NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572889 |
2m5f   |
19052 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m5f
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 443
_Distance_constraint_stats_list.Viol_count 2116
_Distance_constraint_stats_list.Viol_total 2246.083
_Distance_constraint_stats_list.Viol_max 0.220
_Distance_constraint_stats_list.Viol_rms 0.0297
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0127
_Distance_constraint_stats_list.Viol_average_violations_only 0.0531
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLN 0.138 0.031 15 0 "[ . 1 . 2]"
1 3 PRO 2.091 0.107 7 0 "[ . 1 . 2]"
1 4 LYS 2.851 0.107 7 0 "[ . 1 . 2]"
1 5 CYS 0.454 0.068 20 0 "[ . 1 . 2]"
1 6 ASN 0.494 0.047 6 0 "[ . 1 . 2]"
1 7 PRO 3.321 0.123 14 0 "[ . 1 . 2]"
1 8 ASN 4.901 0.123 14 0 "[ . 1 . 2]"
1 9 LEU 4.918 0.112 19 0 "[ . 1 . 2]"
1 10 HIS 0.504 0.038 5 0 "[ . 1 . 2]"
1 11 TYR 4.120 0.107 10 0 "[ . 1 . 2]"
1 12 TRP 6.791 0.162 18 0 "[ . 1 . 2]"
1 13 THR 3.796 0.162 18 0 "[ . 1 . 2]"
1 14 THR 2.158 0.129 16 0 "[ . 1 . 2]"
1 15 GLN 1.266 0.057 2 0 "[ . 1 . 2]"
1 16 ASP 3.079 0.078 6 0 "[ . 1 . 2]"
1 17 GLU 3.668 0.107 18 0 "[ . 1 . 2]"
1 18 GLY 2.212 0.107 18 0 "[ . 1 . 2]"
1 19 ALA 4.062 0.094 17 0 "[ . 1 . 2]"
1 20 ALA 3.704 0.099 13 0 "[ . 1 . 2]"
1 21 ILE 9.987 0.161 9 0 "[ . 1 . 2]"
1 22 GLY 3.476 0.089 16 0 "[ . 1 . 2]"
1 23 ALA 0.393 0.026 12 0 "[ . 1 . 2]"
1 24 ALA 3.364 0.136 17 0 "[ . 1 . 2]"
1 25 TRP 12.444 0.151 17 0 "[ . 1 . 2]"
1 26 ILE 14.617 0.134 13 0 "[ . 1 . 2]"
1 27 PRO 6.347 0.134 10 0 "[ . 1 . 2]"
1 28 TYR 4.144 0.151 17 0 "[ . 1 . 2]"
1 29 PHE 1.035 0.072 7 0 "[ . 1 . 2]"
1 30 GLY 1.035 0.082 17 0 "[ . 1 . 2]"
1 31 PRO 6.553 0.186 9 0 "[ . 1 . 2]"
1 32 ALA 12.563 0.220 9 0 "[ . 1 . 2]"
1 33 ALA 10.620 0.220 9 0 "[ . 1 . 2]"
1 34 GLU 5.511 0.135 13 0 "[ . 1 . 2]"
1 35 GLY 3.650 0.135 13 0 "[ . 1 . 2]"
1 36 ILE 9.751 0.125 9 0 "[ . 1 . 2]"
1 37 TYR 3.621 0.145 12 0 "[ . 1 . 2]"
1 38 ALA 2.063 0.118 7 0 "[ . 1 . 2]"
1 39 GLU 5.466 0.181 10 0 "[ . 1 . 2]"
1 40 GLY 4.165 0.181 10 0 "[ . 1 . 2]"
1 41 LEU 1.247 0.090 7 0 "[ . 1 . 2]"
1 42 MET 0.266 0.090 7 0 "[ . 1 . 2]"
1 43 HIS 1.150 0.097 10 0 "[ . 1 . 2]"
1 44 ASN 1.283 0.059 7 0 "[ . 1 . 2]"
1 45 GLN 0.151 0.044 10 0 "[ . 1 . 2]"
1 46 ASP 0.616 0.051 16 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 2.041 0.106 15 0 "[ . 1 . 2]"
1 49 ILE 3.303 0.117 20 0 "[ . 1 . 2]"
1 50 CYS 0.618 0.116 19 0 "[ . 1 . 2]"
1 51 GLY 2.077 0.131 20 0 "[ . 1 . 2]"
1 52 LEU 6.653 0.139 20 0 "[ . 1 . 2]"
1 53 ARG 3.383 0.138 3 0 "[ . 1 . 2]"
1 54 GLN 3.527 0.112 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 1 ALA HA 1 2 GLN HA 1.800 . 4.630 4.428 4.297 4.629 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN HA 1 3 PRO QG 1.800 . 4.290 3.823 3.632 3.960 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HA 1 4 LYS H 1.800 . 4.370 4.013 3.812 4.154 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLN HA 1 53 ARG QD 1.800 . 4.820 4.743 4.169 4.851 0.031 15 0 "[ . 1 . 2]" 1
5 1 3 PRO HA 1 4 LYS H 1.800 . 3.040 3.085 3.057 3.147 0.107 7 0 "[ . 1 . 2]" 1
6 1 3 PRO HA 1 4 LYS QB 1.800 . 4.560 3.930 3.859 4.026 . 0 0 "[ . 1 . 2]" 1
7 1 3 PRO HA 1 4 LYS QG 1.800 . 4.980 4.304 3.900 4.840 . 0 0 "[ . 1 . 2]" 1
8 1 3 PRO QB 1 4 LYS H 1.800 . 4.390 3.901 3.845 3.938 . 0 0 "[ . 1 . 2]" 1
9 1 3 PRO QB 1 5 CYS H 1.800 . 5.080 4.600 3.723 5.103 0.023 20 0 "[ . 1 . 2]" 1
10 1 3 PRO QD 1 4 LYS QB 1.800 . 4.860 4.905 4.893 4.926 0.066 5 0 "[ . 1 . 2]" 1
11 1 3 PRO QD 1 4 LYS QG 1.800 . 5.080 5.085 5.023 5.098 0.018 9 0 "[ . 1 . 2]" 1
12 1 3 PRO QD 1 50 CYS QB 1.800 . 4.980 3.465 2.051 4.835 . 0 0 "[ . 1 . 2]" 1
13 1 3 PRO QD 1 51 GLY H 1.800 . 4.510 4.306 3.607 4.540 0.030 5 0 "[ . 1 . 2]" 1
14 1 3 PRO QD 1 53 ARG QD 1.800 . 4.460 4.112 2.992 4.478 0.018 5 0 "[ . 1 . 2]" 1
15 1 4 LYS H 1 4 LYS HB2 1.800 . 4.030 3.311 3.080 3.453 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS QB 1.800 . 3.260 3.169 2.984 3.275 0.015 6 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS HB3 1.800 . 4.030 4.055 3.996 4.073 0.043 5 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS QG 1.800 . 4.010 2.913 2.744 3.052 . 0 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 6 ASN H 1.800 . 5.040 4.924 4.535 5.072 0.032 6 0 "[ . 1 . 2]" 1
20 1 4 LYS HA 1 5 CYS H 1.800 . 3.220 2.577 2.367 2.934 . 0 0 "[ . 1 . 2]" 1
21 1 4 LYS HA 1 6 ASN H 1.800 . 4.920 3.537 3.187 4.027 . 0 0 "[ . 1 . 2]" 1
22 1 4 LYS QB 1 5 CYS H 1.800 . 4.020 3.882 3.763 3.925 . 0 0 "[ . 1 . 2]" 1
23 1 4 LYS QB 1 5 CYS QB 1.800 . 4.670 4.537 4.137 4.738 0.068 20 0 "[ . 1 . 2]" 1
24 1 4 LYS QD 1 4 LYS QG 1.800 . 2.820 2.053 2.019 2.092 . 0 0 "[ . 1 . 2]" 1
25 1 4 LYS QG 1 5 CYS H 1.800 . 4.810 4.499 4.347 4.770 . 0 0 "[ . 1 . 2]" 1
26 1 5 CYS H 1 5 CYS QB 1.800 . 3.510 3.029 2.376 3.402 . 0 0 "[ . 1 . 2]" 1
27 1 5 CYS H 1 6 ASN H 1.800 . 4.540 2.396 1.870 2.831 . 0 0 "[ . 1 . 2]" 1
28 1 5 CYS H 1 6 ASN QB 1.800 . 4.610 4.066 3.634 4.596 . 0 0 "[ . 1 . 2]" 1
29 1 5 CYS H 1 6 ASN QD 1.800 . 4.400 3.385 2.250 4.405 0.005 12 0 "[ . 1 . 2]" 1
30 1 5 CYS H 1 49 ILE HA 1.800 . 4.860 4.850 4.617 4.888 0.028 17 0 "[ . 1 . 2]" 1
31 1 5 CYS HA 1 6 ASN H 1.800 . 3.390 2.875 2.688 3.299 . 0 0 "[ . 1 . 2]" 1
32 1 5 CYS HA 1 6 ASN HA 1.800 . 5.060 4.557 4.440 4.787 . 0 0 "[ . 1 . 2]" 1
33 1 5 CYS QB 1 6 ASN H 1.800 . 4.200 3.966 3.801 4.041 . 0 0 "[ . 1 . 2]" 1
34 1 6 ASN H 1 6 ASN HB2 1.800 . 4.070 3.206 2.467 3.744 . 0 0 "[ . 1 . 2]" 1
35 1 6 ASN H 1 6 ASN QB 1.800 . 3.560 2.736 2.426 2.935 . 0 0 "[ . 1 . 2]" 1
36 1 6 ASN H 1 6 ASN HB3 1.800 . 4.070 3.305 2.708 3.782 . 0 0 "[ . 1 . 2]" 1
37 1 6 ASN H 1 7 PRO QD 1.800 . 4.690 4.400 4.289 4.459 . 0 0 "[ . 1 . 2]" 1
38 1 6 ASN H 1 48 LEU QD 1.800 . 4.480 4.095 3.441 4.490 0.010 17 0 "[ . 1 . 2]" 1
39 1 6 ASN HA 1 7 PRO QD 1.800 . 3.340 2.041 1.942 2.163 . 0 0 "[ . 1 . 2]" 1
40 1 6 ASN HA 1 7 PRO QG 1.800 . 4.320 3.985 3.902 4.119 . 0 0 "[ . 1 . 2]" 1
41 1 6 ASN QB 1 7 PRO HA 1.800 . 4.910 4.624 4.446 4.782 . 0 0 "[ . 1 . 2]" 1
42 1 6 ASN QB 1 48 LEU QD 1.800 . 4.000 4.015 3.901 4.047 0.047 6 0 "[ . 1 . 2]" 1
43 1 6 ASN HB2 1 7 PRO QD 1.800 . 4.490 2.955 1.956 4.008 . 0 0 "[ . 1 . 2]" 1
44 1 6 ASN HB3 1 7 PRO QD 1.800 . 4.490 2.923 1.986 3.652 . 0 0 "[ . 1 . 2]" 1
45 1 7 PRO HA 1 8 ASN H 1.800 . 3.490 3.390 2.801 3.527 0.037 1 0 "[ . 1 . 2]" 1
46 1 7 PRO HA 1 49 ILE MD 1.800 . 4.850 4.892 4.854 4.945 0.095 14 0 "[ . 1 . 2]" 1
47 1 7 PRO QB 1 8 ASN H 1.800 . 4.610 1.934 1.677 2.163 0.123 14 0 "[ . 1 . 2]" 1
48 1 7 PRO QB 1 46 ASP H 1.800 . 4.480 3.549 3.255 3.890 . 0 0 "[ . 1 . 2]" 1
49 1 7 PRO QD 1 8 ASN H 1.800 . 4.340 3.383 2.866 4.404 0.064 9 0 "[ . 1 . 2]" 1
50 1 7 PRO QD 1 48 LEU HA 1.800 . 4.460 4.527 4.207 4.566 0.106 15 0 "[ . 1 . 2]" 1
51 1 7 PRO QG 1 8 ASN H 1.800 . 4.010 2.016 1.764 3.182 0.036 12 0 "[ . 1 . 2]" 1
52 1 7 PRO QG 1 8 ASN HB2 1.800 . 5.130 3.971 3.723 4.319 . 0 0 "[ . 1 . 2]" 1
53 1 7 PRO QG 1 8 ASN QB 1.800 . 4.440 3.824 3.617 4.114 . 0 0 "[ . 1 . 2]" 1
54 1 7 PRO QG 1 8 ASN HB3 1.800 . 5.130 5.002 4.899 5.173 0.043 4 0 "[ . 1 . 2]" 1
55 1 7 PRO QG 1 9 LEU QB 1.800 . 4.610 3.089 2.631 3.430 . 0 0 "[ . 1 . 2]" 1
56 1 7 PRO QG 1 9 LEU QD 1.800 . 4.010 2.464 1.921 3.140 . 0 0 "[ . 1 . 2]" 1
57 1 8 ASN H 1 8 ASN HB2 1.800 . 3.860 2.439 2.077 2.521 . 0 0 "[ . 1 . 2]" 1
58 1 8 ASN H 1 8 ASN HB3 1.800 . 3.860 3.527 3.410 3.572 . 0 0 "[ . 1 . 2]" 1
59 1 8 ASN H 1 8 ASN HD21 1.800 . 5.040 3.527 2.861 4.627 . 0 0 "[ . 1 . 2]" 1
60 1 8 ASN H 1 8 ASN QD 1.800 . 4.300 3.441 2.812 4.282 . 0 0 "[ . 1 . 2]" 1
61 1 8 ASN H 1 8 ASN HD22 1.800 . 5.040 4.940 4.144 5.051 0.011 9 0 "[ . 1 . 2]" 1
62 1 8 ASN H 1 9 LEU H 1.800 . 3.960 2.511 2.338 3.137 . 0 0 "[ . 1 . 2]" 1
63 1 8 ASN H 1 9 LEU QD 1.800 . 5.070 3.212 2.950 4.079 . 0 0 "[ . 1 . 2]" 1
64 1 8 ASN H 1 9 LEU HG 1.800 . 4.830 4.127 3.860 4.859 0.029 9 0 "[ . 1 . 2]" 1
65 1 8 ASN HA 1 9 LEU HG 1.800 . 4.670 4.100 4.050 4.141 . 0 0 "[ . 1 . 2]" 1
66 1 8 ASN HA 1 10 HIS H 1.800 . 4.270 4.285 4.175 4.298 0.028 8 0 "[ . 1 . 2]" 1
67 1 8 ASN QB 1 9 LEU H 1.800 . 4.190 2.114 2.071 2.147 . 0 0 "[ . 1 . 2]" 1
68 1 8 ASN QB 1 45 GLN HA 1.800 . 4.560 4.174 3.856 4.575 0.015 9 0 "[ . 1 . 2]" 1
69 1 8 ASN HB2 1 9 LEU H 1.800 . 4.790 2.338 2.312 2.379 . 0 0 "[ . 1 . 2]" 1
70 1 8 ASN HB2 1 9 LEU QB 1.800 . 4.690 4.768 4.745 4.784 0.094 15 0 "[ . 1 . 2]" 1
71 1 8 ASN HB2 1 9 LEU QD 1.800 . 4.860 4.817 4.746 4.883 0.023 9 0 "[ . 1 . 2]" 1
72 1 8 ASN HB3 1 9 LEU H 1.800 . 4.790 2.414 2.318 2.467 . 0 0 "[ . 1 . 2]" 1
73 1 8 ASN HB3 1 9 LEU QB 1.800 . 4.690 4.772 4.731 4.802 0.112 19 0 "[ . 1 . 2]" 1
74 1 8 ASN HB3 1 9 LEU QD 1.800 . 4.860 4.873 4.861 4.887 0.027 4 0 "[ . 1 . 2]" 1
75 1 9 LEU H 1 9 LEU QB 1.800 . 3.860 2.713 2.681 2.756 . 0 0 "[ . 1 . 2]" 1
76 1 9 LEU H 1 9 LEU QD 1.800 . 3.930 3.503 3.458 3.603 . 0 0 "[ . 1 . 2]" 1
77 1 9 LEU H 1 9 LEU HG 1.800 . 3.480 3.547 3.518 3.583 0.103 6 0 "[ . 1 . 2]" 1
78 1 9 LEU H 1 10 HIS H 1.800 . 4.220 3.043 2.962 3.083 . 0 0 "[ . 1 . 2]" 1
79 1 9 LEU QB 1 10 HIS H 1.800 . 4.090 4.025 4.016 4.032 . 0 0 "[ . 1 . 2]" 1
80 1 9 LEU QD 1 10 HIS H 1.800 . 4.520 4.255 4.210 4.275 . 0 0 "[ . 1 . 2]" 1
81 1 9 LEU QD 1 10 HIS HA 1.800 . 4.420 3.753 3.664 3.841 . 0 0 "[ . 1 . 2]" 1
82 1 10 HIS H 1 10 HIS QB 1.800 . 3.800 2.287 2.196 2.533 . 0 0 "[ . 1 . 2]" 1
83 1 10 HIS HA 1 10 HIS HE1 1.800 . 4.470 4.392 4.302 4.480 0.010 14 0 "[ . 1 . 2]" 1
84 1 10 HIS QB 1 12 TRP H 1.800 . 4.920 4.849 4.580 4.958 0.038 5 0 "[ . 1 . 2]" 1
85 1 11 TYR H 1 11 TYR QB 1.800 . 3.500 2.459 2.355 2.720 . 0 0 "[ . 1 . 2]" 1
86 1 11 TYR H 1 11 TYR QD 1.800 . 4.170 3.110 3.031 3.224 . 0 0 "[ . 1 . 2]" 1
87 1 11 TYR H 1 11 TYR QE 1.800 . 4.670 4.689 4.543 4.741 0.071 19 0 "[ . 1 . 2]" 1
88 1 11 TYR H 1 12 TRP H 1.800 . 4.290 2.365 2.122 2.636 . 0 0 "[ . 1 . 2]" 1
89 1 11 TYR H 1 17 GLU QG 1.800 . 4.020 4.054 4.025 4.088 0.068 5 0 "[ . 1 . 2]" 1
90 1 11 TYR HA 1 11 TYR QD 1.800 . 3.890 3.580 3.550 3.636 . 0 0 "[ . 1 . 2]" 1
91 1 11 TYR QB 1 12 TRP H 1.800 . 4.090 3.632 3.586 3.744 . 0 0 "[ . 1 . 2]" 1
92 1 11 TYR QB 1 43 HIS HA 1.800 . 3.740 3.360 2.803 3.744 0.004 19 0 "[ . 1 . 2]" 1
93 1 11 TYR QD 1 36 ILE MG 1.800 . 3.870 3.954 3.933 3.977 0.107 10 0 "[ . 1 . 2]" 1
94 1 11 TYR QE 1 12 TRP H 1.800 . 5.080 4.258 4.043 4.546 . 0 0 "[ . 1 . 2]" 1
95 1 11 TYR QE 1 12 TRP HA 1.800 . 3.830 3.882 3.857 3.905 0.075 1 0 "[ . 1 . 2]" 1
96 1 11 TYR QE 1 12 TRP HE3 1.800 . 4.100 2.144 1.963 2.795 . 0 0 "[ . 1 . 2]" 1
97 1 11 TYR QE 1 36 ILE MG 1.800 . 3.650 3.317 3.015 3.607 . 0 0 "[ . 1 . 2]" 1
98 1 11 TYR QE 1 45 GLN QG 1.800 . 4.410 3.153 2.293 4.031 . 0 0 "[ . 1 . 2]" 1
99 1 12 TRP H 1 12 TRP HE3 1.800 . 4.660 4.268 3.985 4.585 . 0 0 "[ . 1 . 2]" 1
100 1 12 TRP H 1 13 THR H 1.800 . 4.250 4.338 4.263 4.412 0.162 18 0 "[ . 1 . 2]" 1
101 1 12 TRP H 1 13 THR MG 1.800 . 5.130 5.191 5.156 5.259 0.129 16 0 "[ . 1 . 2]" 1
102 1 12 TRP HA 1 12 TRP HD1 1.800 . 4.250 4.285 4.240 4.362 0.112 19 0 "[ . 1 . 2]" 1
103 1 12 TRP HA 1 12 TRP HE3 1.800 . 4.090 2.450 2.071 2.720 . 0 0 "[ . 1 . 2]" 1
104 1 12 TRP HA 1 13 THR HA 1.800 . 4.410 4.324 4.265 4.478 0.068 6 0 "[ . 1 . 2]" 1
105 1 12 TRP HA 1 13 THR HB 1.800 . 4.660 4.692 4.665 4.717 0.057 19 0 "[ . 1 . 2]" 1
106 1 12 TRP HA 1 13 THR MG 1.800 . 4.250 3.453 3.046 3.671 . 0 0 "[ . 1 . 2]" 1
107 1 12 TRP HA 1 14 THR H 1.800 . 4.400 4.448 4.407 4.529 0.129 16 0 "[ . 1 . 2]" 1
108 1 12 TRP QB 1 13 THR H 1.800 . 4.170 3.304 2.176 3.685 . 0 0 "[ . 1 . 2]" 1
109 1 12 TRP HD1 1 13 THR MG 1.800 . 4.990 2.803 2.233 3.739 . 0 0 "[ . 1 . 2]" 1
110 1 12 TRP HD1 1 15 GLN QG 1.800 . 4.900 2.752 1.776 4.845 0.024 3 0 "[ . 1 . 2]" 1
111 1 12 TRP HD1 1 17 GLU QG 1.800 . 4.680 4.439 3.953 4.698 0.018 16 0 "[ . 1 . 2]" 1
112 1 12 TRP HE1 1 13 THR MG 1.800 . 5.130 3.356 2.920 3.971 . 0 0 "[ . 1 . 2]" 1
113 1 12 TRP HE3 1 13 THR MG 1.800 . 4.980 4.872 4.411 5.011 0.031 18 0 "[ . 1 . 2]" 1
114 1 12 TRP HE3 1 17 GLU QG 1.800 . 4.880 4.786 4.209 4.918 0.038 18 0 "[ . 1 . 2]" 1
115 1 13 THR H 1 13 THR HB 1.800 . 4.180 2.782 2.577 3.586 . 0 0 "[ . 1 . 2]" 1
116 1 13 THR H 1 13 THR MG 1.800 . 3.540 2.220 1.911 2.328 . 0 0 "[ . 1 . 2]" 1
117 1 13 THR HA 1 13 THR MG 1.800 . 3.390 3.175 3.125 3.193 . 0 0 "[ . 1 . 2]" 1
118 1 13 THR MG 1 15 GLN H 1.800 . 4.500 2.652 2.391 4.503 0.003 6 0 "[ . 1 . 2]" 1
119 1 14 THR H 1 14 THR HB 1.800 . 3.470 3.354 2.869 3.408 . 0 0 "[ . 1 . 2]" 1
120 1 14 THR H 1 14 THR MG 1.800 . 3.660 3.084 2.971 3.652 . 0 0 "[ . 1 . 2]" 1
121 1 14 THR H 1 15 GLN H 1.800 . 3.960 2.248 2.095 2.486 . 0 0 "[ . 1 . 2]" 1
122 1 14 THR H 1 15 GLN QB 1.800 . 4.700 4.136 3.500 4.756 0.056 18 0 "[ . 1 . 2]" 1
123 1 14 THR HA 1 14 THR MG 1.800 . 3.540 3.174 2.811 3.208 . 0 0 "[ . 1 . 2]" 1
124 1 14 THR HA 1 15 GLN H 1.800 . 3.560 3.556 3.537 3.578 0.018 6 0 "[ . 1 . 2]" 1
125 1 14 THR HB 1 15 GLN H 1.800 . 4.020 3.539 2.681 3.658 . 0 0 "[ . 1 . 2]" 1
126 1 14 THR MG 1 15 GLN H 1.800 . 3.990 1.927 1.872 2.082 . 0 0 "[ . 1 . 2]" 1
127 1 14 THR MG 1 15 GLN HA 1.800 . 2.910 2.780 2.749 2.960 0.050 18 0 "[ . 1 . 2]" 1
128 1 14 THR MG 1 16 ASP H 1.800 . 4.700 4.753 4.741 4.778 0.078 6 0 "[ . 1 . 2]" 1
129 1 15 GLN H 1 15 GLN QB 1.800 . 3.530 2.368 2.057 2.559 . 0 0 "[ . 1 . 2]" 1
130 1 15 GLN H 1 15 GLN QG 1.800 . 3.810 2.601 2.113 3.779 . 0 0 "[ . 1 . 2]" 1
131 1 15 GLN HA 1 15 GLN QG 1.800 . 3.820 2.992 2.034 3.352 . 0 0 "[ . 1 . 2]" 1
132 1 15 GLN HA 1 16 ASP H 1.800 . 3.240 2.272 2.150 2.310 . 0 0 "[ . 1 . 2]" 1
133 1 15 GLN HA 1 16 ASP QB 1.800 . 4.560 4.491 4.383 4.571 0.011 7 0 "[ . 1 . 2]" 1
134 1 15 GLN QB 1 15 GLN QG 1.800 . 2.910 2.075 2.025 2.086 . 0 0 "[ . 1 . 2]" 1
135 1 15 GLN QB 1 16 ASP H 1.800 . 3.910 2.749 2.437 3.221 . 0 0 "[ . 1 . 2]" 1
136 1 15 GLN QB 1 16 ASP HA 1.800 . 4.620 4.663 4.641 4.677 0.057 2 0 "[ . 1 . 2]" 1
137 1 15 GLN QG 1 16 ASP H 1.800 . 4.160 3.362 2.269 3.863 . 0 0 "[ . 1 . 2]" 1
138 1 15 GLN QG 1 16 ASP HA 1.800 . 4.790 4.796 4.736 4.811 0.021 8 0 "[ . 1 . 2]" 1
139 1 16 ASP H 1 16 ASP QB 1.800 . 3.370 2.451 2.216 3.287 . 0 0 "[ . 1 . 2]" 1
140 1 16 ASP H 1 19 ALA MB 1.800 . 4.180 4.202 3.822 4.245 0.065 7 0 "[ . 1 . 2]" 1
141 1 16 ASP HA 1 17 GLU H 1.800 . 3.350 2.344 2.147 3.421 0.071 19 0 "[ . 1 . 2]" 1
142 1 16 ASP HA 1 18 GLY H 1.800 . 4.750 4.091 3.606 4.300 . 0 0 "[ . 1 . 2]" 1
143 1 16 ASP HA 1 19 ALA MB 1.800 . 4.370 2.345 2.136 3.300 . 0 0 "[ . 1 . 2]" 1
144 1 16 ASP QB 1 17 GLU H 1.800 . 3.840 3.652 2.994 3.792 . 0 0 "[ . 1 . 2]" 1
145 1 16 ASP QB 1 18 GLY H 1.800 . 5.060 3.279 2.673 4.351 . 0 0 "[ . 1 . 2]" 1
146 1 16 ASP QB 1 19 ALA H 1.800 . 5.170 2.608 1.837 5.133 . 0 0 "[ . 1 . 2]" 1
147 1 17 GLU H 1 17 GLU QB 1.800 . 3.250 2.738 2.568 3.263 0.013 18 0 "[ . 1 . 2]" 1
148 1 17 GLU H 1 17 GLU QG 1.800 . 3.600 2.692 1.737 3.484 0.063 3 0 "[ . 1 . 2]" 1
149 1 17 GLU H 1 18 GLY QA 1.800 . 4.920 4.690 3.812 4.822 . 0 0 "[ . 1 . 2]" 1
150 1 17 GLU HA 1 17 GLU QG 1.800 . 3.540 3.431 3.337 3.484 . 0 0 "[ . 1 . 2]" 1
151 1 17 GLU HA 1 18 GLY H 1.800 . 3.540 2.569 2.456 2.887 . 0 0 "[ . 1 . 2]" 1
152 1 17 GLU QB 1 17 GLU QG 1.800 . 2.620 2.018 2.005 2.027 . 0 0 "[ . 1 . 2]" 1
153 1 17 GLU QB 1 18 GLY H 1.800 . 3.910 3.973 3.925 4.017 0.107 18 0 "[ . 1 . 2]" 1
154 1 17 GLU QB 1 19 ALA H 1.800 . 4.860 4.924 4.879 4.954 0.094 17 0 "[ . 1 . 2]" 1
155 1 17 GLU QG 1 18 GLY H 1.800 . 4.520 4.130 3.954 4.317 . 0 0 "[ . 1 . 2]" 1
156 1 17 GLU QG 1 18 GLY QA 1.800 . 4.670 4.060 3.794 4.713 0.043 19 0 "[ . 1 . 2]" 1
157 1 17 GLU QG 1 19 ALA MB 1.800 . 4.660 4.469 3.780 4.671 0.011 12 0 "[ . 1 . 2]" 1
158 1 18 GLY H 1 19 ALA H 1.800 . 3.440 1.971 1.937 1.994 . 0 0 "[ . 1 . 2]" 1
159 1 18 GLY H 1 19 ALA HA 1.800 . 4.630 4.675 4.651 4.694 0.064 9 0 "[ . 1 . 2]" 1
160 1 18 GLY H 1 19 ALA MB 1.800 . 4.720 3.656 3.586 3.737 . 0 0 "[ . 1 . 2]" 1
161 1 18 GLY QA 1 19 ALA H 1.800 . 3.250 2.883 2.867 2.905 . 0 0 "[ . 1 . 2]" 1
162 1 18 GLY QA 1 19 ALA HA 1.800 . 4.260 4.128 4.101 4.145 . 0 0 "[ . 1 . 2]" 1
163 1 18 GLY QA 1 20 ALA H 1.800 . 4.470 3.524 3.488 3.544 . 0 0 "[ . 1 . 2]" 1
164 1 19 ALA H 1 19 ALA MB 1.800 . 3.020 2.135 2.062 2.217 . 0 0 "[ . 1 . 2]" 1
165 1 19 ALA H 1 20 ALA H 1.800 . 3.630 3.633 3.602 3.644 0.014 13 0 "[ . 1 . 2]" 1
166 1 19 ALA H 1 46 ASP HA 1.800 . 5.030 5.061 5.048 5.081 0.051 16 0 "[ . 1 . 2]" 1
167 1 19 ALA MB 1 21 ILE MG 1.800 . 3.380 3.388 3.302 3.409 0.029 11 0 "[ . 1 . 2]" 1
168 1 20 ALA H 1 20 ALA MB 1.800 . 2.880 2.847 2.813 2.880 0.000 12 0 "[ . 1 . 2]" 1
169 1 20 ALA H 1 22 GLY H 1.800 . 4.440 4.499 4.472 4.529 0.089 16 0 "[ . 1 . 2]" 1
170 1 20 ALA HA 1 21 ILE H 1.800 . 3.340 2.245 2.223 2.268 . 0 0 "[ . 1 . 2]" 1
171 1 20 ALA HA 1 21 ILE HA 1.800 . 4.490 4.275 4.272 4.280 . 0 0 "[ . 1 . 2]" 1
172 1 20 ALA HA 1 21 ILE HB 1.800 . 4.790 4.776 4.735 4.802 0.012 10 0 "[ . 1 . 2]" 1
173 1 20 ALA HA 1 21 ILE MG 1.800 . 3.680 3.768 3.761 3.779 0.099 13 0 "[ . 1 . 2]" 1
174 1 20 ALA HA 1 22 GLY H 1.800 . 4.670 4.286 4.215 4.348 . 0 0 "[ . 1 . 2]" 1
175 1 20 ALA MB 1 21 ILE H 1.800 . 3.560 3.591 3.572 3.609 0.049 19 0 "[ . 1 . 2]" 1
176 1 21 ILE H 1 21 ILE HB 1.800 . 3.370 3.524 3.519 3.531 0.161 9 0 "[ . 1 . 2]" 1
177 1 21 ILE H 1 21 ILE MG 1.800 . 3.880 2.356 2.306 2.419 . 0 0 "[ . 1 . 2]" 1
178 1 21 ILE H 1 22 GLY H 1.800 . 3.830 2.181 2.155 2.216 . 0 0 "[ . 1 . 2]" 1
179 1 21 ILE H 1 22 GLY QA 1.800 . 3.480 3.542 3.532 3.556 0.076 13 0 "[ . 1 . 2]" 1
180 1 21 ILE HA 1 21 ILE MG 1.800 . 3.030 3.157 3.155 3.159 0.129 16 0 "[ . 1 . 2]" 1
181 1 21 ILE HB 1 22 GLY H 1.800 . 4.320 3.793 3.781 3.802 . 0 0 "[ . 1 . 2]" 1
182 1 21 ILE MD 1 23 ALA HA 1.800 . 4.140 3.877 3.807 3.977 . 0 0 "[ . 1 . 2]" 1
183 1 21 ILE MD 1 23 ALA MB 1.800 . 3.190 3.191 3.155 3.199 0.009 4 0 "[ . 1 . 2]" 1
184 1 21 ILE QG 1 21 ILE MG 1.800 . 3.090 2.128 2.104 2.169 . 0 0 "[ . 1 . 2]" 1
185 1 21 ILE MG 1 22 GLY H 1.800 . 4.340 1.804 1.791 1.817 0.009 4 0 "[ . 1 . 2]" 1
186 1 21 ILE MG 1 23 ALA H 1.800 . 4.610 3.007 2.918 3.050 . 0 0 "[ . 1 . 2]" 1
187 1 21 ILE MG 1 23 ALA MB 1.800 . 3.310 3.326 3.314 3.336 0.026 12 0 "[ . 1 . 2]" 1
188 1 22 GLY H 1 23 ALA H 1.800 . 3.870 3.126 3.099 3.154 . 0 0 "[ . 1 . 2]" 1
189 1 22 GLY H 1 23 ALA MB 1.800 . 4.740 4.371 4.331 4.429 . 0 0 "[ . 1 . 2]" 1
190 1 22 GLY QA 1 23 ALA H 1.800 . 3.440 2.908 2.906 2.911 . 0 0 "[ . 1 . 2]" 1
191 1 22 GLY QA 1 23 ALA MB 1.800 . 4.230 3.815 3.790 3.828 . 0 0 "[ . 1 . 2]" 1
192 1 22 GLY QA 1 25 TRP H 1.800 . 4.820 4.345 4.292 4.502 . 0 0 "[ . 1 . 2]" 1
193 1 22 GLY QA 1 30 GLY QA 1.800 . 3.520 3.572 3.558 3.602 0.082 17 0 "[ . 1 . 2]" 1
194 1 23 ALA H 1 23 ALA MB 1.800 . 3.040 2.699 2.677 2.744 . 0 0 "[ . 1 . 2]" 1
195 1 23 ALA H 1 24 ALA H 1.800 . 3.590 2.887 2.810 2.945 . 0 0 "[ . 1 . 2]" 1
196 1 24 ALA H 1 24 ALA MB 1.800 . 3.140 2.991 2.981 3.007 . 0 0 "[ . 1 . 2]" 1
197 1 24 ALA H 1 25 TRP H 1.800 . 3.750 2.138 2.116 2.186 . 0 0 "[ . 1 . 2]" 1
198 1 24 ALA H 1 25 TRP QB 1.800 . 4.740 4.837 4.829 4.876 0.136 17 0 "[ . 1 . 2]" 1
199 1 24 ALA H 1 25 TRP HD1 1.800 . 5.310 5.301 5.293 5.315 0.005 17 0 "[ . 1 . 2]" 1
200 1 24 ALA HA 1 26 ILE H 1.800 . 4.720 4.435 4.414 4.457 . 0 0 "[ . 1 . 2]" 1
201 1 24 ALA MB 1 25 TRP H 1.800 . 3.840 3.709 3.707 3.715 . 0 0 "[ . 1 . 2]" 1
202 1 24 ALA MB 1 25 TRP HD1 1.800 . 4.200 3.507 3.434 3.532 . 0 0 "[ . 1 . 2]" 1
203 1 24 ALA MB 1 26 ILE H 1.800 . 3.910 3.690 3.668 3.755 . 0 0 "[ . 1 . 2]" 1
204 1 24 ALA MB 1 26 ILE HA 1.800 . 4.860 4.931 4.922 4.938 0.078 17 0 "[ . 1 . 2]" 1
205 1 24 ALA MB 1 26 ILE HB 1.800 . 4.310 3.013 3.001 3.070 . 0 0 "[ . 1 . 2]" 1
206 1 24 ALA MB 1 26 ILE MG 1.800 . 3.850 2.052 1.972 2.080 . 0 0 "[ . 1 . 2]" 1
207 1 25 TRP H 1 25 TRP QB 1.800 . 3.610 2.981 2.960 3.000 . 0 0 "[ . 1 . 2]" 1
208 1 25 TRP H 1 25 TRP HD1 1.800 . 4.050 4.105 4.098 4.111 0.061 10 0 "[ . 1 . 2]" 1
209 1 25 TRP H 1 26 ILE H 1.800 . 3.820 3.002 2.981 3.010 . 0 0 "[ . 1 . 2]" 1
210 1 25 TRP H 1 26 ILE HB 1.800 . 4.960 5.006 4.992 5.032 0.072 13 0 "[ . 1 . 2]" 1
211 1 25 TRP H 1 26 ILE MG 1.800 . 4.860 3.941 3.864 3.972 . 0 0 "[ . 1 . 2]" 1
212 1 25 TRP HA 1 25 TRP HD1 1.800 . 4.130 4.150 4.131 4.167 0.037 13 0 "[ . 1 . 2]" 1
213 1 25 TRP HA 1 26 ILE MG 1.800 . 4.180 4.286 4.237 4.309 0.129 10 0 "[ . 1 . 2]" 1
214 1 25 TRP HA 1 27 PRO QD 1.800 . 3.350 2.337 2.297 2.348 . 0 0 "[ . 1 . 2]" 1
215 1 25 TRP HA 1 28 TYR QD 1.800 . 4.310 4.401 4.386 4.461 0.151 17 0 "[ . 1 . 2]" 1
216 1 25 TRP QB 1 26 ILE H 1.800 . 4.170 3.938 3.928 3.940 . 0 0 "[ . 1 . 2]" 1
217 1 25 TRP QB 1 26 ILE HA 1.800 . 4.850 4.384 4.376 4.395 . 0 0 "[ . 1 . 2]" 1
218 1 25 TRP QB 1 26 ILE HB 1.800 . 4.680 4.784 4.771 4.814 0.134 13 0 "[ . 1 . 2]" 1
219 1 25 TRP QB 1 28 TYR QD 1.800 . 4.460 4.521 4.498 4.531 0.071 10 0 "[ . 1 . 2]" 1
220 1 25 TRP HD1 1 26 ILE HA 1.800 . 4.210 4.207 4.141 4.239 0.029 13 0 "[ . 1 . 2]" 1
221 1 25 TRP HD1 1 26 ILE MD 1.800 . 4.570 4.577 4.249 4.626 0.056 10 0 "[ . 1 . 2]" 1
222 1 25 TRP HD1 1 26 ILE MG 1.800 . 4.210 4.111 4.073 4.136 . 0 0 "[ . 1 . 2]" 1
223 1 26 ILE H 1 26 ILE HB 1.800 . 3.720 3.051 3.033 3.089 . 0 0 "[ . 1 . 2]" 1
224 1 26 ILE H 1 26 ILE MG 1.800 . 3.950 1.933 1.890 1.949 . 0 0 "[ . 1 . 2]" 1
225 1 26 ILE H 1 27 PRO HA 1.800 . 4.160 4.272 4.261 4.290 0.130 13 0 "[ . 1 . 2]" 1
226 1 26 ILE H 1 27 PRO QB 1.800 . 5.280 4.258 4.157 4.286 . 0 0 "[ . 1 . 2]" 1
227 1 26 ILE H 1 27 PRO QD 1.800 . 4.520 1.726 1.687 1.740 0.113 17 0 "[ . 1 . 2]" 1
228 1 26 ILE HA 1 26 ILE MG 1.800 . 3.980 3.158 3.154 3.161 . 0 0 "[ . 1 . 2]" 1
229 1 26 ILE HA 1 29 PHE H 1.800 . 4.790 3.694 3.624 3.764 . 0 0 "[ . 1 . 2]" 1
230 1 26 ILE MD 1 34 GLU HA 1.800 . 4.800 4.855 4.847 4.875 0.075 13 0 "[ . 1 . 2]" 1
231 1 26 ILE MG 1 27 PRO HA 1.800 . 4.870 3.664 3.646 3.724 . 0 0 "[ . 1 . 2]" 1
232 1 26 ILE MG 1 27 PRO QB 1.800 . 4.520 4.400 4.310 4.432 . 0 0 "[ . 1 . 2]" 1
233 1 26 ILE MG 1 27 PRO QD 1.800 . 5.240 3.006 2.970 3.027 . 0 0 "[ . 1 . 2]" 1
234 1 26 ILE MG 1 27 PRO QG 1.800 . 4.490 4.610 4.589 4.624 0.134 10 0 "[ . 1 . 2]" 1
235 1 27 PRO HA 1 32 ALA MB 1.800 . 4.050 4.059 4.028 4.088 0.038 17 0 "[ . 1 . 2]" 1
236 1 27 PRO QG 1 28 TYR H 1.800 . 5.200 2.730 2.501 2.765 . 0 0 "[ . 1 . 2]" 1
237 1 28 TYR H 1 28 TYR QB 1.800 . 3.820 2.442 2.435 2.469 . 0 0 "[ . 1 . 2]" 1
238 1 28 TYR H 1 28 TYR QD 1.800 . 4.100 1.979 1.952 2.085 . 0 0 "[ . 1 . 2]" 1
239 1 28 TYR H 1 29 PHE H 1.800 . 3.960 2.852 2.797 2.916 . 0 0 "[ . 1 . 2]" 1
240 1 28 TYR H 1 32 ALA MB 1.800 . 5.050 5.105 5.074 5.117 0.067 10 0 "[ . 1 . 2]" 1
241 1 28 TYR HA 1 28 TYR QD 1.800 . 3.910 3.084 3.036 3.764 . 0 0 "[ . 1 . 2]" 1
242 1 28 TYR QB 1 29 PHE H 1.800 . 4.060 2.249 2.141 3.251 . 0 0 "[ . 1 . 2]" 1
243 1 29 PHE H 1 29 PHE HB2 1.800 . 4.070 3.366 2.561 3.762 . 0 0 "[ . 1 . 2]" 1
244 1 29 PHE H 1 29 PHE QB 1.800 . 3.420 2.976 2.512 3.189 . 0 0 "[ . 1 . 2]" 1
245 1 29 PHE H 1 29 PHE HB3 1.800 . 4.070 3.543 3.352 3.860 . 0 0 "[ . 1 . 2]" 1
246 1 29 PHE H 1 29 PHE QD 1.800 . 4.650 2.998 2.566 3.618 . 0 0 "[ . 1 . 2]" 1
247 1 29 PHE H 1 32 ALA MB 1.800 . 4.760 4.280 4.151 4.346 . 0 0 "[ . 1 . 2]" 1
248 1 29 PHE HA 1 29 PHE QD 1.800 . 4.200 3.362 2.219 3.713 . 0 0 "[ . 1 . 2]" 1
249 1 29 PHE HA 1 32 ALA MB 1.800 . 4.110 2.650 2.448 2.783 . 0 0 "[ . 1 . 2]" 1
250 1 29 PHE QB 1 32 ALA MB 1.800 . 4.290 4.316 4.215 4.362 0.072 7 0 "[ . 1 . 2]" 1
251 1 29 PHE QB 1 33 ALA MB 1.800 . 4.370 1.943 1.815 2.332 . 0 0 "[ . 1 . 2]" 1
252 1 29 PHE QB 1 34 GLU HA 1.800 . 4.460 4.302 4.142 4.423 . 0 0 "[ . 1 . 2]" 1
253 1 29 PHE HB2 1 30 GLY H 1.800 . 5.220 4.092 3.721 4.304 . 0 0 "[ . 1 . 2]" 1
254 1 29 PHE HB2 1 32 ALA MB 1.800 . 5.040 5.000 4.924 5.097 0.057 19 0 "[ . 1 . 2]" 1
255 1 29 PHE HB3 1 30 GLY H 1.800 . 5.220 4.493 4.093 4.609 . 0 0 "[ . 1 . 2]" 1
256 1 29 PHE HB3 1 32 ALA MB 1.800 . 5.040 4.726 4.499 4.845 . 0 0 "[ . 1 . 2]" 1
257 1 30 GLY H 1 31 PRO QD 1.800 . 4.400 3.059 2.994 3.098 . 0 0 "[ . 1 . 2]" 1
258 1 30 GLY QA 1 31 PRO QD 1.800 . 4.080 2.018 2.008 2.029 . 0 0 "[ . 1 . 2]" 1
259 1 30 GLY QA 1 31 PRO QG 1.800 . 5.170 3.823 3.814 3.835 . 0 0 "[ . 1 . 2]" 1
260 1 31 PRO HA 1 32 ALA MB 1.800 . 4.630 4.653 4.632 4.662 0.032 1 0 "[ . 1 . 2]" 1
261 1 31 PRO HA 1 34 GLU H 1.800 . 4.390 3.497 3.455 3.561 . 0 0 "[ . 1 . 2]" 1
262 1 31 PRO HA 1 34 GLU QB 1.800 . 3.770 3.802 3.790 3.813 0.043 2 0 "[ . 1 . 2]" 1
263 1 31 PRO HA 1 34 GLU QG 1.800 . 3.570 2.256 2.053 2.371 . 0 0 "[ . 1 . 2]" 1
264 1 31 PRO HA 1 36 ILE MD 1.800 . 4.930 2.691 2.371 2.855 . 0 0 "[ . 1 . 2]" 1
265 1 31 PRO QD 1 32 ALA H 1.800 . 4.380 3.108 3.077 3.171 . 0 0 "[ . 1 . 2]" 1
266 1 31 PRO QD 1 32 ALA HA 1.800 . 4.830 4.934 4.926 4.953 0.123 9 0 "[ . 1 . 2]" 1
267 1 31 PRO QD 1 34 GLU QG 1.800 . 4.710 4.518 3.955 4.740 0.030 9 0 "[ . 1 . 2]" 1
268 1 31 PRO QG 1 32 ALA MB 1.800 . 3.850 3.275 3.254 3.303 . 0 0 "[ . 1 . 2]" 1
269 1 31 PRO QG 1 33 ALA H 1.800 . 4.900 5.063 5.051 5.086 0.186 9 0 "[ . 1 . 2]" 1
270 1 32 ALA H 1 32 ALA MB 1.800 . 3.210 2.478 2.446 2.527 . 0 0 "[ . 1 . 2]" 1
271 1 32 ALA H 1 33 ALA H 1.800 . 3.480 1.633 1.580 1.667 0.220 9 0 "[ . 1 . 2]" 1
272 1 32 ALA H 1 33 ALA HA 1.800 . 4.250 4.341 4.290 4.363 0.113 17 0 "[ . 1 . 2]" 1
273 1 32 ALA H 1 34 GLU QB 1.800 . 4.420 4.179 4.126 4.211 . 0 0 "[ . 1 . 2]" 1
274 1 32 ALA H 1 34 GLU QG 1.800 . 4.560 3.527 3.381 3.583 . 0 0 "[ . 1 . 2]" 1
275 1 32 ALA H 1 36 ILE HB 1.800 . 4.100 4.194 4.172 4.225 0.125 9 0 "[ . 1 . 2]" 1
276 1 32 ALA H 1 36 ILE MG 1.800 . 4.860 4.442 4.314 4.580 . 0 0 "[ . 1 . 2]" 1
277 1 32 ALA MB 1 33 ALA H 1.800 . 3.300 2.860 2.815 2.919 . 0 0 "[ . 1 . 2]" 1
278 1 32 ALA MB 1 36 ILE MD 1.800 . 3.890 3.922 3.889 3.960 0.070 10 0 "[ . 1 . 2]" 1
279 1 33 ALA H 1 33 ALA MB 1.800 . 3.000 2.710 2.666 2.740 . 0 0 "[ . 1 . 2]" 1
280 1 33 ALA H 1 36 ILE MD 1.800 . 4.760 3.481 3.352 3.663 . 0 0 "[ . 1 . 2]" 1
281 1 33 ALA HA 1 36 ILE HB 1.800 . 4.400 2.451 2.364 2.518 . 0 0 "[ . 1 . 2]" 1
282 1 33 ALA HA 1 36 ILE MD 1.800 . 4.020 4.022 3.934 4.041 0.021 16 0 "[ . 1 . 2]" 1
283 1 33 ALA HA 1 36 ILE QG 1.800 . 4.810 4.539 4.464 4.587 . 0 0 "[ . 1 . 2]" 1
284 1 33 ALA HA 1 37 TYR QB 1.800 . 4.630 2.995 2.672 3.281 . 0 0 "[ . 1 . 2]" 1
285 1 33 ALA MB 1 34 GLU H 1.800 . 3.680 3.520 3.476 3.547 . 0 0 "[ . 1 . 2]" 1
286 1 33 ALA MB 1 34 GLU HA 1.800 . 4.720 4.115 4.042 4.138 . 0 0 "[ . 1 . 2]" 1
287 1 33 ALA MB 1 34 GLU QG 1.800 . 4.840 4.899 4.882 4.913 0.073 13 0 "[ . 1 . 2]" 1
288 1 33 ALA MB 1 35 GLY H 1.800 . 4.390 3.752 3.673 3.826 . 0 0 "[ . 1 . 2]" 1
289 1 33 ALA MB 1 36 ILE MG 1.800 . 3.500 3.543 3.533 3.558 0.058 19 0 "[ . 1 . 2]" 1
290 1 34 GLU H 1 34 GLU QB 1.800 . 3.360 2.632 2.599 2.658 . 0 0 "[ . 1 . 2]" 1
291 1 34 GLU H 1 34 GLU QG 1.800 . 4.070 1.990 1.917 2.153 . 0 0 "[ . 1 . 2]" 1
292 1 34 GLU H 1 36 ILE MG 1.800 . 5.160 4.226 4.093 4.342 . 0 0 "[ . 1 . 2]" 1
293 1 34 GLU QB 1 35 GLY H 1.800 . 3.840 3.963 3.957 3.975 0.135 13 0 "[ . 1 . 2]" 1
294 1 34 GLU QG 1 35 GLY H 1.800 . 4.100 4.085 4.032 4.104 0.004 9 0 "[ . 1 . 2]" 1
295 1 35 GLY H 1 36 ILE H 1.800 . 3.360 2.376 2.269 2.443 . 0 0 "[ . 1 . 2]" 1
296 1 35 GLY H 1 36 ILE MG 1.800 . 4.920 4.979 4.957 4.998 0.078 10 0 "[ . 1 . 2]" 1
297 1 35 GLY H 1 37 TYR QE 1.800 . 3.810 2.150 1.975 2.584 . 0 0 "[ . 1 . 2]" 1
298 1 36 ILE H 1 36 ILE HB 1.800 . 3.530 2.090 2.072 2.123 . 0 0 "[ . 1 . 2]" 1
299 1 36 ILE H 1 36 ILE HG12 1.800 . 4.180 4.222 4.203 4.260 0.080 9 0 "[ . 1 . 2]" 1
300 1 36 ILE H 1 36 ILE QG 1.800 . 3.450 3.054 2.999 3.152 . 0 0 "[ . 1 . 2]" 1
301 1 36 ILE H 1 36 ILE HG13 1.800 . 4.180 3.134 3.071 3.254 . 0 0 "[ . 1 . 2]" 1
302 1 36 ILE H 1 36 ILE MG 1.800 . 3.800 3.460 3.387 3.516 . 0 0 "[ . 1 . 2]" 1
303 1 36 ILE HA 1 36 ILE MD 1.800 . 3.590 3.675 3.609 3.691 0.101 20 0 "[ . 1 . 2]" 1
304 1 36 ILE HA 1 36 ILE HG12 1.800 . 4.180 2.549 2.365 2.798 . 0 0 "[ . 1 . 2]" 1
305 1 36 ILE HA 1 36 ILE HG13 1.800 . 4.180 2.318 2.122 2.477 . 0 0 "[ . 1 . 2]" 1
306 1 36 ILE HA 1 36 ILE MG 1.800 . 3.440 2.797 2.753 2.823 . 0 0 "[ . 1 . 2]" 1
307 1 36 ILE HA 1 39 GLU QB 1.800 . 4.450 4.331 4.153 4.457 0.007 6 0 "[ . 1 . 2]" 1
308 1 36 ILE HA 1 39 GLU QG 1.800 . 4.910 3.912 2.344 4.139 . 0 0 "[ . 1 . 2]" 1
309 1 36 ILE HB 1 36 ILE MD 1.800 . 3.250 2.239 2.156 2.384 . 0 0 "[ . 1 . 2]" 1
310 1 36 ILE HB 1 37 TYR H 1.800 . 3.900 2.909 2.793 3.038 . 0 0 "[ . 1 . 2]" 1
311 1 36 ILE HB 1 37 TYR HA 1.800 . 4.880 4.829 4.777 4.874 . 0 0 "[ . 1 . 2]" 1
312 1 36 ILE HB 1 37 TYR QD 1.800 . 4.610 4.089 4.013 4.184 . 0 0 "[ . 1 . 2]" 1
313 1 36 ILE QG 1 37 TYR H 1.800 . 4.900 4.372 4.326 4.423 . 0 0 "[ . 1 . 2]" 1
314 1 36 ILE QG 1 39 GLU QB 1.800 . 4.470 4.504 4.486 4.549 0.079 10 0 "[ . 1 . 2]" 1
315 1 36 ILE HG12 1 36 ILE MG 1.800 . 3.410 2.315 2.204 2.407 . 0 0 "[ . 1 . 2]" 1
316 1 36 ILE HG13 1 36 ILE MG 1.800 . 3.410 3.177 3.120 3.198 . 0 0 "[ . 1 . 2]" 1
317 1 36 ILE MG 1 37 TYR H 1.800 . 3.740 2.541 2.440 2.627 . 0 0 "[ . 1 . 2]" 1
318 1 36 ILE MG 1 37 TYR HA 1.800 . 4.250 2.869 2.812 2.909 . 0 0 "[ . 1 . 2]" 1
319 1 36 ILE MG 1 37 TYR QB 1.800 . 5.040 3.614 3.478 3.704 . 0 0 "[ . 1 . 2]" 1
320 1 36 ILE MG 1 37 TYR QD 1.800 . 4.030 4.021 3.890 4.058 0.028 9 0 "[ . 1 . 2]" 1
321 1 36 ILE MG 1 39 GLU H 1.800 . 4.780 3.786 3.718 4.035 . 0 0 "[ . 1 . 2]" 1
322 1 36 ILE MG 1 39 GLU QB 1.800 . 4.060 3.456 3.358 3.524 . 0 0 "[ . 1 . 2]" 1
323 1 36 ILE MG 1 39 GLU QG 1.800 . 4.650 2.391 2.282 2.926 . 0 0 "[ . 1 . 2]" 1
324 1 37 TYR H 1 37 TYR QB 1.800 . 3.600 2.435 2.332 2.574 . 0 0 "[ . 1 . 2]" 1
325 1 37 TYR H 1 37 TYR QD 1.800 . 3.690 1.856 1.767 1.975 0.033 9 0 "[ . 1 . 2]" 1
326 1 37 TYR HA 1 37 TYR QD 1.800 . 3.550 3.682 3.653 3.695 0.145 12 0 "[ . 1 . 2]" 1
327 1 37 TYR HA 1 44 ASN H 1.800 . 4.790 4.825 4.804 4.842 0.052 1 0 "[ . 1 . 2]" 1
328 1 37 TYR QB 1 38 ALA H 1.800 . 4.150 3.556 3.468 3.590 . 0 0 "[ . 1 . 2]" 1
329 1 37 TYR QB 1 38 ALA MB 1.800 . 4.950 4.751 4.715 4.786 . 0 0 "[ . 1 . 2]" 1
330 1 37 TYR QD 1 38 ALA H 1.800 . 4.670 3.123 2.400 3.314 . 0 0 "[ . 1 . 2]" 1
331 1 37 TYR QD 1 38 ALA HA 1.800 . 4.000 3.668 3.334 4.022 0.022 7 0 "[ . 1 . 2]" 1
332 1 37 TYR QD 1 38 ALA MB 1.800 . 4.060 4.005 3.662 4.070 0.010 6 0 "[ . 1 . 2]" 1
333 1 37 TYR QE 1 38 ALA MB 1.800 . 4.140 3.940 3.441 4.060 . 0 0 "[ . 1 . 2]" 1
334 1 38 ALA H 1 38 ALA MB 1.800 . 3.130 2.213 2.183 2.222 . 0 0 "[ . 1 . 2]" 1
335 1 38 ALA H 1 39 GLU H 1.800 . 3.320 2.735 2.705 2.770 . 0 0 "[ . 1 . 2]" 1
336 1 38 ALA H 1 39 GLU QB 1.800 . 5.150 4.960 4.909 5.036 . 0 0 "[ . 1 . 2]" 1
337 1 38 ALA H 1 39 GLU QG 1.800 . 5.110 3.706 3.666 3.888 . 0 0 "[ . 1 . 2]" 1
338 1 38 ALA MB 1 39 GLU H 1.800 . 3.550 2.920 2.499 3.009 . 0 0 "[ . 1 . 2]" 1
339 1 38 ALA MB 1 39 GLU QG 1.800 . 4.210 4.107 2.888 4.262 0.052 9 0 "[ . 1 . 2]" 1
340 1 38 ALA MB 1 40 GLY H 1.800 . 4.600 4.670 4.648 4.718 0.118 7 0 "[ . 1 . 2]" 1
341 1 39 GLU H 1 39 GLU QB 1.800 . 3.400 2.626 2.599 2.718 . 0 0 "[ . 1 . 2]" 1
342 1 39 GLU H 1 39 GLU QG 1.800 . 3.740 1.753 1.728 1.830 0.072 9 0 "[ . 1 . 2]" 1
343 1 39 GLU H 1 40 GLY QA 1.800 . 4.310 4.431 4.331 4.446 0.136 4 0 "[ . 1 . 2]" 1
344 1 39 GLU HA 1 39 GLU QG 1.800 . 3.930 3.311 2.762 3.384 . 0 0 "[ . 1 . 2]" 1
345 1 39 GLU QB 1 40 GLY H 1.800 . 3.980 3.052 1.994 3.206 . 0 0 "[ . 1 . 2]" 1
346 1 39 GLU QB 1 44 ASN HA 1.800 . 4.440 4.463 4.448 4.499 0.059 7 0 "[ . 1 . 2]" 1
347 1 39 GLU QG 1 40 GLY H 1.800 . 4.690 2.286 2.090 3.286 . 0 0 "[ . 1 . 2]" 1
348 1 39 GLU QG 1 40 GLY QA 1.800 . 4.600 3.981 3.828 4.781 0.181 10 0 "[ . 1 . 2]" 1
349 1 39 GLU QG 1 41 LEU QD 1.800 . 3.750 3.470 3.315 3.646 . 0 0 "[ . 1 . 2]" 1
350 1 40 GLY H 1 41 LEU H 1.800 . 3.730 3.011 2.873 3.114 . 0 0 "[ . 1 . 2]" 1
351 1 40 GLY H 1 41 LEU QD 1.800 . 4.710 3.532 3.268 3.938 . 0 0 "[ . 1 . 2]" 1
352 1 40 GLY QA 1 41 LEU QD 1.800 . 4.130 3.636 3.396 4.113 . 0 0 "[ . 1 . 2]" 1
353 1 40 GLY QA 1 42 MET H 1.800 . 4.760 4.442 3.559 4.633 . 0 0 "[ . 1 . 2]" 1
354 1 41 LEU H 1 41 LEU QB 1.800 . 3.500 3.149 3.000 3.447 . 0 0 "[ . 1 . 2]" 1
355 1 41 LEU H 1 41 LEU QD 1.800 . 4.130 2.102 1.938 2.288 . 0 0 "[ . 1 . 2]" 1
356 1 41 LEU HA 1 41 LEU QD 1.800 . 3.270 3.324 3.303 3.341 0.071 6 0 "[ . 1 . 2]" 1
357 1 41 LEU QB 1 41 LEU QD 1.800 . 2.790 1.889 1.858 1.936 . 0 0 "[ . 1 . 2]" 1
358 1 41 LEU QB 1 42 MET H 1.800 . 3.950 3.381 2.947 3.683 . 0 0 "[ . 1 . 2]" 1
359 1 41 LEU QD 1 42 MET H 1.800 . 4.200 2.033 1.825 2.151 . 0 0 "[ . 1 . 2]" 1
360 1 41 LEU QD 1 42 MET HA 1.800 . 4.310 4.157 3.670 4.319 0.009 6 0 "[ . 1 . 2]" 1
361 1 41 LEU QD 1 42 MET QG 1.800 . 5.050 3.415 1.710 4.516 0.090 7 0 "[ . 1 . 2]" 1
362 1 41 LEU QD 1 43 HIS H 1.800 . 5.010 1.974 1.908 2.255 . 0 0 "[ . 1 . 2]" 1
363 1 41 LEU QD 1 43 HIS HA 1.800 . 4.150 3.969 3.843 4.183 0.033 7 0 "[ . 1 . 2]" 1
364 1 41 LEU HG 1 42 MET QG 1.800 . 4.890 3.634 1.866 4.887 . 0 0 "[ . 1 . 2]" 1
365 1 41 LEU HG 1 43 HIS H 1.800 . 5.060 3.018 2.322 4.853 . 0 0 "[ . 1 . 2]" 1
366 1 42 MET H 1 42 MET QB 1.800 . 3.590 3.158 2.956 3.487 . 0 0 "[ . 1 . 2]" 1
367 1 42 MET H 1 42 MET QG 1.800 . 3.990 3.450 2.590 4.026 0.036 8 0 "[ . 1 . 2]" 1
368 1 42 MET QB 1 43 HIS H 1.800 . 4.240 3.262 2.969 3.619 . 0 0 "[ . 1 . 2]" 1
369 1 42 MET QG 1 43 HIS H 1.800 . 5.250 3.503 1.969 4.631 . 0 0 "[ . 1 . 2]" 1
370 1 43 HIS H 1 43 HIS QB 1.800 . 3.660 2.085 2.048 2.150 . 0 0 "[ . 1 . 2]" 1
371 1 43 HIS HA 1 43 HIS HE1 1.800 . 4.200 4.254 4.243 4.297 0.097 10 0 "[ . 1 . 2]" 1
372 1 43 HIS QB 1 44 ASN HA 1.800 . 4.640 3.975 3.930 4.007 . 0 0 "[ . 1 . 2]" 1
373 1 43 HIS QB 1 45 GLN QG 1.800 . 4.720 4.554 4.143 4.730 0.010 20 0 "[ . 1 . 2]" 1
374 1 43 HIS HB2 1 44 ASN H 1.800 . 4.920 3.556 3.211 3.682 . 0 0 "[ . 1 . 2]" 1
375 1 43 HIS HB3 1 44 ASN H 1.800 . 4.920 3.688 3.565 3.807 . 0 0 "[ . 1 . 2]" 1
376 1 44 ASN H 1 44 ASN QB 1.800 . 3.920 2.496 2.060 2.697 . 0 0 "[ . 1 . 2]" 1
377 1 44 ASN H 1 45 GLN QB 1.800 . 4.880 4.751 4.583 4.890 0.010 6 0 "[ . 1 . 2]" 1
378 1 44 ASN H 1 45 GLN QG 1.800 . 5.130 4.413 3.834 4.707 . 0 0 "[ . 1 . 2]" 1
379 1 44 ASN HA 1 45 GLN H 1.800 . 3.420 3.198 3.146 3.369 . 0 0 "[ . 1 . 2]" 1
380 1 44 ASN HA 1 45 GLN QG 1.800 . 4.300 4.245 4.122 4.344 0.044 10 0 "[ . 1 . 2]" 1
381 1 44 ASN QB 1 45 GLN H 1.800 . 4.090 3.797 3.142 3.966 . 0 0 "[ . 1 . 2]" 1
382 1 45 GLN H 1 45 GLN QB 1.800 . 3.640 2.496 2.379 2.641 . 0 0 "[ . 1 . 2]" 1
383 1 45 GLN H 1 45 GLN QG 1.800 . 3.870 2.116 1.917 2.328 . 0 0 "[ . 1 . 2]" 1
384 1 45 GLN HA 1 45 GLN QG 1.800 . 3.820 3.372 3.323 3.430 . 0 0 "[ . 1 . 2]" 1
385 1 45 GLN HA 1 46 ASP H 1.800 . 3.630 2.615 2.485 2.685 . 0 0 "[ . 1 . 2]" 1
386 1 45 GLN QB 1 46 ASP H 1.800 . 4.130 1.970 1.912 2.162 . 0 0 "[ . 1 . 2]" 1
387 1 45 GLN QB 1 47 GLY QA 1.800 . 4.350 4.127 3.976 4.286 . 0 0 "[ . 1 . 2]" 1
388 1 46 ASP H 1 46 ASP QB 1.800 . 3.530 2.551 2.330 2.886 . 0 0 "[ . 1 . 2]" 1
389 1 46 ASP QB 1 47 GLY H 1.800 . 4.200 2.438 2.077 3.675 . 0 0 "[ . 1 . 2]" 1
390 1 48 LEU H 1 48 LEU QD 1.800 . 4.020 2.457 2.215 2.806 . 0 0 "[ . 1 . 2]" 1
391 1 48 LEU H 1 48 LEU HG 1.800 . 3.630 1.901 1.850 1.982 . 0 0 "[ . 1 . 2]" 1
392 1 48 LEU HA 1 48 LEU QD 1.800 . 3.510 3.385 3.290 3.440 . 0 0 "[ . 1 . 2]" 1
393 1 48 LEU HA 1 49 ILE HB 1.800 . 4.790 4.648 4.425 4.827 0.037 19 0 "[ . 1 . 2]" 1
394 1 48 LEU QB 1 49 ILE H 1.800 . 4.010 2.503 2.163 3.500 . 0 0 "[ . 1 . 2]" 1
395 1 48 LEU QB 1 50 CYS H 1.800 . 5.010 4.815 4.545 4.981 . 0 0 "[ . 1 . 2]" 1
396 1 49 ILE H 1 49 ILE HB 1.800 . 3.730 3.582 2.842 3.719 . 0 0 "[ . 1 . 2]" 1
397 1 49 ILE H 1 49 ILE MD 1.800 . 3.970 2.247 1.914 3.424 . 0 0 "[ . 1 . 2]" 1
398 1 49 ILE H 1 49 ILE HG12 1.800 . 4.340 3.346 2.651 4.397 0.057 15 0 "[ . 1 . 2]" 1
399 1 49 ILE H 1 49 ILE QG 1.800 . 3.650 3.146 2.626 3.662 0.012 13 0 "[ . 1 . 2]" 1
400 1 49 ILE H 1 49 ILE HG13 1.800 . 4.340 4.250 3.906 4.369 0.029 5 0 "[ . 1 . 2]" 1
401 1 49 ILE H 1 50 CYS H 1.800 . 3.910 3.866 3.710 4.026 0.116 19 0 "[ . 1 . 2]" 1
402 1 49 ILE HA 1 49 ILE MD 1.800 . 3.610 2.138 1.919 2.423 . 0 0 "[ . 1 . 2]" 1
403 1 49 ILE HA 1 50 CYS QB 1.800 . 5.020 4.392 4.170 4.539 . 0 0 "[ . 1 . 2]" 1
404 1 49 ILE HB 1 49 ILE MD 1.800 . 3.090 3.055 2.494 3.207 0.117 20 0 "[ . 1 . 2]" 1
405 1 49 ILE HB 1 50 CYS H 1.800 . 4.350 4.229 4.096 4.394 0.044 13 0 "[ . 1 . 2]" 1
406 1 49 ILE MD 1 50 CYS H 1.800 . 4.290 3.902 3.674 4.244 . 0 0 "[ . 1 . 2]" 1
407 1 49 ILE MG 1 50 CYS H 1.800 . 3.590 2.716 2.467 3.006 . 0 0 "[ . 1 . 2]" 1
408 1 49 ILE MG 1 50 CYS QB 1.800 . 3.990 3.883 3.743 4.001 0.011 19 0 "[ . 1 . 2]" 1
409 1 50 CYS HA 1 51 GLY QA 1.800 . 4.490 4.240 4.221 4.288 . 0 0 "[ . 1 . 2]" 1
410 1 50 CYS HA 1 53 ARG H 1.800 . 4.870 4.834 4.518 4.908 0.038 18 0 "[ . 1 . 2]" 1
411 1 50 CYS HB2 1 51 GLY H 1.800 . 4.610 2.866 2.800 2.997 . 0 0 "[ . 1 . 2]" 1
412 1 50 CYS HB3 1 51 GLY H 1.800 . 4.610 3.807 3.511 4.043 . 0 0 "[ . 1 . 2]" 1
413 1 51 GLY H 1 52 LEU H 1.800 . 4.150 2.755 2.319 3.002 . 0 0 "[ . 1 . 2]" 1
414 1 51 GLY H 1 52 LEU HA 1.800 . 4.520 4.555 4.427 4.651 0.131 20 0 "[ . 1 . 2]" 1
415 1 51 GLY H 1 52 LEU QD 1.800 . 4.730 4.375 4.050 4.741 0.011 5 0 "[ . 1 . 2]" 1
416 1 51 GLY QA 1 52 LEU QB 1.800 . 5.020 3.717 3.621 3.781 . 0 0 "[ . 1 . 2]" 1
417 1 51 GLY QA 1 52 LEU HG 1.800 . 4.640 4.693 4.481 4.735 0.095 16 0 "[ . 1 . 2]" 1
418 1 52 LEU H 1 52 LEU QB 1.800 . 3.200 3.255 2.895 3.339 0.139 20 0 "[ . 1 . 2]" 1
419 1 52 LEU H 1 52 LEU QD 1.800 . 3.920 2.653 2.353 3.600 . 0 0 "[ . 1 . 2]" 1
420 1 52 LEU H 1 52 LEU HG 1.800 . 4.200 3.323 3.184 4.248 0.048 3 0 "[ . 1 . 2]" 1
421 1 52 LEU HA 1 52 LEU HG 1.800 . 4.090 3.644 3.495 3.726 . 0 0 "[ . 1 . 2]" 1
422 1 52 LEU QB 1 52 LEU QD 1.800 . 3.430 1.831 1.761 1.893 0.039 8 0 "[ . 1 . 2]" 1
423 1 52 LEU QB 1 53 ARG H 1.800 . 3.980 3.603 3.313 4.014 0.034 4 0 "[ . 1 . 2]" 1
424 1 52 LEU QD 1 53 ARG H 1.800 . 3.590 2.830 2.153 3.728 0.138 3 0 "[ . 1 . 2]" 1
425 1 52 LEU QD 1 53 ARG QD 1.800 . 4.870 3.811 3.313 4.163 . 0 0 "[ . 1 . 2]" 1
426 1 52 LEU QD 1 53 ARG HE 1.800 . 4.350 4.043 2.777 4.371 0.021 15 0 "[ . 1 . 2]" 1
427 1 52 LEU QD 1 54 GLN H 1.800 . 5.190 5.007 3.989 5.275 0.085 7 0 "[ . 1 . 2]" 1
428 1 52 LEU QD 1 54 GLN QB 1.800 . 3.600 3.570 2.801 3.639 0.039 12 0 "[ . 1 . 2]" 1
429 1 52 LEU QD 1 54 GLN QG 1.800 . 4.360 4.137 2.774 4.371 0.011 1 0 "[ . 1 . 2]" 1
430 1 52 LEU HG 1 53 ARG QD 1.800 . 4.070 4.038 3.519 4.180 0.110 10 0 "[ . 1 . 2]" 1
431 1 52 LEU HG 1 54 GLN HA 1.800 . 4.900 4.944 4.903 4.986 0.086 19 0 "[ . 1 . 2]" 1
432 1 53 ARG H 1 53 ARG QD 1.800 . 5.120 3.812 2.101 4.418 . 0 0 "[ . 1 . 2]" 1
433 1 53 ARG H 1 53 ARG QG 1.800 . 3.850 3.109 2.732 3.905 0.055 19 0 "[ . 1 . 2]" 1
434 1 53 ARG H 1 54 GLN H 1.800 . 4.600 4.038 3.413 4.550 . 0 0 "[ . 1 . 2]" 1
435 1 53 ARG HA 1 53 ARG QD 1.800 . 4.190 3.869 2.476 4.134 . 0 0 "[ . 1 . 2]" 1
436 1 53 ARG HA 1 53 ARG QG 1.800 . 4.000 3.040 2.184 3.488 . 0 0 "[ . 1 . 2]" 1
437 1 53 ARG HA 1 54 GLN H 1.800 . 3.150 2.238 2.128 2.515 . 0 0 "[ . 1 . 2]" 1
438 1 53 ARG QB 1 53 ARG QD 1.800 . 3.960 2.186 1.948 2.495 . 0 0 "[ . 1 . 2]" 1
439 1 53 ARG QB 1 54 GLN H 1.800 . 3.520 2.887 2.134 3.598 0.078 19 0 "[ . 1 . 2]" 1
440 1 53 ARG QB 1 54 GLN HA 1.800 . 4.050 4.052 3.845 4.162 0.112 4 0 "[ . 1 . 2]" 1
441 1 53 ARG QD 1 53 ARG QH2 1.800 . 4.340 3.639 3.612 3.673 . 0 0 "[ . 1 . 2]" 1
442 1 53 ARG QG 1 54 GLN H 1.800 . 4.070 4.042 3.161 4.176 0.106 16 0 "[ . 1 . 2]" 1
443 1 54 GLN H 1 54 GLN QG 1.800 . 4.160 3.380 1.997 4.211 0.051 11 0 "[ . 1 . 2]" 1
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