.904 5.601 0.001 3 0 "[ . 1 . 2]" 1
683 1 10 LEU QD 1 11 GLU H 3.800 . 4.800 3.826 2.212 4.185 . 0 0 "[ . 1 . 2]" 1
684 1 10 LEU QD 1 11 GLU QG 4.200 . 5.200 4.594 2.166 5.198 . 0 0 "[ . 1 . 2]" 1
685 1 10 LEU QD 1 12 GLY H 5.400 . 6.400 5.311 4.267 5.759 . 0 0 "[ . 1 . 2]" 1
686 1 10 LEU QD 1 80 ALA H 3.600 . 4.600 3.754 2.840 4.603 0.003 16 0 "[ . 1 . 2]" 1
687 1 13 GLN H 1 13 GLN QG 3.900 . 4.900 3.411 2.365 4.060 . 0 0 "[ . 1 . 2]" 1
688 1 13 GLN QB 1 83 LEU QD 3.800 . 4.800 2.140 1.797 2.929 0.003 15 0 "[ . 1 . 2]" 1
689 1 13 GLN QE 1 17 LEU QD 4.800 . 5.800 4.291 2.052 5.729 . 0 0 "[ . 1 . 2]" 1
690 1 13 GLN QE 1 83 LEU QD 4.200 . 5.200 3.829 2.321 5.001 . 0 0 "[ . 1 . 2]" 1
691 1 13 GLN QE 1 87 ALA MB 4.200 . 5.200 3.963 2.700 4.981 . 0 0 "[ . 1 . 2]" 1
692 1 14 LEU H 1 14 LEU QB 3.200 . 4.200 2.144 2.033 2.241 . 0 0 "[ . 1 . 2]" 1
693 1 14 LEU QB 1 15 ALA H 3.800 . 4.800 2.619 2.344 2.854 . 0 0 "[ . 1 . 2]" 1
694 1 14 LEU QB 1 16 THR H 5.300 . 6.300 4.882 4.601 5.072 . 0 0 "[ . 1 . 2]" 1
695 1 14 LEU QD 1 15 ALA H 4.600 . 5.600 3.689 3.130 4.142 . 0 0 "[ . 1 . 2]" 1
696 1 14 LEU QD 1 16 THR H 5.400 . 6.400 5.235 4.639 5.675 . 0 0 "[ . 1 . 2]" 1
697 1 14 LEU QD 1 53 ALA H 4.700 . 5.700 4.620 4.056 5.440 . 0 0 "[ . 1 . 2]" 1
698 1 14 LEU QD 1 54 GLY H 3.700 . 4.700 3.706 3.049 4.596 . 0 0 "[ . 1 . 2]" 1
699 1 14 LEU QD 1 54 GLY QA 4.300 . 5.300 3.078 2.181 3.856 . 0 0 "[ . 1 . 2]" 1
700 1 14 LEU QD 1 55 ASP H 5.400 . 6.400 5.374 4.579 6.226 . 0 0 "[ . 1 . 2]" 1
701 1 14 LEU QD 1 56 ASN H 5.400 . 6.400 5.539 4.703 6.397 . 0 0 "[ . 1 . 2]" 1
702 1 16 THR H 1 17 LEU QB 4.700 . 5.700 4.373 4.218 4.495 . 0 0 "[ . 1 . 2]" 1
703 1 16 THR H 1 83 LEU QD 5.400 . 6.400 5.554 4.984 6.252 . 0 0 "[ . 1 . 2]" 1
704 1 17 LEU H 1 17 LEU QB 3.300 . 4.300 2.153 2.062 2.248 . 0 0 "[ . 1 . 2]" 1
705 1 17 LEU HA 1 17 LEU QD 3.800 . 4.800 2.441 1.936 2.978 . 0 0 "[ . 1 . 2]" 1
706 1 17 LEU QB 1 18 ARG H 4.000 . 5.000 2.569 2.175 2.832 . 0 0 "[ . 1 . 2]" 1
707 1 17 LEU QD 1 90 ALA MB 3.800 . 4.800 3.212 2.359 4.198 . 0 0 "[ . 1 . 2]" 1
708 1 18 ARG HA 1 50 LEU QB 5.200 . 6.200 3.884 2.473 4.750 . 0 0 "[ . 1 . 2]" 1
709 1 18 ARG QD 1 50 LEU QD 5.100 . 6.100 3.258 1.957 4.066 . 0 0 "[ . 1 . 2]" 1
710 1 18 ARG HE 1 50 LEU QB 4.400 . 5.400 4.381 3.184 5.404 0.004 11 0 "[ . 1 . 2]" 1
711 1 18 ARG HE 1 50 LEU QD 3.900 . 4.900 3.987 2.697 4.777 . 0 0 "[ . 1 . 2]" 1
712 1 19 GLN H 1 50 LEU QD 4.100 . 5.100 4.534 4.171 5.007 . 0 0 "[ . 1 . 2]" 1
713 1 21 CYS H 1 21 CYS QB 3.400 . 4.400 2.325 2.174 2.588 . 0 0 "[ . 1 . 2]" 1
714 1 21 CYS H 1 50 LEU QD 4.000 . 5.000 3.661 3.024 4.349 . 0 0 "[ . 1 . 2]" 1
715 1 21 CYS HA 1 24 VAL QG 4.800 . 5.800 2.134 1.796 3.833 0.004 9 0 "[ . 1 . 2]" 1
716 1 21 CYS HA 1 50 LEU QD 4.300 . 5.300 4.069 3.601 4.705 . 0 0 "[ . 1 . 2]" 1
717 1 21 CYS QB 1 22 ALA H 4.300 . 5.300 3.614 3.608 3.628 . 0 0 "[ . 1 . 2]" 1
718 1 21 CYS QB 1 22 ALA HA 4.700 . 5.700 4.210 4.165 4.345 . 0 0 "[ . 1 . 2]" 1
719 1 22 ALA H 1 23 PRO QD 3.500 . 4.500 2.191 2.120 2.296 . 0 0 "[ . 1 . 2]" 1
720 1 22 ALA H 1 24 VAL QG 5.100 . 6.100 3.719 3.521 4.633 . 0 0 "[ . 1 . 2]" 1
721 1 23 PRO QD 1 24 VAL H 4.300 . 5.300 3.830 3.172 4.153 . 0 0 "[ . 1 . 2]" 1
722 1 23 PRO QD 1 24 VAL QG 5.300 . 6.300 3.092 2.561 4.415 . 0 0 "[ . 1 . 2]" 1
723 1 24 VAL H 1 24 VAL QG 3.300 . 4.300 2.216 1.901 2.643 . 0 0 "[ . 1 . 2]" 1
724 1 24 VAL H 1 50 LEU QD 5.400 . 6.400 4.630 4.089 5.335 . 0 0 "[ . 1 . 2]" 1
725 1 24 VAL QG 1 25 SER H 3.600 . 4.600 3.249 2.278 3.750 . 0 0 "[ . 1 . 2]" 1
726 1 24 VAL QG 1 27 PHE H 5.200 . 6.200 3.747 2.945 4.558 . 0 0 "[ . 1 . 2]" 1
727 1 24 VAL QG 1 28 ALA MB 4.100 . 5.100 2.663 1.951 3.675 . 0 0 "[ . 1 . 2]" 1
728 1 24 VAL QG 1 46 LEU HA 5.300 . 6.300 4.859 4.009 5.924 . 0 0 "[ . 1 . 2]" 1
729 1 24 VAL QG 1 46 LEU QB 4.200 . 5.200 2.598 2.017 3.473 . 0 0 "[ . 1 . 2]" 1
730 1 24 VAL QG 1 46 LEU QD 4.500 . 5.500 2.464 1.946 3.136 . 0 0 "[ . 1 . 2]" 1
731 1 24 VAL QG 1 50 LEU QD 3.900 . 4.900 3.213 2.024 4.203 . 0 0 "[ . 1 . 2]" 1
732 1 25 SER H 1 47 GLN QB 3.700 . 4.700 3.374 3.124 3.622 . 0 0 "[ . 1 . 2]" 1
733 1 26 GLN H 1 26 GLN QB 3.200 . 4.200 2.310 2.081 2.673 . 0 0 "[ . 1 . 2]" 1
734 1 27 PHE H 1 27 PHE QB 3.500 . 4.500 2.450 2.270 2.814 . 0 0 "[ . 1 . 2]" 1
735 1 27 PHE H 1 46 LEU QD 4.300 . 5.300 5.259 5.099 5.308 0.008 20 0 "[ . 1 . 2]" 1
736 1 28 ALA H 1 46 LEU QD 4.700 . 5.700 4.404 4.309 4.507 . 0 0 "[ . 1 . 2]" 1
737 1 28 ALA MB 1 46 LEU QD 3.200 . 4.200 3.026 2.758 3.245 . 0 0 "[ . 1 . 2]" 1
738 1 30 LEU H 1 30 LEU QB 3.600 . 4.600 2.254 2.147 2.388 . 0 0 "[ . 1 . 2]" 1
739 1 30 LEU QB 1 31 SER H 4.400 . 5.400 2.921 2.730 3.258 . 0 0 "[ . 1 . 2]" 1
740 1 30 LEU QD 1 31 SER H 4.100 . 5.100 2.588 2.237 3.023 . 0 0 "[ . 1 . 2]" 1
741 1 30 LEU QD 1 34 PHE QD 4.800 . 5.800 4.155 3.791 4.487 . 0 0 "[ . 1 . 2]" 1
742 1 30 LEU QD 1 34 PHE QE 5.400 . 6.400 5.382 5.021 5.588 . 0 0 "[ . 1 . 2]" 1
743 1 30 LEU QD 1 44 THR HA 4.500 . 5.500 2.730 2.225 3.574 . 0 0 "[ . 1 . 2]" 1
744 1 30 LEU QD 1 45 THR H 4.100 . 5.100 2.613 2.011 3.023 . 0 0 "[ . 1 . 2]" 1
745 1 30 LEU QD 1 46 LEU H 4.700 . 5.700 3.774 3.390 4.082 . 0 0 "[ . 1 . 2]" 1
746 1 30 LEU QD 1 46 LEU HA 4.400 . 5.400 3.165 2.566 3.722 . 0 0 "[ . 1 . 2]" 1
747 1 30 LEU QD 1 46 LEU QD 4.300 . 5.300 2.759 1.899 3.463 . 0 0 "[ . 1 . 2]" 1
748 1 30 LEU QD 1 89 GLU QB 4.800 . 5.800 4.211 3.077 4.798 . 0 0 "[ . 1 . 2]" 1
749 1 34 PHE HB2 1 35 ASP QB 5.300 . 6.300 5.006 4.768 5.208 . 0 0 "[ . 1 . 2]" 1
750 1 35 ASP H 1 35 ASP QB 3.400 . 4.400 2.431 2.317 2.523 . 0 0 "[ . 1 . 2]" 1
751 1 35 ASP H 1 38 LEU QB 5.000 . 6.000 3.951 3.290 5.465 . 0 0 "[ . 1 . 2]" 1
752 1 35 ASP H 1 38 LEU QD 5.100 . 6.100 3.724 2.769 4.369 . 0 0 "[ . 1 . 2]" 1
753 1 35 ASP QB 1 38 LEU H 4.700 . 5.700 2.341 1.992 2.810 . 0 0 "[ . 1 . 2]" 1
754 1 35 ASP QB 1 38 LEU QD 4.200 . 5.200 2.186 1.805 2.604 . 0 0 "[ . 1 . 2]" 1
755 1 35 ASP QB 1 85 ALA MB 5.300 . 6.300 5.215 4.496 5.758 . 0 0 "[ . 1 . 2]" 1
756 1 37 HIS QB 1 38 LEU H 4.200 . 5.200 2.788 2.488 2.948 . 0 0 "[ . 1 . 2]" 1
757 1 38 LEU H 1 38 LEU QB 3.500 . 4.500 2.576 2.397 2.977 . 0 0 "[ . 1 . 2]" 1
758 1 38 LEU QB 1 39 PHE H 4.400 . 5.400 2.996 2.745 3.703 . 0 0 "[ . 1 . 2]" 1
759 1 38 LEU QB 1 78 HIS HD2 4.300 . 5.300 4.661 3.992 5.302 0.002 7 0 "[ . 1 . 2]" 1
760 1 38 LEU QB 1 81 ALA H 5.000 . 6.000 5.601 4.696 6.003 0.003 5 0 "[ . 1 . 2]" 1
761 1 38 LEU QB 1 82 GLN H 4.600 . 5.600 4.777 3.999 5.335 . 0 0 "[ . 1 . 2]" 1
762 1 38 LEU QD 1 39 PHE H 4.500 . 5.500 3.894 2.655 4.233 . 0 0 "[ . 1 . 2]" 1
763 1 38 LEU QD 1 78 HIS HD2 4.300 . 5.300 4.735 4.178 5.302 0.002 10 0 "[ . 1 . 2]" 1
764 1 38 LEU QD 1 81 ALA H 4.900 . 5.900 4.867 4.435 5.887 . 0 0 "[ . 1 . 2]" 1
765 1 38 LEU QD 1 81 ALA MB 3.300 . 4.300 2.149 1.834 3.258 . 0 0 "[ . 1 . 2]" 1
766 1 38 LEU QD 1 82 GLN QG 4.900 . 5.900 4.986 3.409 5.803 . 0 0 "[ . 1 . 2]" 1
767 1 38 LEU QD 1 85 ALA H 4.400 . 5.400 4.721 3.877 5.358 . 0 0 "[ . 1 . 2]" 1
768 1 38 LEU QD 1 85 ALA MB 3.700 . 4.700 3.102 1.885 3.883 . 0 0 "[ . 1 . 2]" 1
769 1 39 PHE H 1 39 PHE QB 3.400 . 4.400 2.452 2.317 2.599 . 0 0 "[ . 1 . 2]" 1
770 1 39 PHE HA 1 82 GLN QE 4.800 . 5.800 4.946 4.453 5.538 . 0 0 "[ . 1 . 2]" 1
771 1 39 PHE QB 1 40 GLN H 4.200 . 5.200 2.523 2.361 2.850 . 0 0 "[ . 1 . 2]" 1
772 1 39 PHE QD 1 82 GLN QE 5.100 . 6.100 4.564 3.751 5.986 . 0 0 "[ . 1 . 2]" 1
773 1 40 GLN HB2 1 56 ASN QD 4.200 . 5.200 3.801 3.320 4.368 . 0 0 "[ . 1 . 2]" 1
774 1 40 GLN QE 1 56 ASN QD 3.800 . 4.800 3.232 1.925 4.800 . 13 0 "[ . 1 . 2]" 1
775 1 46 LEU HA 1 46 LEU QD 3.900 . 4.900 2.214 1.962 2.879 . 0 0 "[ . 1 . 2]" 1
776 1 46 LEU QD 1 47 GLN H 4.400 . 5.400 3.926 3.736 4.135 . 0 0 "[ . 1 . 2]" 1
777 1 46 LEU QD 1 49 CYS H 5.400 . 6.400 4.988 4.647 5.271 . 0 0 "[ . 1 . 2]" 1
778 1 46 LEU QD 1 89 GLU QB 4.200 . 5.200 3.852 2.442 4.794 . 0 0 "[ . 1 . 2]" 1
779 1 46 LEU QD 1 90 ALA H 4.500 . 5.500 4.967 4.081 5.503 0.003 6 0 "[ . 1 . 2]" 1
780 1 46 LEU QD 1 93 TRP HE1 4.000 . 5.000 4.023 2.444 4.664 . 0 0 "[ . 1 . 2]" 1
781 1 47 GLN QB 1 47 GLN QE 3.700 . 4.700 3.035 1.988 3.722 . 0 0 "[ . 1 . 2]" 1
782 1 47 GLN QB 1 48 ALA H 3.700 . 4.700 3.274 2.520 3.541 . 0 0 "[ . 1 . 2]" 1
783 1 48 ALA H 1 49 CYS QB 5.300 . 6.300 4.500 4.188 5.026 . 0 0 "[ . 1 . 2]" 1
784 1 49 CYS H 1 49 CYS QB 3.500 . 4.500 2.257 2.067 2.545 . 0 0 "[ . 1 . 2]" 1
785 1 49 CYS QB 1 50 LEU H 4.000 . 5.000 2.785 2.394 3.463 . 0 0 "[ . 1 . 2]" 1
786 1 49 CYS QB 1 86 ILE MD 5.000 . 6.000 2.964 1.882 4.519 . 0 0 "[ . 1 . 2]" 1
787 1 50 LEU H 1 50 LEU QB 3.400 . 4.400 2.259 2.040 2.576 . 0 0 "[ . 1 . 2]" 1
788 1 50 LEU H 1 50 LEU QD 4.000 . 5.000 3.291 2.879 3.661 . 0 0 "[ . 1 . 2]" 1
789 1 50 LEU HA 1 50 LEU QD 3.900 . 4.900 2.149 1.922 3.376 . 0 0 "[ . 1 . 2]" 1
790 1 50 LEU QB 1 53 ALA H 5.300 . 6.300 4.934 4.828 5.141 . 0 0 "[ . 1 . 2]" 1
791 1 50 LEU QD 1 51 ASP H 4.100 . 5.100 3.879 2.217 4.171 . 0 0 "[ . 1 . 2]" 1
792 1 52 GLU H 1 52 GLU QB 3.400 . 4.400 2.176 2.044 2.471 . 0 0 "[ . 1 . 2]" 1
793 1 52 GLU HA 1 55 ASP QB 4.400 . 5.400 2.882 2.424 3.099 . 0 0 "[ . 1 . 2]" 1
794 1 52 GLU QB 1 55 ASP H 5.300 . 6.300 4.930 4.723 5.105 . 0 0 "[ . 1 . 2]" 1
795 1 53 ALA HA 1 56 ASN QB 4.300 . 5.300 2.606 2.310 4.679 . 0 0 "[ . 1 . 2]" 1
796 1 53 ALA HA 1 56 ASN QD 4.700 . 5.700 2.688 1.974 3.338 . 0 0 "[ . 1 . 2]" 1
797 1 54 GLY H 1 55 ASP QB 4.600 . 5.600 4.454 4.301 4.637 . 0 0 "[ . 1 . 2]" 1
798 1 54 GLY H 1 57 LEU QB 5.200 . 6.200 5.501 4.308 6.035 . 0 0 "[ . 1 . 2]" 1
799 1 54 GLY QA 1 57 LEU H 4.600 . 5.600 3.593 3.322 3.753 . 0 0 "[ . 1 . 2]" 1
800 1 55 ASP H 1 57 LEU QB 5.300 . 6.300 5.623 4.378 6.178 . 0 0 "[ . 1 . 2]" 1
801 1 55 ASP QB 1 56 ASN H 4.100 . 5.100 2.748 2.171 2.879 . 0 0 "[ . 1 . 2]" 1
802 1 56 ASN H 1 56 ASN QD 4.800 . 5.800 3.417 2.727 3.903 . 0 0 "[ . 1 . 2]" 1
803 1 56 ASN QB 1 57 LEU H 4.100 . 5.100 2.593 2.352 3.468 . 0 0 "[ . 1 . 2]" 1
804 1 56 ASN QB 1 57 LEU QD 5.200 . 6.200 4.179 3.832 5.147 . 0 0 "[ . 1 . 2]" 1
805 1 56 ASN QB 1 79 LEU MD2 4.100 . 5.100 2.324 1.853 3.960 . 0 0 "[ . 1 . 2]" 1
806 1 56 ASN QD 1 78 HIS HD2 4.200 . 5.200 4.863 4.305 5.203 0.003 10 0 "[ . 1 . 2]" 1
807 1 56 ASN QD 1 79 LEU MD2 4.600 . 5.600 3.511 2.880 4.889 . 0 0 "[ . 1 . 2]" 1
808 1 56 ASN QD 1 82 GLN QE 3.600 . 4.600 2.500 1.980 3.336 . 0 0 "[ . 1 . 2]" 1
809 1 57 LEU H 1 57 LEU QB 3.300 . 4.300 2.388 2.031 2.587 . 0 0 "[ . 1 . 2]" 1
810 1 57 LEU H 1 57 LEU QD 3.600 . 4.600 3.053 2.799 3.738 . 0 0 "[ . 1 . 2]" 1
811 1 57 LEU HA 1 57 LEU QD 3.500 . 4.500 3.072 2.192 3.433 . 0 0 "[ . 1 . 2]" 1
812 1 57 LEU QB 1 58 ALA H 3.800 . 4.800 3.113 2.465 3.457 . 0 0 "[ . 1 . 2]" 1
813 1 57 LEU QD 1 58 ALA H 3.900 . 4.900 2.849 2.112 4.035 . 0 0 "[ . 1 . 2]" 1
814 1 60 LEU H 1 75 LEU QD 5.300 . 6.300 3.461 2.871 4.100 . 0 0 "[ . 1 . 2]" 1
815 1 60 LEU HA 1 75 LEU QD 3.000 . 4.000 2.620 2.199 3.055 . 0 0 "[ . 1 . 2]" 1
816 1 60 LEU QB 1 61 ARG H 3.800 . 4.800 2.503 2.143 2.786 . 0 0 "[ . 1 . 2]" 1
817 1 60 LEU QB 1 79 LEU MD1 4.600 . 5.600 2.818 2.324 3.652 . 0 0 "[ . 1 . 2]" 1
818 1 64 VAL MG2 1 67 GLN QE 4.700 . 5.700 5.304 4.768 5.701 0.001 16 0 "[ . 1 . 2]" 1
819 1 66 GLN H 1 66 GLN QB 3.000 . 4.000 2.247 2.149 2.421 . 0 0 "[ . 1 . 2]" 1
820 1 66 GLN H 1 67 GLN QE 4.800 . 5.800 4.966 4.127 5.800 . 0 0 "[ . 1 . 2]" 1
821 1 66 GLN H 1 69 LEU QD 5.400 . 6.400 5.855 5.101 6.407 0.007 15 0 "[ . 1 . 2]" 1
822 1 66 GLN QB 1 67 GLN H 4.300 . 5.300 3.647 3.318 3.706 . 0 0 "[ . 1 . 2]" 1
823 1 66 GLN QB 1 68 GLN H 4.200 . 5.200 3.829 3.036 4.312 . 0 0 "[ . 1 . 2]" 1
824 1 66 GLN QB 1 68 GLN QG 3.500 . 4.500 2.957 1.953 4.180 . 0 0 "[ . 1 . 2]" 1
825 1 66 GLN QB 1 68 GLN QE 4.700 . 5.700 3.266 1.870 4.872 . 0 0 "[ . 1 . 2]" 1
826 1 67 GLN H 1 69 LEU QD 4.100 . 5.100 4.494 3.918 5.105 0.005 3 0 "[ . 1 . 2]" 1
827 1 68 GLN H 1 69 LEU QD 3.500 . 4.500 3.786 2.872 4.502 0.002 3 0 "[ . 1 . 2]" 1
828 1 69 LEU H 1 69 LEU QB 3.300 . 4.300 2.402 2.158 2.711 . 0 0 "[ . 1 . 2]" 1
829 1 69 LEU H 1 69 LEU QD 3.500 . 4.500 2.565 1.945 3.215 . 0 0 "[ . 1 . 2]" 1
830 1 69 LEU HA 1 69 LEU QD 3.800 . 4.800 2.278 1.894 3.039 . 0 0 "[ . 1 . 2]" 1
831 1 70 PRO QB 1 71 GLN HE21 4.900 . 5.900 3.322 2.257 5.184 . 0 0 "[ . 1 . 2]" 1
832 1 71 GLN QB 1 74 TRP H 5.300 . 6.300 4.879 4.579 5.171 . 0 0 "[ . 1 . 2]" 1
833 1 71 GLN QB 1 75 LEU QD 3.800 . 4.800 2.390 1.925 2.821 . 0 0 "[ . 1 . 2]" 1
834 1 71 GLN QG 1 75 LEU QD 4.400 . 5.400 3.095 2.164 4.121 . 0 0 "[ . 1 . 2]" 1
835 1 71 GLN HE21 1 75 LEU QD 5.400 . 6.400 5.212 4.780 5.735 . 0 0 "[ . 1 . 2]" 1
836 1 72 VAL H 1 72 VAL QG 3.200 . 4.200 1.963 1.904 2.097 . 0 0 "[ . 1 . 2]" 1
837 1 72 VAL QG 1 73 ALA H 3.400 . 4.400 3.387 3.344 3.438 . 0 0 "[ . 1 . 2]" 1
838 1 72 VAL QG 1 74 TRP H 5.400 . 6.400 4.801 4.626 4.889 . 0 0 "[ . 1 . 2]" 1
839 1 74 TRP H 1 75 LEU QD 5.400 . 6.400 4.395 3.692 5.068 . 0 0 "[ . 1 . 2]" 1
840 1 74 TRP HE3 1 75 LEU QD 4.200 . 5.200 4.070 3.262 4.522 . 0 0 "[ . 1 . 2]" 1
841 1 75 LEU H 1 75 LEU QB 3.200 . 4.200 2.296 2.126 2.532 . 0 0 "[ . 1 . 2]" 1
842 1 75 LEU H 1 75 LEU QD 3.500 . 4.500 2.821 2.218 3.369 . 0 0 "[ . 1 . 2]" 1
843 1 79 LEU QB 1 80 ALA H 3.500 . 4.500 2.568 2.457 2.700 . 0 0 "[ . 1 . 2]" 1
844 1 79 LEU QB 1 80 ALA MB 4.800 . 5.800 3.795 3.683 3.860 . 0 0 "[ . 1 . 2]" 1
845 1 79 LEU QB 1 81 ALA H 5.300 . 6.300 4.676 4.477 4.909 . 0 0 "[ . 1 . 2]" 1
846 1 81 ALA H 1 82 GLN QG 5.300 . 6.300 5.318 3.682 6.294 . 0 0 "[ . 1 . 2]" 1
847 1 81 ALA MB 1 82 GLN QG 4.000 . 5.000 4.173 3.285 4.888 . 0 0 "[ . 1 . 2]" 1
848 1 82 GLN H 1 82 GLN QB 3.100 . 4.100 2.178 2.040 2.533 . 0 0 "[ . 1 . 2]" 1
849 1 82 GLN H 1 82 GLN QG 3.800 . 4.800 3.181 1.984 3.890 . 0 0 "[ . 1 . 2]" 1
850 1 82 GLN HA 1 82 GLN QG 3.700 . 4.700 2.286 2.019 3.339 . 0 0 "[ . 1 . 2]" 1
851 1 82 GLN QB 1 86 ILE MD 5.000 . 6.000 3.118 2.270 4.835 . 0 0 "[ . 1 . 2]" 1
852 1 82 GLN QG 1 83 LEU H 4.600 . 5.600 3.993 1.993 4.442 . 0 0 "[ . 1 . 2]" 1
853 1 83 LEU H 1 83 LEU QB 3.300 . 4.300 2.083 2.021 2.300 . 0 0 "[ . 1 . 2]" 1
854 1 83 LEU H 1 83 LEU QD 3.400 . 4.400 3.509 2.821 3.755 . 0 0 "[ . 1 . 2]" 1
855 1 83 LEU HA 1 83 LEU QD 4.000 . 5.000 2.483 1.859 2.878 . 0 0 "[ . 1 . 2]" 1
856 1 83 LEU QB 1 84 GLU H 3.900 . 4.900 2.608 2.337 2.857 . 0 0 "[ . 1 . 2]" 1
857 1 86 ILE H 1 86 ILE QG 3.600 . 4.600 1.979 1.950 2.034 . 0 0 "[ . 1 . 2]" 1
858 1 86 ILE QG 1 87 ALA H 4.800 . 5.800 3.927 3.745 4.008 . 0 0 "[ . 1 . 2]" 1
859 1 93 TRP H 1 93 TRP QB 3.300 . 4.300 2.673 2.658 2.702 . 0 0 "[ . 1 . 2]" 1
860 1 93 TRP QB 1 94 SER H 3.800 . 4.800 2.895 2.737 3.138 . 0 0 "[ . 1 . 2]" 1
861 1 95 LEU H 1 95 LEU QD 3.800 . 4.800 3.513 2.686 4.111 . 0 0 "[ . 1 . 2]" 1
862 1 95 LEU HA 1 95 LEU QD 3.800 . 4.800 2.548 1.970 3.444 . 0 0 "[ . 1 . 2]" 1
863 1 95 LEU QD 1 96 ARG H 4.900 . 5.900 4.363 3.505 4.630 . 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 92
_Distance_constraint_stats_list.Viol_count 280
_Distance_constraint_stats_list.Viol_total 17.311
_Distance_constraint_stats_list.Viol_max 0.026
_Distance_constraint_stats_list.Viol_rms 0.0017
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0031
_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 6 LEU 0.021 0.007 19 0 "[ . 1 . 2]"
1 7 LEU 0.007 0.004 5 0 "[ . 1 . 2]"
1 9 LYS 0.002 0.002 16 0 "[ . 1 . 2]"
1 10 LEU 0.025 0.007 19 0 "[ . 1 . 2]"
1 11 GLU 0.007 0.004 5 0 "[ . 1 . 2]"
1 12 GLY 0.022 0.006 4 0 "[ . 1 . 2]"
1 13 GLN 0.008 0.002 3 0 "[ . 1 . 2]"
1 14 LEU 0.029 0.006 12 0 "[ . 1 . 2]"
1 15 ALA 0.012 0.003 15 0 "[ . 1 . 2]"
1 16 THR 0.028 0.006 4 0 "[ . 1 . 2]"
1 17 LEU 0.053 0.008 18 0 "[ . 1 . 2]"
1 18 ARG 0.025 0.006 12 0 "[ . 1 . 2]"
1 19 GLN 0.012 0.003 15 0 "[ . 1 . 2]"
1 20 ARG 0.006 0.004 18 0 "[ . 1 . 2]"
1 21 CYS 0.047 0.008 18 0 "[ . 1 . 2]"
1 35 ASP 0.219 0.026 4 0 "[ . 1 . 2]"
1 39 PHE 0.219 0.026 4 0 "[ . 1 . 2]"
1 45 THR 0.011 0.011 11 0 "[ . 1 . 2]"
1 46 LEU 0.015 0.004 3 0 "[ . 1 . 2]"
1 47 GLN 0.009 0.006 15 0 "[ . 1 . 2]"
1 48 ALA 0.003 0.002 20 0 "[ . 1 . 2]"
1 49 CYS 0.013 0.011 11 0 "[ . 1 . 2]"
1 50 LEU 0.048 0.010 6 0 "[ . 1 . 2]"
1 51 ASP 0.038 0.006 15 0 "[ . 1 . 2]"
1 52 GLU 0.010 0.005 13 0 "[ . 1 . 2]"
1 53 ALA 0.017 0.012 13 0 "[ . 1 . 2]"
1 54 GLY 0.062 0.010 6 0 "[ . 1 . 2]"
1 55 ASP 0.034 0.004 13 0 "[ . 1 . 2]"
1 56 ASN 0.012 0.005 13 0 "[ . 1 . 2]"
1 57 LEU 0.025 0.012 13 0 "[ . 1 . 2]"
1 58 ALA 0.062 0.008 1 0 "[ . 1 . 2]"
1 59 ALA 0.040 0.005 8 0 "[ . 1 . 2]"
1 60 LEU 0.006 0.003 20 0 "[ . 1 . 2]"
1 61 ARG 0.009 0.005 8 0 "[ . 1 . 2]"
1 62 HIS 0.034 0.008 1 0 "[ . 1 . 2]"
1 63 ALA 0.035 0.005 8 0 "[ . 1 . 2]"
1 71 GLN 0.024 0.007 11 0 "[ . 1 . 2]"
1 72 VAL 0.050 0.008 6 0 "[ . 1 . 2]"
1 73 ALA 0.057 0.007 3 0 "[ . 1 . 2]"
1 74 TRP 0.004 0.002 8 0 "[ . 1 . 2]"
1 75 LEU 0.027 0.007 11 0 "[ . 1 . 2]"
1 76 ALA 0.057 0.008 6 0 "[ . 1 . 2]"
1 77 GLU 0.077 0.007 3 0 "[ . 1 . 2]"
1 78 HIS 0.004 0.002 8 0 "[ . 1 . 2]"
1 79 LEU 0.005 0.002 13 0 "[ . 1 . 2]"
1 80 ALA 0.020 0.009 8 0 "[ . 1 . 2]"
1 81 ALA 0.022 0.005 10 0 "[ . 1 . 2]"
1 82 GLN 0.017 0.008 10 0 "[ . 1 . 2]"
1 83 LEU 0.011 0.004 20 0 "[ . 1 . 2]"
1 84 GLU 0.015 0.009 8 0 "[ . 1 . 2]"
1 85 ALA 0.010 0.002 9 0 "[ . 1 . 2]"
1 86 ILE 0.021 0.008 10 0 "[ . 1 . 2]"
1 87 ALA 0.019 0.005 7 0 "[ . 1 . 2]"
1 88 ARG 0.010 0.003 4 0 "[ . 1 . 2]"
1 89 GLU 0.021 0.011 20 0 "[ . 1 . 2]"
1 90 ALA 0.004 0.002 3 0 "[ . 1 . 2]"
1 91 SER 0.010 0.005 7 0 "[ . 1 . 2]"
1 92 ALA 0.007 0.003 4 0 "[ . 1 . 2]"
1 93 TRP 0.014 0.011 20 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 6 LEU O 1 10 LEU H 2.000 . 2.200 2.041 1.796 2.207 0.007 19 0 "[ . 1 . 2]" 2
2 1 6 LEU O 1 10 LEU N 3.000 2.700 3.200 2.966 2.698 3.170 0.002 17 0 "[ . 1 . 2]" 2
3 1 7 LEU O 1 11 GLU H 2.000 . 2.200 2.035 1.813 2.204 0.004 5 0 "[ . 1 . 2]" 2
4 1 7 LEU O 1 11 GLU N 3.000 2.700 3.200 2.966 2.743 3.168 . 0 0 "[ . 1 . 2]" 2
5 1 9 LYS O 1 13 GLN H 2.000 . 2.200 1.973 1.798 2.200 0.002 16 0 "[ . 1 . 2]" 2
6 1 9 LYS O 1 13 GLN N 3.000 2.700 3.200 2.922 2.744 3.114 . 0 0 "[ . 1 . 2]" 2
7 1 10 LEU O 1 14 LEU H 2.000 . 2.200 2.032 1.812 2.202 0.002 19 0 "[ . 1 . 2]" 2
8 1 10 LEU O 1 14 LEU N 3.000 2.700 3.200 2.955 2.763 3.114 . 0 0 "[ . 1 . 2]" 2
9 1 11 GLU O 1 15 ALA H 2.000 . 2.200 2.007 1.861 2.199 . 0 0 "[ . 1 . 2]" 2
10 1 11 GLU O 1 15 ALA N 3.000 2.700 3.200 2.894 2.700 3.100 . 4 0 "[ . 1 . 2]" 2
11 1 12 GLY O 1 16 THR H 2.000 . 2.200 2.175 2.011 2.206 0.006 4 0 "[ . 1 . 2]" 2
12 1 12 GLY O 1 16 THR N 3.000 2.700 3.200 3.131 2.946 3.180 . 0 0 "[ . 1 . 2]" 2
13 1 13 GLN O 1 17 LEU H 2.000 . 2.200 1.892 1.798 2.159 0.002 3 0 "[ . 1 . 2]" 2
14 1 13 GLN O 1 17 LEU N 3.000 2.700 3.200 2.812 2.699 3.051 0.001 17 0 "[ . 1 . 2]" 2
15 1 14 LEU O 1 18 ARG H 2.000 . 2.200 1.938 1.794 2.202 0.006 12 0 "[ . 1 . 2]" 2
16 1 14 LEU O 1 18 ARG N 3.000 2.700 3.200 2.813 2.697 3.078 0.003 6 0 "[ . 1 . 2]" 2
17 1 15 ALA O 1 19 GLN H 2.000 . 2.200 2.146 1.931 2.203 0.003 15 0 "[ . 1 . 2]" 2
18 1 15 ALA O 1 19 GLN N 3.000 2.700 3.200 2.977 2.808 3.170 . 0 0 "[ . 1 . 2]" 2
19 1 16 THR O 1 20 ARG H 2.000 . 2.200 2.064 1.799 2.204 0.004 18 0 "[ . 1 . 2]" 2
20 1 16 THR O 1 20 ARG N 3.000 2.700 3.200 2.979 2.748 3.171 . 0 0 "[ . 1 . 2]" 2
21 1 17 LEU O 1 21 CYS H 2.000 . 2.200 1.868 1.796 2.106 0.004 10 0 "[ . 1 . 2]" 2
22 1 17 LEU O 1 21 CYS N 3.000 2.700 3.200 2.736 2.692 2.944 0.008 18 0 "[ . 1 . 2]" 2
23 1 35 ASP O 1 39 PHE H 2.000 . 2.200 1.809 1.787 1.859 0.013 12 0 "[ . 1 . 2]" 2
24 1 35 ASP O 1 39 PHE N 3.000 2.700 3.200 2.692 2.674 2.711 0.026 4 0 "[ . 1 . 2]" 2
25 1 45 THR O 1 49 CYS H 2.000 . 2.200 2.028 1.808 2.211 0.011 11 0 "[ . 1 . 2]" 2
26 1 45 THR O 1 49 CYS N 3.000 2.700 3.200 2.925 2.786 3.096 . 0 0 "[ . 1 . 2]" 2
27 1 46 LEU O 1 50 LEU H 2.000 . 2.200 2.092 1.857 2.204 0.004 3 0 "[ . 1 . 2]" 2
28 1 46 LEU O 1 50 LEU N 3.000 2.700 3.200 3.025 2.777 3.177 . 0 0 "[ . 1 . 2]" 2
29 1 47 GLN O 1 51 ASP H 2.000 . 2.200 2.090 1.901 2.206 0.006 15 0 "[ . 1 . 2]" 2
30 1 47 GLN O 1 51 ASP N 3.000 2.700 3.200 3.024 2.847 3.171 . 0 0 "[ . 1 . 2]" 2
31 1 48 ALA O 1 52 GLU H 2.000 . 2.200 2.071 1.821 2.202 0.002 20 0 "[ . 1 . 2]" 2
32 1 48 ALA O 1 52 GLU N 3.000 2.700 3.200 2.971 2.708 3.149 . 0 0 "[ . 1 . 2]" 2
33 1 49 CYS O 1 53 ALA H 2.000 . 2.200 2.066 1.894 2.202 0.002 15 0 "[ . 1 . 2]" 2
34 1 49 CYS O 1 53 ALA N 3.000 2.700 3.200 2.974 2.763 3.118 . 0 0 "[ . 1 . 2]" 2
35 1 50 LEU O 1 54 GLY H 2.000 . 2.200 2.155 2.015 2.210 0.010 6 0 "[ . 1 . 2]" 2
36 1 50 LEU O 1 54 GLY N 3.000 2.700 3.200 3.088 2.955 3.149 . 0 0 "[ . 1 . 2]" 2
37 1 51 ASP O 1 55 ASP H 2.000 . 2.200 2.188 2.077 2.204 0.004 14 0 "[ . 1 . 2]" 2
38 1 51 ASP O 1 55 ASP N 3.000 2.700 3.200 3.095 2.997 3.154 . 0 0 "[ . 1 . 2]" 2
39 1 52 GLU O 1 56 ASN H 2.000 . 2.200 2.068 1.905 2.205 0.005 13 0 "[ . 1 . 2]" 2
40 1 52 GLU O 1 56 ASN N 3.000 2.700 3.200 2.941 2.767 3.177 . 0 0 "[ . 1 . 2]" 2
41 1 53 ALA O 1 57 LEU H 2.000 . 2.200 2.053 1.851 2.212 0.012 13 0 "[ . 1 . 2]" 2
42 1 53 ALA O 1 57 LEU N 3.000 2.700 3.200 2.997 2.823 3.174 . 0 0 "[ . 1 . 2]" 2
43 1 54 GLY O 1 58 ALA H 2.000 . 2.200 2.168 1.942 2.205 0.005 8 0 "[ . 1 . 2]" 2
44 1 54 GLY O 1 58 ALA N 3.000 2.700 3.200 3.069 2.854 3.166 . 0 0 "[ . 1 . 2]" 2
45 1 55 ASP O 1 59 ALA H 2.000 . 2.200 2.056 1.893 2.204 0.004 13 0 "[ . 1 . 2]" 2
46 1 55 ASP O 1 59 ALA N 3.000 2.700 3.200 2.980 2.789 3.178 . 0 0 "[ . 1 . 2]" 2
47 1 56 ASN O 1 60 LEU H 2.000 . 2.200 2.087 1.890 2.203 0.003 20 0 "[ . 1 . 2]" 2
48 1 56 ASN O 1 60 LEU N 3.000 2.700 3.200 2.921 2.700 3.039 0.000 13 0 "[ . 1 . 2]" 2
49 1 57 LEU O 1 61 ARG H 2.000 . 2.200 2.093 1.855 2.205 0.005 8 0 "[ . 1 . 2]" 2
50 1 57 LEU O 1 61 ARG N 3.000 2.700 3.200 3.015 2.763 3.164 . 0 0 "[ . 1 . 2]" 2
51 1 58 ALA O 1 62 HIS H 2.000 . 2.200 2.195 2.093 2.208 0.008 1 0 "[ . 1 . 2]" 2
52 1 58 ALA O 1 62 HIS N 3.000 2.700 3.200 3.113 3.008 3.168 . 0 0 "[ . 1 . 2]" 2
53 1 59 ALA O 1 63 ALA H 2.000 . 2.200 1.967 1.866 2.200 . 0 0 "[ . 1 . 2]" 2
54 1 59 ALA O 1 63 ALA N 3.000 2.700 3.200 2.721 2.695 2.951 0.005 8 0 "[ . 1 . 2]" 2
55 1 71 GLN O 1 75 LEU H 2.000 . 2.200 2.112 1.888 2.207 0.007 11 0 "[ . 1 . 2]" 2
56 1 71 GLN O 1 75 LEU N 3.000 2.700 3.200 3.085 2.864 3.184 . 0 0 "[ . 1 . 2]" 2
57 1 72 VAL O 1 76 ALA H 2.000 . 2.200 1.874 1.800 1.942 0.000 7 0 "[ . 1 . 2]" 2
58 1 72 VAL O 1 76 ALA N 3.000 2.700 3.200 2.713 2.692 2.869 0.008 6 0 "[ . 1 . 2]" 2
59 1 73 ALA O 1 77 GLU H 2.000 . 2.200 2.199 2.121 2.207 0.007 3 0 "[ . 1 . 2]" 2
60 1 73 ALA O 1 77 GLU N 3.000 2.700 3.200 3.157 3.095 3.177 . 0 0 "[ . 1 . 2]" 2
61 1 74 TRP O 1 78 HIS H 2.000 . 2.200 2.106 2.003 2.202 0.002 8 0 "[ . 1 . 2]" 2
62 1 74 TRP O 1 78 HIS N 3.000 2.700 3.200 3.026 2.929 3.152 . 0 0 "[ . 1 . 2]" 2
63 1 75 LEU O 1 79 LEU H 2.000 . 2.200 1.984 1.798 2.201 0.002 13 0 "[ . 1 . 2]" 2
64 1 75 LEU O 1 79 LEU N 3.000 2.700 3.200 2.896 2.753 3.090 . 0 0 "[ . 1 . 2]" 2
65 1 76 ALA O 1 80 ALA H 2.000 . 2.200 1.993 1.813 2.207 0.007 8 0 "[ . 1 . 2]" 2
66 1 76 ALA O 1 80 ALA N 3.000 2.700 3.200 2.949 2.739 3.146 . 0 0 "[ . 1 . 2]" 2
67 1 77 GLU O 1 81 ALA H 2.000 . 2.200 2.132 1.947 2.205 0.005 10 0 "[ . 1 . 2]" 2
68 1 77 GLU O 1 81 ALA N 3.000 2.700 3.200 3.044 2.888 3.175 . 0 0 "[ . 1 . 2]" 2
69 1 78 HIS O 1 82 GLN H 2.000 . 2.200 2.053 1.895 2.200 0.000 12 0 "[ . 1 . 2]" 2
70 1 78 HIS O 1 82 GLN N 3.000 2.700 3.200 2.948 2.788 3.114 . 0 0 "[ . 1 . 2]" 2
71 1 79 LEU O 1 83 LEU H 2.000 . 2.200 2.042 1.818 2.201 0.001 5 0 "[ . 1 . 2]" 2
72 1 79 LEU O 1 83 LEU N 3.000 2.700 3.200 3.000 2.789 3.173 . 0 0 "[ . 1 . 2]" 2
73 1 80 ALA O 1 84 GLU H 2.000 . 2.200 2.086 1.873 2.209 0.009 8 0 "[ . 1 . 2]" 2
74 1 80 ALA O 1 84 GLU N 3.000 2.700 3.200 3.008 2.807 3.174 . 0 0 "[ . 1 . 2]" 2
75 1 81 ALA O 1 85 ALA H 2.000 . 2.200 2.036 1.827 2.202 0.002 9 0 "[ . 1 . 2]" 2
76 1 81 ALA O 1 85 ALA N 3.000 2.700 3.200 2.921 2.716 3.154 . 0 0 "[ . 1 . 2]" 2
77 1 82 GLN O 1 86 ILE H 2.000 . 2.200 2.102 1.897 2.208 0.008 10 0 "[ . 1 . 2]" 2
78 1 82 GLN O 1 86 ILE N 3.000 2.700 3.200 3.043 2.845 3.155 . 0 0 "[ . 1 . 2]" 2
79 1 83 LEU O 1 87 ALA H 2.000 . 2.200 2.037 1.800 2.204 0.004 20 0 "[ . 1 . 2]" 2
80 1 83 LEU O 1 87 ALA N 3.000 2.700 3.200 2.984 2.759 3.170 . 0 0 "[ . 1 . 2]" 2
81 1 84 GLU O 1 88 ARG H 2.000 . 2.200 1.989 1.825 2.118 . 0 0 "[ . 1 . 2]" 2
82 1 84 GLU O 1 88 ARG N 3.000 2.700 3.200 2.868 2.698 3.024 0.002 6 0 "[ . 1 . 2]" 2
83 1 85 ALA O 1 89 GLU H 2.000 . 2.200 2.060 1.848 2.202 0.002 2 0 "[ . 1 . 2]" 2
84 1 85 ALA O 1 89 GLU N 3.000 2.700 3.200 3.007 2.800 3.178 . 0 0 "[ . 1 . 2]" 2
85 1 86 ILE O 1 90 ALA H 2.000 . 2.200 2.000 1.798 2.202 0.002 3 0 "[ . 1 . 2]" 2
86 1 86 ILE O 1 90 ALA N 3.000 2.700 3.200 2.946 2.732 3.138 . 0 0 "[ . 1 . 2]" 2
87 1 87 ALA O 1 91 SER H 2.000 . 2.200 2.115 1.951 2.205 0.005 7 0 "[ . 1 . 2]" 2
88 1 87 ALA O 1 91 SER N 3.000 2.700 3.200 2.995 2.832 3.145 . 0 0 "[ . 1 . 2]" 2
89 1 88 ARG O 1 92 ALA H 2.000 . 2.200 2.060 1.892 2.201 0.001 11 0 "[ . 1 . 2]" 2
90 1 88 ARG O 1 92 ALA N 3.000 2.700 3.200 2.878 2.697 3.042 0.003 4 0 "[ . 1 . 2]" 2
91 1 89 GLU O 1 93 TRP H 2.000 . 2.200 2.123 1.946 2.211 0.011 20 0 "[ . 1 . 2]" 2
92 1 89 GLU O 1 93 TRP N 3.000 2.700 3.200 3.084 2.909 3.176 . 0 0 "[ . 1 . 2]" 2
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