NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447399 |
2kpq   |
16564 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kpq
save_distance_constraint_statistics_1
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 1
_Distance_constraint_stats_list.Constraint_count 609
_Distance_constraint_stats_list.Viol_count 591
_Distance_constraint_stats_list.Viol_total 278.717
_Distance_constraint_stats_list.Viol_max 0.098
_Distance_constraint_stats_list.Viol_rms 0.0066
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0236
_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 9 ASN 0.380 0.091 10 0 "[ . 1 . 2]"
1 10 ASP 0.317 0.037 5 0 "[ . 1 . 2]"
1 11 VAL 1.195 0.091 10 0 "[ . 1 . 2]"
1 12 LYS 0.789 0.098 13 0 "[ . 1 . 2]"
1 13 TRP 1.070 0.076 13 0 "[ . 1 . 2]"
1 14 GLU 0.973 0.076 13 0 "[ . 1 . 2]"
1 15 LYS 0.055 0.031 18 0 "[ . 1 . 2]"
1 16 PRO 0.297 0.069 14 0 "[ . 1 . 2]"
1 17 VAL 0.152 0.036 9 0 "[ . 1 . 2]"
1 18 THR 0.682 0.064 13 0 "[ . 1 . 2]"
1 19 ILE 2.438 0.072 9 0 "[ . 1 . 2]"
1 20 SER 0.363 0.052 18 0 "[ . 1 . 2]"
1 21 LEU 0.469 0.040 12 0 "[ . 1 . 2]"
1 22 GLN 0.022 0.022 15 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.034 0.034 1 0 "[ . 1 . 2]"
1 25 ALA 0.039 0.034 1 0 "[ . 1 . 2]"
1 26 PRO 0.816 0.072 9 0 "[ . 1 . 2]"
1 27 ARG 0.128 0.035 9 0 "[ . 1 . 2]"
1 28 ILE 0.050 0.035 9 0 "[ . 1 . 2]"
1 29 PHE 0.753 0.062 16 0 "[ . 1 . 2]"
1 30 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.761 0.098 13 0 "[ . 1 . 2]"
1 32 VAL 0.361 0.043 2 0 "[ . 1 . 2]"
1 33 TYR 0.318 0.042 2 0 "[ . 1 . 2]"
1 34 GLU 0.148 0.042 2 0 "[ . 1 . 2]"
1 35 ALA 0.528 0.067 4 0 "[ . 1 . 2]"
1 36 PHE 0.134 0.021 12 0 "[ . 1 . 2]"
1 37 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PHE 0.695 0.045 13 0 "[ . 1 . 2]"
1 39 LEU 0.165 0.031 7 0 "[ . 1 . 2]"
1 40 GLN 0.806 0.091 8 0 "[ . 1 . 2]"
1 41 HIS 0.244 0.056 6 0 "[ . 1 . 2]"
1 42 GLU 0.167 0.056 6 0 "[ . 1 . 2]"
1 43 TRP 1.791 0.092 13 0 "[ . 1 . 2]"
1 44 PRO 0.268 0.040 12 0 "[ . 1 . 2]"
1 45 ALA 0.092 0.092 13 0 "[ . 1 . 2]"
1 46 ARG 0.123 0.030 14 0 "[ . 1 . 2]"
1 47 GLY 0.081 0.030 14 0 "[ . 1 . 2]"
1 48 ASP 0.376 0.094 16 0 "[ . 1 . 2]"
1 49 ARG 0.089 0.063 12 0 "[ . 1 . 2]"
1 50 ALA 0.162 0.094 16 0 "[ . 1 . 2]"
1 51 HIS 0.021 0.011 13 0 "[ . 1 . 2]"
1 52 GLU 0.228 0.062 4 0 "[ . 1 . 2]"
1 53 GLN 0.255 0.063 12 0 "[ . 1 . 2]"
1 54 ALA 0.108 0.027 7 0 "[ . 1 . 2]"
1 55 LEU 0.040 0.010 10 0 "[ . 1 . 2]"
1 56 ARG 0.090 0.038 12 0 "[ . 1 . 2]"
1 57 LEU 0.113 0.047 16 0 "[ . 1 . 2]"
1 58 CYS 0.123 0.029 8 0 "[ . 1 . 2]"
1 59 ARG 0.044 0.021 12 0 "[ . 1 . 2]"
1 60 ALA 0.077 0.035 20 0 "[ . 1 . 2]"
1 61 SER 0.378 0.043 2 0 "[ . 1 . 2]"
1 62 LEU 0.478 0.072 6 0 "[ . 1 . 2]"
1 63 MET 0.073 0.073 6 0 "[ . 1 . 2]"
1 64 GLY 0.156 0.079 6 0 "[ . 1 . 2]"
1 65 ASP 0.183 0.073 6 0 "[ . 1 . 2]"
1 66 VAL 0.766 0.079 6 0 "[ . 1 . 2]"
1 67 ALA 0.059 0.029 9 0 "[ . 1 . 2]"
1 68 GLY 0.042 0.018 18 0 "[ . 1 . 2]"
1 69 GLU 0.210 0.055 18 0 "[ . 1 . 2]"
1 70 ILE 0.135 0.026 15 0 "[ . 1 . 2]"
1 71 ALA 0.227 0.057 6 0 "[ . 1 . 2]"
1 72 ARG 0.351 0.055 18 0 "[ . 1 . 2]"
1 73 THR 0.113 0.058 18 0 "[ . 1 . 2]"
1 74 ALA 0.039 0.030 16 0 "[ . 1 . 2]"
1 75 PHE 0.523 0.047 16 0 "[ . 1 . 2]"
1 76 VAL 0.144 0.028 14 0 "[ . 1 . 2]"
1 77 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.036 0.016 18 0 "[ . 1 . 2]"
1 79 SER 0.106 0.037 10 0 "[ . 1 . 2]"
1 80 ARG 0.024 0.024 13 0 "[ . 1 . 2]"
1 81 GLN 0.050 0.026 11 0 "[ . 1 . 2]"
1 82 ALA 0.024 0.019 19 0 "[ . 1 . 2]"
1 83 HIS 0.059 0.059 4 0 "[ . 1 . 2]"
1 84 CYS 0.542 0.072 8 0 "[ . 1 . 2]"
1 85 LEU 1.010 0.072 8 0 "[ . 1 . 2]"
1 86 MET 1.033 0.072 9 0 "[ . 1 . 2]"
1 87 GLU 0.126 0.047 14 0 "[ . 1 . 2]"
1 88 ASP 0.108 0.047 14 0 "[ . 1 . 2]"
1 89 LYS 0.010 0.010 15 0 "[ . 1 . 2]"
1 91 GLU 0.195 0.077 12 0 "[ . 1 . 2]"
1 92 ALA 0.158 0.077 12 0 "[ . 1 . 2]"
1 93 PRO 0.037 0.019 7 0 "[ . 1 . 2]"
1 95 THR 0.274 0.059 5 0 "[ . 1 . 2]"
1 96 ILE 0.274 0.059 5 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 9 ASN H 1 10 ASP H 1.800 . 5.000 4.098 2.254 4.607 . 0 0 "[ . 1 . 2]" 1
2 1 10 ASP H 1 11 VAL H 1.800 . 5.000 3.937 2.763 4.438 . 0 0 "[ . 1 . 2]" 1
3 1 11 VAL H 1 12 LYS H 1.800 . 5.000 4.267 3.810 4.510 . 0 0 "[ . 1 . 2]" 1
4 1 14 GLU H 1 15 LYS H 1.800 . 5.000 2.523 2.144 2.924 . 0 0 "[ . 1 . 2]" 1
5 1 24 GLY H 1 25 ALA H 1.800 . 3.500 2.507 2.177 3.534 0.034 1 0 "[ . 1 . 2]" 1
6 1 30 ASN H 1 31 GLY H 1.800 . 3.500 2.176 1.921 2.410 . 0 0 "[ . 1 . 2]" 1
7 1 32 VAL H 1 33 TYR H 1.800 . 5.000 2.558 2.452 2.691 . 0 0 "[ . 1 . 2]" 1
8 1 33 TYR H 1 34 GLU H 1.800 . 5.000 2.633 2.473 2.772 . 0 0 "[ . 1 . 2]" 1
9 1 34 GLU H 1 35 ALA H 1.800 . 3.500 2.645 2.576 2.739 . 0 0 "[ . 1 . 2]" 1
10 1 35 ALA H 1 36 PHE H 1.800 . 3.500 2.643 2.502 2.775 . 0 0 "[ . 1 . 2]" 1
11 1 36 PHE H 1 37 ASP H 1.800 . 5.000 2.738 2.620 2.856 . 0 0 "[ . 1 . 2]" 1
12 1 37 ASP H 1 38 PHE H 1.800 . 5.000 2.682 2.577 2.801 . 0 0 "[ . 1 . 2]" 1
13 1 38 PHE H 1 39 LEU H 1.800 . 5.000 2.757 2.684 2.871 . 0 0 "[ . 1 . 2]" 1
14 1 39 LEU H 1 40 GLN H 1.800 . 5.000 2.712 2.608 2.812 . 0 0 "[ . 1 . 2]" 1
15 1 40 GLN H 1 41 HIS H 1.800 . 3.500 2.351 2.125 2.623 . 0 0 "[ . 1 . 2]" 1
16 1 41 HIS H 1 42 GLU H 1.800 . 3.500 2.737 2.327 3.081 . 0 0 "[ . 1 . 2]" 1
17 1 42 GLU H 1 43 TRP H 1.800 . 3.500 3.135 2.727 3.515 0.015 4 0 "[ . 1 . 2]" 1
18 1 47 GLY H 1 48 ASP H 1.800 . 5.000 2.762 1.810 3.920 . 0 0 "[ . 1 . 2]" 1
19 1 51 HIS H 1 52 GLU H 1.800 . 5.000 2.551 2.387 2.735 . 0 0 "[ . 1 . 2]" 1
20 1 52 GLU H 1 53 GLN H 1.800 . 3.500 2.707 2.452 2.933 . 0 0 "[ . 1 . 2]" 1
21 1 53 GLN H 1 54 ALA H 1.800 . 3.500 2.755 2.572 2.880 . 0 0 "[ . 1 . 2]" 1
22 1 54 ALA H 1 55 LEU H 1.800 . 5.000 2.771 2.648 2.895 . 0 0 "[ . 1 . 2]" 1
23 1 55 LEU H 1 56 ARG H 1.800 . 5.000 2.666 2.528 2.780 . 0 0 "[ . 1 . 2]" 1
24 1 56 ARG H 1 57 LEU H 1.800 . 3.500 2.719 2.598 2.859 . 0 0 "[ . 1 . 2]" 1
25 1 58 CYS H 1 59 ARG H 1.800 . 3.500 2.647 2.561 2.753 . 0 0 "[ . 1 . 2]" 1
26 1 60 ALA H 1 61 SER H 1.800 . 3.500 2.599 2.447 2.704 . 0 0 "[ . 1 . 2]" 1
27 1 61 SER H 1 62 LEU H 1.800 . 5.000 2.588 2.503 2.674 . 0 0 "[ . 1 . 2]" 1
28 1 62 LEU H 1 63 MET H 1.800 . 5.000 2.554 2.450 2.640 . 0 0 "[ . 1 . 2]" 1
29 1 63 MET H 1 64 GLY H 1.800 . 5.000 2.335 2.056 2.555 . 0 0 "[ . 1 . 2]" 1
30 1 64 GLY H 1 65 ASP H 1.800 . 3.500 2.431 2.129 2.959 . 0 0 "[ . 1 . 2]" 1
31 1 65 ASP H 1 66 VAL H 1.800 . 3.500 2.453 2.164 3.552 0.052 20 0 "[ . 1 . 2]" 1
32 1 69 GLU H 1 70 ILE H 1.800 . 5.000 2.745 2.537 3.025 . 0 0 "[ . 1 . 2]" 1
33 1 70 ILE H 1 71 ALA H 1.800 . 3.500 2.737 2.583 2.820 . 0 0 "[ . 1 . 2]" 1
34 1 71 ALA H 1 72 ARG H 1.800 . 5.000 2.603 2.480 2.823 . 0 0 "[ . 1 . 2]" 1
35 1 73 THR H 1 74 ALA H 1.800 . 5.000 2.694 2.578 2.835 . 0 0 "[ . 1 . 2]" 1
36 1 74 ALA H 1 75 PHE H 1.800 . 3.500 2.563 2.501 2.637 . 0 0 "[ . 1 . 2]" 1
37 1 75 PHE H 1 76 VAL H 1.800 . 3.500 2.639 2.479 2.796 . 0 0 "[ . 1 . 2]" 1
38 1 76 VAL H 1 77 ALA H 1.800 . 3.500 2.640 2.550 2.704 . 0 0 "[ . 1 . 2]" 1
39 1 78 ALA H 1 79 SER H 1.800 . 3.500 2.533 2.429 2.683 . 0 0 "[ . 1 . 2]" 1
40 1 79 SER H 1 80 ARG H 1.800 . 5.000 2.575 2.491 2.702 . 0 0 "[ . 1 . 2]" 1
41 1 80 ARG H 1 81 GLN H 1.800 . 5.000 2.640 2.551 2.741 . 0 0 "[ . 1 . 2]" 1
42 1 81 GLN H 1 82 ALA H 1.800 . 3.500 2.544 2.366 2.703 . 0 0 "[ . 1 . 2]" 1
43 1 83 HIS H 1 84 CYS H 1.800 . 3.500 2.623 2.290 2.814 . 0 0 "[ . 1 . 2]" 1
44 1 84 CYS H 1 85 LEU H 1.800 . 3.500 3.401 2.689 3.572 0.072 8 0 "[ . 1 . 2]" 1
45 1 41 HIS H 1 43 TRP H 1.800 . 5.000 4.619 3.639 5.025 0.025 6 0 "[ . 1 . 2]" 1
46 1 48 ASP H 1 50 ALA H 1.800 . 5.000 4.176 2.886 5.094 0.094 16 0 "[ . 1 . 2]" 1
47 1 61 SER H 1 63 MET H 1.800 . 5.000 3.880 3.730 4.075 . 0 0 "[ . 1 . 2]" 1
48 1 63 MET H 1 65 ASP H 1.800 . 5.000 3.632 3.230 4.543 . 0 0 "[ . 1 . 2]" 1
49 1 64 GLY H 1 66 VAL H 1.800 . 5.000 3.919 3.318 4.777 . 0 0 "[ . 1 . 2]" 1
50 1 9 ASN HA 1 10 ASP H 1.800 . 3.500 2.346 2.117 3.250 . 0 0 "[ . 1 . 2]" 1
51 1 10 ASP HA 1 11 VAL H 1.800 . 3.500 2.441 2.106 3.534 0.034 11 0 "[ . 1 . 2]" 1
52 1 11 VAL HA 1 12 LYS H 1.800 . 2.900 2.148 2.109 2.216 . 0 0 "[ . 1 . 2]" 1
53 1 12 LYS HA 1 13 TRP H 1.800 . 3.500 2.325 2.132 3.027 . 0 0 "[ . 1 . 2]" 1
54 1 13 TRP HA 1 14 GLU H 1.800 . 3.500 2.261 2.089 2.687 . 0 0 "[ . 1 . 2]" 1
55 1 16 PRO HA 1 17 VAL H 1.800 . 3.500 2.282 2.135 2.681 . 0 0 "[ . 1 . 2]" 1
56 1 17 VAL HA 1 18 THR H 1.800 . 3.500 2.168 2.119 2.300 . 0 0 "[ . 1 . 2]" 1
57 1 18 THR HA 1 19 ILE H 1.800 . 3.500 2.167 2.131 2.222 . 0 0 "[ . 1 . 2]" 1
58 1 19 ILE HA 1 20 SER H 1.800 . 3.500 2.163 2.095 2.300 . 0 0 "[ . 1 . 2]" 1
59 1 20 SER HA 1 21 LEU H 1.800 . 2.900 2.161 2.124 2.217 . 0 0 "[ . 1 . 2]" 1
60 1 26 PRO HA 1 27 ARG H 1.800 . 2.900 2.190 2.151 2.264 . 0 0 "[ . 1 . 2]" 1
61 1 27 ARG HA 1 28 ILE H 1.800 . 3.500 2.145 2.097 2.341 . 0 0 "[ . 1 . 2]" 1
62 1 29 PHE HA 1 30 ASN H 1.800 . 3.500 2.169 2.080 2.301 . 0 0 "[ . 1 . 2]" 1
63 1 42 GLU HA 1 43 TRP H 1.800 . 3.500 2.457 2.147 3.040 . 0 0 "[ . 1 . 2]" 1
64 1 46 ARG HA 1 47 GLY H 1.800 . 3.500 2.673 2.165 3.530 0.030 14 0 "[ . 1 . 2]" 1
65 1 66 VAL HA 1 67 ALA H 1.800 . 3.500 2.161 2.127 2.208 . 0 0 "[ . 1 . 2]" 1
66 1 85 LEU HA 1 86 MET H 1.800 . 3.500 2.238 2.059 2.570 . 0 0 "[ . 1 . 2]" 1
67 1 86 MET HA 1 87 GLU H 1.800 . 3.500 2.618 2.131 3.523 0.023 13 0 "[ . 1 . 2]" 1
68 1 87 GLU HA 1 88 ASP H 1.800 . 3.500 2.574 2.119 3.547 0.047 14 0 "[ . 1 . 2]" 1
69 1 88 ASP HA 1 89 LYS H 1.800 . 3.500 2.624 2.138 3.510 0.010 15 0 "[ . 1 . 2]" 1
70 1 91 GLU HA 1 92 ALA H 1.800 . 2.900 2.348 2.119 2.977 0.077 12 0 "[ . 1 . 2]" 1
71 1 11 VAL H 1 12 LYS HA 1.800 . 5.000 4.929 4.381 5.077 0.077 15 0 "[ . 1 . 2]" 1
72 1 19 ILE H 1 20 SER HA 1.800 . 5.000 4.982 4.804 5.051 0.051 17 0 "[ . 1 . 2]" 1
73 1 23 ASN H 1 24 GLY QA 1.800 . 5.000 4.392 3.869 4.537 . 0 0 "[ . 1 . 2]" 1
74 1 42 GLU H 1 43 TRP HA 1.800 . 5.000 4.549 4.289 4.807 . 0 0 "[ . 1 . 2]" 1
75 1 63 MET H 1 64 GLY QA 1.800 . 5.000 4.278 4.078 4.475 . 0 0 "[ . 1 . 2]" 1
76 1 13 TRP HA 1 15 LYS H 1.800 . 5.000 4.127 3.411 5.024 0.024 18 0 "[ . 1 . 2]" 1
77 1 29 PHE HA 1 31 GLY H 1.800 . 5.000 3.651 3.160 3.964 . 0 0 "[ . 1 . 2]" 1
78 1 54 ALA HA 1 56 ARG H 1.800 . 5.000 4.543 4.364 4.725 . 0 0 "[ . 1 . 2]" 1
79 1 62 LEU HA 1 64 GLY H 1.800 . 5.000 3.834 3.478 5.072 0.072 6 0 "[ . 1 . 2]" 1
80 1 64 GLY QA 1 66 VAL H 1.800 . 5.000 3.975 3.196 5.079 0.079 6 0 "[ . 1 . 2]" 1
81 1 79 SER HA 1 81 GLN H 1.800 . 5.000 3.849 3.292 4.256 . 0 0 "[ . 1 . 2]" 1
82 1 81 GLN HA 1 83 HIS H 1.800 . 5.000 3.760 3.309 4.776 . 0 0 "[ . 1 . 2]" 1
83 1 32 VAL HA 1 35 ALA H 1.800 . 5.000 3.382 3.178 3.620 . 0 0 "[ . 1 . 2]" 1
84 1 33 TYR HA 1 36 PHE H 1.800 . 5.000 3.385 3.021 3.762 . 0 0 "[ . 1 . 2]" 1
85 1 34 GLU HA 1 37 ASP H 1.800 . 5.000 3.608 3.363 3.904 . 0 0 "[ . 1 . 2]" 1
86 1 35 ALA HA 1 38 PHE H 1.800 . 5.000 3.475 3.268 3.683 . 0 0 "[ . 1 . 2]" 1
87 1 36 PHE HA 1 39 LEU H 1.800 . 5.000 3.603 3.438 3.869 . 0 0 "[ . 1 . 2]" 1
88 1 38 PHE HA 1 41 HIS H 1.800 . 5.000 3.377 3.106 3.945 . 0 0 "[ . 1 . 2]" 1
89 1 40 GLN HA 1 43 TRP H 1.800 . 5.000 5.036 4.949 5.091 0.091 8 0 "[ . 1 . 2]" 1
90 1 49 ARG HA 1 52 GLU H 1.800 . 5.000 3.232 2.788 3.767 . 0 0 "[ . 1 . 2]" 1
91 1 50 ALA HA 1 53 GLN H 1.800 . 5.000 3.529 3.057 3.952 . 0 0 "[ . 1 . 2]" 1
92 1 51 HIS HA 1 54 ALA H 1.800 . 5.000 3.626 3.321 3.900 . 0 0 "[ . 1 . 2]" 1
93 1 52 GLU HA 1 55 LEU H 1.800 . 5.000 3.510 2.992 3.889 . 0 0 "[ . 1 . 2]" 1
94 1 53 GLN HA 1 56 ARG H 1.800 . 5.000 3.438 3.047 3.686 . 0 0 "[ . 1 . 2]" 1
95 1 54 ALA HA 1 57 LEU H 1.800 . 5.000 3.654 3.454 3.955 . 0 0 "[ . 1 . 2]" 1
96 1 55 LEU HA 1 58 CYS H 1.800 . 5.000 3.607 3.361 3.753 . 0 0 "[ . 1 . 2]" 1
97 1 58 CYS HA 1 61 SER H 1.800 . 5.000 3.428 3.203 3.678 . 0 0 "[ . 1 . 2]" 1
98 1 59 ARG HA 1 62 LEU H 1.800 . 5.000 3.443 3.127 3.830 . 0 0 "[ . 1 . 2]" 1
99 1 60 ALA HA 1 63 MET H 1.800 . 5.000 3.344 3.106 3.664 . 0 0 "[ . 1 . 2]" 1
100 1 61 SER HA 1 64 GLY H 1.800 . 5.000 3.397 3.143 4.231 . 0 0 "[ . 1 . 2]" 1
101 1 69 GLU HA 1 72 ARG H 1.800 . 3.500 3.271 2.907 3.555 0.055 18 0 "[ . 1 . 2]" 1
102 1 70 ILE HA 1 73 THR H 1.800 . 5.000 3.729 3.379 4.019 . 0 0 "[ . 1 . 2]" 1
103 1 71 ALA HA 1 74 ALA H 1.800 . 5.000 3.626 3.419 3.884 . 0 0 "[ . 1 . 2]" 1
104 1 73 THR HA 1 76 VAL H 1.800 . 5.000 3.575 3.297 3.917 . 0 0 "[ . 1 . 2]" 1
105 1 74 ALA HA 1 77 ALA H 1.800 . 5.000 3.235 3.099 3.366 . 0 0 "[ . 1 . 2]" 1
106 1 76 VAL HA 1 79 SER H 1.800 . 5.000 3.290 3.125 3.488 . 0 0 "[ . 1 . 2]" 1
107 1 80 ARG HA 1 83 HIS H 1.800 . 5.000 3.412 3.080 4.156 . 0 0 "[ . 1 . 2]" 1
108 1 34 GLU HA 1 38 PHE H 1.800 . 5.000 4.019 3.830 4.419 . 0 0 "[ . 1 . 2]" 1
109 1 35 ALA HA 1 39 LEU H 1.800 . 5.000 4.109 3.924 4.362 . 0 0 "[ . 1 . 2]" 1
110 1 38 PHE HA 1 42 GLU H 1.800 . 5.000 3.545 2.877 4.073 . 0 0 "[ . 1 . 2]" 1
111 1 39 LEU HA 1 43 TRP H 1.800 . 5.000 4.028 3.473 4.892 . 0 0 "[ . 1 . 2]" 1
112 1 49 ARG HA 1 53 GLN H 1.800 . 5.000 3.829 3.351 4.544 . 0 0 "[ . 1 . 2]" 1
113 1 51 HIS HA 1 55 LEU H 1.800 . 5.000 4.369 4.067 4.603 . 0 0 "[ . 1 . 2]" 1
114 1 54 ALA HA 1 58 CYS H 1.800 . 5.000 4.195 3.976 4.413 . 0 0 "[ . 1 . 2]" 1
115 1 56 ARG HA 1 60 ALA H 1.800 . 5.000 4.009 3.643 4.484 . 0 0 "[ . 1 . 2]" 1
116 1 69 GLU HA 1 73 THR H 1.800 . 5.000 4.021 3.587 4.546 . 0 0 "[ . 1 . 2]" 1
117 1 73 THR HA 1 77 ALA H 1.800 . 5.000 4.447 4.234 4.641 . 0 0 "[ . 1 . 2]" 1
118 1 74 ALA HA 1 78 ALA H 1.800 . 5.000 4.265 3.952 4.549 . 0 0 "[ . 1 . 2]" 1
119 1 11 VAL HB 1 12 LYS H 1.800 . 5.000 4.171 3.591 4.422 . 0 0 "[ . 1 . 2]" 1
120 1 20 SER QB 1 21 LEU H 1.800 . 4.500 3.683 3.294 3.982 . 0 0 "[ . 1 . 2]" 1
121 1 59 ARG QB 1 60 ALA H 1.800 . 4.500 2.526 2.316 2.776 . 0 0 "[ . 1 . 2]" 1
122 1 66 VAL HB 1 67 ALA H 1.800 . 5.000 4.192 4.045 4.365 . 0 0 "[ . 1 . 2]" 1
123 1 70 ILE HB 1 71 ALA H 1.800 . 5.000 2.516 2.264 2.758 . 0 0 "[ . 1 . 2]" 1
124 1 73 THR HB 1 74 ALA H 1.800 . 5.000 2.675 2.398 3.501 . 0 0 "[ . 1 . 2]" 1
125 1 76 VAL HB 1 77 ALA H 1.800 . 5.000 2.696 2.579 2.881 . 0 0 "[ . 1 . 2]" 1
126 1 80 ARG QB 1 81 GLN H 1.800 . 4.500 2.778 2.463 3.720 . 0 0 "[ . 1 . 2]" 1
127 1 95 THR HB 1 96 ILE H 1.800 . 3.500 2.918 1.944 3.559 0.059 5 0 "[ . 1 . 2]" 1
128 1 11 VAL MG1 1 12 LYS H 1.800 . 5.000 3.326 2.320 4.276 . 0 0 "[ . 1 . 2]" 1
129 1 11 VAL MG2 1 12 LYS H 1.800 . 5.000 3.856 2.541 4.285 . 0 0 "[ . 1 . 2]" 1
130 1 12 LYS QG 1 13 TRP H 1.800 . 5.000 3.429 2.300 4.437 . 0 0 "[ . 1 . 2]" 1
131 1 13 TRP HD1 1 14 GLU H 1.800 . 5.000 2.476 1.918 2.719 . 0 0 "[ . 1 . 2]" 1
132 1 13 TRP HE1 1 14 GLU H 1.800 . 5.000 4.961 4.104 5.076 0.076 13 0 "[ . 1 . 2]" 1
133 1 17 VAL MG1 1 18 THR H 1.800 . 5.000 2.879 2.407 3.579 . 0 0 "[ . 1 . 2]" 1
134 1 18 THR MG 1 19 ILE H 1.800 . 5.000 3.190 2.764 4.013 . 0 0 "[ . 1 . 2]" 1
135 1 19 ILE MG 1 20 SER H 1.800 . 5.000 3.435 2.487 4.190 . 0 0 "[ . 1 . 2]" 1
136 1 19 ILE MD 1 20 SER H 1.800 . 5.000 3.878 2.812 4.774 . 0 0 "[ . 1 . 2]" 1
137 1 21 LEU MD2 1 22 GLN H 1.800 . 5.000 3.640 2.724 4.209 . 0 0 "[ . 1 . 2]" 1
138 1 27 ARG QG 1 28 ILE H 1.800 . 5.000 3.633 2.342 4.229 . 0 0 "[ . 1 . 2]" 1
139 1 28 ILE MG 1 29 PHE H 1.800 . 5.000 2.941 2.685 3.171 . 0 0 "[ . 1 . 2]" 1
140 1 32 VAL MG1 1 33 TYR H 1.800 . 5.000 3.748 3.522 3.979 . 0 0 "[ . 1 . 2]" 1
141 1 33 TYR QD 1 34 GLU H 1.800 . 5.000 3.658 3.416 3.819 . 0 0 "[ . 1 . 2]" 1
142 1 34 GLU QG 1 35 ALA H 1.800 . 5.000 3.875 2.356 4.322 . 0 0 "[ . 1 . 2]" 1
143 1 36 PHE QD 1 37 ASP H 1.800 . 5.000 3.524 3.223 4.029 . 0 0 "[ . 1 . 2]" 1
144 1 38 PHE QD 1 39 LEU H 1.800 . 5.000 3.496 3.188 3.914 . 0 0 "[ . 1 . 2]" 1
145 1 42 GLU QG 1 43 TRP H 1.800 . 5.000 4.179 3.416 4.974 . 0 0 "[ . 1 . 2]" 1
146 1 44 PRO QG 1 45 ALA H 1.800 . 5.000 3.700 2.202 4.768 . 0 0 "[ . 1 . 2]" 1
147 1 44 PRO QD 1 45 ALA H 1.800 . 5.000 3.234 2.329 4.774 . 0 0 "[ . 1 . 2]" 1
148 1 52 GLU QG 1 53 GLN H 1.800 . 5.000 3.785 3.059 4.175 . 0 0 "[ . 1 . 2]" 1
149 1 53 GLN QG 1 54 ALA H 1.800 . 5.000 3.810 3.282 4.206 . 0 0 "[ . 1 . 2]" 1
150 1 56 ARG QG 1 57 LEU H 1.800 . 5.000 3.755 3.104 4.222 . 0 0 "[ . 1 . 2]" 1
151 1 57 LEU HG 1 58 CYS H 1.800 . 5.000 4.311 4.197 4.505 . 0 0 "[ . 1 . 2]" 1
152 1 57 LEU MD1 1 58 CYS H 1.800 . 5.000 4.371 4.155 4.688 . 0 0 "[ . 1 . 2]" 1
153 1 57 LEU MD2 1 58 CYS H 1.800 . 5.000 4.659 4.607 4.730 . 0 0 "[ . 1 . 2]" 1
154 1 62 LEU HG 1 63 MET H 1.800 . 5.000 4.540 4.134 4.860 . 0 0 "[ . 1 . 2]" 1
155 1 66 VAL MG1 1 67 ALA H 1.800 . 5.000 2.693 2.462 3.047 . 0 0 "[ . 1 . 2]" 1
156 1 66 VAL MG2 1 67 ALA H 1.800 . 5.000 4.017 3.797 4.166 . 0 0 "[ . 1 . 2]" 1
157 1 70 ILE MG 1 71 ALA H 1.800 . 5.000 3.380 3.103 3.634 . 0 0 "[ . 1 . 2]" 1
158 1 73 THR MG 1 74 ALA H 1.800 . 5.000 3.660 3.480 4.069 . 0 0 "[ . 1 . 2]" 1
159 1 75 PHE QD 1 76 VAL H 1.800 . 5.000 3.734 3.307 4.061 . 0 0 "[ . 1 . 2]" 1
160 1 76 VAL MG1 1 77 ALA H 1.800 . 5.000 3.486 3.359 3.695 . 0 0 "[ . 1 . 2]" 1
161 1 76 VAL MG2 1 77 ALA H 1.800 . 5.000 3.863 3.814 3.950 . 0 0 "[ . 1 . 2]" 1
162 1 81 GLN QG 1 82 ALA H 1.800 . 5.000 4.069 3.552 4.492 . 0 0 "[ . 1 . 2]" 1
163 1 85 LEU HG 1 86 MET H 1.800 . 5.000 4.902 4.060 5.068 0.068 19 0 "[ . 1 . 2]" 1
164 1 85 LEU MD1 1 86 MET H 1.800 . 5.000 4.679 3.048 5.050 0.050 3 0 "[ . 1 . 2]" 1
165 1 85 LEU MD2 1 86 MET H 1.800 . 5.000 3.547 3.325 4.732 . 0 0 "[ . 1 . 2]" 1
166 1 86 MET QG 1 87 GLU H 1.800 . 5.000 3.949 2.626 4.664 . 0 0 "[ . 1 . 2]" 1
167 1 25 ALA H 1 26 PRO QD 1.800 . 5.000 3.829 3.400 4.316 . 0 0 "[ . 1 . 2]" 1
168 1 27 ARG H 1 28 ILE QG 1.800 . 5.000 4.743 4.395 5.035 0.035 9 0 "[ . 1 . 2]" 1
169 1 43 TRP H 1 44 PRO QD 1.800 . 5.000 4.135 3.863 4.396 . 0 0 "[ . 1 . 2]" 1
170 1 53 GLN H 1 54 ALA MB 1.800 . 5.000 4.396 4.259 4.499 . 0 0 "[ . 1 . 2]" 1
171 1 59 ARG H 1 60 ALA MB 1.800 . 5.000 4.363 4.231 4.465 . 0 0 "[ . 1 . 2]" 1
172 1 65 ASP H 1 66 VAL HB 1.800 . 5.000 4.694 4.272 5.015 0.015 20 0 "[ . 1 . 2]" 1
173 1 65 ASP H 1 66 VAL MG2 1.800 . 5.000 4.037 3.459 4.493 . 0 0 "[ . 1 . 2]" 1
174 1 75 PHE H 1 76 VAL MG2 1.800 . 5.000 4.097 3.888 4.329 . 0 0 "[ . 1 . 2]" 1
175 1 81 GLN H 1 82 ALA MB 1.800 . 5.000 4.255 4.001 4.454 . 0 0 "[ . 1 . 2]" 1
176 1 13 TRP QB 1 15 LYS H 1.800 . 5.000 3.085 2.195 4.541 . 0 0 "[ . 1 . 2]" 1
177 1 21 LEU QB 1 23 ASN H 1.800 . 5.000 2.590 2.176 3.460 . 0 0 "[ . 1 . 2]" 1
178 1 29 PHE QB 1 31 GLY H 1.800 . 5.000 3.044 2.606 3.554 . 0 0 "[ . 1 . 2]" 1
179 1 61 SER QB 1 63 MET H 1.800 . 5.000 4.488 4.305 4.661 . 0 0 "[ . 1 . 2]" 1
180 1 63 MET QB 1 65 ASP H 1.800 . 5.000 3.087 2.581 5.073 0.073 6 0 "[ . 1 . 2]" 1
181 1 82 ALA MB 1 84 CYS H 1.800 . 5.000 2.851 2.483 3.565 . 0 0 "[ . 1 . 2]" 1
182 1 43 TRP HD1 1 45 ALA H 1.800 . 5.000 3.493 1.906 4.538 . 0 0 "[ . 1 . 2]" 1
183 1 43 TRP HE1 1 45 ALA H 1.800 . 5.000 3.985 3.308 5.092 0.092 13 0 "[ . 1 . 2]" 1
184 1 66 VAL MG1 1 68 GLY H 1.800 . 5.000 3.231 1.782 4.872 0.018 18 0 "[ . 1 . 2]" 1
185 1 70 ILE MG 1 72 ARG H 1.800 . 5.000 4.955 4.816 5.014 0.014 5 0 "[ . 1 . 2]" 1
186 1 67 ALA MB 1 70 ILE H 1.800 . 5.000 3.688 2.585 4.393 . 0 0 "[ . 1 . 2]" 1
187 1 76 VAL MG1 1 79 SER H 1.800 . 5.000 4.562 4.284 4.832 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU QB 1 25 ALA H 1.800 . 5.000 2.868 1.840 3.374 . 0 0 "[ . 1 . 2]" 1
189 1 49 ARG QB 1 53 GLN H 1.800 . 5.000 4.474 3.878 5.063 0.063 12 0 "[ . 1 . 2]" 1
190 1 21 LEU MD1 1 25 ALA H 1.800 . 5.000 4.220 2.376 5.004 0.004 16 0 "[ . 1 . 2]" 1
191 1 32 VAL MG1 1 36 PHE H 1.800 . 5.000 3.667 3.397 3.979 . 0 0 "[ . 1 . 2]" 1
192 1 70 ILE MG 1 74 ALA H 1.800 . 5.000 4.207 3.766 4.500 . 0 0 "[ . 1 . 2]" 1
193 1 76 VAL MG1 1 80 ARG H 1.800 . 5.000 4.382 3.933 4.964 . 0 0 "[ . 1 . 2]" 1
194 1 32 VAL HA 1 35 ALA MB 1.800 . 5.000 2.770 2.480 3.014 . 0 0 "[ . 1 . 2]" 1
195 1 33 TYR HA 1 36 PHE QB 1.800 . 5.000 2.550 2.155 3.027 . 0 0 "[ . 1 . 2]" 1
196 1 34 GLU HA 1 37 ASP QB 1.800 . 5.000 2.735 2.392 3.174 . 0 0 "[ . 1 . 2]" 1
197 1 35 ALA HA 1 38 PHE QB 1.800 . 5.000 2.521 2.175 2.818 . 0 0 "[ . 1 . 2]" 1
198 1 36 PHE HA 1 39 LEU QB 1.800 . 5.000 2.972 2.694 3.316 . 0 0 "[ . 1 . 2]" 1
199 1 49 ARG HA 1 52 GLU QB 1.800 . 5.000 2.456 1.904 3.259 . 0 0 "[ . 1 . 2]" 1
200 1 50 ALA HA 1 53 GLN QB 1.800 . 5.000 2.770 2.384 3.363 . 0 0 "[ . 1 . 2]" 1
201 1 51 HIS HA 1 54 ALA MB 1.800 . 5.000 2.867 2.490 3.211 . 0 0 "[ . 1 . 2]" 1
202 1 52 GLU HA 1 55 LEU QB 1.800 . 4.500 2.832 2.066 3.457 . 0 0 "[ . 1 . 2]" 1
203 1 53 GLN HA 1 56 ARG QB 1.800 . 4.500 2.571 2.087 3.016 . 0 0 "[ . 1 . 2]" 1
204 1 54 ALA HA 1 57 LEU QB 1.800 . 5.000 2.962 2.733 3.433 . 0 0 "[ . 1 . 2]" 1
205 1 56 ARG HA 1 59 ARG QB 1.800 . 5.000 2.634 2.204 3.152 . 0 0 "[ . 1 . 2]" 1
206 1 57 LEU HA 1 60 ALA MB 1.800 . 5.000 2.815 2.301 3.238 . 0 0 "[ . 1 . 2]" 1
207 1 58 CYS HA 1 61 SER QB 1.800 . 4.500 2.730 2.324 3.727 . 0 0 "[ . 1 . 2]" 1
208 1 60 ALA HA 1 63 MET QB 1.800 . 5.000 2.653 2.171 3.171 . 0 0 "[ . 1 . 2]" 1
209 1 69 GLU HA 1 72 ARG QB 1.800 . 5.000 2.419 1.787 3.245 0.013 19 0 "[ . 1 . 2]" 1
210 1 71 ALA HA 1 74 ALA MB 1.800 . 5.000 2.747 2.385 3.146 . 0 0 "[ . 1 . 2]" 1
211 1 73 THR HA 1 76 VAL HB 1.800 . 5.000 3.093 2.619 3.399 . 0 0 "[ . 1 . 2]" 1
212 1 74 ALA HA 1 77 ALA MB 1.800 . 5.000 2.489 2.179 2.791 . 0 0 "[ . 1 . 2]" 1
213 1 75 PHE HA 1 78 ALA MB 1.800 . 5.000 2.733 2.250 3.135 . 0 0 "[ . 1 . 2]" 1
214 1 76 VAL HA 1 79 SER QB 1.800 . 5.000 2.866 2.347 3.889 . 0 0 "[ . 1 . 2]" 1
215 1 79 SER HA 1 82 ALA MB 1.800 . 5.000 2.953 1.921 4.173 . 0 0 "[ . 1 . 2]" 1
216 1 36 PHE HA 1 39 LEU MD1 1.800 . 5.000 2.274 1.867 2.739 . 0 0 "[ . 1 . 2]" 1
217 1 52 GLU HA 1 55 LEU MD1 1.800 . 5.000 2.854 1.991 4.575 . 0 0 "[ . 1 . 2]" 1
218 1 54 ALA HA 1 57 LEU MD1 1.800 . 5.000 2.458 1.817 3.478 . 0 0 "[ . 1 . 2]" 1
219 1 59 ARG HA 1 62 LEU MD1 1.800 . 5.000 2.510 2.021 3.423 . 0 0 "[ . 1 . 2]" 1
220 1 60 ALA HA 1 63 MET QG 1.800 . 5.000 3.254 2.608 4.374 . 0 0 "[ . 1 . 2]" 1
221 1 69 GLU HA 1 72 ARG QD 1.800 . 5.000 3.477 2.541 4.933 . 0 0 "[ . 1 . 2]" 1
222 1 70 ILE HA 1 73 THR MG 1.800 . 5.000 4.644 4.168 5.015 0.015 10 0 "[ . 1 . 2]" 1
223 1 73 THR HA 1 76 VAL MG1 1.800 . 5.000 4.365 3.903 4.629 . 0 0 "[ . 1 . 2]" 1
224 1 73 THR HA 1 76 VAL MG2 1.800 . 5.000 3.043 2.481 3.514 . 0 0 "[ . 1 . 2]" 1
225 1 11 VAL H 1 32 VAL H 1.800 . 5.000 4.261 3.410 4.908 . 0 0 "[ . 1 . 2]" 1
226 1 17 VAL H 1 29 PHE H 1.800 . 5.000 3.171 2.923 3.759 . 0 0 "[ . 1 . 2]" 1
227 1 19 ILE H 1 27 ARG H 1.800 . 3.500 3.172 2.841 3.464 . 0 0 "[ . 1 . 2]" 1
228 1 48 ASP H 1 51 HIS H 1.800 . 5.000 3.456 2.590 4.536 . 0 0 "[ . 1 . 2]" 1
229 1 48 ASP H 1 52 GLU H 1.800 . 5.000 4.851 4.340 5.062 0.062 4 0 "[ . 1 . 2]" 1
230 1 12 LYS HA 1 32 VAL H 1.800 . 5.000 3.106 2.292 3.920 . 0 0 "[ . 1 . 2]" 1
231 1 18 THR HA 1 29 PHE H 1.800 . 5.000 3.620 3.135 4.359 . 0 0 "[ . 1 . 2]" 1
232 1 19 ILE HA 1 86 MET H 1.800 . 5.000 4.775 3.807 5.024 0.024 9 0 "[ . 1 . 2]" 1
233 1 20 SER HA 1 27 ARG H 1.800 . 5.000 3.445 3.001 3.810 . 0 0 "[ . 1 . 2]" 1
234 1 61 SER HA 1 66 VAL H 1.800 . 3.500 2.409 1.797 3.248 0.003 17 0 "[ . 1 . 2]" 1
235 1 13 TRP H 1 31 GLY QA 1.800 . 5.000 2.264 1.786 3.717 0.014 7 0 "[ . 1 . 2]" 1
236 1 19 ILE H 1 28 ILE HA 1.800 . 5.000 3.516 3.230 3.937 . 0 0 "[ . 1 . 2]" 1
237 1 21 LEU H 1 26 PRO HA 1.800 . 5.000 3.469 2.775 4.403 . 0 0 "[ . 1 . 2]" 1
238 1 12 LYS HA 1 31 GLY QA 1.800 . 5.000 1.978 1.702 2.609 0.098 13 0 "[ . 1 . 2]" 1
239 1 18 THR HA 1 26 PRO HA 1.800 . 5.000 5.018 4.719 5.064 0.064 13 0 "[ . 1 . 2]" 1
240 1 13 TRP QB 1 31 GLY H 1.800 . 5.000 4.264 3.333 4.995 . 0 0 "[ . 1 . 2]" 1
241 1 13 TRP HE1 1 72 ARG H 1.800 . 5.000 2.755 2.296 3.353 . 0 0 "[ . 1 . 2]" 1
242 1 18 THR MG 1 27 ARG H 1.800 . 5.000 3.717 3.179 5.012 0.012 9 0 "[ . 1 . 2]" 1
243 1 19 ILE HB 1 27 ARG H 1.800 . 5.000 4.339 3.473 5.030 0.030 2 0 "[ . 1 . 2]" 1
244 1 19 ILE MG 1 27 ARG H 1.800 . 5.000 3.261 2.415 4.164 . 0 0 "[ . 1 . 2]" 1
245 1 21 LEU MD1 1 27 ARG H 1.800 . 5.000 3.995 2.859 4.776 . 0 0 "[ . 1 . 2]" 1
246 1 32 VAL MG1 1 58 CYS H 1.800 . 5.000 4.365 4.129 4.614 . 0 0 "[ . 1 . 2]" 1
247 1 32 VAL MG1 1 61 SER H 1.800 . 5.000 3.840 3.677 4.193 . 0 0 "[ . 1 . 2]" 1
248 1 32 VAL MG1 1 62 LEU H 1.800 . 5.000 3.588 2.933 4.505 . 0 0 "[ . 1 . 2]" 1
249 1 36 PHE QB 1 59 ARG H 1.800 . 5.000 4.599 4.152 5.003 0.003 19 0 "[ . 1 . 2]" 1
250 1 36 PHE QD 1 59 ARG H 1.800 . 5.000 3.516 3.053 4.122 . 0 0 "[ . 1 . 2]" 1
251 1 39 LEU MD1 1 55 LEU H 1.800 . 5.000 3.350 2.867 3.903 . 0 0 "[ . 1 . 2]" 1
252 1 50 ALA MB 1 81 GLN H 1.800 . 5.000 4.598 3.534 5.026 0.026 11 0 "[ . 1 . 2]" 1
253 1 57 LEU MD1 1 74 ALA H 1.800 . 5.000 4.193 3.497 4.540 . 0 0 "[ . 1 . 2]" 1
254 1 60 ALA MB 1 65 ASP H 1.800 . 5.000 4.062 3.743 5.029 0.029 6 0 "[ . 1 . 2]" 1
255 1 60 ALA MB 1 66 VAL H 1.800 . 5.000 3.778 2.902 5.035 0.035 20 0 "[ . 1 . 2]" 1
256 1 61 SER QB 1 66 VAL H 1.800 . 5.000 4.276 3.636 4.865 . 0 0 "[ . 1 . 2]" 1
257 1 66 VAL MG1 1 71 ALA H 1.800 . 5.000 2.428 2.047 2.748 . 0 0 "[ . 1 . 2]" 1
258 1 66 VAL MG2 1 71 ALA H 1.800 . 5.000 4.783 4.150 5.057 0.057 6 0 "[ . 1 . 2]" 1
259 1 66 VAL MG1 1 72 ARG H 1.800 . 5.000 4.436 4.086 4.816 . 0 0 "[ . 1 . 2]" 1
260 1 76 VAL MG1 1 86 MET H 1.800 . 5.000 4.295 3.353 5.010 0.010 10 0 "[ . 1 . 2]" 1
261 1 76 VAL MG2 1 86 MET H 1.800 . 5.000 4.875 4.341 5.028 0.028 14 0 "[ . 1 . 2]" 1
262 1 10 ASP H 1 62 LEU MD2 1.800 . 5.000 4.570 3.122 5.037 0.037 5 0 "[ . 1 . 2]" 1
263 1 11 VAL H 1 32 VAL MG2 1.800 . 5.000 4.412 3.582 4.980 . 0 0 "[ . 1 . 2]" 1
264 1 11 VAL H 1 62 LEU MD2 1.800 . 5.000 2.589 2.105 3.489 . 0 0 "[ . 1 . 2]" 1
265 1 17 VAL H 1 28 ILE MG 1.800 . 5.000 3.303 1.795 4.544 0.005 3 0 "[ . 1 . 2]" 1
266 1 17 VAL H 1 29 PHE QB 1.800 . 5.000 3.261 2.582 4.678 . 0 0 "[ . 1 . 2]" 1
267 1 18 THR H 1 28 ILE MG 1.800 . 5.000 4.339 3.747 5.005 0.005 6 0 "[ . 1 . 2]" 1
268 1 19 ILE H 1 29 PHE QE 1.800 . 5.000 3.804 2.833 5.003 0.003 7 0 "[ . 1 . 2]" 1
269 1 20 SER H 1 86 MET QG 1.800 . 5.000 3.982 2.692 5.010 0.010 11 0 "[ . 1 . 2]" 1
270 1 31 GLY H 1 34 GLU QB 1.800 . 5.000 2.960 2.232 4.168 . 0 0 "[ . 1 . 2]" 1
271 1 31 GLY H 1 35 ALA MB 1.800 . 5.000 4.989 4.705 5.067 0.067 4 0 "[ . 1 . 2]" 1
272 1 33 TYR H 1 62 LEU MD2 1.800 . 5.000 2.879 2.381 4.075 . 0 0 "[ . 1 . 2]" 1
273 1 40 GLN H 1 55 LEU MD2 1.800 . 5.000 3.993 3.145 5.005 0.005 11 0 "[ . 1 . 2]" 1
274 1 48 ASP H 1 51 HIS QB 1.800 . 5.000 3.021 2.407 3.873 . 0 0 "[ . 1 . 2]" 1
275 1 53 GLN H 1 56 ARG QB 1.800 . 5.000 4.744 4.226 5.038 0.038 12 0 "[ . 1 . 2]" 1
276 1 61 SER H 1 66 VAL HB 1.800 . 5.000 3.434 2.918 3.984 . 0 0 "[ . 1 . 2]" 1
277 1 61 SER H 1 66 VAL MG1 1.800 . 5.000 4.440 3.957 5.015 0.015 19 0 "[ . 1 . 2]" 1
278 1 61 SER H 1 66 VAL MG2 1.800 . 5.000 3.377 2.892 3.770 . 0 0 "[ . 1 . 2]" 1
279 1 61 SER H 1 71 ALA MB 1.800 . 5.000 4.613 4.355 5.007 0.007 6 0 "[ . 1 . 2]" 1
280 1 67 ALA H 1 70 ILE MD 1.800 . 5.000 2.605 1.813 4.110 . 0 0 "[ . 1 . 2]" 1
281 1 75 PHE H 1 78 ALA MB 1.800 . 5.000 4.860 4.557 5.009 0.009 15 0 "[ . 1 . 2]" 1
282 1 80 ARG H 1 85 LEU MD2 1.800 . 5.000 3.119 2.684 4.176 . 0 0 "[ . 1 . 2]" 1
283 1 10 ASP HA 1 62 LEU MD2 1.800 . 5.000 3.366 2.149 5.034 0.034 11 0 "[ . 1 . 2]" 1
284 1 11 VAL HA 1 32 VAL MG2 1.800 . 5.000 4.673 4.337 4.993 . 0 0 "[ . 1 . 2]" 1
285 1 11 VAL MG2 1 62 LEU HA 1.800 . 5.000 2.799 1.906 5.017 0.017 20 0 "[ . 1 . 2]" 1
286 1 13 TRP HE1 1 68 GLY QA 1.800 . 5.000 2.740 2.107 3.524 . 0 0 "[ . 1 . 2]" 1
287 1 13 TRP HE1 1 72 ARG HA 1.800 . 5.000 3.793 3.077 4.786 . 0 0 "[ . 1 . 2]" 1
288 1 18 THR HA 1 28 ILE MG 1.800 . 5.000 3.577 3.156 3.988 . 0 0 "[ . 1 . 2]" 1
289 1 19 ILE MD 1 79 SER HA 1.800 . 5.000 4.587 3.914 5.037 0.037 10 0 "[ . 1 . 2]" 1
290 1 29 PHE QD 1 35 ALA HA 1.800 . 5.000 3.488 3.031 3.868 . 0 0 "[ . 1 . 2]" 1
291 1 29 PHE QE 1 35 ALA HA 1.800 . 5.000 3.363 2.823 4.006 . 0 0 "[ . 1 . 2]" 1
292 1 32 VAL HB 1 58 CYS HA 1.800 . 5.000 4.725 4.279 5.029 0.029 8 0 "[ . 1 . 2]" 1
293 1 32 VAL MG1 1 58 CYS HA 1.800 . 5.000 2.195 1.959 2.430 . 0 0 "[ . 1 . 2]" 1
294 1 32 VAL MG2 1 68 GLY QA 1.800 . 5.000 3.528 2.374 4.159 . 0 0 "[ . 1 . 2]" 1
295 1 33 TYR HA 1 62 LEU MD1 1.800 . 5.000 2.578 1.798 4.327 0.002 6 0 "[ . 1 . 2]" 1
296 1 33 TYR HA 1 62 LEU MD2 1.800 . 5.000 2.725 2.013 3.637 . 0 0 "[ . 1 . 2]" 1
297 1 36 PHE QB 1 58 CYS HA 1.800 . 5.000 4.279 4.041 4.621 . 0 0 "[ . 1 . 2]" 1
298 1 36 PHE QD 1 55 LEU HA 1.800 . 5.000 2.586 2.163 3.634 . 0 0 "[ . 1 . 2]" 1
299 1 36 PHE QE 1 55 LEU HA 1.800 . 5.000 3.164 2.792 4.484 . 0 0 "[ . 1 . 2]" 1
300 1 37 ASP HA 1 41 HIS HD2 1.800 . 5.000 3.692 2.966 4.663 . 0 0 "[ . 1 . 2]" 1
301 1 39 LEU HA 1 43 TRP HE3 1.800 . 5.000 3.545 3.090 4.458 . 0 0 "[ . 1 . 2]" 1
302 1 39 LEU HA 1 43 TRP QB 1.800 . 5.000 2.111 1.788 2.616 0.012 19 0 "[ . 1 . 2]" 1
303 1 39 LEU MD1 1 55 LEU HA 1.800 . 5.000 2.719 2.219 3.166 . 0 0 "[ . 1 . 2]" 1
304 1 40 GLN HA 1 55 LEU MD1 1.800 . 5.000 4.140 3.548 5.002 0.002 3 0 "[ . 1 . 2]" 1
305 1 40 GLN HA 1 55 LEU MD2 1.800 . 5.000 3.641 2.979 4.381 . 0 0 "[ . 1 . 2]" 1
306 1 43 TRP HD1 1 46 ARG HA 1.800 . 5.000 3.706 1.774 4.887 0.026 1 0 "[ . 1 . 2]" 1
307 1 45 ALA MB 1 82 ALA HA 1.800 . 5.000 3.111 1.940 4.354 . 0 0 "[ . 1 . 2]" 1
308 1 50 ALA MB 1 78 ALA HA 1.800 . 5.000 3.113 2.370 4.127 . 0 0 "[ . 1 . 2]" 1
309 1 51 HIS HA 1 78 ALA MB 1.800 . 5.000 4.149 2.127 4.994 . 0 0 "[ . 1 . 2]" 1
310 1 54 ALA MB 1 75 PHE HA 1.800 . 5.000 3.731 2.061 4.633 . 0 0 "[ . 1 . 2]" 1
311 1 57 LEU HA 1 66 VAL MG2 1.800 . 5.000 3.188 2.254 4.051 . 0 0 "[ . 1 . 2]" 1
312 1 57 LEU MD2 1 71 ALA HA 1.800 . 5.000 3.612 2.073 4.664 . 0 0 "[ . 1 . 2]" 1
313 1 57 LEU MD1 1 75 PHE HA 1.800 . 5.000 3.685 2.284 5.047 0.047 16 0 "[ . 1 . 2]" 1
314 1 58 CYS HA 1 71 ALA MB 1.800 . 5.000 3.710 3.295 4.169 . 0 0 "[ . 1 . 2]" 1
315 1 66 VAL HA 1 70 ILE MD 1.800 . 5.000 3.421 2.762 4.448 . 0 0 "[ . 1 . 2]" 1
316 1 66 VAL MG1 1 68 GLY QA 1.800 . 5.000 3.742 2.574 4.622 . 0 0 "[ . 1 . 2]" 1
317 1 66 VAL MG1 1 71 ALA HA 1.800 . 5.000 3.029 2.485 4.188 . 0 0 "[ . 1 . 2]" 1
318 1 80 ARG HA 1 85 LEU QB 1.800 . 5.000 4.448 2.398 5.024 0.024 13 0 "[ . 1 . 2]" 1
319 1 80 ARG HA 1 85 LEU MD2 1.800 . 5.000 2.441 1.990 2.977 . 0 0 "[ . 1 . 2]" 1
320 1 9 ASN QB 1 11 VAL MG1 1.800 . 5.000 4.859 4.266 5.091 0.091 10 0 "[ . 1 . 2]" 1
321 1 10 ASP QB 1 62 LEU MD2 1.800 . 5.000 4.049 1.926 5.025 0.025 10 0 "[ . 1 . 2]" 1
322 1 11 VAL HB 1 32 VAL MG2 1.800 . 5.000 3.215 2.368 4.501 . 0 0 "[ . 1 . 2]" 1
323 1 13 TRP HD1 1 32 VAL MG2 1.800 . 5.000 4.087 3.522 4.604 . 0 0 "[ . 1 . 2]" 1
324 1 13 TRP HE1 1 32 VAL MG2 1.800 . 5.000 3.711 3.102 4.354 . 0 0 "[ . 1 . 2]" 1
325 1 13 TRP HE1 1 66 VAL MG1 1.800 . 5.000 4.892 4.557 5.064 0.064 7 0 "[ . 1 . 2]" 1
326 1 13 TRP HE1 1 71 ALA MB 1.800 . 5.000 2.617 2.116 3.468 . 0 0 "[ . 1 . 2]" 1
327 1 13 TRP HE1 1 72 ARG QB 1.800 . 5.000 2.715 2.193 4.233 . 0 0 "[ . 1 . 2]" 1
328 1 13 TRP HZ2 1 32 VAL MG2 1.800 . 5.000 3.630 3.166 4.335 . 0 0 "[ . 1 . 2]" 1
329 1 13 TRP HZ2 1 35 ALA MB 1.800 . 5.000 4.681 4.015 5.011 0.011 7 0 "[ . 1 . 2]" 1
330 1 13 TRP HZ2 1 71 ALA MB 1.800 . 5.000 2.307 1.808 2.873 . 0 0 "[ . 1 . 2]" 1
331 1 13 TRP HH2 1 35 ALA MB 1.800 . 5.000 2.787 2.275 3.254 . 0 0 "[ . 1 . 2]" 1
332 1 13 TRP HH2 1 75 PHE QB 1.800 . 5.000 3.605 2.593 4.435 . 0 0 "[ . 1 . 2]" 1
333 1 13 TRP HH2 1 75 PHE QD 1.800 . 5.000 3.736 2.832 4.355 . 0 0 "[ . 1 . 2]" 1
334 1 13 TRP HZ3 1 17 VAL HB 1.800 . 5.000 3.989 2.850 5.003 0.003 18 0 "[ . 1 . 2]" 1
335 1 13 TRP HE3 1 17 VAL MG2 1.800 . 5.000 3.361 2.457 4.447 . 0 0 "[ . 1 . 2]" 1
336 1 13 TRP HZ3 1 17 VAL MG1 1.800 . 5.000 4.415 3.049 5.001 0.001 19 0 "[ . 1 . 2]" 1
337 1 13 TRP HZ3 1 17 VAL MG2 1.800 . 5.000 3.556 2.852 4.158 . 0 0 "[ . 1 . 2]" 1
338 1 13 TRP HE3 1 29 PHE QB 1.800 . 5.000 2.951 2.273 3.593 . 0 0 "[ . 1 . 2]" 1
339 1 13 TRP HZ3 1 29 PHE QB 1.800 . 5.000 2.877 1.976 3.534 . 0 0 "[ . 1 . 2]" 1
340 1 13 TRP HZ3 1 35 ALA MB 1.800 . 5.000 1.929 1.782 2.136 0.018 17 0 "[ . 1 . 2]" 1
341 1 14 GLU QB 1 16 PRO QD 1.800 . 5.000 4.523 1.936 5.069 0.069 14 0 "[ . 1 . 2]" 1
342 1 16 PRO QB 1 28 ILE MG 1.800 . 5.000 2.435 1.796 4.468 0.004 2 0 "[ . 1 . 2]" 1
343 1 17 VAL HB 1 29 PHE QB 1.800 . 5.000 2.692 2.014 3.698 . 0 0 "[ . 1 . 2]" 1
344 1 17 VAL MG1 1 29 PHE QD 1.800 . 5.000 2.898 2.038 3.703 . 0 0 "[ . 1 . 2]" 1
345 1 17 VAL MG2 1 72 ARG QG 1.800 . 5.000 2.210 1.764 4.129 0.036 9 0 "[ . 1 . 2]" 1
346 1 17 VAL MG2 1 72 ARG HE 1.800 . 5.000 3.886 1.931 5.000 . 15 0 "[ . 1 . 2]" 1
347 1 17 VAL MG1 1 75 PHE QD 1.800 . 5.000 2.551 1.794 3.890 0.006 6 0 "[ . 1 . 2]" 1
348 1 17 VAL MG1 1 75 PHE QE 1.800 . 5.000 2.988 2.004 4.377 . 0 0 "[ . 1 . 2]" 1
349 1 18 THR HB 1 26 PRO QB 1.800 . 5.000 4.218 1.894 5.011 0.011 3 0 "[ . 1 . 2]" 1
350 1 18 THR HB 1 86 MET QB 1.800 . 5.000 3.195 2.048 4.473 . 0 0 "[ . 1 . 2]" 1
351 1 18 THR MG 1 26 PRO QB 1.800 . 5.000 2.169 1.839 2.806 . 0 0 "[ . 1 . 2]" 1
352 1 18 THR MG 1 28 ILE MD 1.800 . 5.000 3.143 2.736 3.613 . 0 0 "[ . 1 . 2]" 1
353 1 18 THR MG 1 86 MET QB 1.800 . 5.000 3.417 2.202 5.017 0.017 18 0 "[ . 1 . 2]" 1
354 1 18 THR MG 1 86 MET QG 1.800 . 5.000 3.219 2.052 4.639 . 0 0 "[ . 1 . 2]" 1
355 1 19 ILE HB 1 29 PHE QD 1.800 . 5.000 3.932 3.481 4.382 . 0 0 "[ . 1 . 2]" 1
356 1 19 ILE HB 1 29 PHE QE 1.800 . 5.000 2.276 1.786 3.027 0.014 16 0 "[ . 1 . 2]" 1
357 1 19 ILE HB 1 75 PHE QE 1.800 . 5.000 3.656 2.006 5.036 0.036 16 0 "[ . 1 . 2]" 1
358 1 19 ILE QG 1 29 PHE QE 1.800 . 5.000 2.929 1.773 4.421 0.027 3 0 "[ . 1 . 2]" 1
359 1 19 ILE QG 1 29 PHE HZ 1.800 . 5.000 4.159 3.465 5.012 0.012 10 0 "[ . 1 . 2]" 1
360 1 19 ILE QG 1 38 PHE QD 1.800 . 5.000 4.488 3.615 5.035 0.035 17 0 "[ . 1 . 2]" 1
361 1 19 ILE QG 1 43 TRP HE3 1.800 . 5.000 4.840 4.009 5.042 0.042 2 0 "[ . 1 . 2]" 1
362 1 19 ILE QG 1 75 PHE QD 1.800 . 5.000 4.432 3.502 5.043 0.043 13 0 "[ . 1 . 2]" 1
363 1 19 ILE QG 1 75 PHE QE 1.800 . 5.000 2.731 1.802 3.531 . 0 0 "[ . 1 . 2]" 1
364 1 19 ILE MG 1 29 PHE QD 1.800 . 5.000 4.299 3.435 5.042 0.042 20 0 "[ . 1 . 2]" 1
365 1 19 ILE MG 1 38 PHE QE 1.800 . 5.000 2.742 1.985 3.533 . 0 0 "[ . 1 . 2]" 1
366 1 19 ILE MG 1 38 PHE HZ 1.800 . 5.000 3.316 2.352 4.538 . 0 0 "[ . 1 . 2]" 1
367 1 19 ILE MG 1 43 TRP HE3 1.800 . 5.000 4.418 3.429 5.072 0.072 9 0 "[ . 1 . 2]" 1
368 1 19 ILE MD 1 29 PHE QD 1.800 . 5.000 4.507 4.097 5.022 0.022 11 0 "[ . 1 . 2]" 1
369 1 19 ILE MD 1 29 PHE QE 1.800 . 5.000 3.171 2.244 3.601 . 0 0 "[ . 1 . 2]" 1
370 1 19 ILE MD 1 29 PHE HZ 1.800 . 5.000 4.179 2.697 5.062 0.062 16 0 "[ . 1 . 2]" 1
371 1 19 ILE MD 1 38 PHE QD 1.800 . 5.000 4.069 2.882 5.045 0.045 13 0 "[ . 1 . 2]" 1
372 1 19 ILE MD 1 38 PHE QE 1.800 . 5.000 3.016 1.801 3.899 . 0 0 "[ . 1 . 2]" 1
373 1 19 ILE MD 1 38 PHE HZ 1.800 . 5.000 4.493 3.455 5.031 0.031 14 0 "[ . 1 . 2]" 1
374 1 19 ILE MD 1 43 TRP HE3 1.800 . 5.000 3.916 2.632 5.011 0.011 20 0 "[ . 1 . 2]" 1
375 1 19 ILE MD 1 75 PHE QD 1.800 . 5.000 3.531 2.460 4.634 . 0 0 "[ . 1 . 2]" 1
376 1 19 ILE MD 1 75 PHE QE 1.800 . 5.000 1.988 1.777 2.789 0.023 18 0 "[ . 1 . 2]" 1
377 1 19 ILE MD 1 75 PHE HZ 1.800 . 5.000 2.995 1.788 3.935 0.012 9 0 "[ . 1 . 2]" 1
378 1 19 ILE MD 1 79 SER QB 1.800 . 5.000 3.268 2.427 4.438 . 0 0 "[ . 1 . 2]" 1
379 1 20 SER QB 1 26 PRO QB 1.800 . 5.000 3.570 2.306 4.913 . 0 0 "[ . 1 . 2]" 1
380 1 20 SER QB 1 26 PRO QG 1.800 . 5.000 3.806 2.201 5.001 0.001 4 0 "[ . 1 . 2]" 1
381 1 20 SER QB 1 86 MET QB 1.800 . 5.000 3.786 2.338 5.052 0.052 18 0 "[ . 1 . 2]" 1
382 1 20 SER QB 1 86 MET QG 1.800 . 5.000 3.112 1.772 4.990 0.028 4 0 "[ . 1 . 2]" 1
383 1 21 LEU QB 1 44 PRO QG 1.800 . 5.000 3.826 2.596 5.020 0.020 15 0 "[ . 1 . 2]" 1
384 1 21 LEU QB 1 44 PRO QD 1.800 . 5.000 4.744 3.926 5.040 0.040 12 0 "[ . 1 . 2]" 1
385 1 21 LEU MD1 1 27 ARG QB 1.800 . 5.000 3.188 2.120 4.126 . 0 0 "[ . 1 . 2]" 1
386 1 21 LEU MD1 1 27 ARG QD 1.800 . 5.000 2.698 1.971 4.291 . 0 0 "[ . 1 . 2]" 1
387 1 21 LEU MD1 1 29 PHE HZ 1.800 . 5.000 4.615 3.315 5.033 0.033 4 0 "[ . 1 . 2]" 1
388 1 21 LEU MD2 1 38 PHE QD 1.800 . 5.000 4.283 3.057 5.008 0.008 2 0 "[ . 1 . 2]" 1
389 1 21 LEU MD2 1 38 PHE QE 1.800 . 5.000 2.545 1.805 3.060 . 0 0 "[ . 1 . 2]" 1
390 1 21 LEU MD1 1 38 PHE HZ 1.800 . 5.000 2.902 1.899 4.147 . 0 0 "[ . 1 . 2]" 1
391 1 21 LEU MD2 1 38 PHE HZ 1.800 . 5.000 2.241 1.779 4.298 0.021 15 0 "[ . 1 . 2]" 1
392 1 22 GLN QB 1 44 PRO QB 1.800 . 5.000 3.839 2.400 5.022 0.022 15 0 "[ . 1 . 2]" 1
393 1 26 PRO QG 1 86 MET QG 1.800 . 5.000 4.621 3.167 5.072 0.072 9 0 "[ . 1 . 2]" 1
394 1 27 ARG QB 1 29 PHE QD 1.800 . 5.000 4.346 3.759 4.843 . 0 0 "[ . 1 . 2]" 1
395 1 27 ARG QB 1 29 PHE QE 1.800 . 5.000 3.486 2.796 4.116 . 0 0 "[ . 1 . 2]" 1
396 1 27 ARG QB 1 29 PHE HZ 1.800 . 5.000 3.573 2.604 4.374 . 0 0 "[ . 1 . 2]" 1
397 1 27 ARG QD 1 29 PHE HZ 1.800 . 5.000 3.781 2.752 5.014 0.014 13 0 "[ . 1 . 2]" 1
398 1 28 ILE MG 1 30 ASN QD 1.800 . 5.000 3.785 2.241 4.526 . 0 0 "[ . 1 . 2]" 1
399 1 29 PHE QD 1 34 GLU QB 1.800 . 5.000 2.464 1.876 3.468 . 0 0 "[ . 1 . 2]" 1
400 1 29 PHE QE 1 38 PHE QB 1.800 . 5.000 2.445 2.056 2.800 . 0 0 "[ . 1 . 2]" 1
401 1 29 PHE QE 1 38 PHE QD 1.800 . 5.000 3.312 3.119 3.516 . 0 0 "[ . 1 . 2]" 1
402 1 29 PHE QE 1 75 PHE HZ 1.800 . 5.000 3.589 2.399 4.758 . 0 0 "[ . 1 . 2]" 1
403 1 29 PHE HZ 1 38 PHE QB 1.800 . 5.000 3.017 2.586 3.581 . 0 0 "[ . 1 . 2]" 1
404 1 29 PHE HZ 1 38 PHE QD 1.800 . 5.000 2.793 2.066 3.261 . 0 0 "[ . 1 . 2]" 1
405 1 32 VAL HB 1 62 LEU MD2 1.800 . 5.000 2.540 2.060 3.791 . 0 0 "[ . 1 . 2]" 1
406 1 32 VAL MG1 1 36 PHE QB 1.800 . 5.000 3.155 2.655 3.514 . 0 0 "[ . 1 . 2]" 1
407 1 32 VAL MG1 1 58 CYS QB 1.800 . 5.000 2.284 2.090 2.455 . 0 0 "[ . 1 . 2]" 1
408 1 32 VAL MG1 1 61 SER QB 1.800 . 5.000 1.849 1.757 2.630 0.043 2 0 "[ . 1 . 2]" 1
409 1 32 VAL MG1 1 62 LEU MD1 1.800 . 5.000 3.521 2.900 4.824 . 0 0 "[ . 1 . 2]" 1
410 1 33 TYR QB 1 62 LEU MD1 1.800 . 5.000 3.273 2.609 4.717 . 0 0 "[ . 1 . 2]" 1
411 1 33 TYR QB 1 62 LEU MD2 1.800 . 5.000 2.371 2.000 2.946 . 0 0 "[ . 1 . 2]" 1
412 1 33 TYR QD 1 62 LEU HG 1.800 . 5.000 4.655 4.175 5.019 0.019 19 0 "[ . 1 . 2]" 1
413 1 33 TYR QD 1 62 LEU MD1 1.800 . 5.000 2.312 1.792 3.320 0.008 14 0 "[ . 1 . 2]" 1
414 1 33 TYR QD 1 62 LEU MD2 1.800 . 5.000 2.900 2.074 3.271 . 0 0 "[ . 1 . 2]" 1
415 1 33 TYR QE 1 37 ASP QB 1.800 . 5.000 3.648 2.884 4.840 . 0 0 "[ . 1 . 2]" 1
416 1 33 TYR QE 1 62 LEU MD1 1.800 . 5.000 3.668 3.164 4.145 . 0 0 "[ . 1 . 2]" 1
417 1 33 TYR QE 1 62 LEU MD2 1.800 . 5.000 4.725 3.722 5.037 0.037 15 0 "[ . 1 . 2]" 1
418 1 35 ALA MB 1 75 PHE QD 1.800 . 5.000 3.978 3.450 4.766 . 0 0 "[ . 1 . 2]" 1
419 1 36 PHE QB 1 39 LEU MD1 1.800 . 5.000 3.906 3.514 4.348 . 0 0 "[ . 1 . 2]" 1
420 1 36 PHE QB 1 58 CYS QB 1.800 . 5.000 1.931 1.779 2.319 0.021 9 0 "[ . 1 . 2]" 1
421 1 36 PHE QD 1 39 LEU MD1 1.800 . 5.000 3.314 2.658 3.882 . 0 0 "[ . 1 . 2]" 1
422 1 36 PHE QD 1 55 LEU QB 1.800 . 5.000 3.760 3.408 4.958 . 0 0 "[ . 1 . 2]" 1
423 1 36 PHE QD 1 55 LEU MD1 1.800 . 5.000 4.558 2.527 5.008 0.008 7 0 "[ . 1 . 2]" 1
424 1 36 PHE QD 1 55 LEU MD2 1.800 . 5.000 3.427 2.622 4.894 . 0 0 "[ . 1 . 2]" 1
425 1 36 PHE QD 1 58 CYS QB 1.800 . 5.000 1.922 1.794 2.284 0.006 10 0 "[ . 1 . 2]" 1
426 1 36 PHE QD 1 59 ARG QB 1.800 . 5.000 3.980 3.225 5.021 0.021 12 0 "[ . 1 . 2]" 1
427 1 36 PHE QD 1 62 LEU MD1 1.800 . 5.000 3.357 2.643 3.986 . 0 0 "[ . 1 . 2]" 1
428 1 36 PHE QE 1 55 LEU QB 1.800 . 5.000 2.465 2.006 4.865 . 0 0 "[ . 1 . 2]" 1
429 1 36 PHE QE 1 55 LEU MD1 1.800 . 5.000 3.897 2.893 4.680 . 0 0 "[ . 1 . 2]" 1
430 1 36 PHE QE 1 55 LEU MD2 1.800 . 5.000 2.967 2.250 4.158 . 0 0 "[ . 1 . 2]" 1
431 1 36 PHE QE 1 59 ARG QB 1.800 . 5.000 3.018 1.861 4.677 . 0 0 "[ . 1 . 2]" 1
432 1 36 PHE QE 1 59 ARG QG 1.800 . 5.000 3.945 2.258 5.011 0.011 13 0 "[ . 1 . 2]" 1
433 1 36 PHE HZ 1 40 GLN QG 1.800 . 5.000 4.567 3.754 5.020 0.020 5 0 "[ . 1 . 2]" 1
434 1 38 PHE QD 1 43 TRP HE3 1.800 . 5.000 3.372 2.733 3.775 . 0 0 "[ . 1 . 2]" 1
435 1 38 PHE QD 1 75 PHE HZ 1.800 . 5.000 3.403 2.766 4.330 . 0 0 "[ . 1 . 2]" 1
436 1 38 PHE QE 1 43 TRP HE3 1.800 . 5.000 2.368 1.780 3.390 0.020 14 0 "[ . 1 . 2]" 1
437 1 38 PHE QE 1 43 TRP HZ3 1.800 . 5.000 2.762 1.805 4.159 . 0 0 "[ . 1 . 2]" 1
438 1 39 LEU QB 1 54 ALA MB 1.800 . 5.000 3.767 3.067 4.733 . 0 0 "[ . 1 . 2]" 1
439 1 39 LEU QB 1 55 LEU MD2 1.800 . 5.000 2.524 1.793 3.756 0.007 4 0 "[ . 1 . 2]" 1
440 1 39 LEU HG 1 75 PHE QE 1.800 . 5.000 3.156 2.662 3.897 . 0 0 "[ . 1 . 2]" 1
441 1 39 LEU MD2 1 43 TRP HH2 1.800 . 5.000 4.309 3.868 5.031 0.031 7 0 "[ . 1 . 2]" 1
442 1 39 LEU MD2 1 43 TRP HE3 1.800 . 5.000 2.589 2.261 3.351 . 0 0 "[ . 1 . 2]" 1
443 1 39 LEU MD2 1 43 TRP HZ3 1.800 . 5.000 3.407 2.859 4.547 . 0 0 "[ . 1 . 2]" 1
444 1 39 LEU MD1 1 54 ALA MB 1.800 . 5.000 2.116 1.837 2.722 . 0 0 "[ . 1 . 2]" 1
445 1 39 LEU MD2 1 54 ALA MB 1.800 . 5.000 2.820 2.283 3.597 . 0 0 "[ . 1 . 2]" 1
446 1 39 LEU MD1 1 55 LEU QB 1.800 . 5.000 3.963 2.467 4.500 . 0 0 "[ . 1 . 2]" 1
447 1 39 LEU MD1 1 58 CYS QB 1.800 . 5.000 3.325 2.720 3.656 . 0 0 "[ . 1 . 2]" 1
448 1 39 LEU MD1 1 75 PHE QD 1.800 . 5.000 3.279 2.958 3.612 . 0 0 "[ . 1 . 2]" 1
449 1 39 LEU MD2 1 75 PHE QD 1.800 . 5.000 4.046 3.785 4.617 . 0 0 "[ . 1 . 2]" 1
450 1 39 LEU MD1 1 75 PHE QE 1.800 . 5.000 1.881 1.778 2.194 0.022 7 0 "[ . 1 . 2]" 1
451 1 39 LEU MD2 1 75 PHE QE 1.800 . 5.000 2.218 1.783 3.065 0.017 17 0 "[ . 1 . 2]" 1
452 1 40 GLN QG 1 55 LEU MD1 1.800 . 5.000 3.246 2.123 4.520 . 0 0 "[ . 1 . 2]" 1
453 1 40 GLN QG 1 55 LEU MD2 1.800 . 5.000 2.494 1.849 4.228 . 0 0 "[ . 1 . 2]" 1
454 1 43 TRP HD1 1 45 ALA MB 1.800 . 5.000 3.702 2.267 4.749 . 0 0 "[ . 1 . 2]" 1
455 1 43 TRP HE1 1 45 ALA MB 1.800 . 5.000 2.704 1.861 3.999 . 0 0 "[ . 1 . 2]" 1
456 1 43 TRP HE1 1 51 HIS QB 1.800 . 5.000 3.817 2.738 5.011 0.011 13 0 "[ . 1 . 2]" 1
457 1 43 TRP HE1 1 82 ALA MB 1.800 . 5.000 3.977 2.034 5.019 0.019 19 0 "[ . 1 . 2]" 1
458 1 43 TRP HZ2 1 78 ALA MB 1.800 . 5.000 4.139 2.802 5.016 0.016 18 0 "[ . 1 . 2]" 1
459 1 43 TRP HZ2 1 82 ALA MB 1.800 . 5.000 2.891 2.085 4.399 . 0 0 "[ . 1 . 2]" 1
460 1 43 TRP HH2 1 75 PHE QE 1.800 . 5.000 4.338 3.243 5.036 0.036 18 0 "[ . 1 . 2]" 1
461 1 50 ALA MB 1 54 ALA MB 1.800 . 5.000 4.394 3.980 4.873 . 0 0 "[ . 1 . 2]" 1
462 1 50 ALA MB 1 81 GLN QB 1.800 . 5.000 3.168 2.101 4.568 . 0 0 "[ . 1 . 2]" 1
463 1 50 ALA MB 1 81 GLN QG 1.800 . 5.000 3.379 2.115 4.878 . 0 0 "[ . 1 . 2]" 1
464 1 50 ALA MB 1 81 GLN QE 1.800 . 5.000 3.273 1.942 5.006 0.006 12 0 "[ . 1 . 2]" 1
465 1 51 HIS QB 1 54 ALA MB 1.800 . 5.000 4.513 4.165 4.833 . 0 0 "[ . 1 . 2]" 1
466 1 51 HIS HE1 1 55 LEU MD1 1.800 . 5.000 3.629 2.053 4.987 . 0 0 "[ . 1 . 2]" 1
467 1 51 HIS HE1 1 55 LEU MD2 1.800 . 5.000 3.959 2.791 5.010 0.010 10 0 "[ . 1 . 2]" 1
468 1 53 GLN QG 1 57 LEU MD1 1.800 . 5.000 3.480 1.916 5.022 0.022 17 0 "[ . 1 . 2]" 1
469 1 54 ALA MB 1 57 LEU MD1 1.800 . 5.000 3.761 3.165 4.628 . 0 0 "[ . 1 . 2]" 1
470 1 54 ALA MB 1 75 PHE QD 1.800 . 5.000 3.060 1.997 3.987 . 0 0 "[ . 1 . 2]" 1
471 1 54 ALA MB 1 75 PHE QE 1.800 . 5.000 3.056 2.070 3.768 . 0 0 "[ . 1 . 2]" 1
472 1 54 ALA MB 1 75 PHE HZ 1.800 . 5.000 4.697 3.804 5.027 0.027 7 0 "[ . 1 . 2]" 1
473 1 57 LEU QB 1 71 ALA MB 1.800 . 5.000 2.994 2.096 3.941 . 0 0 "[ . 1 . 2]" 1
474 1 57 LEU QB 1 74 ALA MB 1.800 . 5.000 3.507 2.997 3.925 . 0 0 "[ . 1 . 2]" 1
475 1 57 LEU MD1 1 71 ALA MB 1.800 . 5.000 3.949 3.115 4.826 . 0 0 "[ . 1 . 2]" 1
476 1 57 LEU MD2 1 71 ALA MB 1.800 . 5.000 4.070 3.128 4.830 . 0 0 "[ . 1 . 2]" 1
477 1 57 LEU MD1 1 74 ALA MB 1.800 . 5.000 1.890 1.770 2.057 0.030 16 0 "[ . 1 . 2]" 1
478 1 58 CYS QB 1 61 SER QB 1.800 . 5.000 4.179 3.902 5.027 0.027 5 0 "[ . 1 . 2]" 1
479 1 60 ALA MB 1 65 ASP QB 1.800 . 5.000 2.685 1.868 4.955 . 0 0 "[ . 1 . 2]" 1
480 1 60 ALA MB 1 66 VAL MG2 1.800 . 5.000 2.051 1.827 2.445 . 0 0 "[ . 1 . 2]" 1
481 1 61 SER QB 1 66 VAL HB 1.800 . 5.000 2.904 1.876 3.514 . 0 0 "[ . 1 . 2]" 1
482 1 61 SER QB 1 66 VAL MG2 1.800 . 5.000 3.912 2.831 4.613 . 0 0 "[ . 1 . 2]" 1
483 1 61 SER QB 1 66 VAL MG1 1.800 . 5.000 3.461 2.292 4.207 . 0 0 "[ . 1 . 2]" 1
484 1 61 SER QB 1 71 ALA MB 1.800 . 5.000 3.234 2.395 3.818 . 0 0 "[ . 1 . 2]" 1
485 1 66 VAL MG1 1 70 ILE HB 1.800 . 5.000 2.102 1.780 3.079 0.020 16 0 "[ . 1 . 2]" 1
486 1 66 VAL MG2 1 70 ILE HB 1.800 . 5.000 4.108 3.314 4.888 . 0 0 "[ . 1 . 2]" 1
487 1 66 VAL MG1 1 71 ALA MB 1.800 . 5.000 1.948 1.768 2.686 0.032 20 0 "[ . 1 . 2]" 1
488 1 66 VAL MG2 1 71 ALA MB 1.800 . 5.000 3.591 3.026 4.038 . 0 0 "[ . 1 . 2]" 1
489 1 67 ALA MB 1 69 GLU QB 1.800 . 5.000 4.220 3.453 5.029 0.029 9 0 "[ . 1 . 2]" 1
490 1 67 ALA MB 1 70 ILE MD 1.800 . 5.000 2.873 1.873 4.753 . 0 0 "[ . 1 . 2]" 1
491 1 71 ALA MB 1 74 ALA MB 1.800 . 5.000 4.018 3.672 4.383 . 0 0 "[ . 1 . 2]" 1
492 1 80 ARG QB 1 85 LEU MD2 1.800 . 5.000 3.092 2.080 4.123 . 0 0 "[ . 1 . 2]" 1
493 1 91 GLU QB 1 93 PRO QD 1.800 . 5.000 4.144 2.986 5.019 0.019 7 0 "[ . 1 . 2]" 1
494 1 11 VAL H 1 11 VAL HB 1.800 . 3.500 2.856 2.526 3.589 0.089 9 0 "[ . 1 . 2]" 1
495 1 11 VAL H 1 11 VAL MG1 1.800 . 5.000 3.289 1.885 3.874 . 0 0 "[ . 1 . 2]" 1
496 1 11 VAL H 1 11 VAL MG2 1.800 . 5.000 2.662 1.784 3.948 0.016 12 0 "[ . 1 . 2]" 1
497 1 12 LYS H 1 12 LYS QG 1.800 . 5.000 3.168 2.024 3.996 . 0 0 "[ . 1 . 2]" 1
498 1 12 LYS H 1 12 LYS QD 1.800 . 5.000 3.926 1.789 4.484 0.011 9 0 "[ . 1 . 2]" 1
499 1 13 TRP HA 1 13 TRP HD1 1.800 . 5.000 2.368 2.018 2.668 . 0 0 "[ . 1 . 2]" 1
500 1 15 LYS H 1 15 LYS QG 1.800 . 5.000 3.300 2.522 4.424 . 0 0 "[ . 1 . 2]" 1
501 1 15 LYS QB 1 15 LYS QD 1.800 . 5.000 2.254 2.110 2.859 . 0 0 "[ . 1 . 2]" 1
502 1 17 VAL H 1 17 VAL MG1 1.800 . 5.000 3.855 3.807 3.937 . 0 0 "[ . 1 . 2]" 1
503 1 17 VAL H 1 17 VAL MG2 1.800 . 5.000 2.552 2.409 2.972 . 0 0 "[ . 1 . 2]" 1
504 1 18 THR H 1 18 THR MG 1.800 . 5.000 3.767 2.985 3.874 . 0 0 "[ . 1 . 2]" 1
505 1 19 ILE H 1 19 ILE QG 1.800 . 5.000 3.428 2.539 4.073 . 0 0 "[ . 1 . 2]" 1
506 1 19 ILE H 1 19 ILE MD 1.800 . 5.000 4.190 3.788 4.632 . 0 0 "[ . 1 . 2]" 1
507 1 19 ILE HA 1 19 ILE MD 1.800 . 5.000 2.795 1.880 3.855 . 0 0 "[ . 1 . 2]" 1
508 1 21 LEU H 1 21 LEU HG 1.800 . 5.000 2.899 2.150 4.256 . 0 0 "[ . 1 . 2]" 1
509 1 21 LEU H 1 21 LEU MD1 1.800 . 5.000 3.166 1.937 3.830 . 0 0 "[ . 1 . 2]" 1
510 1 21 LEU H 1 21 LEU MD2 1.800 . 5.000 3.590 3.088 4.308 . 0 0 "[ . 1 . 2]" 1
511 1 21 LEU HA 1 21 LEU MD2 1.800 . 5.000 2.617 1.888 3.772 . 0 0 "[ . 1 . 2]" 1
512 1 21 LEU QB 1 21 LEU MD1 1.800 . 5.000 2.162 2.088 2.317 . 0 0 "[ . 1 . 2]" 1
513 1 21 LEU QB 1 21 LEU MD2 1.800 . 5.000 2.235 2.074 2.368 . 0 0 "[ . 1 . 2]" 1
514 1 22 GLN H 1 22 GLN QG 1.800 . 5.000 3.154 1.801 4.054 . 0 0 "[ . 1 . 2]" 1
515 1 23 ASN H 1 23 ASN QD 1.800 . 5.000 3.979 3.482 4.687 . 0 0 "[ . 1 . 2]" 1
516 1 27 ARG H 1 27 ARG QG 1.800 . 5.000 3.230 2.568 4.045 . 0 0 "[ . 1 . 2]" 1
517 1 28 ILE H 1 28 ILE HB 1.800 . 3.500 2.569 2.505 2.745 . 0 0 "[ . 1 . 2]" 1
518 1 28 ILE H 1 28 ILE QG 1.800 . 5.000 2.371 2.147 2.793 . 0 0 "[ . 1 . 2]" 1
519 1 28 ILE H 1 28 ILE MD 1.800 . 5.000 3.762 3.631 4.090 . 0 0 "[ . 1 . 2]" 1
520 1 28 ILE QG 1 28 ILE MG 1.800 . 5.000 2.322 2.301 2.347 . 0 0 "[ . 1 . 2]" 1
521 1 29 PHE H 1 29 PHE QD 1.800 . 5.000 2.909 2.320 3.329 . 0 0 "[ . 1 . 2]" 1
522 1 32 VAL H 1 32 VAL MG1 1.800 . 5.000 3.770 3.755 3.785 . 0 0 "[ . 1 . 2]" 1
523 1 32 VAL H 1 32 VAL MG2 1.800 . 5.000 1.997 1.845 2.143 . 0 0 "[ . 1 . 2]" 1
524 1 33 TYR H 1 33 TYR QD 1.800 . 5.000 4.204 4.154 4.241 . 0 0 "[ . 1 . 2]" 1
525 1 33 TYR HA 1 33 TYR QD 1.800 . 5.000 2.771 2.485 3.003 . 0 0 "[ . 1 . 2]" 1
526 1 34 GLU H 1 34 GLU QG 1.800 . 5.000 2.553 1.880 3.961 . 0 0 "[ . 1 . 2]" 1
527 1 36 PHE H 1 36 PHE QD 1.800 . 5.000 4.178 4.163 4.191 . 0 0 "[ . 1 . 2]" 1
528 1 36 PHE HA 1 36 PHE QD 1.800 . 5.000 2.645 2.384 2.854 . 0 0 "[ . 1 . 2]" 1
529 1 37 ASP H 1 37 ASP QB 1.800 . 3.500 2.245 2.208 2.277 . 0 0 "[ . 1 . 2]" 1
530 1 38 PHE H 1 38 PHE QD 1.800 . 5.000 4.165 4.121 4.198 . 0 0 "[ . 1 . 2]" 1
531 1 38 PHE HA 1 38 PHE QD 1.800 . 5.000 2.621 2.420 2.844 . 0 0 "[ . 1 . 2]" 1
532 1 39 LEU H 1 39 LEU HG 1.800 . 5.000 2.238 2.098 2.342 . 0 0 "[ . 1 . 2]" 1
533 1 39 LEU H 1 39 LEU MD1 1.800 . 5.000 3.564 3.444 3.633 . 0 0 "[ . 1 . 2]" 1
534 1 39 LEU H 1 39 LEU MD2 1.800 . 5.000 3.315 3.143 3.514 . 0 0 "[ . 1 . 2]" 1
535 1 39 LEU HA 1 39 LEU MD2 1.800 . 5.000 2.024 1.955 2.107 . 0 0 "[ . 1 . 2]" 1
536 1 39 LEU QB 1 39 LEU MD2 1.800 . 5.000 2.293 2.249 2.329 . 0 0 "[ . 1 . 2]" 1
537 1 39 LEU QB 1 39 LEU MD1 1.800 . 5.000 2.090 2.082 2.100 . 0 0 "[ . 1 . 2]" 1
538 1 41 HIS H 1 41 HIS HD2 1.800 . 5.000 3.031 2.477 3.954 . 0 0 "[ . 1 . 2]" 1
539 1 42 GLU H 1 42 GLU QG 1.800 . 5.000 3.577 2.585 4.243 . 0 0 "[ . 1 . 2]" 1
540 1 43 TRP HA 1 43 TRP HE3 1.800 . 5.000 2.560 2.091 3.125 . 0 0 "[ . 1 . 2]" 1
541 1 43 TRP H 1 43 TRP HD1 1.800 . 5.000 4.856 4.366 5.016 0.016 20 0 "[ . 1 . 2]" 1
542 1 48 ASP H 1 48 ASP HA 1.800 . 2.900 2.559 2.242 2.927 0.027 7 0 "[ . 1 . 2]" 1
543 1 52 GLU H 1 52 GLU QB 1.800 . 3.500 2.329 2.174 2.525 . 0 0 "[ . 1 . 2]" 1
544 1 52 GLU H 1 52 GLU QG 1.800 . 5.000 3.103 2.012 4.040 . 0 0 "[ . 1 . 2]" 1
545 1 53 GLN H 1 53 GLN QG 1.800 . 5.000 3.116 2.062 4.051 . 0 0 "[ . 1 . 2]" 1
546 1 53 GLN H 1 53 GLN QE 1.800 . 5.000 4.719 3.916 5.022 0.022 2 0 "[ . 1 . 2]" 1
547 1 55 LEU H 1 55 LEU QB 1.800 . 3.900 2.356 2.199 2.482 . 0 0 "[ . 1 . 2]" 1
548 1 55 LEU H 1 55 LEU HG 1.800 . 5.000 2.909 2.208 4.476 . 0 0 "[ . 1 . 2]" 1
549 1 55 LEU H 1 55 LEU MD1 1.800 . 5.000 3.220 2.066 4.068 . 0 0 "[ . 1 . 2]" 1
550 1 55 LEU H 1 55 LEU MD2 1.800 . 5.000 3.593 3.165 4.226 . 0 0 "[ . 1 . 2]" 1
551 1 55 LEU HA 1 55 LEU MD2 1.800 . 5.000 2.628 1.968 3.892 . 0 0 "[ . 1 . 2]" 1
552 1 55 LEU QB 1 55 LEU MD2 1.800 . 5.000 2.227 2.087 2.334 . 0 0 "[ . 1 . 2]" 1
553 1 55 LEU QB 1 55 LEU MD1 1.800 . 5.000 2.163 2.083 2.350 . 0 0 "[ . 1 . 2]" 1
554 1 56 ARG H 1 56 ARG QB 1.800 . 3.900 2.277 2.188 2.493 . 0 0 "[ . 1 . 2]" 1
555 1 56 ARG H 1 56 ARG QG 1.800 . 5.000 3.454 2.112 4.009 . 0 0 "[ . 1 . 2]" 1
556 1 57 LEU H 1 57 LEU HG 1.800 . 5.000 2.240 2.114 2.482 . 0 0 "[ . 1 . 2]" 1
557 1 57 LEU H 1 57 LEU MD1 1.800 . 5.000 3.522 3.390 3.701 . 0 0 "[ . 1 . 2]" 1
558 1 57 LEU H 1 57 LEU MD2 1.800 . 5.000 3.376 3.264 3.469 . 0 0 "[ . 1 . 2]" 1
559 1 57 LEU HA 1 57 LEU MD1 1.800 . 5.000 3.871 3.814 3.907 . 0 0 "[ . 1 . 2]" 1
560 1 57 LEU HA 1 57 LEU MD2 1.800 . 5.000 2.044 1.937 2.133 . 0 0 "[ . 1 . 2]" 1
561 1 57 LEU QB 1 57 LEU MD1 1.800 . 5.000 2.091 2.080 2.106 . 0 0 "[ . 1 . 2]" 1
562 1 57 LEU QB 1 57 LEU MD2 1.800 . 5.000 2.278 2.241 2.319 . 0 0 "[ . 1 . 2]" 1
563 1 62 LEU H 1 62 LEU HG 1.800 . 5.000 2.387 2.062 2.665 . 0 0 "[ . 1 . 2]" 1
564 1 62 LEU H 1 62 LEU MD1 1.800 . 5.000 3.613 3.519 3.750 . 0 0 "[ . 1 . 2]" 1
565 1 62 LEU H 1 62 LEU MD2 1.800 . 5.000 3.444 2.947 3.769 . 0 0 "[ . 1 . 2]" 1
566 1 62 LEU HA 1 62 LEU MD1 1.800 . 5.000 3.869 3.819 3.916 . 0 0 "[ . 1 . 2]" 1
567 1 62 LEU QB 1 62 LEU MD1 1.800 . 5.000 2.094 2.090 2.103 . 0 0 "[ . 1 . 2]" 1
568 1 62 LEU QB 1 62 LEU MD2 1.800 . 5.000 2.294 2.249 2.348 . 0 0 "[ . 1 . 2]" 1
569 1 63 MET H 1 63 MET QG 1.800 . 5.000 2.705 2.214 4.056 . 0 0 "[ . 1 . 2]" 1
570 1 63 MET QB 1 63 MET ME 1.800 . 5.000 2.229 1.931 3.584 . 0 0 "[ . 1 . 2]" 1
571 1 63 MET ME 1 63 MET QG 1.800 . 5.000 2.412 2.225 2.468 . 0 0 "[ . 1 . 2]" 1
572 1 66 VAL H 1 66 VAL MG1 1.800 . 5.000 3.827 3.764 3.903 . 0 0 "[ . 1 . 2]" 1
573 1 66 VAL H 1 66 VAL MG2 1.800 . 5.000 2.617 2.252 3.253 . 0 0 "[ . 1 . 2]" 1
574 1 70 ILE H 1 70 ILE HB 1.800 . 3.500 2.575 2.473 2.636 . 0 0 "[ . 1 . 2]" 1
575 1 70 ILE H 1 70 ILE QG 1.800 . 5.000 2.080 1.893 3.173 . 0 0 "[ . 1 . 2]" 1
576 1 70 ILE H 1 70 ILE MD 1.800 . 5.000 3.479 1.774 3.699 0.026 15 0 "[ . 1 . 2]" 1
577 1 70 ILE HA 1 70 ILE MD 1.800 . 5.000 3.791 3.001 3.864 . 0 0 "[ . 1 . 2]" 1
578 1 70 ILE QG 1 70 ILE MG 1.800 . 5.000 2.320 2.084 2.353 . 0 0 "[ . 1 . 2]" 1
579 1 72 ARG H 1 72 ARG QB 1.800 . 3.500 2.241 2.127 2.510 . 0 0 "[ . 1 . 2]" 1
580 1 73 THR H 1 73 THR HB 1.800 . 3.500 2.734 2.605 3.558 0.058 18 0 "[ . 1 . 2]" 1
581 1 73 THR H 1 73 THR MG 1.800 . 5.000 3.623 2.453 3.777 . 0 0 "[ . 1 . 2]" 1
582 1 75 PHE HA 1 75 PHE QD 1.800 . 5.000 2.830 2.667 3.064 . 0 0 "[ . 1 . 2]" 1
583 1 76 VAL H 1 76 VAL HB 1.800 . 3.500 2.523 2.453 2.569 . 0 0 "[ . 1 . 2]" 1
584 1 76 VAL H 1 76 VAL MG1 1.800 . 5.000 3.770 3.761 3.778 . 0 0 "[ . 1 . 2]" 1
585 1 76 VAL H 1 76 VAL MG2 1.800 . 5.000 2.107 2.040 2.236 . 0 0 "[ . 1 . 2]" 1
586 1 81 GLN H 1 81 GLN QB 1.800 . 3.500 2.320 2.221 2.489 . 0 0 "[ . 1 . 2]" 1
587 1 81 GLN H 1 81 GLN QG 1.800 . 5.000 3.241 2.118 4.064 . 0 0 "[ . 1 . 2]" 1
588 1 83 HIS H 1 83 HIS HD2 1.800 . 5.000 3.946 3.098 5.059 0.059 4 0 "[ . 1 . 2]" 1
589 1 85 LEU H 1 85 LEU MD1 1.800 . 5.000 3.832 3.564 4.157 . 0 0 "[ . 1 . 2]" 1
590 1 85 LEU HA 1 85 LEU MD1 1.800 . 5.000 3.769 1.904 4.116 . 0 0 "[ . 1 . 2]" 1
591 1 85 LEU QB 1 85 LEU MD2 1.800 . 5.000 2.292 2.252 2.340 . 0 0 "[ . 1 . 2]" 1
592 1 86 MET H 1 86 MET QG 1.800 . 5.000 3.494 2.101 4.234 . 0 0 "[ . 1 . 2]" 1
593 1 15 LYS QB 1 16 PRO QD 1.800 . 5.000 3.122 1.769 3.721 0.031 18 0 "[ . 1 . 2]" 1
594 1 15 LYS QG 1 16 PRO QD 1.800 . 5.000 3.674 2.901 4.326 . 0 0 "[ . 1 . 2]" 1
595 1 25 ALA MB 1 26 PRO QD 1.800 . 5.000 3.063 2.028 3.341 . 0 0 "[ . 1 . 2]" 1
596 1 33 TYR QD 1 34 GLU HA 1.800 . 5.000 3.490 3.199 3.899 . 0 0 "[ . 1 . 2]" 1
597 1 33 TYR QD 1 34 GLU QB 1.800 . 5.000 4.651 3.834 4.989 . 0 0 "[ . 1 . 2]" 1
598 1 33 TYR QD 1 34 GLU QG 1.800 . 5.000 3.811 2.887 5.042 0.042 2 0 "[ . 1 . 2]" 1
599 1 33 TYR QE 1 34 GLU HA 1.800 . 5.000 4.855 4.397 5.017 0.017 7 0 "[ . 1 . 2]" 1
600 1 40 GLN QB 1 41 HIS HD2 1.800 . 5.000 3.086 2.327 4.789 . 0 0 "[ . 1 . 2]" 1
601 1 41 HIS QB 1 42 GLU QG 1.800 . 5.000 3.672 2.100 5.056 0.056 6 0 "[ . 1 . 2]" 1
602 1 54 ALA MB 1 55 LEU QB 1.800 . 5.000 4.207 3.761 4.377 . 0 0 "[ . 1 . 2]" 1
603 1 55 LEU HA 1 56 ARG HA 1.800 . 5.000 4.803 4.700 4.908 . 0 0 "[ . 1 . 2]" 1
604 1 57 LEU QB 1 58 CYS HA 1.800 . 5.000 3.856 3.731 3.997 . 0 0 "[ . 1 . 2]" 1
605 1 58 CYS QB 1 59 ARG QB 1.800 . 5.000 3.980 3.788 4.423 . 0 0 "[ . 1 . 2]" 1
606 1 65 ASP QB 1 66 VAL MG2 1.800 . 5.000 2.971 2.516 4.328 . 0 0 "[ . 1 . 2]" 1
607 1 70 ILE MG 1 71 ALA MB 1.800 . 5.000 4.023 3.786 4.250 . 0 0 "[ . 1 . 2]" 1
608 1 76 VAL MG1 1 77 ALA HA 1.800 . 5.000 3.514 3.371 3.697 . 0 0 "[ . 1 . 2]" 1
609 1 84 CYS QB 1 85 LEU MD2 1.800 . 5.000 4.545 4.031 4.956 . 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 44
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 14.000
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0046
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0146
_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 13 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.026 0.014 6 0 "[ . 1 . 2]"
1 19 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PHE 0.026 0.014 6 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 TYR 0.007 0.007 7 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASP 0.007 0.007 7 0 "[ . 1 . 2]"
1 38 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ASP 0.142 0.049 17 0 "[ . 1 . 2]"
1 49 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 HIS 0.173 0.050 1 0 "[ . 1 . 2]"
1 52 GLU 0.142 0.049 17 0 "[ . 1 . 2]"
1 53 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.021 0.017 18 0 "[ . 1 . 2]"
1 55 LEU 0.173 0.050 1 0 "[ . 1 . 2]"
1 56 ARG 0.010 0.005 10 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 CYS 0.021 0.017 18 0 "[ . 1 . 2]"
1 59 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ALA 0.010 0.005 10 0 "[ . 1 . 2]"
1 68 GLY 0.065 0.019 17 0 "[ . 1 . 2]"
1 69 GLU 0.056 0.019 3 0 "[ . 1 . 2]"
1 70 ILE 0.109 0.056 16 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.108 0.019 17 0 "[ . 1 . 2]"
1 73 THR 0.096 0.019 3 0 "[ . 1 . 2]"
1 74 ALA 0.116 0.056 16 0 "[ . 1 . 2]"
1 75 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 VAL 0.043 0.018 5 0 "[ . 1 . 2]"
1 77 ALA 0.040 0.018 16 0 "[ . 1 . 2]"
1 78 ALA 0.007 0.007 15 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 13 TRP HE1 1 68 GLY O 1.600 . 2.300 1.957 1.747 2.270 . 0 0 "[ . 1 . 2]" 2
2 1 13 TRP NE1 1 68 GLY O 2.600 2.600 3.300 2.851 2.716 3.041 . 0 0 "[ . 1 . 2]" 2
3 1 17 VAL O 1 29 PHE H 1.600 . 2.300 1.918 1.719 2.314 0.014 6 0 "[ . 1 . 2]" 2
4 1 17 VAL O 1 29 PHE N 2.600 2.600 3.300 2.875 2.693 3.286 . 0 0 "[ . 1 . 2]" 2
5 1 19 ILE O 1 27 ARG H 1.600 . 2.300 1.848 1.704 2.171 . 0 0 "[ . 1 . 2]" 2
6 1 19 ILE O 1 27 ARG N 2.600 2.600 3.300 2.777 2.681 2.998 . 0 0 "[ . 1 . 2]" 2
7 1 19 ILE H 1 27 ARG O 1.600 . 2.300 1.906 1.778 2.160 . 0 0 "[ . 1 . 2]" 2
8 1 19 ILE N 1 27 ARG O 2.600 2.600 3.300 2.860 2.754 3.127 . 0 0 "[ . 1 . 2]" 2
9 1 32 VAL O 1 36 PHE H 1.600 . 2.300 1.960 1.779 2.185 . 0 0 "[ . 1 . 2]" 2
10 1 32 VAL O 1 36 PHE N 2.600 2.600 3.300 2.915 2.745 3.134 . 0 0 "[ . 1 . 2]" 2
11 1 33 TYR O 1 37 ASP H 1.600 . 2.300 1.935 1.747 2.307 0.007 7 0 "[ . 1 . 2]" 2
12 1 33 TYR O 1 37 ASP N 2.600 2.600 3.300 2.882 2.715 3.267 . 0 0 "[ . 1 . 2]" 2
13 1 34 GLU O 1 38 PHE H 1.600 . 2.300 2.005 1.827 2.299 . 0 0 "[ . 1 . 2]" 2
14 1 34 GLU O 1 38 PHE N 2.600 2.600 3.300 2.934 2.766 3.225 . 0 0 "[ . 1 . 2]" 2
15 1 35 ALA O 1 39 LEU H 1.600 . 2.300 2.005 1.877 2.297 . 0 0 "[ . 1 . 2]" 2
16 1 35 ALA O 1 39 LEU N 2.600 2.600 3.300 2.932 2.797 3.205 . 0 0 "[ . 1 . 2]" 2
17 1 48 ASP O 1 52 GLU H 1.600 . 2.300 2.054 1.664 2.349 0.049 17 0 "[ . 1 . 2]" 2
18 1 48 ASP O 1 52 GLU N 2.600 2.600 3.300 2.980 2.609 3.293 . 0 0 "[ . 1 . 2]" 2
19 1 49 ARG O 1 53 GLN H 1.600 . 2.300 1.878 1.700 2.256 . 0 0 "[ . 1 . 2]" 2
20 1 49 ARG O 1 53 GLN N 2.600 2.600 3.300 2.821 2.641 3.177 . 0 0 "[ . 1 . 2]" 2
21 1 51 HIS O 1 55 LEU H 1.600 . 2.300 2.224 1.937 2.350 0.050 1 0 "[ . 1 . 2]" 2
22 1 51 HIS O 1 55 LEU N 2.600 2.600 3.300 3.159 2.885 3.308 0.008 1 0 "[ . 1 . 2]" 2
23 1 52 GLU O 1 56 ARG H 1.600 . 2.300 1.933 1.691 2.252 . 0 0 "[ . 1 . 2]" 2
24 1 52 GLU O 1 56 ARG N 2.600 2.600 3.300 2.879 2.657 3.200 . 0 0 "[ . 1 . 2]" 2
25 1 53 GLN O 1 57 LEU H 1.600 . 2.300 1.919 1.753 2.232 . 0 0 "[ . 1 . 2]" 2
26 1 53 GLN O 1 57 LEU N 2.600 2.600 3.300 2.868 2.729 3.142 . 0 0 "[ . 1 . 2]" 2
27 1 54 ALA O 1 58 CYS H 1.600 . 2.300 2.154 1.901 2.317 0.017 18 0 "[ . 1 . 2]" 2
28 1 54 ALA O 1 58 CYS N 2.600 2.600 3.300 3.101 2.808 3.270 . 0 0 "[ . 1 . 2]" 2
29 1 55 LEU O 1 59 ARG H 1.600 . 2.300 1.936 1.731 2.213 . 0 0 "[ . 1 . 2]" 2
30 1 55 LEU O 1 59 ARG N 2.600 2.600 3.300 2.861 2.687 3.164 . 0 0 "[ . 1 . 2]" 2
31 1 56 ARG O 1 60 ALA H 1.600 . 2.300 1.953 1.749 2.305 0.005 10 0 "[ . 1 . 2]" 2
32 1 56 ARG O 1 60 ALA N 2.600 2.600 3.300 2.886 2.719 3.216 . 0 0 "[ . 1 . 2]" 2
33 1 68 GLY O 1 72 ARG H 1.600 . 2.300 2.119 1.883 2.319 0.019 17 0 "[ . 1 . 2]" 2
34 1 68 GLY O 1 72 ARG N 2.600 2.600 3.300 3.014 2.768 3.235 . 0 0 "[ . 1 . 2]" 2
35 1 69 GLU O 1 73 THR H 1.600 . 2.300 2.033 1.772 2.319 0.019 3 0 "[ . 1 . 2]" 2
36 1 69 GLU O 1 73 THR N 2.600 2.600 3.300 2.997 2.726 3.286 . 0 0 "[ . 1 . 2]" 2
37 1 70 ILE O 1 74 ALA H 1.600 . 2.300 2.184 1.874 2.356 0.056 16 0 "[ . 1 . 2]" 2
38 1 70 ILE O 1 74 ALA N 2.600 2.600 3.300 3.125 2.834 3.310 0.010 16 0 "[ . 1 . 2]" 2
39 1 71 ALA O 1 75 PHE H 1.600 . 2.300 1.951 1.832 2.210 . 0 0 "[ . 1 . 2]" 2
40 1 71 ALA O 1 75 PHE N 2.600 2.600 3.300 2.805 2.702 3.030 . 0 0 "[ . 1 . 2]" 2
41 1 72 ARG O 1 76 VAL H 1.600 . 2.300 2.129 1.909 2.318 0.018 5 0 "[ . 1 . 2]" 2
42 1 72 ARG O 1 76 VAL N 2.600 2.600 3.300 3.056 2.849 3.256 . 0 0 "[ . 1 . 2]" 2
43 1 73 THR O 1 77 ALA H 1.600 . 2.300 2.235 2.050 2.318 0.018 16 0 "[ . 1 . 2]" 2
44 1 74 ALA O 1 78 ALA H 1.600 . 2.300 2.123 1.872 2.307 0.007 15 0 "[ . 1 . 2]" 2
stop_
save_
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