NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385585 |
1l3e   |
5306 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l3e
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 1176
_Distance_constraint_stats_list.Viol_count 3031
_Distance_constraint_stats_list.Viol_total 3239.315
_Distance_constraint_stats_list.Viol_max 0.355
_Distance_constraint_stats_list.Viol_rms 0.0326
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0095
_Distance_constraint_stats_list.Viol_average_violations_only 0.0629
_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 4 ASP 0.539 0.058 7 0 "[ . 1 . ]"
1 5 GLU 0.532 0.168 2 0 "[ . 1 . ]"
1 6 SER 0.222 0.168 2 0 "[ . 1 . ]"
1 7 GLY 0.005 0.005 5 0 "[ . 1 . ]"
1 8 LEU 4.304 0.166 11 0 "[ . 1 . ]"
1 9 PRO 0.663 0.088 10 0 "[ . 1 . ]"
1 10 GLN 1.667 0.085 4 0 "[ . 1 . ]"
1 11 LEU 1.350 0.104 4 0 "[ . 1 . ]"
1 12 THR 3.048 0.095 3 0 "[ . 1 . ]"
1 13 SER 3.327 0.208 10 0 "[ . 1 . ]"
1 14 TYR 2.259 0.063 6 0 "[ . 1 . ]"
1 15 ASP 0.469 0.039 9 0 "[ . 1 . ]"
1 16 CYS 3.069 0.075 5 0 "[ . 1 . ]"
1 17 GLU 2.656 0.075 5 0 "[ . 1 . ]"
1 18 VAL 0.758 0.042 5 0 "[ . 1 . ]"
1 19 ASN 1.254 0.044 6 0 "[ . 1 . ]"
1 20 ALA 0.804 0.101 5 0 "[ . 1 . ]"
1 21 PRO 1.290 0.101 5 0 "[ . 1 . ]"
1 22 ILE 2.660 0.105 5 0 "[ . 1 . ]"
1 23 GLN 0.369 0.054 13 0 "[ . 1 . ]"
1 24 GLY 0.307 0.045 2 0 "[ . 1 . ]"
1 25 SER 0.633 0.093 13 0 "[ . 1 . ]"
1 26 ARG 5.768 0.276 3 0 "[ . 1 . ]"
1 27 ASN 6.049 0.203 15 0 "[ . 1 . ]"
1 28 LEU 6.519 0.216 8 0 "[ . 1 . ]"
1 29 LEU 3.406 0.355 8 0 "[ . 1 . ]"
1 30 GLN 2.413 0.114 3 0 "[ . 1 . ]"
1 31 GLY 4.047 0.216 12 0 "[ . 1 . ]"
1 32 GLU 0.691 0.060 7 0 "[ . 1 . ]"
1 33 GLU 3.857 0.199 2 0 "[ . 1 . ]"
1 34 LEU 8.644 0.204 15 0 "[ . 1 . ]"
1 35 LEU 2.397 0.123 7 0 "[ . 1 . ]"
1 36 ARG 0.887 0.056 12 0 "[ . 1 . ]"
1 37 ALA 3.277 0.194 5 0 "[ . 1 . ]"
1 38 LEU 1.938 0.123 7 0 "[ . 1 . ]"
1 39 ASP 2.501 0.072 10 0 "[ . 1 . ]"
1 40 GLN 2.587 0.084 8 0 "[ . 1 . ]"
1 41 VAL 2.636 0.155 14 0 "[ . 1 . ]"
1 42 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 6 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 7 THR 0.001 0.001 1 0 "[ . 1 . ]"
2 8 ALA 0.968 0.071 9 0 "[ . 1 . ]"
2 9 ASP 0.336 0.048 6 0 "[ . 1 . ]"
2 10 PRO 0.157 0.040 6 0 "[ . 1 . ]"
2 11 GLU 4.333 0.153 7 0 "[ . 1 . ]"
2 12 LYS 2.835 0.153 7 0 "[ . 1 . ]"
2 13 ARG 2.112 0.125 15 0 "[ . 1 . ]"
2 14 LYS 2.102 0.125 15 0 "[ . 1 . ]"
2 15 LEU 2.819 0.120 14 0 "[ . 1 . ]"
2 16 ILE 1.968 0.120 14 0 "[ . 1 . ]"
2 17 GLN 0.160 0.024 4 0 "[ . 1 . ]"
2 18 GLN 4.989 0.199 2 0 "[ . 1 . ]"
2 19 GLN 5.818 0.199 2 0 "[ . 1 . ]"
2 20 LEU 1.752 0.120 7 0 "[ . 1 . ]"
2 21 VAL 1.247 0.123 2 0 "[ . 1 . ]"
2 22 LEU 8.351 0.284 6 0 "[ . 1 . ]"
2 23 LEU 1.804 0.080 3 0 "[ . 1 . ]"
2 24 LEU 6.231 0.123 2 0 "[ . 1 . ]"
2 25 HIS 13.931 0.290 13 0 "[ . 1 . ]"
2 26 ALA 9.400 0.290 13 0 "[ . 1 . ]"
2 27 HIS 2.112 0.103 12 0 "[ . 1 . ]"
2 28 LYS 0.457 0.052 14 0 "[ . 1 . ]"
2 29 CYS 1.876 0.095 7 0 "[ . 1 . ]"
2 30 GLN 3.421 0.175 16 0 "[ . 1 . ]"
2 31 ARG 6.107 0.199 5 0 "[ . 1 . ]"
2 32 ARG 3.740 0.199 5 0 "[ . 1 . ]"
2 33 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 34 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 35 ALA 0.089 0.028 4 0 "[ . 1 . ]"
2 36 ASN 0.000 0.000 . 0 "[ . 1 . ]"
2 37 GLY 0.089 0.028 4 0 "[ . 1 . ]"
2 38 GLU 0.607 0.064 16 0 "[ . 1 . ]"
2 39 VAL 1.937 0.079 9 0 "[ . 1 . ]"
2 40 ARG 1.164 0.079 9 0 "[ . 1 . ]"
2 41 GLN 0.000 0.000 . 0 "[ . 1 . ]"
2 42 CYS 4.171 0.246 8 0 "[ . 1 . ]"
2 43 ASN 0.079 0.020 10 0 "[ . 1 . ]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 45 PRO 0.039 0.011 4 0 "[ . 1 . ]"
2 46 HIS 0.022 0.022 3 0 "[ . 1 . ]"
2 47 CYS 3.855 0.214 17 0 "[ . 1 . ]"
2 48 ARG 2.907 0.214 17 0 "[ . 1 . ]"
2 49 THR 0.680 0.056 13 0 "[ . 1 . ]"
2 50 MET 2.096 0.112 12 0 "[ . 1 . ]"
2 51 LYS 1.577 0.104 2 0 "[ . 1 . ]"
2 52 ASN 3.160 0.104 2 0 "[ . 1 . ]"
2 53 VAL 2.768 0.112 12 0 "[ . 1 . ]"
2 54 LEU 9.959 0.292 3 0 "[ . 1 . ]"
2 55 ASN 2.165 0.118 15 0 "[ . 1 . ]"
2 56 HIS 7.485 0.240 13 0 "[ . 1 . ]"
2 57 MET 6.075 0.240 13 0 "[ . 1 . ]"
2 58 THR 0.736 0.040 6 0 "[ . 1 . ]"
2 59 HIS 2.892 0.104 2 0 "[ . 1 . ]"
2 60 CYS 3.558 0.270 4 0 "[ . 1 . ]"
2 61 GLN 0.089 0.022 16 0 "[ . 1 . ]"
2 62 SER 1.460 0.270 4 0 "[ . 1 . ]"
2 63 GLY 5.227 0.264 5 0 "[ . 1 . ]"
2 64 LYS 4.435 0.264 5 0 "[ . 1 . ]"
2 65 SER 0.273 0.100 1 0 "[ . 1 . ]"
2 66 CYS 1.627 0.103 3 0 "[ . 1 . ]"
2 67 GLN 0.029 0.029 15 0 "[ . 1 . ]"
2 68 VAL 11.681 0.212 15 0 "[ . 1 . ]"
2 69 ALA 5.374 0.212 15 0 "[ . 1 . ]"
2 70 HIS 6.109 0.151 10 0 "[ . 1 . ]"
2 71 CYS 6.767 0.212 15 0 "[ . 1 . ]"
2 72 ALA 4.759 0.212 15 0 "[ . 1 . ]"
2 73 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 74 SER 0.225 0.028 8 0 "[ . 1 . ]"
2 75 ARG 0.292 0.038 5 0 "[ . 1 . ]"
2 76 GLN 0.420 0.048 4 0 "[ . 1 . ]"
2 77 ILE 0.334 0.033 5 0 "[ . 1 . ]"
2 78 ILE 0.572 0.034 2 0 "[ . 1 . ]"
2 79 SER 0.044 0.019 4 0 "[ . 1 . ]"
2 80 HIS 2.841 0.089 5 0 "[ . 1 . ]"
2 81 TRP 3.396 0.114 5 0 "[ . 1 . ]"
2 82 LYS 1.572 0.114 5 0 "[ . 1 . ]"
2 83 ASN 0.118 0.022 12 0 "[ . 1 . ]"
2 84 CYS 0.367 0.038 3 0 "[ . 1 . ]"
2 85 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 86 ARG 1.247 0.195 13 0 "[ . 1 . ]"
2 87 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 88 ASP 0.075 0.031 12 0 "[ . 1 . ]"
2 89 CYS 0.075 0.031 12 0 "[ . 1 . ]"
2 90 PRO 0.158 0.061 2 0 "[ . 1 . ]"
2 91 VAL 1.396 0.061 2 0 "[ . 1 . ]"
2 92 CYS 0.203 0.041 2 0 "[ . 1 . ]"
2 93 LEU 0.448 0.045 15 0 "[ . 1 . ]"
2 94 PRO 0.000 0.000 . 0 "[ . 1 . ]"
2 95 LEU 2.818 0.133 12 0 "[ . 1 . ]"
2 96 LYS 0.042 0.034 5 0 "[ . 1 . ]"
2 97 ASN 2.931 0.160 13 0 "[ . 1 . ]"
2 98 ALA 0.015 0.015 13 0 "[ . 1 . ]"
2 99 GLY 0.000 0.000 . 0 "[ . 1 . ]"
2 100 ASP 0.012 0.012 8 0 "[ . 1 . ]"
2 101 LYS 0.012 0.012 8 0 "[ . 1 . ]"
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 4 ASP H 1 4 ASP HA 0.000 . 2.710 2.613 2.273 2.768 0.058 7 0 "[ . 1 . ]" 1
2 1 4 ASP HA 1 5 GLU H 0.000 . 2.740 2.351 2.140 2.672 . 0 0 "[ . 1 . ]" 1
3 1 4 ASP QB 1 5 GLU H 0.000 . 4.300 2.825 1.975 3.779 . 0 0 "[ . 1 . ]" 1
4 1 4 ASP QB 1 6 SER H 0.000 . 6.380 5.427 3.963 5.714 . 0 0 "[ . 1 . ]" 1
5 1 5 GLU H 1 5 GLU HB2 0.000 . 3.390 2.518 2.087 3.545 0.155 17 0 "[ . 1 . ]" 1
6 1 5 GLU H 1 5 GLU HB3 0.000 . 3.390 3.021 2.466 3.535 0.145 11 0 "[ . 1 . ]" 1
7 1 5 GLU H 1 5 GLU QB 0.000 . 3.070 2.328 2.061 2.636 . 0 0 "[ . 1 . ]" 1
8 1 5 GLU HA 1 6 SER H 0.000 . 2.830 2.338 2.157 2.998 0.168 2 0 "[ . 1 . ]" 1
9 1 5 GLU HB2 1 6 SER H 0.000 . 4.200 4.034 3.071 4.240 0.040 4 0 "[ . 1 . ]" 1
10 1 5 GLU HB3 1 6 SER H 0.000 . 4.200 3.395 2.619 4.119 . 0 0 "[ . 1 . ]" 1
11 1 5 GLU QB 1 6 SER H 0.000 . 3.800 3.172 2.585 3.617 . 0 0 "[ . 1 . ]" 1
12 1 5 GLU QG 1 6 SER H 0.000 . 6.380 2.823 1.979 4.799 . 0 0 "[ . 1 . ]" 1
13 1 6 SER HA 1 7 GLY H 0.000 . 2.800 2.303 2.153 2.696 . 0 0 "[ . 1 . ]" 1
14 1 7 GLY H 1 8 LEU H 0.000 . 3.210 2.520 1.976 3.215 0.005 5 0 "[ . 1 . ]" 1
15 1 8 LEU H 1 8 LEU HA 0.000 . 2.860 2.811 2.804 2.824 . 0 0 "[ . 1 . ]" 1
16 1 8 LEU H 1 8 LEU HB2 0.000 . 2.900 2.252 2.140 2.325 . 0 0 "[ . 1 . ]" 1
17 1 8 LEU H 1 8 LEU HB3 0.000 . 2.900 2.767 2.691 2.861 . 0 0 "[ . 1 . ]" 1
18 1 8 LEU H 1 8 LEU QB 0.000 . 2.700 2.155 2.083 2.194 . 0 0 "[ . 1 . ]" 1
19 1 8 LEU H 1 8 LEU HG 0.000 . 4.290 4.386 4.349 4.456 0.166 11 0 "[ . 1 . ]" 1
20 1 8 LEU H 1 9 PRO HD2 0.000 . 5.500 4.963 4.709 5.120 . 0 0 "[ . 1 . ]" 1
21 1 8 LEU H 1 9 PRO HD3 0.000 . 5.500 4.734 4.561 5.009 . 0 0 "[ . 1 . ]" 1
22 1 8 LEU H 1 9 PRO QD 0.000 . 4.910 4.290 4.262 4.322 . 0 0 "[ . 1 . ]" 1
23 1 8 LEU HA 1 9 PRO HD2 0.000 . 2.400 2.269 1.995 2.452 0.052 11 0 "[ . 1 . ]" 1
24 1 8 LEU HA 1 9 PRO HD3 0.000 . 2.400 2.213 2.024 2.488 0.088 10 0 "[ . 1 . ]" 1
25 1 8 LEU HA 2 70 HIS HE1 0.000 . 4.720 4.432 4.343 4.568 . 0 0 "[ . 1 . ]" 1
26 1 8 LEU HB2 2 70 HIS HE1 0.000 . 4.110 4.170 4.126 4.200 0.090 10 0 "[ . 1 . ]" 1
27 1 8 LEU HB3 2 70 HIS HE1 0.000 . 4.110 2.466 2.400 2.513 . 0 0 "[ . 1 . ]" 1
28 1 8 LEU QB 2 70 HIS HE1 0.000 . 3.820 2.449 2.385 2.494 . 0 0 "[ . 1 . ]" 1
29 1 8 LEU HG 2 70 HIS HE1 0.000 . 3.730 3.789 3.750 3.831 0.101 11 0 "[ . 1 . ]" 1
30 1 8 LEU MD1 1 9 PRO QB 0.000 . 7.400 4.846 3.004 5.562 . 0 0 "[ . 1 . ]" 1
31 1 8 LEU MD1 1 9 PRO HD2 0.000 . 6.090 3.019 1.884 3.619 . 0 0 "[ . 1 . ]" 1
32 1 8 LEU MD1 1 9 PRO HD3 0.000 . 6.090 4.070 3.285 4.567 . 0 0 "[ . 1 . ]" 1
33 1 8 LEU MD1 1 9 PRO QD 0.000 . 5.790 2.919 1.874 3.458 . 0 0 "[ . 1 . ]" 1
34 1 8 LEU MD1 2 22 LEU MD1 0.000 . 7.560 3.734 1.881 5.039 . 0 0 "[ . 1 . ]" 1
35 1 8 LEU MD1 2 22 LEU MD2 0.000 . 7.560 3.153 1.991 5.083 . 0 0 "[ . 1 . ]" 1
36 1 8 LEU MD1 2 22 LEU QD 0.000 . 7.280 2.644 1.876 3.287 . 0 0 "[ . 1 . ]" 1
37 1 8 LEU MD1 2 46 HIS QB 0.000 . 7.400 3.906 2.963 5.215 . 0 0 "[ . 1 . ]" 1
38 1 8 LEU MD1 2 46 HIS HD2 0.000 . 6.530 3.144 1.862 5.326 . 0 0 "[ . 1 . ]" 1
39 1 8 LEU MD1 2 49 THR MG 0.000 . 7.560 2.523 1.878 4.159 . 0 0 "[ . 1 . ]" 1
40 1 8 LEU MD1 2 50 MET ME 0.000 . 7.560 2.903 2.034 3.805 . 0 0 "[ . 1 . ]" 1
41 1 8 LEU MD1 2 70 HIS HD2 0.000 . 6.530 4.991 4.151 5.370 . 0 0 "[ . 1 . ]" 1
42 1 8 LEU MD1 2 70 HIS HE1 0.000 . 6.530 3.690 1.936 4.456 . 0 0 "[ . 1 . ]" 1
43 1 8 LEU MD2 1 9 PRO HB2 0.000 . 6.530 4.409 3.949 5.322 . 0 0 "[ . 1 . ]" 1
44 1 8 LEU MD2 1 9 PRO HB3 0.000 . 6.530 5.258 5.214 5.332 . 0 0 "[ . 1 . ]" 1
45 1 8 LEU MD2 1 9 PRO HD2 0.000 . 6.530 2.854 1.838 3.318 . 0 0 "[ . 1 . ]" 1
46 1 8 LEU MD2 1 9 PRO HD3 0.000 . 6.530 4.016 2.477 4.551 . 0 0 "[ . 1 . ]" 1
47 1 8 LEU MD2 2 22 LEU MD1 0.000 . 7.560 4.188 2.019 4.987 . 0 0 "[ . 1 . ]" 1
48 1 8 LEU MD2 2 22 LEU MD2 0.000 . 7.560 3.349 2.561 5.087 . 0 0 "[ . 1 . ]" 1
49 1 8 LEU MD2 2 46 HIS QB 0.000 . 7.400 4.589 2.652 5.204 . 0 0 "[ . 1 . ]" 1
50 1 8 LEU MD2 2 46 HIS HD2 0.000 . 6.530 3.770 2.349 5.150 . 0 0 "[ . 1 . ]" 1
51 1 8 LEU MD2 2 49 THR HB 0.000 . 6.530 3.824 2.109 5.017 . 0 0 "[ . 1 . ]" 1
52 1 8 LEU MD2 2 49 THR MG 0.000 . 7.560 3.128 2.168 3.888 . 0 0 "[ . 1 . ]" 1
53 1 8 LEU MD2 2 50 MET ME 0.000 . 7.560 2.711 1.746 4.275 . 0 0 "[ . 1 . ]" 1
54 1 8 LEU MD2 2 70 HIS HD2 0.000 . 6.530 4.438 3.912 5.504 . 0 0 "[ . 1 . ]" 1
55 1 8 LEU MD2 2 70 HIS HE1 0.000 . 6.530 2.706 1.931 4.458 . 0 0 "[ . 1 . ]" 1
56 1 9 PRO HA 1 10 GLN H 0.000 . 2.400 2.210 2.195 2.223 . 0 0 "[ . 1 . ]" 1
57 1 10 GLN H 1 10 GLN QB 0.000 . 3.680 2.553 2.304 2.645 . 0 0 "[ . 1 . ]" 1
58 1 10 GLN H 1 10 GLN QG 0.000 . 4.640 2.626 2.125 4.057 . 0 0 "[ . 1 . ]" 1
59 1 10 GLN H 2 70 HIS HE1 0.000 . 5.500 3.352 3.161 3.619 . 0 0 "[ . 1 . ]" 1
60 1 10 GLN HA 1 11 LEU H 0.000 . 2.770 2.224 2.144 2.387 . 0 0 "[ . 1 . ]" 1
61 1 10 GLN HA 2 70 HIS HE1 0.000 . 2.400 2.467 2.450 2.485 0.085 4 0 "[ . 1 . ]" 1
62 1 10 GLN HB2 2 70 HIS HE1 0.000 . 3.640 3.410 2.185 3.683 0.043 1 0 "[ . 1 . ]" 1
63 1 10 GLN HB3 2 70 HIS HE1 0.000 . 3.640 2.812 2.487 3.674 0.034 3 0 "[ . 1 . ]" 1
64 1 10 GLN QB 2 70 HIS H 0.000 . 6.380 4.065 3.313 5.103 . 0 0 "[ . 1 . ]" 1
65 1 10 GLN QB 2 70 HIS HE1 0.000 . 3.330 2.504 2.170 2.663 . 0 0 "[ . 1 . ]" 1
66 1 10 GLN QG 2 70 HIS HE1 0.000 . 5.040 4.261 3.599 4.574 . 0 0 "[ . 1 . ]" 1
67 1 10 GLN HE21 2 69 ALA MB 0.000 . 6.530 3.390 1.917 4.634 . 0 0 "[ . 1 . ]" 1
68 1 10 GLN HE22 2 69 ALA MB 0.000 . 6.530 3.555 2.465 5.166 . 0 0 "[ . 1 . ]" 1
69 1 11 LEU H 1 11 LEU HA 0.000 . 2.830 2.909 2.860 2.934 0.104 4 0 "[ . 1 . ]" 1
70 1 11 LEU H 1 11 LEU HB2 0.000 . 3.830 2.636 2.344 2.810 . 0 0 "[ . 1 . ]" 1
71 1 11 LEU H 1 11 LEU HB3 0.000 . 3.830 3.697 3.572 3.828 . 0 0 "[ . 1 . ]" 1
72 1 11 LEU H 1 11 LEU QB 0.000 . 3.480 2.581 2.314 2.743 . 0 0 "[ . 1 . ]" 1
73 1 11 LEU H 1 11 LEU HG 0.000 . 3.760 2.673 2.037 3.548 . 0 0 "[ . 1 . ]" 1
74 1 11 LEU HB2 1 16 CYS H 0.000 . 5.500 4.880 4.324 5.493 . 0 0 "[ . 1 . ]" 1
75 1 11 LEU HB3 1 16 CYS H 0.000 . 5.500 4.125 3.589 4.408 . 0 0 "[ . 1 . ]" 1
76 1 11 LEU QB 1 12 THR H 0.000 . 4.580 2.488 2.181 2.803 . 0 0 "[ . 1 . ]" 1
77 1 11 LEU HG 1 12 THR H 0.000 . 5.500 4.870 4.608 5.144 . 0 0 "[ . 1 . ]" 1
78 1 11 LEU MD1 1 12 THR H 0.000 . 6.530 4.537 4.097 4.828 . 0 0 "[ . 1 . ]" 1
79 1 11 LEU MD1 1 16 CYS H 0.000 . 6.530 4.730 4.354 5.271 . 0 0 "[ . 1 . ]" 1
80 1 11 LEU MD2 1 12 THR H 0.000 . 6.530 3.470 2.677 3.834 . 0 0 "[ . 1 . ]" 1
81 1 12 THR H 1 12 THR HB 0.000 . 2.430 2.512 2.502 2.525 0.095 3 0 "[ . 1 . ]" 1
82 1 12 THR H 1 13 SER H 0.000 . 5.500 4.576 4.565 4.587 . 0 0 "[ . 1 . ]" 1
83 1 12 THR H 1 15 ASP H 0.000 . 3.920 3.613 3.464 3.866 . 0 0 "[ . 1 . ]" 1
84 1 12 THR H 1 15 ASP HA 0.000 . 5.000 4.974 4.831 5.010 0.010 14 0 "[ . 1 . ]" 1
85 1 12 THR H 1 15 ASP HB2 0.000 . 3.640 2.348 1.987 2.968 . 0 0 "[ . 1 . ]" 1
86 1 12 THR H 1 15 ASP HB3 0.000 . 3.640 2.900 1.990 3.587 . 0 0 "[ . 1 . ]" 1
87 1 12 THR H 1 15 ASP QB 0.000 . 3.240 2.082 1.961 2.288 . 0 0 "[ . 1 . ]" 1
88 1 12 THR H 1 16 CYS H 0.000 . 4.940 4.261 3.586 4.566 . 0 0 "[ . 1 . ]" 1
89 1 12 THR HA 1 13 SER H 0.000 . 2.520 2.265 2.254 2.277 . 0 0 "[ . 1 . ]" 1
90 1 12 THR HA 1 14 TYR H 0.000 . 3.860 3.904 3.891 3.920 0.060 14 0 "[ . 1 . ]" 1
91 1 12 THR HB 1 14 TYR H 0.000 . 2.830 2.881 2.867 2.893 0.063 6 0 "[ . 1 . ]" 1
92 1 12 THR MG 1 13 SER H 0.000 . 6.530 2.005 1.961 2.078 . 0 0 "[ . 1 . ]" 1
93 1 12 THR MG 1 14 TYR H 0.000 . 6.530 1.980 1.944 2.126 . 0 0 "[ . 1 . ]" 1
94 1 12 THR MG 1 15 ASP H 0.000 . 6.530 2.929 2.636 3.326 . 0 0 "[ . 1 . ]" 1
95 1 12 THR O 1 16 CYS N 0.000 . 3.300 3.051 2.785 3.162 . 0 0 "[ . 1 . ]" 1
96 1 12 THR O 1 16 CYS H 0.000 . 2.300 2.189 1.891 2.308 0.008 7 0 "[ . 1 . ]" 1
97 1 13 SER H 1 13 SER HA 0.000 . 2.520 2.716 2.706 2.728 0.208 10 0 "[ . 1 . ]" 1
98 1 13 SER H 1 13 SER QB 0.000 . 3.710 2.468 2.109 2.832 . 0 0 "[ . 1 . ]" 1
99 1 13 SER H 1 14 TYR H 0.000 . 3.210 2.799 2.769 2.826 . 0 0 "[ . 1 . ]" 1
100 1 13 SER H 2 72 ALA MB 0.000 . 6.530 4.993 3.989 5.341 . 0 0 "[ . 1 . ]" 1
101 1 13 SER QB 1 14 TYR H 0.000 . 4.180 3.240 2.999 3.638 . 0 0 "[ . 1 . ]" 1
102 1 14 TYR H 1 14 TYR HA 0.000 . 2.930 2.920 2.895 2.934 0.004 3 0 "[ . 1 . ]" 1
103 1 14 TYR H 1 14 TYR HB2 0.000 . 2.740 2.604 2.456 2.736 . 0 0 "[ . 1 . ]" 1
104 1 14 TYR H 1 14 TYR HB3 0.000 . 2.740 2.684 2.506 2.753 0.013 6 0 "[ . 1 . ]" 1
105 1 14 TYR H 1 15 ASP H 0.000 . 5.500 2.316 2.213 2.437 . 0 0 "[ . 1 . ]" 1
106 1 14 TYR HA 1 17 GLU H 0.000 . 3.140 3.171 3.157 3.188 0.048 3 0 "[ . 1 . ]" 1
107 1 14 TYR HA 1 18 VAL H 0.000 . 3.520 3.502 3.303 3.538 0.018 16 0 "[ . 1 . ]" 1
108 1 14 TYR QB 1 15 ASP H 0.000 . 3.960 2.457 2.249 2.556 . 0 0 "[ . 1 . ]" 1
109 1 14 TYR QB 1 18 VAL H 0.000 . 6.380 4.761 4.630 4.891 . 0 0 "[ . 1 . ]" 1
110 1 14 TYR QD 1 15 ASP H 0.000 . 7.640 4.068 3.709 4.331 . 0 0 "[ . 1 . ]" 1
111 1 14 TYR QD 1 18 VAL MG1 0.000 . 8.670 4.514 4.322 4.677 . 0 0 "[ . 1 . ]" 1
112 1 14 TYR QD 1 18 VAL MG2 0.000 . 8.670 2.618 2.478 2.682 . 0 0 "[ . 1 . ]" 1
113 1 14 TYR QE 1 18 VAL MG1 0.000 . 8.660 3.797 3.653 3.935 . 0 0 "[ . 1 . ]" 1
114 1 14 TYR QE 1 18 VAL MG2 0.000 . 8.660 2.566 2.379 2.673 . 0 0 "[ . 1 . ]" 1
115 1 14 TYR O 1 18 VAL N 0.000 . 3.300 2.700 2.619 2.769 . 0 0 "[ . 1 . ]" 1
116 1 14 TYR O 1 18 VAL H 0.000 . 2.300 1.727 1.647 1.797 . 0 0 "[ . 1 . ]" 1
117 1 15 ASP H 1 15 ASP HA 0.000 . 2.830 2.768 2.748 2.784 . 0 0 "[ . 1 . ]" 1
118 1 15 ASP H 1 16 CYS H 0.000 . 2.990 2.739 2.699 2.801 . 0 0 "[ . 1 . ]" 1
119 1 15 ASP H 1 17 GLU H 0.000 . 4.790 4.426 4.310 4.536 . 0 0 "[ . 1 . ]" 1
120 1 15 ASP HA 1 16 CYS H 0.000 . 3.520 3.461 3.445 3.475 . 0 0 "[ . 1 . ]" 1
121 1 15 ASP HA 1 19 ASN H 0.000 . 4.010 4.035 4.027 4.049 0.039 9 0 "[ . 1 . ]" 1
122 1 15 ASP QB 1 16 CYS H 0.000 . 3.990 2.931 2.840 2.996 . 0 0 "[ . 1 . ]" 1
123 1 16 CYS H 1 16 CYS HA 0.000 . 2.860 2.895 2.884 2.912 0.052 15 0 "[ . 1 . ]" 1
124 1 16 CYS H 1 16 CYS HB2 0.000 . 2.650 2.456 2.414 2.525 . 0 0 "[ . 1 . ]" 1
125 1 16 CYS H 1 16 CYS HB3 0.000 . 2.650 2.699 2.665 2.724 0.074 14 0 "[ . 1 . ]" 1
126 1 16 CYS H 1 17 GLU H 0.000 . 2.620 2.393 2.301 2.494 . 0 0 "[ . 1 . ]" 1
127 1 16 CYS HA 1 19 ASN H 0.000 . 3.550 3.582 3.568 3.594 0.044 6 0 "[ . 1 . ]" 1
128 1 16 CYS HA 2 16 ILE MD 0.000 . 4.420 3.251 2.769 3.527 . 0 0 "[ . 1 . ]" 1
129 1 16 CYS HB2 1 17 GLU H 0.000 . 3.480 3.544 3.533 3.555 0.075 5 0 "[ . 1 . ]" 1
130 1 16 CYS HB3 1 17 GLU H 0.000 . 3.480 2.369 2.276 2.461 . 0 0 "[ . 1 . ]" 1
131 1 16 CYS QB 1 17 GLU H 0.000 . 3.290 2.335 2.250 2.419 . 0 0 "[ . 1 . ]" 1
132 1 16 CYS O 1 20 ALA N 0.000 . 3.300 2.586 2.520 2.971 . 0 0 "[ . 1 . ]" 1
133 1 16 CYS O 1 20 ALA H 0.000 . 2.300 1.787 1.641 2.189 . 0 0 "[ . 1 . ]" 1
134 1 17 GLU H 1 17 GLU HA 0.000 . 2.830 2.797 2.786 2.810 . 0 0 "[ . 1 . ]" 1
135 1 17 GLU H 1 17 GLU HB2 0.000 . 2.930 2.145 2.116 2.160 . 0 0 "[ . 1 . ]" 1
136 1 17 GLU H 1 17 GLU HB3 0.000 . 2.930 2.959 2.949 2.985 0.055 5 0 "[ . 1 . ]" 1
137 1 17 GLU H 1 17 GLU QB 0.000 . 2.620 2.097 2.074 2.108 . 0 0 "[ . 1 . ]" 1
138 1 17 GLU H 1 17 GLU QG 0.000 . 4.610 3.767 3.703 3.949 . 0 0 "[ . 1 . ]" 1
139 1 17 GLU H 1 18 VAL H 0.000 . 3.050 2.725 2.673 2.782 . 0 0 "[ . 1 . ]" 1
140 1 17 GLU H 1 18 VAL QG 0.000 . 7.620 3.983 3.916 4.142 . 0 0 "[ . 1 . ]" 1
141 1 17 GLU H 1 19 ASN H 0.000 . 5.000 4.253 4.199 4.304 . 0 0 "[ . 1 . ]" 1
142 1 17 GLU H 1 20 ALA H 0.000 . 4.790 4.532 4.445 4.769 . 0 0 "[ . 1 . ]" 1
143 1 17 GLU HB2 1 18 VAL H 0.000 . 3.420 3.452 3.444 3.462 0.042 5 0 "[ . 1 . ]" 1
144 1 17 GLU HB3 1 18 VAL H 0.000 . 3.420 2.566 2.508 2.675 . 0 0 "[ . 1 . ]" 1
145 1 17 GLU QB 1 18 VAL H 0.000 . 3.100 2.500 2.451 2.590 . 0 0 "[ . 1 . ]" 1
146 1 18 VAL H 1 18 VAL HA 0.000 . 2.930 2.817 2.804 2.840 . 0 0 "[ . 1 . ]" 1
147 1 18 VAL H 1 18 VAL HB 0.000 . 2.650 2.636 2.599 2.670 0.020 10 0 "[ . 1 . ]" 1
148 1 18 VAL H 1 19 ASN H 0.000 . 2.740 2.712 2.657 2.748 0.008 10 0 "[ . 1 . ]" 1
149 1 18 VAL H 1 20 ALA H 0.000 . 4.140 3.883 3.791 4.002 . 0 0 "[ . 1 . ]" 1
150 1 18 VAL HB 1 19 ASN H 0.000 . 2.990 2.517 2.430 2.628 . 0 0 "[ . 1 . ]" 1
151 1 18 VAL HB 1 19 ASN HD21 0.000 . 5.500 3.826 3.792 3.882 . 0 0 "[ . 1 . ]" 1
152 1 18 VAL HB 1 19 ASN HD22 0.000 . 5.500 5.503 5.488 5.509 0.009 15 0 "[ . 1 . ]" 1
153 1 18 VAL MG1 1 19 ASN H 0.000 . 6.530 3.544 3.453 3.629 . 0 0 "[ . 1 . ]" 1
154 1 18 VAL MG1 1 19 ASN HA 0.000 . 6.030 3.633 3.484 3.741 . 0 0 "[ . 1 . ]" 1
155 1 18 VAL MG1 1 19 ASN HD21 0.000 . 6.530 3.772 3.378 3.997 . 0 0 "[ . 1 . ]" 1
156 1 18 VAL MG1 1 19 ASN HD22 0.000 . 6.530 4.905 4.625 5.061 . 0 0 "[ . 1 . ]" 1
157 1 18 VAL MG1 2 7 THR HA 0.000 . 6.470 4.836 4.222 5.260 . 0 0 "[ . 1 . ]" 1
158 1 18 VAL MG1 2 8 ALA H 0.000 . 6.530 4.287 3.482 4.786 . 0 0 "[ . 1 . ]" 1
159 1 18 VAL MG1 2 8 ALA HA 0.000 . 4.950 2.909 2.383 3.651 . 0 0 "[ . 1 . ]" 1
160 1 18 VAL MG1 2 8 ALA MB 0.000 . 6.630 2.593 1.713 3.882 . 0 0 "[ . 1 . ]" 1
161 1 18 VAL MG1 2 9 ASP H 0.000 . 6.530 4.472 3.923 5.241 . 0 0 "[ . 1 . ]" 1
162 1 18 VAL MG2 2 6 HIS HA 0.000 . 6.530 4.829 3.859 5.269 . 0 0 "[ . 1 . ]" 1
163 1 19 ASN H 1 19 ASN HB2 0.000 . 3.170 2.128 2.082 2.188 . 0 0 "[ . 1 . ]" 1
164 1 19 ASN H 1 19 ASN HB3 0.000 . 3.170 3.173 3.148 3.196 0.026 3 0 "[ . 1 . ]" 1
165 1 19 ASN H 1 19 ASN QB 0.000 . 2.920 2.097 2.057 2.150 . 0 0 "[ . 1 . ]" 1
166 1 19 ASN H 1 19 ASN HD21 0.000 . 5.410 3.449 3.286 3.595 . 0 0 "[ . 1 . ]" 1
167 1 19 ASN H 1 19 ASN HD22 0.000 . 5.410 4.994 4.867 5.114 . 0 0 "[ . 1 . ]" 1
168 1 19 ASN H 1 19 ASN QD 0.000 . 4.780 3.390 3.237 3.528 . 0 0 "[ . 1 . ]" 1
169 1 19 ASN H 1 20 ALA H 0.000 . 2.680 2.470 2.357 2.587 . 0 0 "[ . 1 . ]" 1
170 1 19 ASN H 1 20 ALA MB 0.000 . 6.530 4.483 4.346 4.579 . 0 0 "[ . 1 . ]" 1
171 1 19 ASN HA 1 20 ALA H 0.000 . 3.480 3.468 3.422 3.519 0.039 5 0 "[ . 1 . ]" 1
172 1 19 ASN HA 2 8 ALA MB 0.000 . 6.530 4.129 3.149 5.162 . 0 0 "[ . 1 . ]" 1
173 1 19 ASN HB2 1 20 ALA H 0.000 . 3.670 3.515 3.342 3.673 0.003 4 0 "[ . 1 . ]" 1
174 1 19 ASN HB2 2 16 ILE MD 0.000 . 4.570 2.509 2.098 3.314 . 0 0 "[ . 1 . ]" 1
175 1 19 ASN HB3 1 20 ALA H 0.000 . 3.670 3.229 2.947 3.419 . 0 0 "[ . 1 . ]" 1
176 1 19 ASN HB3 2 16 ILE MD 0.000 . 4.570 2.094 1.855 3.470 . 0 0 "[ . 1 . ]" 1
177 1 19 ASN QB 1 20 ALA H 0.000 . 3.420 2.985 2.763 3.137 . 0 0 "[ . 1 . ]" 1
178 1 19 ASN QD 2 9 ASP H 0.000 . 5.970 3.449 2.847 4.014 . 0 0 "[ . 1 . ]" 1
179 1 20 ALA H 1 20 ALA HA 0.000 . 2.860 2.876 2.831 2.926 0.066 5 0 "[ . 1 . ]" 1
180 1 20 ALA H 1 21 PRO HD2 0.000 . 4.350 4.352 4.285 4.372 0.022 2 0 "[ . 1 . ]" 1
181 1 20 ALA H 1 21 PRO HD3 0.000 . 4.350 3.133 2.965 3.345 . 0 0 "[ . 1 . ]" 1
182 1 20 ALA H 1 21 PRO QD 0.000 . 3.930 3.064 2.919 3.244 . 0 0 "[ . 1 . ]" 1
183 1 20 ALA HA 1 21 PRO HD2 0.000 . 2.400 2.349 2.188 2.501 0.101 5 0 "[ . 1 . ]" 1
184 1 20 ALA HA 1 21 PRO HD3 0.000 . 2.400 2.368 2.305 2.434 0.034 4 0 "[ . 1 . ]" 1
185 1 20 ALA HA 2 80 HIS HE1 0.000 . 3.980 2.814 2.668 3.128 . 0 0 "[ . 1 . ]" 1
186 1 20 ALA MB 2 80 HIS HE1 0.000 . 6.530 2.904 2.439 3.617 . 0 0 "[ . 1 . ]" 1
187 1 21 PRO HA 1 22 ILE H 0.000 . 2.520 2.393 2.224 2.480 . 0 0 "[ . 1 . ]" 1
188 1 21 PRO HB2 1 22 ILE H 0.000 . 3.450 2.629 2.389 3.455 0.005 5 0 "[ . 1 . ]" 1
189 1 21 PRO HB3 1 22 ILE H 0.000 . 3.450 3.453 2.999 3.507 0.057 1 0 "[ . 1 . ]" 1
190 1 21 PRO QG 2 80 HIS HE1 0.000 . 5.570 4.712 4.348 4.949 . 0 0 "[ . 1 . ]" 1
191 1 21 PRO HD2 2 80 HIS HE1 0.000 . 4.350 3.033 2.814 3.198 . 0 0 "[ . 1 . ]" 1
192 1 21 PRO HD3 2 80 HIS HE1 0.000 . 4.350 4.362 4.300 4.382 0.032 11 0 "[ . 1 . ]" 1
193 1 21 PRO QD 2 80 HIS HE1 0.000 . 3.930 2.978 2.781 3.123 . 0 0 "[ . 1 . ]" 1
194 1 22 ILE H 1 22 ILE HB 0.000 . 2.620 2.594 2.415 2.655 0.035 12 0 "[ . 1 . ]" 1
195 1 22 ILE H 1 23 GLN H 0.000 . 5.500 2.214 1.973 2.367 . 0 0 "[ . 1 . ]" 1
196 1 22 ILE HA 2 80 HIS HA 0.000 . 2.400 2.429 2.344 2.468 0.068 12 0 "[ . 1 . ]" 1
197 1 22 ILE HB 1 23 GLN H 0.000 . 3.300 3.322 3.298 3.354 0.054 13 0 "[ . 1 . ]" 1
198 1 22 ILE HB 1 24 GLY H 0.000 . 5.500 3.619 3.286 4.200 . 0 0 "[ . 1 . ]" 1
199 1 22 ILE HB 1 27 ASN HB2 0.000 . 5.500 4.623 3.924 5.194 . 0 0 "[ . 1 . ]" 1
200 1 22 ILE HB 1 27 ASN HB3 0.000 . 5.500 5.556 5.524 5.605 0.105 5 0 "[ . 1 . ]" 1
201 1 22 ILE MG 1 23 GLN H 0.000 . 6.530 3.986 3.771 4.068 . 0 0 "[ . 1 . ]" 1
202 1 22 ILE MG 1 24 GLY H 0.000 . 6.530 4.135 2.935 4.570 . 0 0 "[ . 1 . ]" 1
203 1 22 ILE MG 2 83 ASN HB2 0.000 . 6.280 2.349 1.950 2.999 . 0 0 "[ . 1 . ]" 1
204 1 22 ILE MG 2 83 ASN HB3 0.000 . 6.280 1.936 1.809 2.225 . 0 0 "[ . 1 . ]" 1
205 1 22 ILE MG 2 83 ASN QB 0.000 . 5.990 1.822 1.728 1.950 . 0 0 "[ . 1 . ]" 1
206 1 22 ILE QG 1 23 GLN H 0.000 . 6.380 4.143 3.998 4.561 . 0 0 "[ . 1 . ]" 1
207 1 22 ILE QG 2 80 HIS HA 0.000 . 4.050 2.017 1.848 2.299 . 0 0 "[ . 1 . ]" 1
208 1 22 ILE MD 1 23 GLN H 0.000 . 6.530 4.998 4.152 5.220 . 0 0 "[ . 1 . ]" 1
209 1 22 ILE MD 1 24 GLY H 0.000 . 6.530 5.308 5.114 5.385 . 0 0 "[ . 1 . ]" 1
210 1 22 ILE MD 1 26 ARG HA 0.000 . 3.830 3.003 2.726 3.104 . 0 0 "[ . 1 . ]" 1
211 1 22 ILE MD 1 27 ASN HB2 0.000 . 6.530 2.531 1.897 3.578 . 0 0 "[ . 1 . ]" 1
212 1 22 ILE MD 1 27 ASN HB3 0.000 . 6.530 2.751 2.410 3.413 . 0 0 "[ . 1 . ]" 1
213 1 22 ILE MD 2 76 GLN H 0.000 . 6.530 5.087 4.618 5.356 . 0 0 "[ . 1 . ]" 1
214 1 22 ILE MD 2 76 GLN HA 0.000 . 4.610 2.642 2.121 2.968 . 0 0 "[ . 1 . ]" 1
215 1 22 ILE MD 2 80 HIS HA 0.000 . 4.140 3.454 3.362 3.557 . 0 0 "[ . 1 . ]" 1
216 1 22 ILE MD 2 83 ASN HD21 0.000 . 6.530 4.357 3.433 5.043 . 0 0 "[ . 1 . ]" 1
217 1 22 ILE MD 2 83 ASN HD22 0.000 . 6.530 5.167 4.644 5.459 . 0 0 "[ . 1 . ]" 1
218 1 23 GLN H 1 23 GLN HA 0.000 . 2.400 2.284 2.271 2.296 . 0 0 "[ . 1 . ]" 1
219 1 23 GLN H 1 23 GLN QB 0.000 . 3.830 3.190 3.040 3.499 . 0 0 "[ . 1 . ]" 1
220 1 23 GLN HB2 1 23 GLN HE22 0.000 . 5.500 4.006 3.239 4.962 . 0 0 "[ . 1 . ]" 1
221 1 23 GLN HB3 1 23 GLN HE22 0.000 . 5.500 4.227 3.653 5.115 . 0 0 "[ . 1 . ]" 1
222 1 23 GLN QB 1 24 GLY H 0.000 . 4.240 3.672 2.009 3.956 . 0 0 "[ . 1 . ]" 1
223 1 23 GLN QG 1 24 GLY H 0.000 . 6.160 4.305 3.495 4.518 . 0 0 "[ . 1 . ]" 1
224 1 23 GLN HE21 2 85 THR MG 0.000 . 6.530 4.587 2.600 5.427 . 0 0 "[ . 1 . ]" 1
225 1 23 GLN HE22 2 85 THR MG 0.000 . 6.530 4.290 2.005 5.338 . 0 0 "[ . 1 . ]" 1
226 1 23 GLN QE 2 85 THR H 0.000 . 6.370 3.936 2.432 5.545 . 0 0 "[ . 1 . ]" 1
227 1 24 GLY H 1 24 GLY HA2 0.000 . 2.830 2.486 2.296 2.875 0.045 16 0 "[ . 1 . ]" 1
228 1 24 GLY H 1 24 GLY HA3 0.000 . 2.830 2.776 2.301 2.875 0.045 2 0 "[ . 1 . ]" 1
229 1 24 GLY H 1 24 GLY QA 0.000 . 2.600 2.286 2.197 2.487 . 0 0 "[ . 1 . ]" 1
230 1 24 GLY H 1 25 SER H 0.000 . 5.500 4.381 4.188 4.540 . 0 0 "[ . 1 . ]" 1
231 1 24 GLY HA2 1 25 SER H 0.000 . 3.020 2.433 2.207 2.675 . 0 0 "[ . 1 . ]" 1
232 1 24 GLY HA3 1 25 SER H 0.000 . 3.020 2.736 2.462 3.037 0.017 6 0 "[ . 1 . ]" 1
233 1 24 GLY QA 1 25 SER H 0.000 . 2.830 2.244 2.157 2.293 . 0 0 "[ . 1 . ]" 1
234 1 25 SER H 1 25 SER HA 0.000 . 2.800 2.480 2.267 2.790 . 0 0 "[ . 1 . ]" 1
235 1 25 SER H 1 26 ARG H 0.000 . 3.390 3.299 2.877 3.483 0.093 13 0 "[ . 1 . ]" 1
236 1 26 ARG H 1 26 ARG HB2 0.000 . 3.210 2.946 2.436 3.465 0.255 10 0 "[ . 1 . ]" 1
237 1 26 ARG H 1 26 ARG HB3 0.000 . 3.210 3.260 2.894 3.486 0.276 3 0 "[ . 1 . ]" 1
238 1 26 ARG H 1 26 ARG QB 0.000 . 2.880 2.693 2.373 2.912 0.032 1 0 "[ . 1 . ]" 1
239 1 26 ARG H 1 26 ARG QG 0.000 . 4.580 2.775 1.752 4.174 . 0 0 "[ . 1 . ]" 1
240 1 26 ARG H 1 27 ASN H 0.000 . 5.500 4.462 4.241 4.611 . 0 0 "[ . 1 . ]" 1
241 1 26 ARG HA 1 27 ASN H 0.000 . 2.550 2.479 2.258 2.705 0.155 9 0 "[ . 1 . ]" 1
242 1 26 ARG HB2 1 27 ASN H 0.000 . 3.270 3.259 2.620 3.473 0.203 15 0 "[ . 1 . ]" 1
243 1 26 ARG HB3 1 27 ASN H 0.000 . 3.270 2.578 1.962 3.345 0.075 10 0 "[ . 1 . ]" 1
244 1 26 ARG QB 1 27 ASN H 0.000 . 3.020 2.377 1.951 2.815 . 0 0 "[ . 1 . ]" 1
245 1 26 ARG QG 1 27 ASN H 0.000 . 5.660 3.467 1.956 4.524 . 0 0 "[ . 1 . ]" 1
246 1 26 ARG QD 1 27 ASN H 0.000 . 6.380 4.343 3.183 5.248 . 0 0 "[ . 1 . ]" 1
247 1 27 ASN H 1 27 ASN HA 0.000 . 2.830 2.901 2.846 2.931 0.101 4 0 "[ . 1 . ]" 1
248 1 27 ASN H 1 27 ASN HB2 0.000 . 3.170 3.074 2.761 3.251 0.081 2 0 "[ . 1 . ]" 1
249 1 27 ASN H 1 27 ASN HB3 0.000 . 3.170 2.391 2.119 2.823 . 0 0 "[ . 1 . ]" 1
250 1 27 ASN H 1 27 ASN QB 0.000 . 2.800 2.305 2.083 2.631 . 0 0 "[ . 1 . ]" 1
251 1 27 ASN HA 1 28 LEU H 0.000 . 2.520 2.430 2.393 2.474 . 0 0 "[ . 1 . ]" 1
252 1 27 ASN HB2 1 28 LEU H 0.000 . 3.700 3.554 3.320 3.758 0.058 17 0 "[ . 1 . ]" 1
253 1 27 ASN HB3 1 28 LEU H 0.000 . 3.700 3.688 3.361 3.815 0.115 8 0 "[ . 1 . ]" 1
254 1 27 ASN QB 1 28 LEU H 0.000 . 3.410 3.209 3.123 3.272 . 0 0 "[ . 1 . ]" 1
255 1 28 LEU H 1 28 LEU HA 0.000 . 2.740 2.797 2.703 2.846 0.106 8 0 "[ . 1 . ]" 1
256 1 28 LEU H 1 28 LEU HB2 0.000 . 3.110 2.090 2.000 3.316 0.206 16 0 "[ . 1 . ]" 1
257 1 28 LEU H 1 28 LEU HB3 0.000 . 3.110 3.307 3.241 3.326 0.216 8 0 "[ . 1 . ]" 1
258 1 28 LEU H 1 28 LEU HG 0.000 . 3.170 3.155 1.825 3.247 0.077 3 0 "[ . 1 . ]" 1
259 1 28 LEU HB2 1 29 LEU H 0.000 . 3.580 2.593 2.191 2.786 . 0 0 "[ . 1 . ]" 1
260 1 28 LEU HB3 1 29 LEU H 0.000 . 3.580 2.410 1.939 3.593 0.013 16 0 "[ . 1 . ]" 1
261 1 28 LEU QB 1 29 LEU H 0.000 . 3.250 2.160 1.886 2.509 . 0 0 "[ . 1 . ]" 1
262 1 29 LEU H 1 29 LEU HB2 0.000 . 3.300 3.374 3.306 3.532 0.232 11 0 "[ . 1 . ]" 1
263 1 29 LEU H 1 29 LEU HB3 0.000 . 3.300 3.248 2.818 3.384 0.084 9 0 "[ . 1 . ]" 1
264 1 29 LEU H 1 29 LEU HG 0.000 . 2.930 2.214 1.738 3.285 0.355 8 0 "[ . 1 . ]" 1
265 1 29 LEU H 1 30 GLN H 0.000 . 5.500 4.575 4.541 4.601 . 0 0 "[ . 1 . ]" 1
266 1 29 LEU HB2 1 30 GLN H 0.000 . 3.480 3.302 2.749 3.470 . 0 0 "[ . 1 . ]" 1
267 1 29 LEU HB3 1 30 GLN H 0.000 . 3.480 3.494 3.407 3.588 0.108 11 0 "[ . 1 . ]" 1
268 1 29 LEU QB 1 30 GLN H 0.000 . 3.230 3.009 2.666 3.065 . 0 0 "[ . 1 . ]" 1
269 1 29 LEU QB 1 33 GLU H 0.000 . 6.380 4.700 4.563 4.790 . 0 0 "[ . 1 . ]" 1
270 1 29 LEU QB 1 38 LEU H 0.000 . 4.270 3.960 3.898 4.041 . 0 0 "[ . 1 . ]" 1
271 1 29 LEU MD1 1 37 ALA MB 0.000 . 6.970 2.025 1.684 3.652 . 0 0 "[ . 1 . ]" 1
272 1 29 LEU MD2 1 33 GLU QB 0.000 . 7.400 3.851 3.085 4.658 . 0 0 "[ . 1 . ]" 1
273 1 29 LEU QD 1 30 GLN H 0.000 . 7.630 4.151 3.639 4.311 . 0 0 "[ . 1 . ]" 1
274 1 29 LEU QD 1 33 GLU H 0.000 . 7.630 5.634 5.456 5.742 . 0 0 "[ . 1 . ]" 1
275 1 30 GLN H 1 30 GLN HB2 0.000 . 3.170 2.988 2.726 3.280 0.110 11 0 "[ . 1 . ]" 1
276 1 30 GLN H 1 30 GLN HB3 0.000 . 3.170 3.009 2.644 3.284 0.114 3 0 "[ . 1 . ]" 1
277 1 30 GLN H 1 30 GLN QG 0.000 . 4.390 4.064 4.023 4.092 . 0 0 "[ . 1 . ]" 1
278 1 30 GLN H 1 31 GLY H 0.000 . 4.040 2.702 1.996 3.133 . 0 0 "[ . 1 . ]" 1
279 1 30 GLN H 1 33 GLU H 0.000 . 3.730 3.277 3.114 3.564 . 0 0 "[ . 1 . ]" 1
280 1 30 GLN HA 1 34 LEU HG 0.000 . 3.050 2.607 2.170 3.070 0.020 11 0 "[ . 1 . ]" 1
281 1 30 GLN HA 1 34 LEU MD1 0.000 . 5.850 2.732 2.276 3.301 . 0 0 "[ . 1 . ]" 1
282 1 30 GLN HA 1 34 LEU MD2 0.000 . 5.850 3.923 3.587 4.333 . 0 0 "[ . 1 . ]" 1
283 1 30 GLN HA 1 34 LEU QD 0.000 . 5.050 2.678 2.258 3.204 . 0 0 "[ . 1 . ]" 1
284 1 30 GLN HB2 1 31 GLY H 0.000 . 3.300 3.211 2.939 3.401 0.101 6 0 "[ . 1 . ]" 1
285 1 30 GLN HB3 1 31 GLY H 0.000 . 3.300 1.983 1.805 2.669 . 0 0 "[ . 1 . ]" 1
286 1 30 GLN QB 1 31 GLY H 0.000 . 3.110 1.957 1.798 2.560 . 0 0 "[ . 1 . ]" 1
287 1 30 GLN QG 1 31 GLY H 0.000 . 6.380 3.197 1.990 4.350 . 0 0 "[ . 1 . ]" 1
288 1 30 GLN HE21 2 63 GLY HA2 0.000 . 7.250 4.837 2.952 6.874 . 0 0 "[ . 1 . ]" 1
289 1 30 GLN HE21 2 63 GLY HA3 0.000 . 7.250 5.413 2.925 7.063 . 0 0 "[ . 1 . ]" 1
290 1 30 GLN HE22 2 63 GLY HA2 0.000 . 7.250 4.629 2.685 6.532 . 0 0 "[ . 1 . ]" 1
291 1 30 GLN HE22 2 63 GLY HA3 0.000 . 7.250 5.004 2.758 7.192 . 0 0 "[ . 1 . ]" 1
292 1 30 GLN QE 2 63 GLY QA 0.000 . 6.320 3.676 2.476 4.899 . 0 0 "[ . 1 . ]" 1
293 1 31 GLY H 1 31 GLY HA2 0.000 . 2.710 2.887 2.843 2.926 0.216 12 0 "[ . 1 . ]" 1
294 1 31 GLY H 1 31 GLY HA3 0.000 . 2.710 2.364 2.299 2.566 . 0 0 "[ . 1 . ]" 1
295 1 31 GLY H 1 32 GLU H 0.000 . 5.500 3.150 2.542 3.438 . 0 0 "[ . 1 . ]" 1
296 1 31 GLY H 1 34 LEU QD 0.000 . 8.100 4.372 3.713 4.592 . 0 0 "[ . 1 . ]" 1
297 1 31 GLY HA2 2 58 THR HA 0.000 . 2.560 2.173 1.964 2.459 . 0 0 "[ . 1 . ]" 1
298 1 31 GLY HA3 2 58 THR HA 0.000 . 2.560 2.578 2.530 2.600 0.040 6 0 "[ . 1 . ]" 1
299 1 31 GLY QA 2 58 THR HA 0.000 . 2.320 2.057 1.908 2.221 . 0 0 "[ . 1 . ]" 1
300 1 32 GLU H 1 33 GLU H 0.000 . 3.020 2.455 2.285 2.631 . 0 0 "[ . 1 . ]" 1
301 1 32 GLU H 1 34 LEU H 0.000 . 5.500 4.012 3.675 4.233 . 0 0 "[ . 1 . ]" 1
302 1 32 GLU HA 1 35 LEU H 0.000 . 3.420 3.453 3.430 3.480 0.060 7 0 "[ . 1 . ]" 1
303 1 32 GLU HA 1 35 LEU QB 0.000 . 4.950 3.814 3.563 4.018 . 0 0 "[ . 1 . ]" 1
304 1 32 GLU HA 1 35 LEU HG 0.000 . 2.960 2.680 2.429 2.965 0.005 4 0 "[ . 1 . ]" 1
305 1 32 GLU HA 1 35 LEU MD1 0.000 . 5.500 2.987 2.648 3.508 . 0 0 "[ . 1 . ]" 1
306 1 32 GLU QB 1 33 GLU H 0.000 . 3.900 3.112 2.859 3.592 . 0 0 "[ . 1 . ]" 1
307 1 32 GLU O 1 36 ARG N 0.000 . 3.300 3.197 3.052 3.303 0.003 12 0 "[ . 1 . ]" 1
308 1 32 GLU O 1 36 ARG H 0.000 . 2.300 2.267 2.137 2.356 0.056 12 0 "[ . 1 . ]" 1
309 1 33 GLU H 1 33 GLU HG2 0.000 . 3.140 2.864 2.205 3.150 0.010 7 0 "[ . 1 . ]" 1
310 1 33 GLU H 1 33 GLU HG3 0.000 . 3.140 2.767 2.034 3.150 0.010 2 0 "[ . 1 . ]" 1
311 1 33 GLU H 1 33 GLU QG 0.000 . 2.940 2.434 2.008 2.741 . 0 0 "[ . 1 . ]" 1
312 1 33 GLU H 1 34 LEU H 0.000 . 2.800 2.433 2.367 2.503 . 0 0 "[ . 1 . ]" 1
313 1 33 GLU H 1 35 LEU H 0.000 . 4.140 4.161 4.082 4.191 0.051 9 0 "[ . 1 . ]" 1
314 1 33 GLU HA 1 34 LEU H 0.000 . 3.240 3.414 3.373 3.439 0.199 2 0 "[ . 1 . ]" 1
315 1 33 GLU HA 1 36 ARG H 0.000 . 3.080 3.089 2.988 3.127 0.047 6 0 "[ . 1 . ]" 1
316 1 33 GLU HA 1 37 ALA H 0.000 . 3.700 3.614 3.519 3.723 0.023 5 0 "[ . 1 . ]" 1
317 1 33 GLU O 1 37 ALA N 0.000 . 3.300 2.565 2.516 2.624 . 0 0 "[ . 1 . ]" 1
318 1 33 GLU O 1 37 ALA H 0.000 . 2.300 1.764 1.688 1.841 . 0 0 "[ . 1 . ]" 1
319 1 34 LEU H 1 34 LEU HB2 0.000 . 3.080 2.005 1.998 2.013 . 0 0 "[ . 1 . ]" 1
320 1 34 LEU H 1 34 LEU HB3 0.000 . 3.080 3.274 3.264 3.284 0.204 15 0 "[ . 1 . ]" 1
321 1 34 LEU H 1 34 LEU QB 0.000 . 2.770 1.988 1.981 1.996 . 0 0 "[ . 1 . ]" 1
322 1 34 LEU H 1 34 LEU HG 0.000 . 3.240 3.349 3.319 3.370 0.130 6 0 "[ . 1 . ]" 1
323 1 34 LEU H 1 35 LEU H 0.000 . 2.860 2.552 2.490 2.599 . 0 0 "[ . 1 . ]" 1
324 1 34 LEU H 1 36 ARG H 0.000 . 3.950 3.966 3.923 3.979 0.029 5 0 "[ . 1 . ]" 1
325 1 34 LEU HA 1 37 ALA H 0.000 . 3.550 3.552 3.503 3.596 0.046 11 0 "[ . 1 . ]" 1
326 1 34 LEU MD1 2 57 MET HG2 0.000 . 9.600 2.752 2.031 4.244 . 0 0 "[ . 1 . ]" 1
327 1 34 LEU MD1 2 57 MET HG3 0.000 . 9.600 3.840 3.222 4.656 . 0 0 "[ . 1 . ]" 1
328 1 34 LEU MD1 2 57 MET ME 0.000 . 6.720 1.733 1.689 1.841 . 0 0 "[ . 1 . ]" 1
329 1 34 LEU MD2 2 57 MET HG2 0.000 . 9.600 5.352 4.747 6.799 . 0 0 "[ . 1 . ]" 1
330 1 34 LEU MD2 2 57 MET HG3 0.000 . 9.600 6.301 5.729 7.184 . 0 0 "[ . 1 . ]" 1
331 1 34 LEU MD2 2 57 MET ME 0.000 . 6.720 3.266 2.689 3.610 . 0 0 "[ . 1 . ]" 1
332 1 34 LEU QD 2 57 MET QG 0.000 . 7.330 2.668 2.008 3.782 . 0 0 "[ . 1 . ]" 1
333 1 34 LEU QD 2 57 MET ME 0.000 . 6.440 1.726 1.685 1.831 . 0 0 "[ . 1 . ]" 1
334 1 35 LEU H 1 35 LEU QB 0.000 . 3.540 2.685 2.542 2.841 . 0 0 "[ . 1 . ]" 1
335 1 35 LEU H 1 35 LEU HG 0.000 . 2.930 2.031 1.950 2.301 . 0 0 "[ . 1 . ]" 1
336 1 35 LEU H 1 36 ARG H 0.000 . 2.800 2.411 2.309 2.465 . 0 0 "[ . 1 . ]" 1
337 1 35 LEU H 1 37 ALA H 0.000 . 5.500 3.698 3.631 3.770 . 0 0 "[ . 1 . ]" 1
338 1 35 LEU HA 1 36 ARG H 0.000 . 3.520 3.524 3.513 3.530 0.010 6 0 "[ . 1 . ]" 1
339 1 35 LEU HA 1 38 LEU H 0.000 . 3.480 3.558 3.519 3.603 0.123 7 0 "[ . 1 . ]" 1
340 1 35 LEU HA 1 38 LEU MD1 0.000 . 4.920 3.409 2.745 3.882 . 0 0 "[ . 1 . ]" 1
341 1 35 LEU HA 1 38 LEU MD2 0.000 . 6.530 4.299 1.895 5.261 . 0 0 "[ . 1 . ]" 1
342 1 35 LEU HG 2 58 THR MG 0.000 . 4.200 3.051 2.393 3.418 . 0 0 "[ . 1 . ]" 1
343 1 35 LEU MD1 1 36 ARG H 0.000 . 6.530 4.451 4.240 4.642 . 0 0 "[ . 1 . ]" 1
344 1 35 LEU MD1 2 58 THR HB 0.000 . 6.400 4.194 3.444 4.986 . 0 0 "[ . 1 . ]" 1
345 1 35 LEU MD1 2 58 THR MG 0.000 . 7.560 2.231 1.857 2.657 . 0 0 "[ . 1 . ]" 1
346 1 35 LEU MD2 1 36 ARG H 0.000 . 6.530 4.364 4.081 4.551 . 0 0 "[ . 1 . ]" 1
347 1 35 LEU MD2 2 58 THR MG 0.000 . 7.560 3.486 2.773 3.910 . 0 0 "[ . 1 . ]" 1
348 1 36 ARG H 1 36 ARG HA 0.000 . 2.860 2.854 2.841 2.862 0.002 9 0 "[ . 1 . ]" 1
349 1 36 ARG H 1 36 ARG QB 0.000 . 3.740 2.158 2.062 2.352 . 0 0 "[ . 1 . ]" 1
350 1 36 ARG H 1 36 ARG QG 0.000 . 4.240 3.308 2.430 3.922 . 0 0 "[ . 1 . ]" 1
351 1 36 ARG H 1 37 ALA H 0.000 . 2.860 2.455 2.427 2.489 . 0 0 "[ . 1 . ]" 1
352 1 36 ARG H 1 38 LEU H 0.000 . 5.500 4.233 4.129 4.523 . 0 0 "[ . 1 . ]" 1
353 1 36 ARG HA 1 39 ASP QB 0.000 . 3.650 3.256 2.554 3.357 . 0 0 "[ . 1 . ]" 1
354 1 36 ARG QB 1 37 ALA H 0.000 . 4.140 2.838 2.761 2.949 . 0 0 "[ . 1 . ]" 1
355 1 36 ARG QG 1 37 ALA H 0.000 . 6.380 4.339 3.477 4.601 . 0 0 "[ . 1 . ]" 1
356 1 36 ARG QD 1 37 ALA H 0.000 . 6.380 4.928 4.350 5.346 . 0 0 "[ . 1 . ]" 1
357 1 37 ALA H 1 37 ALA HA 0.000 . 2.680 2.857 2.847 2.874 0.194 5 0 "[ . 1 . ]" 1
358 1 37 ALA H 1 38 LEU H 0.000 . 2.860 2.543 2.482 2.671 . 0 0 "[ . 1 . ]" 1
359 1 37 ALA H 1 39 ASP H 0.000 . 5.500 3.723 3.538 3.857 . 0 0 "[ . 1 . ]" 1
360 1 37 ALA HA 1 40 GLN H 0.000 . 5.500 4.728 4.529 5.435 . 0 0 "[ . 1 . ]" 1
361 1 37 ALA HA 2 82 LYS QE 0.000 . 4.920 3.788 3.081 4.332 . 0 0 "[ . 1 . ]" 1
362 1 37 ALA MB 2 78 ILE MG 0.000 . 6.970 4.055 3.683 4.374 . 0 0 "[ . 1 . ]" 1
363 1 38 LEU H 1 38 LEU HA 0.000 . 2.900 2.772 2.747 2.841 . 0 0 "[ . 1 . ]" 1
364 1 38 LEU H 1 38 LEU HG 0.000 . 2.990 2.838 2.313 3.040 0.050 7 0 "[ . 1 . ]" 1
365 1 38 LEU H 1 39 ASP H 0.000 . 2.740 2.766 2.700 2.796 0.056 10 0 "[ . 1 . ]" 1
366 1 38 LEU H 1 40 GLN H 0.000 . 5.500 4.899 4.841 5.102 . 0 0 "[ . 1 . ]" 1
367 1 38 LEU H 2 78 ILE MD 0.000 . 6.530 5.210 5.001 5.300 . 0 0 "[ . 1 . ]" 1
368 1 38 LEU HA 1 39 ASP H 0.000 . 3.480 3.441 3.297 3.468 . 0 0 "[ . 1 . ]" 1
369 1 38 LEU QB 1 39 ASP H 0.000 . 6.380 3.169 2.891 3.895 . 0 0 "[ . 1 . ]" 1
370 1 38 LEU QB 2 27 HIS HD2 0.000 . 4.730 3.329 2.304 4.313 . 0 0 "[ . 1 . ]" 1
371 1 38 LEU HG 1 39 ASP H 0.000 . 5.500 4.346 2.615 5.026 . 0 0 "[ . 1 . ]" 1
372 1 38 LEU HG 2 78 ILE MG 0.000 . 5.500 2.702 1.919 4.438 . 0 0 "[ . 1 . ]" 1
373 1 38 LEU MD1 1 39 ASP H 0.000 . 6.530 4.432 2.476 4.993 . 0 0 "[ . 1 . ]" 1
374 1 38 LEU MD1 2 24 LEU HA 0.000 . 4.640 3.449 2.417 3.756 . 0 0 "[ . 1 . ]" 1
375 1 38 LEU MD1 2 27 HIS H 0.000 . 6.530 4.435 3.978 4.958 . 0 0 "[ . 1 . ]" 1
376 1 38 LEU MD1 2 27 HIS HA 0.000 . 6.160 4.025 3.130 4.963 . 0 0 "[ . 1 . ]" 1
377 1 38 LEU MD1 2 27 HIS HB2 0.000 . 6.060 2.459 1.786 3.351 . 0 0 "[ . 1 . ]" 1
378 1 38 LEU MD1 2 27 HIS HB3 0.000 . 6.060 3.470 2.503 4.332 . 0 0 "[ . 1 . ]" 1
379 1 38 LEU MD1 2 27 HIS QB 0.000 . 5.640 2.402 1.774 3.244 . 0 0 "[ . 1 . ]" 1
380 1 38 LEU MD1 2 27 HIS HD2 0.000 . 6.250 3.448 1.829 4.431 . 0 0 "[ . 1 . ]" 1
381 1 38 LEU MD1 2 54 LEU MD1 0.000 . 5.700 3.592 3.225 3.862 . 0 0 "[ . 1 . ]" 1
382 1 38 LEU MD1 2 57 MET ME 0.000 . 7.560 4.445 3.932 5.236 . 0 0 "[ . 1 . ]" 1
383 1 38 LEU MD1 2 78 ILE MG 0.000 . 7.560 2.878 2.292 4.372 . 0 0 "[ . 1 . ]" 1
384 1 38 LEU MD1 2 78 ILE MD 0.000 . 6.470 2.317 1.715 4.083 . 0 0 "[ . 1 . ]" 1
385 1 38 LEU MD2 2 23 LEU HB2 0.000 . 6.530 5.121 4.798 5.255 . 0 0 "[ . 1 . ]" 1
386 1 38 LEU MD2 2 23 LEU HB3 0.000 . 6.530 4.005 3.343 4.323 . 0 0 "[ . 1 . ]" 1
387 1 38 LEU MD2 2 23 LEU MD1 0.000 . 7.280 4.692 4.544 4.779 . 0 0 "[ . 1 . ]" 1
388 1 38 LEU MD2 2 23 LEU MD2 0.000 . 7.560 4.297 2.770 4.972 . 0 0 "[ . 1 . ]" 1
389 1 38 LEU MD2 2 24 LEU HA 0.000 . 5.130 3.958 3.580 4.167 . 0 0 "[ . 1 . ]" 1
390 1 38 LEU MD2 2 27 HIS HB2 0.000 . 6.530 3.938 3.089 4.820 . 0 0 "[ . 1 . ]" 1
391 1 38 LEU MD2 2 27 HIS HB3 0.000 . 6.530 4.604 3.915 5.227 . 0 0 "[ . 1 . ]" 1
392 1 38 LEU MD2 2 27 HIS HD2 0.000 . 6.530 4.254 3.282 4.918 . 0 0 "[ . 1 . ]" 1
393 1 38 LEU MD2 2 78 ILE MG 0.000 . 7.340 2.003 1.728 2.739 . 0 0 "[ . 1 . ]" 1
394 1 38 LEU MD2 2 78 ILE MD 0.000 . 6.810 2.583 1.889 3.119 . 0 0 "[ . 1 . ]" 1
395 1 39 ASP H 1 39 ASP QB 0.000 . 3.680 2.291 2.207 2.425 . 0 0 "[ . 1 . ]" 1
396 1 39 ASP H 1 40 GLN H 0.000 . 3.140 3.154 3.095 3.175 0.035 12 0 "[ . 1 . ]" 1
397 1 39 ASP H 1 41 VAL H 0.000 . 5.500 5.534 5.508 5.554 0.054 11 0 "[ . 1 . ]" 1
398 1 39 ASP HA 1 40 GLN H 0.000 . 2.650 2.710 2.680 2.722 0.072 10 0 "[ . 1 . ]" 1
399 1 39 ASP HA 2 27 HIS HD2 0.000 . 3.420 3.176 2.026 3.438 0.018 1 0 "[ . 1 . ]" 1
400 1 39 ASP QB 1 41 VAL QG 0.000 . 8.500 4.937 4.344 5.324 . 0 0 "[ . 1 . ]" 1
401 1 40 GLN H 1 40 GLN HB2 0.000 . 3.080 2.953 2.477 3.097 0.017 6 0 "[ . 1 . ]" 1
402 1 40 GLN H 1 40 GLN HB3 0.000 . 3.080 2.938 2.670 3.105 0.025 6 0 "[ . 1 . ]" 1
403 1 40 GLN H 1 41 VAL H 0.000 . 5.500 2.772 2.536 3.176 . 0 0 "[ . 1 . ]" 1
404 1 40 GLN HA 1 41 VAL H 0.000 . 2.590 2.662 2.640 2.674 0.084 8 0 "[ . 1 . ]" 1
405 1 41 VAL H 1 41 VAL HA 0.000 . 2.770 2.815 2.737 2.925 0.155 14 0 "[ . 1 . ]" 1
406 1 41 VAL H 1 41 VAL HB 0.000 . 2.770 2.679 2.611 2.760 . 0 0 "[ . 1 . ]" 1
407 1 41 VAL QG 1 42 ASN HA 0.000 . 7.620 3.754 3.141 4.474 . 0 0 "[ . 1 . ]" 1
408 1 41 VAL QG 2 24 LEU MD1 0.000 . 8.650 4.933 4.312 5.269 . 0 0 "[ . 1 . ]" 1
409 1 41 VAL QG 2 24 LEU MD2 0.000 . 8.650 4.334 3.650 4.925 . 0 0 "[ . 1 . ]" 1
410 1 41 VAL QG 2 81 TRP HZ2 0.000 . 7.620 5.051 4.471 5.658 . 0 0 "[ . 1 . ]" 1
411 2 7 THR HA 2 8 ALA H 0.000 . 2.460 2.318 2.162 2.461 0.001 1 0 "[ . 1 . ]" 1
412 2 7 THR MG 2 8 ALA H 0.000 . 6.530 3.724 1.992 4.347 . 0 0 "[ . 1 . ]" 1
413 2 8 ALA H 2 8 ALA HA 0.000 . 2.740 2.792 2.776 2.811 0.071 9 0 "[ . 1 . ]" 1
414 2 8 ALA H 2 9 ASP H 0.000 . 3.950 3.609 2.840 3.963 0.013 4 0 "[ . 1 . ]" 1
415 2 8 ALA HA 2 9 ASP H 0.000 . 2.400 2.284 2.141 2.401 0.001 16 0 "[ . 1 . ]" 1
416 2 9 ASP H 2 9 ASP HB2 0.000 . 3.020 2.469 2.165 2.852 . 0 0 "[ . 1 . ]" 1
417 2 9 ASP H 2 9 ASP HB3 0.000 . 3.020 2.821 2.522 3.007 . 0 0 "[ . 1 . ]" 1
418 2 9 ASP HA 2 10 PRO HD2 0.000 . 2.400 2.101 2.037 2.400 0.000 7 0 "[ . 1 . ]" 1
419 2 9 ASP HA 2 10 PRO HD3 0.000 . 2.400 2.367 2.073 2.420 0.020 6 0 "[ . 1 . ]" 1
420 2 9 ASP HA 2 11 GLU H 0.000 . 3.700 3.655 3.477 3.748 0.048 6 0 "[ . 1 . ]" 1
421 2 9 ASP HA 2 12 LYS H 0.000 . 5.500 4.924 4.677 5.181 . 0 0 "[ . 1 . ]" 1
422 2 9 ASP HB2 2 12 LYS H 0.000 . 5.500 5.078 4.815 5.403 . 0 0 "[ . 1 . ]" 1
423 2 9 ASP HB3 2 12 LYS H 0.000 . 5.500 3.439 3.172 3.799 . 0 0 "[ . 1 . ]" 1
424 2 10 PRO HA 2 13 ARG H 0.000 . 3.140 3.067 2.871 3.180 0.040 6 0 "[ . 1 . ]" 1
425 2 11 GLU H 2 11 GLU HA 0.000 . 2.650 2.757 2.739 2.781 0.131 6 0 "[ . 1 . ]" 1
426 2 11 GLU H 2 12 LYS H 0.000 . 2.740 2.708 2.635 2.750 0.010 7 0 "[ . 1 . ]" 1
427 2 11 GLU HA 2 12 LYS H 0.000 . 3.270 3.408 3.388 3.423 0.153 7 0 "[ . 1 . ]" 1
428 2 11 GLU QB 2 12 LYS H 0.000 . 4.240 3.079 2.919 3.675 . 0 0 "[ . 1 . ]" 1
429 2 12 LYS H 2 12 LYS QG 0.000 . 4.950 3.156 2.026 4.098 . 0 0 "[ . 1 . ]" 1
430 2 12 LYS H 2 12 LYS QD 0.000 . 4.520 3.427 2.325 4.120 . 0 0 "[ . 1 . ]" 1
431 2 12 LYS H 2 12 LYS QE 0.000 . 6.380 4.668 2.937 5.522 . 0 0 "[ . 1 . ]" 1
432 2 12 LYS H 2 13 ARG H 0.000 . 2.770 2.311 2.199 2.403 . 0 0 "[ . 1 . ]" 1
433 2 12 LYS HA 2 15 LEU H 0.000 . 3.080 3.101 2.959 3.122 0.042 7 0 "[ . 1 . ]" 1
434 2 12 LYS O 2 16 ILE N 0.000 . 3.300 2.912 2.666 3.142 . 0 0 "[ . 1 . ]" 1
435 2 12 LYS O 2 16 ILE H 0.000 . 2.300 1.997 1.754 2.256 . 0 0 "[ . 1 . ]" 1
436 2 13 ARG H 2 13 ARG HB2 0.000 . 2.620 2.471 2.437 2.508 . 0 0 "[ . 1 . ]" 1
437 2 13 ARG H 2 13 ARG HB3 0.000 . 2.620 2.586 2.536 2.624 0.004 6 0 "[ . 1 . ]" 1
438 2 13 ARG H 2 13 ARG QG 0.000 . 4.580 3.973 3.964 3.996 . 0 0 "[ . 1 . ]" 1
439 2 13 ARG H 2 14 LYS H 0.000 . 2.800 2.757 2.697 2.808 0.008 6 0 "[ . 1 . ]" 1
440 2 13 ARG H 2 16 ILE MD 0.000 . 6.530 3.830 3.170 5.017 . 0 0 "[ . 1 . ]" 1
441 2 13 ARG H 2 91 VAL QG 0.000 . 7.620 5.537 5.460 5.627 . 0 0 "[ . 1 . ]" 1
442 2 13 ARG HA 2 14 LYS H 0.000 . 3.330 3.443 3.424 3.455 0.125 15 0 "[ . 1 . ]" 1
443 2 13 ARG HA 2 16 ILE H 0.000 . 3.390 3.371 3.240 3.421 0.031 15 0 "[ . 1 . ]" 1
444 2 13 ARG HA 2 16 ILE MD 0.000 . 4.480 2.564 1.979 3.799 . 0 0 "[ . 1 . ]" 1
445 2 13 ARG QD 2 14 LYS H 0.000 . 6.380 4.988 3.898 5.447 . 0 0 "[ . 1 . ]" 1
446 2 13 ARG O 2 17 GLN N 0.000 . 3.300 2.980 2.675 3.136 . 0 0 "[ . 1 . ]" 1
447 2 13 ARG O 2 17 GLN H 0.000 . 2.300 2.170 1.882 2.307 0.007 7 0 "[ . 1 . ]" 1
448 2 14 LYS H 2 14 LYS HG2 0.000 . 5.500 4.016 1.952 4.629 . 0 0 "[ . 1 . ]" 1
449 2 14 LYS H 2 14 LYS HG3 0.000 . 5.500 4.277 3.465 4.627 . 0 0 "[ . 1 . ]" 1
450 2 14 LYS HA 2 17 GLN QB 0.000 . 3.280 2.647 2.472 2.889 . 0 0 "[ . 1 . ]" 1
451 2 14 LYS QD 2 16 ILE H 0.000 . 6.380 5.522 5.059 5.741 . 0 0 "[ . 1 . ]" 1
452 2 14 LYS O 2 18 GLN N 0.000 . 3.300 3.208 3.047 3.266 . 0 0 "[ . 1 . ]" 1
453 2 14 LYS O 2 18 GLN H 0.000 . 2.300 2.291 2.123 2.322 0.022 10 0 "[ . 1 . ]" 1
454 2 15 LEU H 2 15 LEU HG 0.000 . 5.500 3.253 1.977 4.231 . 0 0 "[ . 1 . ]" 1
455 2 15 LEU H 2 16 ILE H 0.000 . 2.770 2.483 2.385 2.547 . 0 0 "[ . 1 . ]" 1
456 2 15 LEU H 2 17 GLN H 0.000 . 4.380 3.998 3.851 4.205 . 0 0 "[ . 1 . ]" 1
457 2 15 LEU HA 2 16 ILE H 0.000 . 3.360 3.465 3.455 3.480 0.120 14 0 "[ . 1 . ]" 1
458 2 15 LEU HA 2 18 GLN H 0.000 . 3.420 3.446 3.422 3.464 0.044 11 0 "[ . 1 . ]" 1
459 2 15 LEU QB 2 16 ILE H 0.000 . 6.380 2.822 2.705 2.884 . 0 0 "[ . 1 . ]" 1
460 2 15 LEU QD 2 17 GLN H 0.000 . 7.630 5.290 4.834 5.561 . 0 0 "[ . 1 . ]" 1
461 2 15 LEU QD 2 18 GLN H 0.000 . 7.630 4.853 4.236 5.249 . 0 0 "[ . 1 . ]" 1
462 2 15 LEU QD 2 18 GLN HE21 0.000 . 7.630 3.935 2.894 5.274 . 0 0 "[ . 1 . ]" 1
463 2 15 LEU QD 2 18 GLN HE22 0.000 . 7.630 4.449 3.186 5.225 . 0 0 "[ . 1 . ]" 1
464 2 15 LEU O 2 19 GLN N 0.000 . 3.300 3.168 3.036 3.295 . 0 0 "[ . 1 . ]" 1
465 2 15 LEU O 2 19 GLN H 0.000 . 2.300 2.262 2.139 2.330 0.030 14 0 "[ . 1 . ]" 1
466 2 16 ILE HA 2 77 ILE MD 0.000 . 5.320 3.840 3.034 4.166 . 0 0 "[ . 1 . ]" 1
467 2 16 ILE HB 2 17 GLN H 0.000 . 2.800 2.761 2.500 2.815 0.015 12 0 "[ . 1 . ]" 1
468 2 16 ILE MG 2 17 GLN H 0.000 . 6.530 3.685 3.476 3.854 . 0 0 "[ . 1 . ]" 1
469 2 16 ILE O 2 20 LEU N 0.000 . 3.300 2.977 2.805 3.090 . 0 0 "[ . 1 . ]" 1
470 2 16 ILE O 2 20 LEU H 0.000 . 2.300 2.201 2.052 2.306 0.006 8 0 "[ . 1 . ]" 1
471 2 17 GLN H 2 17 GLN QG 0.000 . 4.240 3.615 2.648 3.791 . 0 0 "[ . 1 . ]" 1
472 2 17 GLN HA 2 20 LEU QB 0.000 . 4.210 2.589 2.200 2.814 . 0 0 "[ . 1 . ]" 1
473 2 17 GLN HB2 2 95 LEU MD2 0.000 . 6.530 5.300 5.115 5.392 . 0 0 "[ . 1 . ]" 1
474 2 17 GLN HB3 2 95 LEU MD2 0.000 . 6.530 4.094 3.585 4.273 . 0 0 "[ . 1 . ]" 1
475 2 17 GLN QB 2 95 LEU MD1 0.000 . 5.510 3.719 3.198 3.999 . 0 0 "[ . 1 . ]" 1
476 2 17 GLN QB 2 95 LEU MD2 0.000 . 5.830 3.962 3.519 4.089 . 0 0 "[ . 1 . ]" 1
477 2 17 GLN HG2 2 95 LEU MD1 0.000 . 6.530 3.446 2.107 4.138 . 0 0 "[ . 1 . ]" 1
478 2 17 GLN HG2 2 95 LEU MD2 0.000 . 6.530 3.611 2.669 5.213 . 0 0 "[ . 1 . ]" 1
479 2 17 GLN HG3 2 95 LEU MD1 0.000 . 6.530 2.609 2.046 5.038 . 0 0 "[ . 1 . ]" 1
480 2 17 GLN HG3 2 95 LEU MD2 0.000 . 6.530 3.822 3.452 5.319 . 0 0 "[ . 1 . ]" 1
481 2 17 GLN HE21 2 91 VAL H 0.000 . 5.500 5.126 4.853 5.524 0.024 4 0 "[ . 1 . ]" 1
482 2 17 GLN HE21 2 91 VAL HA 0.000 . 4.170 2.306 1.979 2.851 . 0 0 "[ . 1 . ]" 1
483 2 17 GLN HE21 2 91 VAL QG 0.000 . 7.620 2.214 1.822 3.535 . 0 0 "[ . 1 . ]" 1
484 2 17 GLN HE21 2 94 PRO HB2 0.000 . 7.250 3.844 2.184 5.659 . 0 0 "[ . 1 . ]" 1
485 2 17 GLN HE21 2 94 PRO HB3 0.000 . 7.250 4.987 3.507 6.519 . 0 0 "[ . 1 . ]" 1
486 2 17 GLN HE21 2 94 PRO QG 0.000 . 6.380 2.728 1.945 3.695 . 0 0 "[ . 1 . ]" 1
487 2 17 GLN HE21 2 94 PRO HD2 0.000 . 7.230 4.069 3.159 5.139 . 0 0 "[ . 1 . ]" 1
488 2 17 GLN HE21 2 94 PRO HD3 0.000 . 7.230 5.187 4.472 6.142 . 0 0 "[ . 1 . ]" 1
489 2 17 GLN HE22 2 91 VAL H 0.000 . 5.500 5.121 4.397 5.523 0.023 11 0 "[ . 1 . ]" 1
490 2 17 GLN HE22 2 91 VAL HA 0.000 . 4.170 2.389 1.929 3.033 . 0 0 "[ . 1 . ]" 1
491 2 17 GLN HE22 2 91 VAL QG 0.000 . 7.620 2.934 2.235 3.426 . 0 0 "[ . 1 . ]" 1
492 2 17 GLN HE22 2 94 PRO HB2 0.000 . 7.250 3.620 2.507 4.947 . 0 0 "[ . 1 . ]" 1
493 2 17 GLN HE22 2 94 PRO HB3 0.000 . 7.250 4.380 3.468 5.330 . 0 0 "[ . 1 . ]" 1
494 2 17 GLN HE22 2 94 PRO QG 0.000 . 6.380 2.324 1.963 3.125 . 0 0 "[ . 1 . ]" 1
495 2 17 GLN HE22 2 94 PRO HD2 0.000 . 7.230 4.009 3.450 4.508 . 0 0 "[ . 1 . ]" 1
496 2 17 GLN HE22 2 94 PRO HD3 0.000 . 7.230 4.709 4.336 5.377 . 0 0 "[ . 1 . ]" 1
497 2 17 GLN QE 2 91 VAL HA 0.000 . 3.770 2.039 1.847 2.392 . 0 0 "[ . 1 . ]" 1
498 2 17 GLN QE 2 94 PRO QB 0.000 . 5.920 3.078 2.149 3.891 . 0 0 "[ . 1 . ]" 1
499 2 17 GLN QE 2 94 PRO QD 0.000 . 5.850 3.399 2.866 3.949 . 0 0 "[ . 1 . ]" 1
500 2 17 GLN O 2 21 VAL N 0.000 . 3.300 2.745 2.504 3.056 . 0 0 "[ . 1 . ]" 1
501 2 17 GLN O 2 21 VAL H 0.000 . 2.300 1.888 1.593 2.258 . 0 0 "[ . 1 . ]" 1
502 2 18 GLN H 2 18 GLN QG 0.000 . 4.580 3.211 2.105 3.968 . 0 0 "[ . 1 . ]" 1
503 2 18 GLN HA 2 18 GLN HE21 0.000 . 5.500 4.557 3.655 5.079 . 0 0 "[ . 1 . ]" 1
504 2 18 GLN HA 2 18 GLN HE22 0.000 . 5.500 5.337 4.656 5.509 0.009 14 0 "[ . 1 . ]" 1
505 2 18 GLN HA 2 19 GLN H 0.000 . 3.330 3.498 3.453 3.529 0.199 2 0 "[ . 1 . ]" 1
506 2 18 GLN HA 2 22 LEU H 0.000 . 3.550 3.640 3.618 3.669 0.119 15 0 "[ . 1 . ]" 1
507 2 18 GLN QG 2 19 GLN H 0.000 . 6.380 4.206 3.589 4.529 . 0 0 "[ . 1 . ]" 1
508 2 18 GLN O 2 22 LEU N 0.000 . 3.300 2.551 2.472 2.674 . 0 0 "[ . 1 . ]" 1
509 2 18 GLN O 2 22 LEU H 0.000 . 2.300 1.616 1.519 1.784 . 0 0 "[ . 1 . ]" 1
510 2 19 GLN H 2 20 LEU H 0.000 . 5.500 2.549 2.447 2.711 . 0 0 "[ . 1 . ]" 1
511 2 19 GLN HA 2 20 LEU H 0.000 . 3.360 3.458 3.442 3.480 0.120 7 0 "[ . 1 . ]" 1
512 2 19 GLN HA 2 22 LEU H 0.000 . 3.330 3.396 3.358 3.430 0.100 13 0 "[ . 1 . ]" 1
513 2 19 GLN O 2 23 LEU N 0.000 . 3.300 3.100 2.954 3.280 . 0 0 "[ . 1 . ]" 1
514 2 19 GLN O 2 23 LEU H 0.000 . 2.300 2.222 2.105 2.321 0.021 7 0 "[ . 1 . ]" 1
515 2 20 LEU H 2 20 LEU HB2 0.000 . 3.020 2.329 2.131 2.773 . 0 0 "[ . 1 . ]" 1
516 2 20 LEU H 2 20 LEU HB3 0.000 . 3.020 2.809 2.337 3.038 0.018 9 0 "[ . 1 . ]" 1
517 2 20 LEU H 2 20 LEU QB 0.000 . 2.790 2.182 2.090 2.271 . 0 0 "[ . 1 . ]" 1
518 2 20 LEU H 2 20 LEU HG 0.000 . 4.760 4.445 4.123 4.641 . 0 0 "[ . 1 . ]" 1
519 2 20 LEU HA 2 23 LEU H 0.000 . 5.500 3.693 3.460 3.942 . 0 0 "[ . 1 . ]" 1
520 2 20 LEU QB 2 21 VAL H 0.000 . 6.380 2.652 2.407 2.841 . 0 0 "[ . 1 . ]" 1
521 2 20 LEU HG 2 24 LEU MD2 0.000 . 6.000 4.151 2.876 4.758 . 0 0 "[ . 1 . ]" 1
522 2 20 LEU MD1 2 24 LEU MD2 0.000 . 7.560 3.099 1.753 4.975 . 0 0 "[ . 1 . ]" 1
523 2 20 LEU MD1 2 80 HIS HD2 0.000 . 6.530 4.423 3.273 5.359 . 0 0 "[ . 1 . ]" 1
524 2 20 LEU MD1 2 81 TRP HA 0.000 . 6.530 4.645 4.061 5.121 . 0 0 "[ . 1 . ]" 1
525 2 20 LEU MD1 2 81 TRP HB2 0.000 . 6.530 3.047 2.611 3.444 . 0 0 "[ . 1 . ]" 1
526 2 20 LEU MD1 2 81 TRP HB3 0.000 . 6.530 4.135 3.681 4.629 . 0 0 "[ . 1 . ]" 1
527 2 20 LEU MD1 2 81 TRP QB 0.000 . 6.270 2.962 2.562 3.306 . 0 0 "[ . 1 . ]" 1
528 2 20 LEU MD1 2 81 TRP HE3 0.000 . 6.530 2.440 1.847 2.954 . 0 0 "[ . 1 . ]" 1
529 2 20 LEU MD1 2 81 TRP HZ3 0.000 . 6.530 3.072 1.952 4.046 . 0 0 "[ . 1 . ]" 1
530 2 20 LEU MD1 2 81 TRP HH2 0.000 . 6.530 4.318 3.450 5.273 . 0 0 "[ . 1 . ]" 1
531 2 20 LEU MD2 2 24 LEU MD1 0.000 . 7.560 3.023 1.869 4.271 . 0 0 "[ . 1 . ]" 1
532 2 20 LEU MD2 2 80 HIS HD2 0.000 . 6.530 4.116 3.341 5.178 . 0 0 "[ . 1 . ]" 1
533 2 20 LEU MD2 2 81 TRP HA 0.000 . 6.530 4.549 3.842 5.131 . 0 0 "[ . 1 . ]" 1
534 2 20 LEU MD2 2 81 TRP HB2 0.000 . 6.530 2.957 2.078 3.668 . 0 0 "[ . 1 . ]" 1
535 2 20 LEU MD2 2 81 TRP HB3 0.000 . 6.530 4.148 3.411 4.877 . 0 0 "[ . 1 . ]" 1
536 2 20 LEU MD2 2 81 TRP QB 0.000 . 6.300 2.891 2.061 3.555 . 0 0 "[ . 1 . ]" 1
537 2 20 LEU MD2 2 81 TRP HE3 0.000 . 6.160 2.327 1.843 2.604 . 0 0 "[ . 1 . ]" 1
538 2 20 LEU MD2 2 81 TRP HZ3 0.000 . 6.530 2.940 1.924 3.863 . 0 0 "[ . 1 . ]" 1
539 2 20 LEU MD2 2 81 TRP HH2 0.000 . 6.530 4.507 3.431 5.463 . 0 0 "[ . 1 . ]" 1
540 2 20 LEU O 2 24 LEU N 0.000 . 3.300 3.033 2.678 3.200 . 0 0 "[ . 1 . ]" 1
541 2 20 LEU O 2 24 LEU H 0.000 . 2.300 2.160 1.780 2.324 0.024 8 0 "[ . 1 . ]" 1
542 2 21 VAL H 2 22 LEU H 0.000 . 2.860 2.490 2.412 2.627 . 0 0 "[ . 1 . ]" 1
543 2 21 VAL HA 2 23 LEU H 0.000 . 5.500 4.370 4.201 4.624 . 0 0 "[ . 1 . ]" 1
544 2 21 VAL HA 2 24 LEU HB2 0.000 . 3.450 2.191 2.022 2.311 . 0 0 "[ . 1 . ]" 1
545 2 21 VAL HA 2 24 LEU HB3 0.000 . 3.450 3.523 3.459 3.573 0.123 2 0 "[ . 1 . ]" 1
546 2 21 VAL HA 2 24 LEU QB 0.000 . 2.990 2.170 2.010 2.283 . 0 0 "[ . 1 . ]" 1
547 2 21 VAL HA 2 24 LEU MD1 0.000 . 5.160 3.409 2.001 4.006 . 0 0 "[ . 1 . ]" 1
548 2 21 VAL HB 2 22 LEU H 0.000 . 2.900 2.702 2.580 2.827 . 0 0 "[ . 1 . ]" 1
549 2 21 VAL MG2 2 22 LEU H 0.000 . 6.530 3.824 3.721 4.024 . 0 0 "[ . 1 . ]" 1
550 2 21 VAL MG2 2 24 LEU MD1 0.000 . 7.560 4.331 2.746 4.988 . 0 0 "[ . 1 . ]" 1
551 2 21 VAL O 2 25 HIS N 0.000 . 3.300 2.528 2.473 2.590 . 0 0 "[ . 1 . ]" 1
552 2 21 VAL O 2 25 HIS H 0.000 . 2.300 1.656 1.554 1.731 . 0 0 "[ . 1 . ]" 1
553 2 22 LEU H 2 22 LEU HB2 0.000 . 3.050 2.917 1.999 3.212 0.162 9 0 "[ . 1 . ]" 1
554 2 22 LEU H 2 22 LEU HB3 0.000 . 3.050 2.306 2.006 3.334 0.284 6 0 "[ . 1 . ]" 1
555 2 22 LEU H 2 22 LEU QB 0.000 . 2.750 1.992 1.981 2.001 . 0 0 "[ . 1 . ]" 1
556 2 22 LEU H 2 22 LEU HG 0.000 . 3.390 3.564 3.493 3.611 0.221 12 0 "[ . 1 . ]" 1
557 2 22 LEU H 2 23 LEU H 0.000 . 2.990 2.617 2.536 2.901 . 0 0 "[ . 1 . ]" 1
558 2 22 LEU HA 2 23 LEU H 0.000 . 3.580 3.540 3.519 3.574 . 0 0 "[ . 1 . ]" 1
559 2 22 LEU QB 2 23 LEU H 0.000 . 4.330 2.951 2.396 3.118 . 0 0 "[ . 1 . ]" 1
560 2 22 LEU HG 2 23 LEU H 0.000 . 5.500 3.130 2.494 5.043 . 0 0 "[ . 1 . ]" 1
561 2 22 LEU MD1 2 25 HIS HD2 0.000 . 6.530 3.575 2.973 5.444 . 0 0 "[ . 1 . ]" 1
562 2 22 LEU MD1 2 46 HIS HD2 0.000 . 6.530 4.088 2.179 5.088 . 0 0 "[ . 1 . ]" 1
563 2 22 LEU MD2 2 25 HIS HD2 0.000 . 6.530 5.048 3.039 5.520 . 0 0 "[ . 1 . ]" 1
564 2 22 LEU MD2 2 46 HIS HD2 0.000 . 6.530 2.998 1.932 5.064 . 0 0 "[ . 1 . ]" 1
565 2 22 LEU QD 2 46 HIS QB 0.000 . 7.760 1.784 1.665 1.893 . 0 0 "[ . 1 . ]" 1
566 2 22 LEU QD 2 46 HIS HD2 0.000 . 6.190 2.627 1.926 4.012 . 0 0 "[ . 1 . ]" 1
567 2 22 LEU O 2 26 ALA N 0.000 . 3.300 2.631 2.550 3.238 . 0 0 "[ . 1 . ]" 1
568 2 22 LEU O 2 26 ALA H 0.000 . 2.300 1.702 1.623 2.261 . 0 0 "[ . 1 . ]" 1
569 2 23 LEU H 2 23 LEU HA 0.000 . 2.800 2.836 2.816 2.843 0.043 5 0 "[ . 1 . ]" 1
570 2 23 LEU H 2 23 LEU QB 0.000 . 3.540 2.163 2.084 2.251 . 0 0 "[ . 1 . ]" 1
571 2 23 LEU H 2 24 LEU H 0.000 . 5.500 2.511 2.433 2.641 . 0 0 "[ . 1 . ]" 1
572 2 23 LEU H 2 24 LEU MD1 0.000 . 6.530 4.496 4.034 5.405 . 0 0 "[ . 1 . ]" 1
573 2 23 LEU H 2 24 LEU MD2 0.000 . 6.530 5.370 5.311 5.493 . 0 0 "[ . 1 . ]" 1
574 2 23 LEU HA 2 26 ALA H 0.000 . 3.640 3.707 3.686 3.720 0.080 3 0 "[ . 1 . ]" 1
575 2 23 LEU HA 2 26 ALA MB 0.000 . 4.200 2.611 2.337 2.915 . 0 0 "[ . 1 . ]" 1
576 2 23 LEU QB 2 24 LEU H 0.000 . 6.380 2.576 2.461 2.662 . 0 0 "[ . 1 . ]" 1
577 2 23 LEU MD1 2 74 SER H 0.000 . 6.530 4.823 4.388 5.228 . 0 0 "[ . 1 . ]" 1
578 2 23 LEU MD1 2 74 SER HB2 0.000 . 6.060 2.930 2.122 3.556 . 0 0 "[ . 1 . ]" 1
579 2 23 LEU MD1 2 74 SER HB3 0.000 . 6.060 3.912 3.327 4.495 . 0 0 "[ . 1 . ]" 1
580 2 23 LEU MD1 2 74 SER QB 0.000 . 5.440 2.844 2.099 3.429 . 0 0 "[ . 1 . ]" 1
581 2 23 LEU MD2 2 74 SER HB2 0.000 . 5.720 3.648 3.354 3.990 . 0 0 "[ . 1 . ]" 1
582 2 23 LEU MD2 2 74 SER HB3 0.000 . 5.720 4.174 3.953 4.399 . 0 0 "[ . 1 . ]" 1
583 2 23 LEU MD2 2 74 SER QB 0.000 . 5.560 3.426 3.209 3.696 . 0 0 "[ . 1 . ]" 1
584 2 23 LEU O 2 27 HIS N 0.000 . 3.300 2.884 2.656 3.169 . 0 0 "[ . 1 . ]" 1
585 2 23 LEU O 2 27 HIS H 0.000 . 2.300 2.081 1.890 2.309 0.009 6 0 "[ . 1 . ]" 1
586 2 24 LEU H 2 24 LEU HA 0.000 . 2.800 2.813 2.764 2.825 0.025 16 0 "[ . 1 . ]" 1
587 2 24 LEU H 2 24 LEU QB 0.000 . 3.480 2.119 2.037 2.269 . 0 0 "[ . 1 . ]" 1
588 2 24 LEU H 2 24 LEU HG 0.000 . 5.500 3.743 2.475 4.296 . 0 0 "[ . 1 . ]" 1
589 2 24 LEU HA 2 25 HIS H 0.000 . 3.390 3.488 3.481 3.504 0.114 6 0 "[ . 1 . ]" 1
590 2 24 LEU HA 2 27 HIS H 0.000 . 3.580 3.645 3.594 3.683 0.103 12 0 "[ . 1 . ]" 1
591 2 24 LEU HA 2 27 HIS HB2 0.000 . 3.360 3.123 2.734 3.440 0.080 14 0 "[ . 1 . ]" 1
592 2 24 LEU HA 2 27 HIS HB3 0.000 . 3.360 2.975 2.226 3.390 0.030 5 0 "[ . 1 . ]" 1
593 2 24 LEU HA 2 27 HIS QB 0.000 . 3.150 2.645 2.199 2.973 . 0 0 "[ . 1 . ]" 1
594 2 24 LEU HB2 2 25 HIS H 0.000 . 3.140 2.661 2.326 2.850 . 0 0 "[ . 1 . ]" 1
595 2 24 LEU HB2 2 27 HIS H 0.000 . 5.500 5.508 5.319 5.572 0.072 6 0 "[ . 1 . ]" 1
596 2 24 LEU HB3 2 25 HIS H 0.000 . 3.140 3.161 3.075 3.255 0.115 14 0 "[ . 1 . ]" 1
597 2 24 LEU HB3 2 27 HIS H 0.000 . 5.500 5.282 5.143 5.343 . 0 0 "[ . 1 . ]" 1
598 2 24 LEU QB 2 25 HIS H 0.000 . 2.940 2.520 2.276 2.652 . 0 0 "[ . 1 . ]" 1
599 2 24 LEU QB 2 26 ALA H 0.000 . 6.380 5.002 4.853 5.101 . 0 0 "[ . 1 . ]" 1
600 2 24 LEU MD1 2 25 HIS H 0.000 . 6.530 4.237 4.106 4.428 . 0 0 "[ . 1 . ]" 1
601 2 24 LEU MD1 2 77 ILE MG 0.000 . 7.430 4.642 4.008 5.094 . 0 0 "[ . 1 . ]" 1
602 2 24 LEU MD1 2 81 TRP HE1 0.000 . 6.530 4.789 4.364 5.026 . 0 0 "[ . 1 . ]" 1
603 2 24 LEU MD1 2 81 TRP HZ3 0.000 . 6.530 4.805 3.644 5.344 . 0 0 "[ . 1 . ]" 1
604 2 24 LEU MD1 2 81 TRP HZ2 0.000 . 6.250 4.583 3.758 5.033 . 0 0 "[ . 1 . ]" 1
605 2 24 LEU MD1 2 81 TRP HH2 0.000 . 6.530 4.762 3.460 5.360 . 0 0 "[ . 1 . ]" 1
606 2 24 LEU MD2 2 25 HIS H 0.000 . 6.530 4.529 4.480 4.585 . 0 0 "[ . 1 . ]" 1
607 2 24 LEU MD2 2 81 TRP HE1 0.000 . 6.530 4.414 3.876 4.750 . 0 0 "[ . 1 . ]" 1
608 2 24 LEU MD2 2 81 TRP HZ3 0.000 . 6.530 4.588 3.940 5.393 . 0 0 "[ . 1 . ]" 1
609 2 24 LEU MD2 2 81 TRP HZ2 0.000 . 6.190 3.767 3.075 4.582 . 0 0 "[ . 1 . ]" 1
610 2 24 LEU MD2 2 81 TRP HH2 0.000 . 6.530 4.063 3.371 5.149 . 0 0 "[ . 1 . ]" 1
611 2 24 LEU O 2 28 LYS N 0.000 . 3.300 3.199 3.050 3.301 0.001 12 0 "[ . 1 . ]" 1
612 2 24 LEU O 2 28 LYS H 0.000 . 2.300 2.295 2.124 2.352 0.052 14 0 "[ . 1 . ]" 1
613 2 25 HIS H 2 25 HIS HA 0.000 . 2.740 2.791 2.769 2.804 0.064 1 0 "[ . 1 . ]" 1
614 2 25 HIS H 2 25 HIS HB2 0.000 . 2.770 2.738 2.696 2.764 . 0 0 "[ . 1 . ]" 1
615 2 25 HIS H 2 25 HIS HB3 0.000 . 2.770 2.314 2.288 2.414 . 0 0 "[ . 1 . ]" 1
616 2 25 HIS H 2 25 HIS HD2 0.000 . 5.160 4.772 4.723 4.913 . 0 0 "[ . 1 . ]" 1
617 2 25 HIS H 2 26 ALA H 0.000 . 2.930 2.910 2.871 2.961 0.031 6 0 "[ . 1 . ]" 1
618 2 25 HIS H 2 27 HIS H 0.000 . 5.500 3.817 3.677 3.982 . 0 0 "[ . 1 . ]" 1
619 2 25 HIS HA 2 26 ALA H 0.000 . 3.390 3.484 3.480 3.490 0.100 16 0 "[ . 1 . ]" 1
620 2 25 HIS HA 2 28 LYS H 0.000 . 4.110 3.514 3.349 3.737 . 0 0 "[ . 1 . ]" 1
621 2 25 HIS HB2 2 26 ALA H 0.000 . 3.170 3.453 3.441 3.460 0.290 13 0 "[ . 1 . ]" 1
622 2 25 HIS HB3 2 26 ALA H 0.000 . 3.170 1.973 1.947 1.995 . 0 0 "[ . 1 . ]" 1
623 2 25 HIS HD2 2 26 ALA H 0.000 . 3.760 2.319 2.198 2.497 . 0 0 "[ . 1 . ]" 1
624 2 25 HIS HD2 2 26 ALA HA 0.000 . 2.400 2.468 2.441 2.488 0.088 14 0 "[ . 1 . ]" 1
625 2 25 HIS HD2 2 26 ALA MB 0.000 . 5.570 2.735 2.540 3.027 . 0 0 "[ . 1 . ]" 1
626 2 25 HIS HD2 2 29 CYS HA 0.000 . 5.500 5.558 5.520 5.595 0.095 7 0 "[ . 1 . ]" 1
627 2 25 HIS HD2 2 29 CYS HB2 0.000 . 3.920 3.053 2.991 3.159 . 0 0 "[ . 1 . ]" 1
628 2 25 HIS HD2 2 29 CYS HB3 0.000 . 3.920 3.618 3.532 3.796 . 0 0 "[ . 1 . ]" 1
629 2 25 HIS HD2 2 29 CYS QB 0.000 . 3.680 2.899 2.844 2.975 . 0 0 "[ . 1 . ]" 1
630 2 25 HIS HD2 2 44 LEU QB 0.000 . 6.380 4.707 4.301 5.477 . 0 0 "[ . 1 . ]" 1
631 2 25 HIS HD2 2 44 LEU MD1 0.000 . 6.530 4.717 3.461 5.440 . 0 0 "[ . 1 . ]" 1
632 2 25 HIS HD2 2 44 LEU MD2 0.000 . 6.530 4.688 2.829 5.282 . 0 0 "[ . 1 . ]" 1
633 2 25 HIS HD2 2 47 CYS HB2 0.000 . 3.610 2.549 2.173 3.698 0.088 14 0 "[ . 1 . ]" 1
634 2 25 HIS HD2 2 47 CYS HB3 0.000 . 3.610 3.325 2.043 3.722 0.112 4 0 "[ . 1 . ]" 1
635 2 25 HIS HD2 2 47 CYS QB 0.000 . 3.210 2.165 2.033 2.273 . 0 0 "[ . 1 . ]" 1
636 2 25 HIS HE1 2 26 ALA HA 0.000 . 5.500 5.520 5.459 5.580 0.080 6 0 "[ . 1 . ]" 1
637 2 25 HIS HE1 2 29 CYS HA 0.000 . 4.940 4.415 4.231 4.612 . 0 0 "[ . 1 . ]" 1
638 2 25 HIS HE1 2 29 CYS HB2 0.000 . 4.850 3.502 3.194 3.666 . 0 0 "[ . 1 . ]" 1
639 2 25 HIS HE1 2 29 CYS HB3 0.000 . 4.850 4.873 4.857 4.886 0.036 16 0 "[ . 1 . ]" 1
640 2 25 HIS HE1 2 29 CYS QB 0.000 . 4.250 3.426 3.153 3.566 . 0 0 "[ . 1 . ]" 1
641 2 25 HIS HE1 2 44 LEU QB 0.000 . 6.380 4.377 3.788 5.576 . 0 0 "[ . 1 . ]" 1
642 2 25 HIS HE1 2 44 LEU MD1 0.000 . 6.500 3.187 2.267 5.279 . 0 0 "[ . 1 . ]" 1
643 2 25 HIS HE1 2 44 LEU MD2 0.000 . 6.530 4.525 3.263 5.306 . 0 0 "[ . 1 . ]" 1
644 2 25 HIS O 2 29 CYS N 0.000 . 3.300 2.457 2.387 2.515 . 0 0 "[ . 1 . ]" 1
645 2 25 HIS O 2 29 CYS H 0.000 . 2.300 1.518 1.475 1.573 . 0 0 "[ . 1 . ]" 1
646 2 26 ALA H 2 27 HIS H 0.000 . 3.240 2.922 2.827 3.009 . 0 0 "[ . 1 . ]" 1
647 2 26 ALA H 2 28 LYS H 0.000 . 5.500 4.571 4.376 4.893 . 0 0 "[ . 1 . ]" 1
648 2 26 ALA HA 2 29 CYS H 0.000 . 5.500 3.290 3.151 3.453 . 0 0 "[ . 1 . ]" 1
649 2 26 ALA MB 2 51 LYS H 0.000 . 6.530 3.319 2.779 3.685 . 0 0 "[ . 1 . ]" 1
650 2 26 ALA O 2 30 GLN N 0.000 . 3.300 3.247 3.056 3.304 0.004 10 0 "[ . 1 . ]" 1
651 2 26 ALA O 2 30 GLN H 0.000 . 2.300 2.279 2.098 2.335 0.035 3 0 "[ . 1 . ]" 1
652 2 27 HIS H 2 27 HIS QB 0.000 . 3.620 2.189 2.017 2.260 . 0 0 "[ . 1 . ]" 1
653 2 27 HIS H 2 28 LYS H 0.000 . 2.990 2.699 2.504 2.907 . 0 0 "[ . 1 . ]" 1
654 2 27 HIS H 2 29 CYS H 0.000 . 5.500 3.643 3.567 3.715 . 0 0 "[ . 1 . ]" 1
655 2 27 HIS QB 2 54 LEU MD2 0.000 . 6.970 4.637 4.155 4.828 . 0 0 "[ . 1 . ]" 1
656 2 27 HIS HD2 2 31 ARG QB 0.000 . 6.380 5.641 5.272 5.770 . 0 0 "[ . 1 . ]" 1
657 2 28 LYS H 2 28 LYS QB 0.000 . 3.740 2.588 2.327 2.772 . 0 0 "[ . 1 . ]" 1
658 2 28 LYS H 2 28 LYS HG2 0.000 . 3.980 2.809 1.988 3.992 0.012 10 0 "[ . 1 . ]" 1
659 2 28 LYS H 2 28 LYS HG3 0.000 . 3.980 2.813 1.968 3.588 . 0 0 "[ . 1 . ]" 1
660 2 28 LYS H 2 28 LYS QG 0.000 . 3.670 2.270 1.952 3.011 . 0 0 "[ . 1 . ]" 1
661 2 28 LYS H 2 28 LYS QE 0.000 . 4.420 3.686 3.120 4.027 . 0 0 "[ . 1 . ]" 1
662 2 28 LYS H 2 29 CYS H 0.000 . 2.900 2.281 2.162 2.478 . 0 0 "[ . 1 . ]" 1
663 2 28 LYS H 2 30 GLN H 0.000 . 5.500 4.474 4.190 4.650 . 0 0 "[ . 1 . ]" 1
664 2 28 LYS HA 2 31 ARG H 0.000 . 3.420 3.235 3.116 3.357 . 0 0 "[ . 1 . ]" 1
665 2 28 LYS QB 2 29 CYS H 0.000 . 6.380 3.170 2.826 3.657 . 0 0 "[ . 1 . ]" 1
666 2 29 CYS H 2 29 CYS HB2 0.000 . 3.020 2.373 2.256 2.579 . 0 0 "[ . 1 . ]" 1
667 2 29 CYS H 2 29 CYS HB3 0.000 . 3.020 2.697 2.487 2.840 . 0 0 "[ . 1 . ]" 1
668 2 29 CYS H 2 29 CYS QB 0.000 . 2.790 2.217 2.174 2.254 . 0 0 "[ . 1 . ]" 1
669 2 29 CYS H 2 30 GLN H 0.000 . 3.300 2.865 2.758 2.949 . 0 0 "[ . 1 . ]" 1
670 2 29 CYS HA 2 32 ARG H 0.000 . 3.420 3.448 3.414 3.481 0.061 6 0 "[ . 1 . ]" 1
671 2 29 CYS QB 2 30 GLN H 0.000 . 4.180 2.282 2.107 2.545 . 0 0 "[ . 1 . ]" 1
672 2 30 GLN H 2 30 GLN HA 0.000 . 2.800 2.823 2.809 2.841 0.041 1 0 "[ . 1 . ]" 1
673 2 30 GLN H 2 31 ARG H 0.000 . 3.050 2.537 2.453 2.599 . 0 0 "[ . 1 . ]" 1
674 2 30 GLN HA 2 31 ARG H 0.000 . 3.240 3.393 3.379 3.415 0.175 16 0 "[ . 1 . ]" 1
675 2 30 GLN HB2 2 31 ARG H 0.000 . 3.670 3.546 3.252 3.705 0.035 9 0 "[ . 1 . ]" 1
676 2 30 GLN HB3 2 31 ARG H 0.000 . 3.670 3.362 3.036 3.673 0.003 12 0 "[ . 1 . ]" 1
677 2 30 GLN QB 2 31 ARG H 0.000 . 3.350 3.041 2.905 3.102 . 0 0 "[ . 1 . ]" 1
678 2 30 GLN QG 2 31 ARG H 0.000 . 6.380 4.575 4.400 4.747 . 0 0 "[ . 1 . ]" 1
679 2 30 GLN HE21 2 51 LYS HA 0.000 . 5.500 4.576 3.382 5.504 0.004 7 0 "[ . 1 . ]" 1
680 2 30 GLN HE22 2 51 LYS HA 0.000 . 5.500 5.077 3.464 5.511 0.011 2 0 "[ . 1 . ]" 1
681 2 30 GLN QE 2 51 LYS QB 0.000 . 7.240 3.561 2.415 4.471 . 0 0 "[ . 1 . ]" 1
682 2 31 ARG H 2 31 ARG HA 0.000 . 2.900 2.905 2.900 2.907 0.007 14 0 "[ . 1 . ]" 1
683 2 31 ARG H 2 31 ARG QB 0.000 . 3.710 2.314 2.184 2.467 . 0 0 "[ . 1 . ]" 1
684 2 31 ARG H 2 31 ARG QG 0.000 . 4.640 3.855 2.481 4.084 . 0 0 "[ . 1 . ]" 1
685 2 31 ARG H 2 32 ARG H 0.000 . 5.500 2.286 2.268 2.321 . 0 0 "[ . 1 . ]" 1
686 2 31 ARG H 2 33 GLU H 0.000 . 4.450 4.264 4.114 4.407 . 0 0 "[ . 1 . ]" 1
687 2 31 ARG HA 2 32 ARG H 0.000 . 3.110 3.301 3.297 3.309 0.199 5 0 "[ . 1 . ]" 1
688 2 31 ARG HA 2 34 GLN H 0.000 . 3.730 3.290 2.942 3.646 . 0 0 "[ . 1 . ]" 1
689 2 32 ARG H 2 33 GLU H 0.000 . 5.500 2.471 2.275 2.643 . 0 0 "[ . 1 . ]" 1
690 2 32 ARG HA 2 35 ALA H 0.000 . 5.500 3.794 3.575 4.179 . 0 0 "[ . 1 . ]" 1
691 2 32 ARG QD 2 39 VAL MG1 0.000 . 7.400 4.080 2.743 5.092 . 0 0 "[ . 1 . ]" 1
692 2 32 ARG QD 2 39 VAL MG2 0.000 . 7.400 4.337 3.146 5.343 . 0 0 "[ . 1 . ]" 1
693 2 33 GLU H 2 33 GLU QB 0.000 . 3.650 2.536 2.226 2.727 . 0 0 "[ . 1 . ]" 1
694 2 33 GLU H 2 33 GLU QG 0.000 . 4.210 2.267 1.960 2.920 . 0 0 "[ . 1 . ]" 1
695 2 33 GLU HA 2 36 ASN H 0.000 . 3.300 3.113 2.859 3.293 . 0 0 "[ . 1 . ]" 1
696 2 33 GLU HG2 2 39 VAL MG1 0.000 . 8.280 3.938 2.945 6.291 . 0 0 "[ . 1 . ]" 1
697 2 33 GLU HG2 2 39 VAL MG2 0.000 . 8.280 2.868 1.972 4.486 . 0 0 "[ . 1 . ]" 1
698 2 33 GLU HG3 2 39 VAL MG1 0.000 . 8.280 4.512 1.878 6.609 . 0 0 "[ . 1 . ]" 1
699 2 33 GLU HG3 2 39 VAL MG2 0.000 . 8.280 3.471 1.938 4.504 . 0 0 "[ . 1 . ]" 1
700 2 33 GLU QG 2 39 VAL QG 0.000 . 7.240 2.478 1.828 3.898 . 0 0 "[ . 1 . ]" 1
701 2 34 GLN H 2 34 GLN QB 0.000 . 3.590 2.200 2.039 2.611 . 0 0 "[ . 1 . ]" 1
702 2 34 GLN H 2 34 GLN QG 0.000 . 4.520 3.547 2.068 4.043 . 0 0 "[ . 1 . ]" 1
703 2 34 GLN H 2 35 ALA H 0.000 . 5.500 2.684 2.617 2.758 . 0 0 "[ . 1 . ]" 1
704 2 34 GLN H 2 35 ALA MB 0.000 . 6.530 4.401 4.317 4.475 . 0 0 "[ . 1 . ]" 1
705 2 34 GLN HA 2 37 GLY H 0.000 . 5.500 4.205 3.868 4.574 . 0 0 "[ . 1 . ]" 1
706 2 34 GLN QB 2 35 ALA H 0.000 . 4.240 2.848 2.613 2.954 . 0 0 "[ . 1 . ]" 1
707 2 34 GLN QB 2 36 ASN H 0.000 . 6.380 4.755 4.486 5.012 . 0 0 "[ . 1 . ]" 1
708 2 35 ALA HA 2 37 GLY H 0.000 . 3.760 3.719 3.509 3.788 0.028 4 0 "[ . 1 . ]" 1
709 2 35 ALA MB 2 36 ASN HA 0.000 . 6.530 3.907 3.794 3.989 . 0 0 "[ . 1 . ]" 1
710 2 35 ALA MB 2 37 GLY H 0.000 . 6.530 4.280 4.180 4.385 . 0 0 "[ . 1 . ]" 1
711 2 36 ASN H 2 37 GLY H 0.000 . 5.500 2.696 2.499 2.814 . 0 0 "[ . 1 . ]" 1
712 2 36 ASN QB 2 38 GLU H 0.000 . 6.380 5.514 5.228 5.741 . 0 0 "[ . 1 . ]" 1
713 2 37 GLY H 2 39 VAL QG 0.000 . 7.620 4.106 3.852 5.076 . 0 0 "[ . 1 . ]" 1
714 2 38 GLU H 2 38 GLU HA 0.000 . 2.800 2.835 2.795 2.864 0.064 16 0 "[ . 1 . ]" 1
715 2 38 GLU H 2 38 GLU QG 0.000 . 4.860 3.948 3.322 4.034 . 0 0 "[ . 1 . ]" 1
716 2 38 GLU H 2 39 VAL QG 0.000 . 7.620 4.275 4.117 4.813 . 0 0 "[ . 1 . ]" 1
717 2 38 GLU HA 2 39 VAL H 0.000 . 2.400 2.161 2.142 2.182 . 0 0 "[ . 1 . ]" 1
718 2 38 GLU HA 2 39 VAL QG 0.000 . 8.090 3.540 3.248 3.641 . 0 0 "[ . 1 . ]" 1
719 2 38 GLU QB 2 39 VAL QG 0.000 . 8.960 4.459 4.377 4.567 . 0 0 "[ . 1 . ]" 1
720 2 38 GLU QG 2 39 VAL H 0.000 . 6.380 3.188 2.348 4.006 . 0 0 "[ . 1 . ]" 1
721 2 38 GLU QG 2 40 ARG H 0.000 . 6.380 5.288 5.079 5.663 . 0 0 "[ . 1 . ]" 1
722 2 39 VAL H 2 39 VAL HB 0.000 . 2.710 2.755 2.732 2.775 0.065 3 0 "[ . 1 . ]" 1
723 2 39 VAL H 2 40 ARG H 0.000 . 5.500 4.513 4.484 4.548 . 0 0 "[ . 1 . ]" 1
724 2 39 VAL HA 2 40 ARG H 0.000 . 2.400 2.336 2.332 2.339 . 0 0 "[ . 1 . ]" 1
725 2 39 VAL HB 2 40 ARG H 0.000 . 3.390 3.458 3.445 3.469 0.079 9 0 "[ . 1 . ]" 1
726 2 39 VAL QG 2 40 ARG H 0.000 . 7.620 1.945 1.889 1.997 . 0 0 "[ . 1 . ]" 1
727 2 40 ARG H 2 40 ARG QB 0.000 . 3.900 2.321 2.047 2.652 . 0 0 "[ . 1 . ]" 1
728 2 40 ARG HA 2 41 GLN H 0.000 . 2.400 2.338 2.207 2.399 . 0 0 "[ . 1 . ]" 1
729 2 40 ARG QG 2 41 GLN H 0.000 . 6.380 3.134 1.912 4.290 . 0 0 "[ . 1 . ]" 1
730 2 41 GLN QB 2 42 CYS H 0.000 . 4.490 3.600 3.207 3.931 . 0 0 "[ . 1 . ]" 1
731 2 41 GLN QB 2 43 ASN QD 0.000 . 7.250 4.320 2.808 5.732 . 0 0 "[ . 1 . ]" 1
732 2 41 GLN QG 2 42 CYS H 0.000 . 6.380 4.199 3.150 4.831 . 0 0 "[ . 1 . ]" 1
733 2 41 GLN QG 2 43 ASN QD 0.000 . 7.250 4.940 3.543 5.814 . 0 0 "[ . 1 . ]" 1
734 2 42 CYS H 2 42 CYS HA 0.000 . 2.400 2.645 2.644 2.646 0.246 8 0 "[ . 1 . ]" 1
735 2 42 CYS H 2 42 CYS QB 0.000 . 3.710 2.218 2.059 2.486 . 0 0 "[ . 1 . ]" 1
736 2 42 CYS H 2 43 ASN H 0.000 . 5.500 4.439 4.246 4.622 . 0 0 "[ . 1 . ]" 1
737 2 42 CYS HA 2 43 ASN H 0.000 . 2.590 2.186 2.150 2.303 . 0 0 "[ . 1 . ]" 1
738 2 43 ASN H 2 43 ASN HB2 0.000 . 3.580 2.319 2.072 2.628 . 0 0 "[ . 1 . ]" 1
739 2 43 ASN H 2 43 ASN HB3 0.000 . 3.580 3.462 2.991 3.600 0.020 10 0 "[ . 1 . ]" 1
740 2 43 ASN H 2 43 ASN QB 0.000 . 3.290 2.283 2.048 2.567 . 0 0 "[ . 1 . ]" 1
741 2 43 ASN HA 2 43 ASN HD22 0.000 . 5.500 3.627 3.321 4.010 . 0 0 "[ . 1 . ]" 1
742 2 44 LEU MD2 2 47 CYS QB 0.000 . 7.400 3.659 1.919 4.881 . 0 0 "[ . 1 . ]" 1
743 2 45 PRO O 2 49 THR N 0.000 . 3.300 3.108 2.816 3.285 . 0 0 "[ . 1 . ]" 1
744 2 45 PRO O 2 49 THR H 0.000 . 2.300 2.193 1.864 2.311 0.011 4 0 "[ . 1 . ]" 1
745 2 46 HIS O 2 50 MET N 0.000 . 3.300 2.923 2.739 3.206 . 0 0 "[ . 1 . ]" 1
746 2 46 HIS O 2 50 MET H 0.000 . 2.300 2.004 1.817 2.322 0.022 3 0 "[ . 1 . ]" 1
747 2 47 CYS H 2 47 CYS HB2 0.000 . 3.480 2.610 2.393 3.548 0.068 17 0 "[ . 1 . ]" 1
748 2 47 CYS H 2 47 CYS HB3 0.000 . 3.480 2.754 2.428 3.555 0.075 5 0 "[ . 1 . ]" 1
749 2 47 CYS H 2 47 CYS QB 0.000 . 3.210 2.360 2.222 2.835 . 0 0 "[ . 1 . ]" 1
750 2 47 CYS HB2 2 48 ARG H 0.000 . 3.390 3.203 1.969 3.556 0.166 4 0 "[ . 1 . ]" 1
751 2 47 CYS HB3 2 48 ARG H 0.000 . 3.390 2.368 1.974 3.604 0.214 17 0 "[ . 1 . ]" 1
752 2 47 CYS QB 2 48 ARG H 0.000 . 3.100 2.041 1.958 2.520 . 0 0 "[ . 1 . ]" 1
753 2 47 CYS O 2 51 LYS N 0.000 . 3.300 2.805 2.610 3.242 . 0 0 "[ . 1 . ]" 1
754 2 47 CYS O 2 51 LYS H 0.000 . 2.300 1.876 1.687 2.333 0.033 3 0 "[ . 1 . ]" 1
755 2 48 ARG H 2 49 THR H 0.000 . 2.930 2.957 2.844 2.986 0.056 13 0 "[ . 1 . ]" 1
756 2 48 ARG O 2 52 ASN N 0.000 . 3.300 3.142 3.018 3.227 . 0 0 "[ . 1 . ]" 1
757 2 48 ARG O 2 52 ASN H 0.000 . 2.300 2.294 2.178 2.332 0.032 10 0 "[ . 1 . ]" 1
758 2 49 THR H 2 50 MET H 0.000 . 2.990 2.692 2.615 2.797 . 0 0 "[ . 1 . ]" 1
759 2 49 THR HA 2 52 ASN HB2 0.000 . 3.390 2.892 2.827 2.953 . 0 0 "[ . 1 . ]" 1
760 2 49 THR HA 2 52 ASN HB3 0.000 . 3.390 3.392 3.366 3.411 0.021 2 0 "[ . 1 . ]" 1
761 2 49 THR HA 2 52 ASN QB 0.000 . 2.970 2.739 2.692 2.774 . 0 0 "[ . 1 . ]" 1
762 2 49 THR MG 2 50 MET H 0.000 . 6.530 3.650 3.378 4.105 . 0 0 "[ . 1 . ]" 1
763 2 49 THR MG 2 50 MET ME 0.000 . 6.940 3.502 2.682 4.619 . 0 0 "[ . 1 . ]" 1
764 2 49 THR MG 2 52 ASN HB2 0.000 . 6.530 4.139 3.899 4.317 . 0 0 "[ . 1 . ]" 1
765 2 49 THR MG 2 52 ASN HB3 0.000 . 6.530 3.683 3.530 4.385 . 0 0 "[ . 1 . ]" 1
766 2 49 THR O 2 53 VAL N 0.000 . 3.300 2.736 2.632 2.888 . 0 0 "[ . 1 . ]" 1
767 2 49 THR O 2 53 VAL H 0.000 . 2.300 1.806 1.682 1.948 . 0 0 "[ . 1 . ]" 1
768 2 50 MET H 2 50 MET ME 0.000 . 6.530 3.945 3.013 4.435 . 0 0 "[ . 1 . ]" 1
769 2 50 MET H 2 51 LYS H 0.000 . 3.110 2.650 2.596 2.705 . 0 0 "[ . 1 . ]" 1
770 2 50 MET HA 2 53 VAL H 0.000 . 2.830 2.911 2.887 2.942 0.112 12 0 "[ . 1 . ]" 1
771 2 50 MET HA 2 53 VAL MG1 0.000 . 6.000 3.831 3.686 3.939 . 0 0 "[ . 1 . ]" 1
772 2 50 MET HA 2 53 VAL MG2 0.000 . 4.980 2.547 2.251 2.665 . 0 0 "[ . 1 . ]" 1
773 2 50 MET HA 2 54 LEU H 0.000 . 3.520 3.561 3.543 3.576 0.056 3 0 "[ . 1 . ]" 1
774 2 50 MET QB 2 51 LYS H 0.000 . 4.360 2.726 2.589 2.818 . 0 0 "[ . 1 . ]" 1
775 2 50 MET QG 2 51 LYS H 0.000 . 6.380 4.435 4.185 4.605 . 0 0 "[ . 1 . ]" 1
776 2 50 MET ME 2 70 HIS HB2 0.000 . 6.400 4.056 3.586 4.633 . 0 0 "[ . 1 . ]" 1
777 2 50 MET ME 2 70 HIS HB3 0.000 . 6.400 2.818 2.267 3.492 . 0 0 "[ . 1 . ]" 1
778 2 50 MET ME 2 70 HIS QB 0.000 . 5.980 2.766 2.244 3.396 . 0 0 "[ . 1 . ]" 1
779 2 50 MET ME 2 70 HIS HD2 0.000 . 6.530 5.041 4.672 5.429 . 0 0 "[ . 1 . ]" 1
780 2 50 MET O 2 54 LEU N 0.000 . 3.300 2.478 2.440 2.505 . 0 0 "[ . 1 . ]" 1
781 2 50 MET O 2 54 LEU H 0.000 . 2.300 1.567 1.504 1.635 . 0 0 "[ . 1 . ]" 1
782 2 51 LYS H 2 51 LYS HA 0.000 . 2.770 2.788 2.778 2.805 0.035 15 0 "[ . 1 . ]" 1
783 2 51 LYS H 2 51 LYS QB 0.000 . 3.500 2.118 2.055 2.174 . 0 0 "[ . 1 . ]" 1
784 2 51 LYS H 2 51 LYS HG2 0.000 . 5.500 4.223 3.754 4.442 . 0 0 "[ . 1 . ]" 1
785 2 51 LYS H 2 51 LYS HG3 0.000 . 5.500 3.882 3.210 4.488 . 0 0 "[ . 1 . ]" 1
786 2 51 LYS H 2 51 LYS QG 0.000 . 4.640 3.518 3.128 3.844 . 0 0 "[ . 1 . ]" 1
787 2 51 LYS H 2 51 LYS HE2 0.000 . 5.500 5.359 5.158 5.506 0.006 9 0 "[ . 1 . ]" 1
788 2 51 LYS H 2 51 LYS HE3 0.000 . 5.500 5.244 4.827 5.518 0.018 13 0 "[ . 1 . ]" 1
789 2 51 LYS H 2 52 ASN H 0.000 . 2.860 2.617 2.557 2.663 . 0 0 "[ . 1 . ]" 1
790 2 51 LYS HB2 2 52 ASN H 0.000 . 3.270 3.089 2.844 3.374 0.104 2 0 "[ . 1 . ]" 1
791 2 51 LYS HB3 2 52 ASN H 0.000 . 3.270 3.002 2.454 3.299 0.029 10 0 "[ . 1 . ]" 1
792 2 51 LYS QB 2 52 ASN H 0.000 . 2.980 2.635 2.398 2.779 . 0 0 "[ . 1 . ]" 1
793 2 51 LYS HD2 2 52 ASN H 0.000 . 5.500 4.974 3.981 5.529 0.029 13 0 "[ . 1 . ]" 1
794 2 51 LYS HD3 2 52 ASN H 0.000 . 5.500 5.130 4.305 5.565 0.065 12 0 "[ . 1 . ]" 1
795 2 51 LYS O 2 55 ASN N 0.000 . 3.300 3.156 2.898 3.266 . 0 0 "[ . 1 . ]" 1
796 2 51 LYS O 2 55 ASN H 0.000 . 2.300 2.255 1.998 2.330 0.030 15 0 "[ . 1 . ]" 1
797 2 52 ASN H 2 52 ASN HA 0.000 . 2.800 2.847 2.817 2.859 0.059 8 0 "[ . 1 . ]" 1
798 2 52 ASN H 2 52 ASN QB 0.000 . 3.530 2.131 2.098 2.149 . 0 0 "[ . 1 . ]" 1
799 2 52 ASN H 2 53 VAL H 0.000 . 2.960 2.547 2.465 2.693 . 0 0 "[ . 1 . ]" 1
800 2 52 ASN HA 2 55 ASN H 0.000 . 3.520 3.525 3.493 3.540 0.020 4 0 "[ . 1 . ]" 1
801 2 52 ASN HB2 2 53 VAL H 0.000 . 3.390 3.412 3.402 3.437 0.047 2 0 "[ . 1 . ]" 1
802 2 52 ASN HB3 2 53 VAL H 0.000 . 3.390 2.581 2.417 2.759 . 0 0 "[ . 1 . ]" 1
803 2 52 ASN QB 2 53 VAL H 0.000 . 3.180 2.508 2.371 2.647 . 0 0 "[ . 1 . ]" 1
804 2 52 ASN O 2 56 HIS N 0.000 . 3.300 3.184 3.132 3.220 . 0 0 "[ . 1 . ]" 1
805 2 52 ASN O 2 56 HIS H 0.000 . 2.300 2.330 2.311 2.349 0.049 12 0 "[ . 1 . ]" 1
806 2 53 VAL H 2 53 VAL HB 0.000 . 2.710 2.588 2.552 2.631 . 0 0 "[ . 1 . ]" 1
807 2 53 VAL H 2 54 LEU H 0.000 . 3.020 2.580 2.540 2.629 . 0 0 "[ . 1 . ]" 1
808 2 53 VAL HA 2 54 LEU H 0.000 . 3.480 3.505 3.489 3.528 0.048 6 0 "[ . 1 . ]" 1
809 2 53 VAL HA 2 56 HIS H 0.000 . 3.330 3.360 3.341 3.378 0.048 8 0 "[ . 1 . ]" 1
810 2 53 VAL HA 2 56 HIS HD2 0.000 . 3.980 3.944 3.801 4.008 0.028 2 0 "[ . 1 . ]" 1
811 2 53 VAL HB 2 54 LEU H 0.000 . 2.900 2.789 2.676 2.864 . 0 0 "[ . 1 . ]" 1
812 2 53 VAL MG1 2 56 HIS HD2 0.000 . 6.530 3.493 3.212 3.795 . 0 0 "[ . 1 . ]" 1
813 2 53 VAL MG1 2 57 MET QG 0.000 . 7.310 4.725 4.308 5.000 . 0 0 "[ . 1 . ]" 1
814 2 53 VAL MG1 2 70 HIS HA 0.000 . 6.530 3.695 3.508 3.959 . 0 0 "[ . 1 . ]" 1
815 2 53 VAL MG1 2 70 HIS HB2 0.000 . 5.380 2.337 2.008 2.550 . 0 0 "[ . 1 . ]" 1
816 2 53 VAL MG1 2 70 HIS HB3 0.000 . 5.380 2.020 1.867 2.245 . 0 0 "[ . 1 . ]" 1
817 2 53 VAL MG1 2 70 HIS QB 0.000 . 5.140 1.900 1.718 2.079 . 0 0 "[ . 1 . ]" 1
818 2 53 VAL MG1 2 70 HIS HD2 0.000 . 6.530 4.453 4.106 4.626 . 0 0 "[ . 1 . ]" 1
819 2 53 VAL MG1 2 71 CYS HA 0.000 . 5.380 2.705 2.372 3.143 . 0 0 "[ . 1 . ]" 1
820 2 53 VAL MG2 2 54 LEU H 0.000 . 6.530 3.834 3.802 3.884 . 0 0 "[ . 1 . ]" 1
821 2 53 VAL MG2 2 56 HIS HD2 0.000 . 6.530 4.624 4.532 4.766 . 0 0 "[ . 1 . ]" 1
822 2 53 VAL MG2 2 70 HIS HA 0.000 . 6.530 4.646 4.314 5.051 . 0 0 "[ . 1 . ]" 1
823 2 53 VAL MG2 2 70 HIS HB2 0.000 . 5.410 2.464 2.189 2.880 . 0 0 "[ . 1 . ]" 1
824 2 53 VAL MG2 2 70 HIS HB3 0.000 . 5.410 2.580 2.118 3.038 . 0 0 "[ . 1 . ]" 1
825 2 53 VAL MG2 2 70 HIS QB 0.000 . 5.020 2.224 2.010 2.544 . 0 0 "[ . 1 . ]" 1
826 2 53 VAL MG2 2 70 HIS HD2 0.000 . 4.330 3.478 3.408 3.551 . 0 0 "[ . 1 . ]" 1
827 2 53 VAL MG2 2 71 CYS HA 0.000 . 6.530 4.970 4.583 5.382 . 0 0 "[ . 1 . ]" 1
828 2 53 VAL O 2 57 MET N 0.000 . 3.300 3.000 2.836 3.144 . 0 0 "[ . 1 . ]" 1
829 2 53 VAL O 2 57 MET H 0.000 . 2.300 2.025 1.864 2.162 . 0 0 "[ . 1 . ]" 1
830 2 54 LEU H 2 54 LEU HB2 0.000 . 3.080 2.043 2.036 2.057 . 0 0 "[ . 1 . ]" 1
831 2 54 LEU H 2 54 LEU HB3 0.000 . 3.080 3.360 3.353 3.372 0.292 3 0 "[ . 1 . ]" 1
832 2 54 LEU H 2 54 LEU QB 0.000 . 2.750 2.026 2.019 2.040 . 0 0 "[ . 1 . ]" 1
833 2 54 LEU H 2 54 LEU HG 0.000 . 2.960 3.034 3.015 3.047 0.087 7 0 "[ . 1 . ]" 1
834 2 54 LEU H 2 55 ASN H 0.000 . 2.990 2.617 2.540 2.658 . 0 0 "[ . 1 . ]" 1
835 2 54 LEU HA 2 55 ASN H 0.000 . 3.420 3.525 3.508 3.538 0.118 15 0 "[ . 1 . ]" 1
836 2 54 LEU HA 2 57 MET H 0.000 . 3.550 3.611 3.587 3.629 0.079 3 0 "[ . 1 . ]" 1
837 2 54 LEU HB2 2 55 ASN H 0.000 . 3.330 2.757 2.660 2.884 . 0 0 "[ . 1 . ]" 1
838 2 54 LEU HB3 2 55 ASN H 0.000 . 3.330 3.071 2.938 3.210 . 0 0 "[ . 1 . ]" 1
839 2 54 LEU QB 2 55 ASN H 0.000 . 3.030 2.570 2.473 2.688 . 0 0 "[ . 1 . ]" 1
840 2 54 LEU HG 2 55 ASN H 0.000 . 5.500 4.791 4.743 4.863 . 0 0 "[ . 1 . ]" 1
841 2 54 LEU MD1 2 55 ASN H 0.000 . 6.530 4.539 4.455 4.685 . 0 0 "[ . 1 . ]" 1
842 2 54 LEU MD2 2 55 ASN H 0.000 . 6.530 4.515 4.445 4.612 . 0 0 "[ . 1 . ]" 1
843 2 54 LEU MD2 2 57 MET ME 0.000 . 6.440 2.106 1.790 2.478 . 0 0 "[ . 1 . ]" 1
844 2 54 LEU MD2 2 58 THR H 0.000 . 6.530 4.503 4.029 4.925 . 0 0 "[ . 1 . ]" 1
845 2 54 LEU O 2 58 THR N 0.000 . 3.300 3.014 2.713 3.190 . 0 0 "[ . 1 . ]" 1
846 2 54 LEU O 2 58 THR H 0.000 . 2.300 2.082 1.770 2.251 . 0 0 "[ . 1 . ]" 1
847 2 55 ASN H 2 55 ASN QB 0.000 . 3.680 2.169 2.059 2.266 . 0 0 "[ . 1 . ]" 1
848 2 55 ASN H 2 56 HIS H 0.000 . 2.930 2.611 2.561 2.666 . 0 0 "[ . 1 . ]" 1
849 2 55 ASN HA 2 58 THR H 0.000 . 3.790 3.741 3.605 3.808 0.018 8 0 "[ . 1 . ]" 1
850 2 55 ASN QB 2 56 HIS H 0.000 . 4.020 2.731 2.635 2.793 . 0 0 "[ . 1 . ]" 1
851 2 56 HIS H 2 56 HIS HA 0.000 . 2.930 2.825 2.810 2.842 . 0 0 "[ . 1 . ]" 1
852 2 56 HIS H 2 56 HIS HB2 0.000 . 2.800 2.593 2.512 2.663 . 0 0 "[ . 1 . ]" 1
853 2 56 HIS H 2 56 HIS HB3 0.000 . 2.800 2.402 2.329 2.479 . 0 0 "[ . 1 . ]" 1
854 2 56 HIS H 2 56 HIS QB 0.000 . 2.550 2.211 2.189 2.234 . 0 0 "[ . 1 . ]" 1
855 2 56 HIS H 2 57 MET H 0.000 . 2.800 2.814 2.767 2.837 0.037 13 0 "[ . 1 . ]" 1
856 2 56 HIS HA 2 57 MET H 0.000 . 3.610 3.524 3.515 3.533 . 0 0 "[ . 1 . ]" 1
857 2 56 HIS HA 2 59 HIS H 0.000 . 4.290 3.701 3.559 3.798 . 0 0 "[ . 1 . ]" 1
858 2 56 HIS HB2 2 57 MET H 0.000 . 3.300 3.512 3.492 3.540 0.240 13 0 "[ . 1 . ]" 1
859 2 56 HIS HB3 2 57 MET H 0.000 . 3.300 2.002 1.963 2.045 . 0 0 "[ . 1 . ]" 1
860 2 56 HIS QB 2 57 MET H 0.000 . 3.110 1.991 1.953 2.032 . 0 0 "[ . 1 . ]" 1
861 2 56 HIS HD2 2 68 VAL HB 0.000 . 3.730 2.636 2.402 3.020 . 0 0 "[ . 1 . ]" 1
862 2 56 HIS HD2 2 68 VAL MG1 0.000 . 5.660 2.089 1.928 2.193 . 0 0 "[ . 1 . ]" 1
863 2 56 HIS HD2 2 68 VAL MG2 0.000 . 6.530 2.225 1.962 2.785 . 0 0 "[ . 1 . ]" 1
864 2 56 HIS HD2 2 71 CYS H 0.000 . 5.500 3.964 3.821 4.077 . 0 0 "[ . 1 . ]" 1
865 2 56 HIS HD2 2 72 ALA H 0.000 . 5.500 5.515 5.488 5.530 0.030 4 0 "[ . 1 . ]" 1
866 2 56 HIS HE1 2 60 CYS HA 0.000 . 3.980 3.450 3.016 3.933 . 0 0 "[ . 1 . ]" 1
867 2 56 HIS HE1 2 60 CYS HB2 0.000 . 4.040 2.555 2.449 2.722 . 0 0 "[ . 1 . ]" 1
868 2 56 HIS HE1 2 60 CYS HB3 0.000 . 4.040 4.087 4.068 4.097 0.057 9 0 "[ . 1 . ]" 1
869 2 56 HIS HE1 2 60 CYS QB 0.000 . 3.690 2.530 2.431 2.684 . 0 0 "[ . 1 . ]" 1
870 2 56 HIS HE1 2 68 VAL HB 0.000 . 3.980 4.063 4.031 4.084 0.104 11 0 "[ . 1 . ]" 1
871 2 56 HIS HE1 2 68 VAL MG1 0.000 . 6.530 5.025 4.676 5.194 . 0 0 "[ . 1 . ]" 1
872 2 56 HIS HE1 2 68 VAL MG2 0.000 . 4.730 3.419 3.071 3.598 . 0 0 "[ . 1 . ]" 1
873 2 56 HIS O 2 59 HIS N 0.000 . 3.300 2.557 2.490 2.643 . 0 0 "[ . 1 . ]" 1
874 2 56 HIS O 2 59 HIS H 0.000 . 2.300 1.648 1.563 1.740 . 0 0 "[ . 1 . ]" 1
875 2 57 MET H 2 57 MET HB2 0.000 . 2.960 2.173 2.146 2.208 . 0 0 "[ . 1 . ]" 1
876 2 57 MET H 2 57 MET HB3 0.000 . 2.960 2.962 2.897 2.988 0.028 10 0 "[ . 1 . ]" 1
877 2 57 MET H 2 57 MET QG 0.000 . 4.920 3.821 3.744 3.864 . 0 0 "[ . 1 . ]" 1
878 2 57 MET H 2 57 MET ME 0.000 . 6.530 4.038 3.764 4.251 . 0 0 "[ . 1 . ]" 1
879 2 57 MET H 2 58 THR H 0.000 . 3.050 2.938 2.859 3.037 . 0 0 "[ . 1 . ]" 1
880 2 57 MET HA 2 60 CYS HB2 0.000 . 2.520 2.563 2.544 2.586 0.066 6 0 "[ . 1 . ]" 1
881 2 57 MET HA 2 60 CYS HB3 0.000 . 2.520 2.058 1.956 2.277 . 0 0 "[ . 1 . ]" 1
882 2 57 MET HA 2 60 CYS QB 0.000 . 2.300 1.976 1.898 2.127 . 0 0 "[ . 1 . ]" 1
883 2 57 MET HB2 2 58 THR H 0.000 . 3.610 3.620 3.567 3.638 0.028 12 0 "[ . 1 . ]" 1
884 2 57 MET HB3 2 58 THR H 0.000 . 3.610 2.630 2.503 2.743 . 0 0 "[ . 1 . ]" 1
885 2 57 MET QB 2 58 THR H 0.000 . 3.380 2.570 2.460 2.667 . 0 0 "[ . 1 . ]" 1
886 2 57 MET QG 2 58 THR H 0.000 . 6.380 4.085 3.927 4.267 . 0 0 "[ . 1 . ]" 1
887 2 57 MET ME 2 58 THR MG 0.000 . 7.560 5.010 4.741 5.121 . 0 0 "[ . 1 . ]" 1
888 2 57 MET ME 2 74 SER HB2 0.000 . 6.120 4.394 3.803 4.879 . 0 0 "[ . 1 . ]" 1
889 2 57 MET ME 2 74 SER HB3 0.000 . 6.120 3.527 2.927 4.333 . 0 0 "[ . 1 . ]" 1
890 2 57 MET ME 2 74 SER QB 0.000 . 5.890 3.383 2.860 4.032 . 0 0 "[ . 1 . ]" 1
891 2 57 MET ME 2 78 ILE MD 0.000 . 6.220 2.369 1.772 4.009 . 0 0 "[ . 1 . ]" 1
892 2 57 MET O 2 60 CYS N 0.000 . 3.300 2.934 2.764 3.172 . 0 0 "[ . 1 . ]" 1
893 2 57 MET O 2 60 CYS H 0.000 . 2.300 1.979 1.820 2.217 . 0 0 "[ . 1 . ]" 1
894 2 58 THR H 2 58 THR HB 0.000 . 3.170 2.963 2.604 3.202 0.032 13 0 "[ . 1 . ]" 1
895 2 58 THR H 2 59 HIS H 0.000 . 2.930 2.698 2.628 2.753 . 0 0 "[ . 1 . ]" 1
896 2 58 THR HB 2 59 HIS H 0.000 . 3.670 3.279 3.155 3.400 . 0 0 "[ . 1 . ]" 1
897 2 58 THR MG 2 59 HIS H 0.000 . 6.530 4.238 3.960 4.379 . 0 0 "[ . 1 . ]" 1
898 2 58 THR MG 2 59 HIS HA 0.000 . 6.530 4.636 4.069 4.986 . 0 0 "[ . 1 . ]" 1
899 2 59 HIS H 2 59 HIS HA 0.000 . 2.830 2.930 2.925 2.934 0.104 2 0 "[ . 1 . ]" 1
900 2 59 HIS H 2 59 HIS HB2 0.000 . 3.390 2.715 2.463 2.934 . 0 0 "[ . 1 . ]" 1
901 2 59 HIS H 2 59 HIS HB3 0.000 . 3.390 3.087 2.839 3.406 0.016 13 0 "[ . 1 . ]" 1
902 2 59 HIS H 2 59 HIS QB 0.000 . 3.060 2.524 2.409 2.579 . 0 0 "[ . 1 . ]" 1
903 2 59 HIS H 2 60 CYS HB2 0.000 . 4.110 3.857 3.771 4.014 . 0 0 "[ . 1 . ]" 1
904 2 59 HIS H 2 60 CYS HB3 0.000 . 4.110 4.164 4.150 4.188 0.078 13 0 "[ . 1 . ]" 1
905 2 59 HIS HA 2 60 CYS H 0.000 . 3.050 3.056 2.980 3.085 0.035 9 0 "[ . 1 . ]" 1
906 2 59 HIS HB2 2 60 CYS H 0.000 . 4.380 4.272 4.056 4.404 0.024 11 0 "[ . 1 . ]" 1
907 2 59 HIS HB3 2 60 CYS H 0.000 . 4.380 3.970 3.881 4.100 . 0 0 "[ . 1 . ]" 1
908 2 59 HIS QB 2 60 CYS H 0.000 . 4.080 3.649 3.615 3.709 . 0 0 "[ . 1 . ]" 1
909 2 60 CYS H 2 60 CYS HB2 0.000 . 2.800 2.822 2.804 2.860 0.060 2 0 "[ . 1 . ]" 1
910 2 60 CYS H 2 60 CYS HB3 0.000 . 2.800 2.532 2.432 2.610 . 0 0 "[ . 1 . ]" 1
911 2 60 CYS HA 2 61 GLN H 0.000 . 2.860 2.322 2.147 2.673 . 0 0 "[ . 1 . ]" 1
912 2 60 CYS HA 2 62 SER H 0.000 . 3.520 3.292 3.027 3.790 0.270 4 0 "[ . 1 . ]" 1
913 2 61 GLN H 2 61 GLN QB 0.000 . 3.740 2.133 2.035 2.372 . 0 0 "[ . 1 . ]" 1
914 2 61 GLN H 2 62 SER H 0.000 . 2.960 2.458 1.964 2.723 . 0 0 "[ . 1 . ]" 1
915 2 61 GLN HB2 2 62 SER H 0.000 . 3.730 3.637 3.300 3.752 0.022 16 0 "[ . 1 . ]" 1
916 2 61 GLN HB3 2 62 SER H 0.000 . 3.730 3.685 3.443 3.741 0.011 10 0 "[ . 1 . ]" 1
917 2 61 GLN QB 2 62 SER H 0.000 . 3.560 3.258 3.080 3.333 . 0 0 "[ . 1 . ]" 1
918 2 62 SER H 2 62 SER QB 0.000 . 3.870 2.466 2.104 3.150 . 0 0 "[ . 1 . ]" 1
919 2 62 SER H 2 63 GLY H 0.000 . 2.860 2.913 2.876 2.951 0.091 16 0 "[ . 1 . ]" 1
920 2 62 SER HA 2 63 GLY H 0.000 . 3.640 3.445 2.575 3.571 . 0 0 "[ . 1 . ]" 1
921 2 63 GLY H 2 63 GLY HA2 0.000 . 2.900 2.531 2.286 2.947 0.047 4 0 "[ . 1 . ]" 1
922 2 63 GLY H 2 63 GLY HA3 0.000 . 2.900 2.803 2.446 2.935 0.035 5 0 "[ . 1 . ]" 1
923 2 63 GLY H 2 63 GLY QA 0.000 . 2.590 2.325 2.190 2.490 . 0 0 "[ . 1 . ]" 1
924 2 63 GLY H 2 64 LYS H 0.000 . 3.760 3.857 3.810 3.919 0.159 9 0 "[ . 1 . ]" 1
925 2 63 GLY H 2 66 CYS H 0.000 . 5.500 4.490 4.009 5.222 . 0 0 "[ . 1 . ]" 1
926 2 63 GLY HA2 2 64 LYS H 0.000 . 3.050 2.675 2.071 3.314 0.264 5 0 "[ . 1 . ]" 1
927 2 63 GLY HA3 2 64 LYS H 0.000 . 3.050 2.603 2.061 3.211 0.161 14 0 "[ . 1 . ]" 1
928 2 63 GLY QA 2 64 LYS H 0.000 . 2.760 2.054 2.040 2.085 . 0 0 "[ . 1 . ]" 1
929 2 63 GLY QA 2 65 SER H 0.000 . 6.380 3.508 3.301 4.878 . 0 0 "[ . 1 . ]" 1
930 2 64 LYS H 2 64 LYS QG 0.000 . 4.920 2.927 2.205 4.178 . 0 0 "[ . 1 . ]" 1
931 2 64 LYS H 2 65 SER H 0.000 . 3.210 2.440 1.880 3.291 0.081 15 0 "[ . 1 . ]" 1
932 2 64 LYS H 2 66 CYS H 0.000 . 5.500 4.071 3.253 4.374 . 0 0 "[ . 1 . ]" 1
933 2 64 LYS HA 2 65 SER H 0.000 . 3.420 3.062 2.188 3.520 0.100 1 0 "[ . 1 . ]" 1
934 2 64 LYS HA 2 72 ALA MB 0.000 . 3.860 2.271 1.827 2.944 . 0 0 "[ . 1 . ]" 1
935 2 64 LYS QB 2 65 SER H 0.000 . 4.610 3.825 2.537 4.046 . 0 0 "[ . 1 . ]" 1
936 2 64 LYS QB 2 72 ALA MB 0.000 . 4.990 3.352 2.726 3.657 . 0 0 "[ . 1 . ]" 1
937 2 64 LYS QG 2 65 SER H 0.000 . 6.000 3.556 2.291 4.436 . 0 0 "[ . 1 . ]" 1
938 2 65 SER H 2 65 SER QB 0.000 . 3.770 2.834 2.242 3.380 . 0 0 "[ . 1 . ]" 1
939 2 65 SER H 2 66 CYS H 0.000 . 2.770 2.301 1.923 2.791 0.021 16 0 "[ . 1 . ]" 1
940 2 65 SER HA 2 66 CYS H 0.000 . 3.330 2.902 2.804 3.011 . 0 0 "[ . 1 . ]" 1
941 2 66 CYS H 2 66 CYS HA 0.000 . 2.800 2.837 2.760 2.903 0.103 3 0 "[ . 1 . ]" 1
942 2 66 CYS H 2 66 CYS HB2 0.000 . 2.800 2.260 2.163 2.426 . 0 0 "[ . 1 . ]" 1
943 2 66 CYS H 2 66 CYS HB3 0.000 . 2.800 2.851 2.753 2.896 0.096 1 0 "[ . 1 . ]" 1
944 2 66 CYS H 2 67 GLN H 0.000 . 5.500 4.438 2.629 4.630 . 0 0 "[ . 1 . ]" 1
945 2 66 CYS HB2 2 67 GLN H 0.000 . 5.500 3.851 3.571 4.331 . 0 0 "[ . 1 . ]" 1
946 2 66 CYS HB2 2 68 VAL H 0.000 . 5.500 3.983 3.896 4.189 . 0 0 "[ . 1 . ]" 1
947 2 66 CYS HB2 2 72 ALA MB 0.000 . 6.530 3.391 2.540 4.179 . 0 0 "[ . 1 . ]" 1
948 2 66 CYS HB3 2 67 GLN H 0.000 . 5.500 2.977 2.312 3.869 . 0 0 "[ . 1 . ]" 1
949 2 66 CYS HB3 2 68 VAL H 0.000 . 5.500 2.298 2.169 2.852 . 0 0 "[ . 1 . ]" 1
950 2 66 CYS HB3 2 72 ALA MB 0.000 . 6.530 3.545 3.030 4.536 . 0 0 "[ . 1 . ]" 1
951 2 66 CYS QB 2 72 ALA MB 0.000 . 6.080 3.075 2.417 3.859 . 0 0 "[ . 1 . ]" 1
952 2 67 GLN H 2 67 GLN QG 0.000 . 4.300 2.910 1.980 3.858 . 0 0 "[ . 1 . ]" 1
953 2 67 GLN H 2 68 VAL H 0.000 . 5.500 2.656 2.308 2.749 . 0 0 "[ . 1 . ]" 1
954 2 67 GLN H 2 68 VAL MG2 0.000 . 6.530 3.728 3.346 4.559 . 0 0 "[ . 1 . ]" 1
955 2 67 GLN HA 2 68 VAL H 0.000 . 3.390 3.203 3.054 3.419 0.029 15 0 "[ . 1 . ]" 1
956 2 67 GLN QG 2 68 VAL H 0.000 . 6.380 4.331 2.954 4.999 . 0 0 "[ . 1 . ]" 1
957 2 68 VAL H 2 68 VAL HB 0.000 . 2.490 2.601 2.535 2.635 0.145 2 0 "[ . 1 . ]" 1
958 2 68 VAL H 2 69 ALA H 0.000 . 4.110 4.275 4.208 4.322 0.212 15 0 "[ . 1 . ]" 1
959 2 68 VAL H 2 71 CYS H 0.000 . 4.600 4.703 4.666 4.729 0.129 2 0 "[ . 1 . ]" 1
960 2 68 VAL H 2 71 CYS HB2 0.000 . 4.170 4.131 3.935 4.179 0.009 5 0 "[ . 1 . ]" 1
961 2 68 VAL H 2 71 CYS HB3 0.000 . 4.170 3.621 3.452 3.758 . 0 0 "[ . 1 . ]" 1
962 2 68 VAL H 2 71 CYS QB 0.000 . 3.980 3.402 3.242 3.501 . 0 0 "[ . 1 . ]" 1
963 2 68 VAL HA 2 70 HIS H 0.000 . 4.480 4.266 4.190 4.332 . 0 0 "[ . 1 . ]" 1
964 2 68 VAL HB 2 69 ALA H 0.000 . 3.920 4.071 4.042 4.122 0.202 2 0 "[ . 1 . ]" 1
965 2 68 VAL HB 2 71 CYS HB2 0.000 . 2.400 1.846 1.772 1.886 . 0 0 "[ . 1 . ]" 1
966 2 68 VAL HB 2 71 CYS HB3 0.000 . 2.400 2.470 2.443 2.492 0.092 11 0 "[ . 1 . ]" 1
967 2 68 VAL MG1 2 69 ALA H 0.000 . 6.530 2.207 2.089 2.501 . 0 0 "[ . 1 . ]" 1
968 2 68 VAL MG1 2 71 CYS H 0.000 . 6.530 1.922 1.908 1.947 . 0 0 "[ . 1 . ]" 1
969 2 68 VAL MG1 2 71 CYS HB2 0.000 . 6.060 1.949 1.914 2.060 . 0 0 "[ . 1 . ]" 1
970 2 68 VAL MG1 2 71 CYS HB3 0.000 . 6.060 3.180 3.142 3.226 . 0 0 "[ . 1 . ]" 1
971 2 68 VAL MG1 2 71 CYS QB 0.000 . 5.710 1.932 1.898 2.038 . 0 0 "[ . 1 . ]" 1
972 2 68 VAL MG2 2 69 ALA H 0.000 . 6.530 3.891 3.824 4.039 . 0 0 "[ . 1 . ]" 1
973 2 68 VAL MG2 2 71 CYS HB2 0.000 . 6.530 3.246 3.191 3.280 . 0 0 "[ . 1 . ]" 1
974 2 68 VAL MG2 2 71 CYS HB3 0.000 . 6.530 4.050 3.971 4.095 . 0 0 "[ . 1 . ]" 1
975 2 69 ALA H 2 70 HIS H 0.000 . 4.040 2.669 2.626 2.709 . 0 0 "[ . 1 . ]" 1
976 2 69 ALA MB 2 70 HIS HD2 0.000 . 5.130 4.015 3.974 4.094 . 0 0 "[ . 1 . ]" 1
977 2 69 ALA O 2 73 SER N 0.000 . 3.300 2.994 2.754 3.143 . 0 0 "[ . 1 . ]" 1
978 2 69 ALA O 2 73 SER H 0.000 . 2.300 2.093 1.874 2.228 . 0 0 "[ . 1 . ]" 1
979 2 70 HIS H 2 70 HIS HA 0.000 . 2.650 2.791 2.778 2.801 0.151 10 0 "[ . 1 . ]" 1
980 2 70 HIS H 2 70 HIS HB2 0.000 . 3.980 2.482 2.386 2.598 . 0 0 "[ . 1 . ]" 1
981 2 70 HIS H 2 70 HIS HB3 0.000 . 3.980 3.571 3.561 3.576 . 0 0 "[ . 1 . ]" 1
982 2 70 HIS H 2 70 HIS QB 0.000 . 3.170 2.438 2.352 2.538 . 0 0 "[ . 1 . ]" 1
983 2 70 HIS HA 2 71 CYS H 0.000 . 3.580 3.416 3.396 3.429 . 0 0 "[ . 1 . ]" 1
984 2 70 HIS HA 2 73 SER H 0.000 . 5.500 3.926 3.813 4.009 . 0 0 "[ . 1 . ]" 1
985 2 70 HIS QB 2 71 CYS H 0.000 . 4.300 3.152 3.096 3.218 . 0 0 "[ . 1 . ]" 1
986 2 70 HIS O 2 74 SER N 0.000 . 3.300 3.117 2.982 3.157 . 0 0 "[ . 1 . ]" 1
987 2 70 HIS O 2 74 SER H 0.000 . 2.300 2.276 2.137 2.309 0.009 9 0 "[ . 1 . ]" 1
988 2 71 CYS H 2 71 CYS HB2 0.000 . 2.830 2.392 2.376 2.412 . 0 0 "[ . 1 . ]" 1
989 2 71 CYS H 2 71 CYS HB3 0.000 . 2.830 2.728 2.659 2.769 . 0 0 "[ . 1 . ]" 1
990 2 71 CYS H 2 72 ALA H 0.000 . 3.080 2.790 2.759 2.833 . 0 0 "[ . 1 . ]" 1
991 2 71 CYS H 2 73 SER H 0.000 . 4.760 3.730 3.600 3.874 . 0 0 "[ . 1 . ]" 1
992 2 71 CYS HA 2 72 ALA H 0.000 . 3.480 3.527 3.524 3.531 0.051 6 0 "[ . 1 . ]" 1
993 2 71 CYS HA 2 74 SER H 0.000 . 5.500 3.924 3.718 4.150 . 0 0 "[ . 1 . ]" 1
994 2 71 CYS HB2 2 72 ALA H 0.000 . 3.110 3.286 3.265 3.322 0.212 15 0 "[ . 1 . ]" 1
995 2 71 CYS HB3 2 72 ALA H 0.000 . 3.110 1.865 1.845 1.885 . 0 0 "[ . 1 . ]" 1
996 2 71 CYS QB 2 72 ALA H 0.000 . 2.840 1.855 1.835 1.874 . 0 0 "[ . 1 . ]" 1
997 2 71 CYS O 2 75 ARG N 0.000 . 3.300 2.917 2.714 3.147 . 0 0 "[ . 1 . ]" 1
998 2 71 CYS O 2 75 ARG H 0.000 . 2.300 2.048 1.854 2.273 . 0 0 "[ . 1 . ]" 1
999 2 72 ALA H 2 73 SER H 0.000 . 3.020 2.774 2.671 2.877 . 0 0 "[ . 1 . ]" 1
1000 2 72 ALA H 2 74 SER H 0.000 . 5.500 4.494 4.314 4.605 . 0 0 "[ . 1 . ]" 1
1001 2 72 ALA HA 2 75 ARG H 0.000 . 3.520 3.537 3.522 3.558 0.038 5 0 "[ . 1 . ]" 1
1002 2 72 ALA HA 2 75 ARG HE 0.000 . 5.500 4.505 3.207 5.409 . 0 0 "[ . 1 . ]" 1
1003 2 72 ALA HA 2 76 GLN H 0.000 . 5.500 4.505 4.345 4.634 . 0 0 "[ . 1 . ]" 1
1004 2 72 ALA O 2 76 GLN N 0.000 . 3.300 3.222 3.172 3.267 . 0 0 "[ . 1 . ]" 1
1005 2 72 ALA O 2 76 GLN H 0.000 . 2.300 2.325 2.307 2.348 0.048 4 0 "[ . 1 . ]" 1
1006 2 73 SER H 2 74 SER H 0.000 . 5.500 2.821 2.755 2.886 . 0 0 "[ . 1 . ]" 1
1007 2 73 SER HA 2 76 GLN H 0.000 . 5.500 3.555 3.379 3.690 . 0 0 "[ . 1 . ]" 1
1008 2 73 SER HA 2 77 ILE H 0.000 . 5.500 4.523 4.295 4.643 . 0 0 "[ . 1 . ]" 1
1009 2 73 SER O 2 77 ILE N 0.000 . 3.300 3.075 2.852 3.206 . 0 0 "[ . 1 . ]" 1
1010 2 73 SER O 2 77 ILE H 0.000 . 2.300 2.186 1.955 2.288 . 0 0 "[ . 1 . ]" 1
1011 2 74 SER H 2 74 SER HB2 0.000 . 3.240 2.620 2.429 2.757 . 0 0 "[ . 1 . ]" 1
1012 2 74 SER H 2 74 SER HB3 0.000 . 3.240 2.463 2.331 2.660 . 0 0 "[ . 1 . ]" 1
1013 2 74 SER H 2 74 SER QB 0.000 . 2.960 2.246 2.213 2.264 . 0 0 "[ . 1 . ]" 1
1014 2 74 SER H 2 75 ARG H 0.000 . 3.170 2.717 2.636 2.782 . 0 0 "[ . 1 . ]" 1
1015 2 74 SER HA 2 77 ILE H 0.000 . 3.420 3.267 3.186 3.377 . 0 0 "[ . 1 . ]" 1
1016 2 74 SER HA 2 78 ILE H 0.000 . 4.010 3.957 3.718 4.038 0.028 8 0 "[ . 1 . ]" 1
1017 2 74 SER QB 2 75 ARG H 0.000 . 4.240 2.781 2.722 2.841 . 0 0 "[ . 1 . ]" 1
1018 2 74 SER QB 2 77 ILE MD 0.000 . 7.400 3.774 3.157 5.414 . 0 0 "[ . 1 . ]" 1
1019 2 74 SER O 2 78 ILE N 0.000 . 3.300 3.145 2.980 3.241 . 0 0 "[ . 1 . ]" 1
1020 2 74 SER O 2 78 ILE H 0.000 . 2.300 2.216 2.034 2.314 0.014 8 0 "[ . 1 . ]" 1
1021 2 75 ARG H 2 75 ARG HB2 0.000 . 2.800 2.463 2.348 2.554 . 0 0 "[ . 1 . ]" 1
1022 2 75 ARG H 2 75 ARG HB3 0.000 . 2.800 2.589 2.487 2.714 . 0 0 "[ . 1 . ]" 1
1023 2 75 ARG H 2 75 ARG QB 0.000 . 2.600 2.240 2.215 2.251 . 0 0 "[ . 1 . ]" 1
1024 2 75 ARG H 2 76 GLN H 0.000 . 3.170 2.718 2.636 2.783 . 0 0 "[ . 1 . ]" 1
1025 2 75 ARG HB2 2 75 ARG HE 0.000 . 5.500 3.911 2.571 4.353 . 0 0 "[ . 1 . ]" 1
1026 2 75 ARG HB3 2 75 ARG HE 0.000 . 5.500 3.289 2.547 4.272 . 0 0 "[ . 1 . ]" 1
1027 2 75 ARG O 2 79 SER N 0.000 . 3.300 3.041 2.752 3.184 . 0 0 "[ . 1 . ]" 1
1028 2 75 ARG O 2 79 SER H 0.000 . 2.300 2.194 1.896 2.306 0.006 3 0 "[ . 1 . ]" 1
1029 2 76 GLN H 2 77 ILE H 0.000 . 3.390 2.560 2.502 2.653 . 0 0 "[ . 1 . ]" 1
1030 2 76 GLN HA 2 79 SER H 0.000 . 5.500 3.899 3.682 4.193 . 0 0 "[ . 1 . ]" 1
1031 2 76 GLN QG 2 77 ILE H 0.000 . 4.980 4.271 3.769 4.506 . 0 0 "[ . 1 . ]" 1
1032 2 76 GLN O 2 80 HIS N 0.000 . 3.300 3.006 2.653 3.232 . 0 0 "[ . 1 . ]" 1
1033 2 76 GLN O 2 80 HIS H 0.000 . 2.300 2.080 1.714 2.304 0.004 8 0 "[ . 1 . ]" 1
1034 2 77 ILE H 2 77 ILE HB 0.000 . 2.710 2.551 2.459 2.603 . 0 0 "[ . 1 . ]" 1
1035 2 77 ILE H 2 78 ILE H 0.000 . 3.140 3.009 2.886 3.114 . 0 0 "[ . 1 . ]" 1
1036 2 77 ILE HA 2 78 ILE H 0.000 . 3.550 3.565 3.559 3.570 0.020 7 0 "[ . 1 . ]" 1
1037 2 77 ILE HB 2 78 ILE H 0.000 . 2.990 2.032 1.985 2.172 . 0 0 "[ . 1 . ]" 1
1038 2 77 ILE O 2 81 TRP N 0.000 . 3.300 3.203 2.981 3.306 0.006 5 0 "[ . 1 . ]" 1
1039 2 77 ILE O 2 81 TRP H 0.000 . 2.300 2.231 2.008 2.333 0.033 5 0 "[ . 1 . ]" 1
1040 2 78 ILE H 2 78 ILE HB 0.000 . 2.710 2.673 2.610 2.718 0.008 14 0 "[ . 1 . ]" 1
1041 2 78 ILE H 2 78 ILE QG 0.000 . 4.860 1.913 1.875 1.952 . 0 0 "[ . 1 . ]" 1
1042 2 78 ILE H 2 79 SER H 0.000 . 3.050 2.778 2.627 2.990 . 0 0 "[ . 1 . ]" 1
1043 2 78 ILE HA 2 78 ILE HB 0.000 . 3.020 3.018 3.013 3.021 0.001 13 0 "[ . 1 . ]" 1
1044 2 78 ILE HA 2 79 SER H 0.000 . 3.580 3.544 3.517 3.575 . 0 0 "[ . 1 . ]" 1
1045 2 78 ILE HA 2 81 TRP H 0.000 . 5.500 3.582 3.393 3.704 . 0 0 "[ . 1 . ]" 1
1046 2 78 ILE HB 2 79 SER H 0.000 . 2.830 2.555 2.254 2.752 . 0 0 "[ . 1 . ]" 1
1047 2 78 ILE MG 2 79 SER H 0.000 . 6.530 3.535 3.172 3.715 . 0 0 "[ . 1 . ]" 1
1048 2 78 ILE QG 2 79 SER H 0.000 . 4.390 3.854 3.773 3.874 . 0 0 "[ . 1 . ]" 1
1049 2 78 ILE O 2 82 LYS N 0.000 . 3.300 3.205 3.062 3.286 . 0 0 "[ . 1 . ]" 1
1050 2 78 ILE O 2 82 LYS H 0.000 . 2.300 2.249 2.108 2.334 0.034 2 0 "[ . 1 . ]" 1
1051 2 79 SER H 2 80 HIS H 0.000 . 3.050 2.914 2.817 3.025 . 0 0 "[ . 1 . ]" 1
1052 2 79 SER O 2 83 ASN N 0.000 . 3.300 2.982 2.805 3.144 . 0 0 "[ . 1 . ]" 1
1053 2 79 SER O 2 83 ASN H 0.000 . 2.300 2.138 1.943 2.319 0.019 4 0 "[ . 1 . ]" 1
1054 2 80 HIS H 2 80 HIS HB2 0.000 . 2.900 2.919 2.892 2.944 0.044 7 0 "[ . 1 . ]" 1
1055 2 80 HIS H 2 80 HIS HB3 0.000 . 2.900 2.171 2.138 2.195 . 0 0 "[ . 1 . ]" 1
1056 2 80 HIS H 2 80 HIS QB 0.000 . 2.610 2.115 2.089 2.132 . 0 0 "[ . 1 . ]" 1
1057 2 80 HIS QB 2 80 HIS HD2 0.000 . 3.450 2.856 2.828 2.883 . 0 0 "[ . 1 . ]" 1
1058 2 80 HIS QB 2 81 TRP H 0.000 . 4.050 2.598 2.453 2.701 . 0 0 "[ . 1 . ]" 1
1059 2 80 HIS HD2 2 81 TRP H 0.000 . 3.670 2.313 2.260 2.395 . 0 0 "[ . 1 . ]" 1
1060 2 80 HIS HD2 2 81 TRP HA 0.000 . 2.590 2.338 2.254 2.426 . 0 0 "[ . 1 . ]" 1
1061 2 80 HIS HD2 2 81 TRP HB2 0.000 . 4.070 2.935 2.868 2.990 . 0 0 "[ . 1 . ]" 1
1062 2 80 HIS HD2 2 81 TRP HB3 0.000 . 4.070 4.126 4.100 4.159 0.089 5 0 "[ . 1 . ]" 1
1063 2 80 HIS HD2 2 81 TRP QB 0.000 . 3.490 2.876 2.817 2.925 . 0 0 "[ . 1 . ]" 1
1064 2 80 HIS HD2 2 81 TRP HE3 0.000 . 5.250 3.520 3.341 3.683 . 0 0 "[ . 1 . ]" 1
1065 2 80 HIS HD2 2 84 CYS HB2 0.000 . 5.070 3.736 3.335 4.170 . 0 0 "[ . 1 . ]" 1
1066 2 80 HIS HD2 2 84 CYS HB3 0.000 . 5.070 4.474 4.021 5.052 . 0 0 "[ . 1 . ]" 1
1067 2 80 HIS HD2 2 84 CYS QB 0.000 . 4.480 3.537 3.223 3.695 . 0 0 "[ . 1 . ]" 1
1068 2 80 HIS HD2 2 91 VAL HB 0.000 . 4.260 4.287 4.240 4.314 0.054 10 0 "[ . 1 . ]" 1
1069 2 80 HIS HD2 2 91 VAL MG1 0.000 . 5.880 4.455 4.168 4.720 . 0 0 "[ . 1 . ]" 1
1070 2 80 HIS HD2 2 91 VAL MG2 0.000 . 6.530 4.714 4.507 4.824 . 0 0 "[ . 1 . ]" 1
1071 2 80 HIS HE1 2 84 CYS HB2 0.000 . 5.500 3.897 3.487 4.212 . 0 0 "[ . 1 . ]" 1
1072 2 80 HIS HE1 2 84 CYS HB3 0.000 . 5.500 5.030 4.502 5.416 . 0 0 "[ . 1 . ]" 1
1073 2 80 HIS HE1 2 84 CYS QB 0.000 . 4.640 3.770 3.376 4.043 . 0 0 "[ . 1 . ]" 1
1074 2 80 HIS HE1 2 91 VAL HB 0.000 . 5.500 4.438 4.171 4.831 . 0 0 "[ . 1 . ]" 1
1075 2 80 HIS O 2 84 CYS N 0.000 . 3.300 2.523 2.466 2.577 . 0 0 "[ . 1 . ]" 1
1076 2 80 HIS O 2 84 CYS H 0.000 . 2.300 2.080 1.714 2.338 0.038 3 0 "[ . 1 . ]" 1
1077 2 81 TRP H 2 81 TRP QB 0.000 . 3.480 2.227 2.209 2.238 . 0 0 "[ . 1 . ]" 1
1078 2 81 TRP H 2 81 TRP HD1 0.000 . 5.500 5.079 5.033 5.135 . 0 0 "[ . 1 . ]" 1
1079 2 81 TRP H 2 82 LYS H 0.000 . 5.500 3.173 3.018 3.268 . 0 0 "[ . 1 . ]" 1
1080 2 81 TRP HA 2 81 TRP HE3 0.000 . 3.270 3.299 3.262 3.348 0.078 2 0 "[ . 1 . ]" 1
1081 2 81 TRP HB2 2 82 LYS H 0.000 . 3.450 3.535 3.504 3.564 0.114 5 0 "[ . 1 . ]" 1
1082 2 81 TRP HB3 2 82 LYS H 0.000 . 3.450 2.025 1.982 2.106 . 0 0 "[ . 1 . ]" 1
1083 2 81 TRP QB 2 82 LYS H 0.000 . 3.080 2.014 1.972 2.091 . 0 0 "[ . 1 . ]" 1
1084 2 81 TRP HZ3 2 92 CYS HA 0.000 . 3.050 2.206 2.042 2.550 . 0 0 "[ . 1 . ]" 1
1085 2 81 TRP HZ3 2 92 CYS HB2 0.000 . 4.940 4.858 4.359 4.948 0.008 12 0 "[ . 1 . ]" 1
1086 2 81 TRP HZ3 2 92 CYS HB3 0.000 . 4.940 3.805 3.428 3.880 . 0 0 "[ . 1 . ]" 1
1087 2 81 TRP HZ3 2 92 CYS QB 0.000 . 4.320 3.676 3.309 3.744 . 0 0 "[ . 1 . ]" 1
1088 2 81 TRP HZ3 2 95 LEU HA 0.000 . 5.500 5.335 5.052 5.514 0.014 16 0 "[ . 1 . ]" 1
1089 2 81 TRP HZ3 2 95 LEU HB2 0.000 . 3.110 2.775 2.571 3.042 . 0 0 "[ . 1 . ]" 1
1090 2 81 TRP HZ3 2 95 LEU HB3 0.000 . 3.110 2.931 2.601 3.128 0.018 17 0 "[ . 1 . ]" 1
1091 2 81 TRP HZ3 2 95 LEU MD1 0.000 . 6.470 1.957 1.821 2.268 . 0 0 "[ . 1 . ]" 1
1092 2 81 TRP HZ3 2 95 LEU MD2 0.000 . 6.530 3.996 3.341 4.528 . 0 0 "[ . 1 . ]" 1
1093 2 81 TRP HH2 2 92 CYS HA 0.000 . 3.080 2.977 2.849 3.088 0.008 2 0 "[ . 1 . ]" 1
1094 2 81 TRP HH2 2 92 CYS HB2 0.000 . 5.340 5.201 4.233 5.369 0.029 5 0 "[ . 1 . ]" 1
1095 2 81 TRP HH2 2 92 CYS HB3 0.000 . 5.340 3.783 3.486 4.238 . 0 0 "[ . 1 . ]" 1
1096 2 81 TRP HH2 2 92 CYS QB 0.000 . 4.620 3.683 3.425 3.815 . 0 0 "[ . 1 . ]" 1
1097 2 81 TRP HH2 2 95 LEU H 0.000 . 5.500 4.710 4.591 4.864 . 0 0 "[ . 1 . ]" 1
1098 2 81 TRP HH2 2 95 LEU HA 0.000 . 5.500 4.830 4.690 5.005 . 0 0 "[ . 1 . ]" 1
1099 2 81 TRP HH2 2 95 LEU HB2 0.000 . 3.170 3.183 3.170 3.194 0.024 14 0 "[ . 1 . ]" 1
1100 2 81 TRP HH2 2 95 LEU HB3 0.000 . 3.170 2.066 1.941 2.217 . 0 0 "[ . 1 . ]" 1
1101 2 81 TRP HH2 2 95 LEU QB 0.000 . 2.970 2.040 1.925 2.178 . 0 0 "[ . 1 . ]" 1
1102 2 81 TRP HH2 2 95 LEU MD1 0.000 . 6.120 2.899 2.503 3.387 . 0 0 "[ . 1 . ]" 1
1103 2 81 TRP HH2 2 95 LEU MD2 0.000 . 6.530 3.573 2.967 3.970 . 0 0 "[ . 1 . ]" 1
1104 2 81 TRP HH2 2 96 LYS H 0.000 . 5.500 3.845 3.402 4.100 . 0 0 "[ . 1 . ]" 1
1105 2 82 LYS H 2 82 LYS QB 0.000 . 3.680 2.151 2.043 2.250 . 0 0 "[ . 1 . ]" 1
1106 2 82 LYS H 2 82 LYS QD 0.000 . 5.540 4.206 3.542 4.639 . 0 0 "[ . 1 . ]" 1
1107 2 82 LYS H 2 83 ASN H 0.000 . 3.050 2.764 2.653 2.853 . 0 0 "[ . 1 . ]" 1
1108 2 82 LYS QB 2 83 ASN H 0.000 . 4.050 2.732 2.307 3.168 . 0 0 "[ . 1 . ]" 1
1109 2 83 ASN H 2 83 ASN HB2 0.000 . 3.110 2.349 2.089 2.668 . 0 0 "[ . 1 . ]" 1
1110 2 83 ASN H 2 83 ASN HB3 0.000 . 3.110 2.966 2.726 3.125 0.015 7 0 "[ . 1 . ]" 1
1111 2 83 ASN H 2 83 ASN QB 0.000 . 2.840 2.253 2.059 2.431 . 0 0 "[ . 1 . ]" 1
1112 2 83 ASN H 2 84 CYS H 0.000 . 2.830 2.532 2.224 2.671 . 0 0 "[ . 1 . ]" 1
1113 2 83 ASN HA 2 83 ASN HD22 0.000 . 5.500 4.127 3.599 4.412 . 0 0 "[ . 1 . ]" 1
1114 2 83 ASN HA 2 84 CYS H 0.000 . 3.450 3.281 3.050 3.472 0.022 12 0 "[ . 1 . ]" 1
1115 2 84 CYS H 2 84 CYS HB2 0.000 . 2.710 2.606 2.441 2.733 0.023 17 0 "[ . 1 . ]" 1
1116 2 84 CYS H 2 84 CYS HB3 0.000 . 2.710 2.609 2.452 2.735 0.025 2 0 "[ . 1 . ]" 1
1117 2 84 CYS HA 2 85 THR H 0.000 . 2.550 2.180 2.135 2.281 . 0 0 "[ . 1 . ]" 1
1118 2 85 THR HA 2 86 ARG H 0.000 . 2.710 2.314 2.149 2.678 . 0 0 "[ . 1 . ]" 1
1119 2 86 ARG H 2 86 ARG HA 0.000 . 2.490 2.437 2.274 2.685 0.195 13 0 "[ . 1 . ]" 1
1120 2 86 ARG H 2 86 ARG QD 0.000 . 6.100 3.762 1.998 5.087 . 0 0 "[ . 1 . ]" 1
1121 2 87 HIS HA 2 88 ASP H 0.000 . 3.210 2.556 2.140 3.019 . 0 0 "[ . 1 . ]" 1
1122 2 87 HIS QB 2 88 ASP H 0.000 . 5.110 3.362 1.977 4.004 . 0 0 "[ . 1 . ]" 1
1123 2 88 ASP H 2 89 CYS H 0.000 . 3.050 2.665 2.000 3.081 0.031 12 0 "[ . 1 . ]" 1
1124 2 88 ASP HA 2 89 CYS H 0.000 . 3.210 2.686 2.367 2.907 . 0 0 "[ . 1 . ]" 1
1125 2 89 CYS H 2 89 CYS QB 0.000 . 3.680 2.499 2.089 2.830 . 0 0 "[ . 1 . ]" 1
1126 2 90 PRO HB2 2 91 VAL H 0.000 . 4.290 3.470 2.899 3.745 . 0 0 "[ . 1 . ]" 1
1127 2 90 PRO HB3 2 91 VAL H 0.000 . 4.290 4.261 4.054 4.351 0.061 2 0 "[ . 1 . ]" 1
1128 2 90 PRO QB 2 91 VAL H 0.000 . 3.920 3.316 2.846 3.525 . 0 0 "[ . 1 . ]" 1
1129 2 90 PRO HG2 2 91 VAL H 0.000 . 5.500 3.154 2.217 4.424 . 0 0 "[ . 1 . ]" 1
1130 2 90 PRO HG3 2 91 VAL H 0.000 . 5.500 4.231 3.672 4.751 . 0 0 "[ . 1 . ]" 1
1131 2 90 PRO QG 2 91 VAL H 0.000 . 4.760 3.029 2.200 4.066 . 0 0 "[ . 1 . ]" 1
1132 2 90 PRO QD 2 91 VAL H 0.000 . 5.170 2.494 2.127 3.029 . 0 0 "[ . 1 . ]" 1
1133 2 91 VAL H 2 91 VAL HB 0.000 . 2.590 2.604 2.586 2.614 0.024 7 0 "[ . 1 . ]" 1
1134 2 91 VAL H 2 92 CYS H 0.000 . 2.590 2.416 2.254 2.631 0.041 2 0 "[ . 1 . ]" 1
1135 2 91 VAL H 2 93 LEU H 0.000 . 4.380 3.551 3.387 3.862 . 0 0 "[ . 1 . ]" 1
1136 2 91 VAL HB 2 92 CYS H 0.000 . 2.680 2.317 2.056 2.507 . 0 0 "[ . 1 . ]" 1
1137 2 91 VAL QG 2 92 CYS H 0.000 . 7.620 3.110 2.976 3.206 . 0 0 "[ . 1 . ]" 1
1138 2 91 VAL O 2 95 LEU N 0.000 . 3.300 3.179 3.096 3.270 . 0 0 "[ . 1 . ]" 1
1139 2 91 VAL O 2 95 LEU H 0.000 . 2.300 2.323 2.310 2.355 0.055 12 0 "[ . 1 . ]" 1
1140 2 92 CYS H 2 92 CYS QB 0.000 . 3.480 2.658 2.627 2.682 . 0 0 "[ . 1 . ]" 1
1141 2 92 CYS H 2 93 LEU H 0.000 . 2.930 2.659 2.567 2.833 . 0 0 "[ . 1 . ]" 1
1142 2 92 CYS HA 2 95 LEU H 0.000 . 5.500 3.522 3.383 3.646 . 0 0 "[ . 1 . ]" 1
1143 2 92 CYS QB 2 93 LEU H 0.000 . 4.050 2.851 2.525 3.655 . 0 0 "[ . 1 . ]" 1
1144 2 92 CYS O 2 96 LYS N 0.000 . 3.300 2.665 2.570 2.884 . 0 0 "[ . 1 . ]" 1
1145 2 92 CYS O 2 96 LYS H 0.000 . 2.300 1.793 1.702 2.020 . 0 0 "[ . 1 . ]" 1
1146 2 93 LEU H 2 93 LEU HG 0.000 . 5.500 3.588 2.845 4.434 . 0 0 "[ . 1 . ]" 1
1147 2 93 LEU H 2 94 PRO HD2 0.000 . 4.040 2.278 2.013 2.633 . 0 0 "[ . 1 . ]" 1
1148 2 93 LEU H 2 94 PRO HD3 0.000 . 4.040 3.219 2.649 3.415 . 0 0 "[ . 1 . ]" 1
1149 2 93 LEU H 2 94 PRO QD 0.000 . 3.840 2.215 1.994 2.456 . 0 0 "[ . 1 . ]" 1
1150 2 93 LEU O 2 97 ASN N 0.000 . 3.300 2.519 2.467 2.576 . 0 0 "[ . 1 . ]" 1
1151 2 93 LEU O 2 97 ASN H 0.000 . 2.300 2.326 2.306 2.345 0.045 15 0 "[ . 1 . ]" 1
1152 2 94 PRO HD2 2 95 LEU H 0.000 . 5.310 2.826 2.507 2.962 . 0 0 "[ . 1 . ]" 1
1153 2 94 PRO HD3 2 95 LEU H 0.000 . 5.310 3.969 3.869 4.104 . 0 0 "[ . 1 . ]" 1
1154 2 94 PRO QD 2 95 LEU H 0.000 . 4.750 2.769 2.478 2.898 . 0 0 "[ . 1 . ]" 1
1155 2 95 LEU H 2 95 LEU HA 0.000 . 2.830 2.865 2.848 2.875 0.045 17 0 "[ . 1 . ]" 1
1156 2 95 LEU H 2 95 LEU HB2 0.000 . 3.170 2.067 2.046 2.079 . 0 0 "[ . 1 . ]" 1
1157 2 95 LEU H 2 95 LEU HB3 0.000 . 3.170 3.257 3.231 3.303 0.133 12 0 "[ . 1 . ]" 1
1158 2 95 LEU H 2 95 LEU QB 0.000 . 2.920 2.046 2.028 2.056 . 0 0 "[ . 1 . ]" 1
1159 2 95 LEU H 2 95 LEU HG 0.000 . 3.640 3.605 3.413 3.659 0.019 3 0 "[ . 1 . ]" 1
1160 2 95 LEU H 2 96 LYS H 0.000 . 2.770 2.456 2.403 2.518 . 0 0 "[ . 1 . ]" 1
1161 2 95 LEU QB 2 96 LYS HA 0.000 . 4.890 4.294 4.184 4.360 . 0 0 "[ . 1 . ]" 1
1162 2 95 LEU MD1 2 96 LYS H 0.000 . 6.530 4.733 4.707 4.782 . 0 0 "[ . 1 . ]" 1
1163 2 95 LEU MD2 2 96 LYS H 0.000 . 6.530 4.389 4.295 4.485 . 0 0 "[ . 1 . ]" 1
1164 2 96 LYS H 2 96 LYS QG 0.000 . 4.490 3.577 2.367 4.105 . 0 0 "[ . 1 . ]" 1
1165 2 96 LYS H 2 97 ASN H 0.000 . 5.500 2.886 2.684 3.132 . 0 0 "[ . 1 . ]" 1
1166 2 96 LYS HA 2 97 ASN H 0.000 . 2.650 2.554 2.397 2.684 0.034 5 0 "[ . 1 . ]" 1
1167 2 96 LYS QB 2 97 ASN H 0.000 . 6.380 3.938 3.885 4.032 . 0 0 "[ . 1 . ]" 1
1168 2 96 LYS HG2 2 97 ASN H 0.000 . 5.500 4.875 4.351 5.433 . 0 0 "[ . 1 . ]" 1
1169 2 96 LYS HG3 2 97 ASN H 0.000 . 5.500 5.024 4.110 5.498 . 0 0 "[ . 1 . ]" 1
1170 2 97 ASN H 2 97 ASN HA 0.000 . 2.550 2.693 2.681 2.710 0.160 13 0 "[ . 1 . ]" 1
1171 2 97 ASN H 2 97 ASN QB 0.000 . 3.550 2.443 2.113 3.067 . 0 0 "[ . 1 . ]" 1
1172 2 97 ASN HA 2 98 ALA H 0.000 . 2.520 2.230 2.141 2.535 0.015 13 0 "[ . 1 . ]" 1
1173 2 97 ASN HB2 2 98 ALA H 0.000 . 5.500 4.061 2.818 4.662 . 0 0 "[ . 1 . ]" 1
1174 2 97 ASN HB3 2 98 ALA H 0.000 . 5.500 3.882 2.316 4.480 . 0 0 "[ . 1 . ]" 1
1175 2 98 ALA HA 2 99 GLY H 0.000 . 3.050 2.374 2.157 2.826 . 0 0 "[ . 1 . ]" 1
1176 2 100 ASP HA 2 101 LYS H 0.000 . 3.330 2.540 2.141 3.342 0.012 8 0 "[ . 1 . ]" 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 18
_Distance_constraint_stats_list.Viol_count 273
_Distance_constraint_stats_list.Viol_total 2310.629
_Distance_constraint_stats_list.Viol_max 2.108
_Distance_constraint_stats_list.Viol_rms 0.3958
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4442
_Distance_constraint_stats_list.Viol_average_violations_only 0.4979
_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
2 25 HIS 24.048 0.805 14 15 "[***** -*****+***]"
2 29 CYS 23.760 0.805 14 16 "[* ****-******+***]"
2 42 CYS 13.032 0.785 8 6 "[ - .**+** . ]"
2 47 CYS 19.264 0.779 14 11 "[ ****-*** * +. *]"
2 56 HIS 14.075 0.746 2 6 "[ +- . * * ** . ]"
2 60 CYS 26.663 1.262 14 14 "[****** **-* +***]"
2 66 CYS 26.582 1.262 14 17 [*************+*-*]
2 71 CYS 26.131 0.774 12 16 [*********-*+**.**]
2 80 HIS 10.966 0.524 17 2 "[ - . 1 . +]"
2 84 CYS 32.273 2.108 7 17 [******+*********-]
2 89 CYS 40.506 2.108 7 17 [******+-*********]
2 92 CYS 14.539 2.081 2 10 "[ + ** **1* *** *]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 2 25 HIS NE2 2 29 CYS SG 3.680 3.510 3.860 2.878 2.705 3.360 0.805 14 14 "[* *** *-****+***]" 2
2 2 25 HIS NE2 2 42 CYS SG 3.680 3.510 3.860 4.158 3.880 4.375 0.515 2 1 "[ + . 1 . ]" 2
3 2 25 HIS NE2 2 47 CYS SG 3.680 3.510 3.860 3.061 2.731 3.982 0.779 14 6 "[ * * -** +. ]" 2
4 2 29 CYS SG 2 42 CYS SG 3.680 3.510 3.860 3.267 2.725 3.966 0.785 8 5 "[ .**+*- . ]" 2
5 2 29 CYS SG 2 47 CYS SG 3.680 3.510 3.860 3.427 2.883 4.609 0.749 5 11 "[ **+*-*** * *. *]" 2
6 2 42 CYS SG 2 47 CYS SG 3.680 3.510 3.860 3.970 3.421 4.377 0.517 7 1 "[ . + 1 . ]" 2
7 2 56 HIS NE2 2 60 CYS SG 3.680 3.510 3.860 4.166 3.938 4.316 0.456 16 0 "[ . 1 . ]" 2
8 2 56 HIS NE2 2 66 CYS SG 3.680 3.510 3.860 3.843 3.651 4.117 0.257 2 0 "[ . 1 . ]" 2
9 2 56 HIS NE2 2 71 CYS SG 3.680 3.510 3.860 3.022 2.764 3.179 0.746 2 6 "[ +- . * * ** . ]" 2
10 2 60 CYS SG 2 66 CYS SG 3.680 3.510 3.860 2.638 2.248 3.047 1.262 14 14 "[****** **** +*-*]" 2
11 2 60 CYS SG 2 71 CYS SG 3.680 3.510 3.860 3.119 2.745 3.306 0.765 2 2 "[ + . - . ]" 2
12 2 66 CYS SG 2 71 CYS SG 3.680 3.510 3.860 4.518 4.358 4.634 0.774 12 16 [***-*******+**.**] 2
13 2 80 HIS NE2 2 84 CYS SG 3.680 3.510 3.860 3.842 3.253 4.294 0.434 16 0 "[ . 1 . ]" 2
14 2 80 HIS NE2 2 89 CYS SG 3.680 3.510 3.860 4.102 3.199 4.384 0.524 17 1 "[ . 1 . +]" 2
15 2 80 HIS NE2 2 92 CYS SG 3.680 3.510 3.860 3.662 3.240 4.368 0.508 2 1 "[ + . 1 . ]" 2
16 2 84 CYS SG 2 89 CYS SG 3.680 3.510 3.860 1.988 1.402 2.591 2.108 7 17 [******+*********-] 2
17 2 84 CYS SG 2 92 CYS SG 3.680 3.510 3.860 4.017 3.486 4.310 0.450 6 0 "[ . 1 . ]" 2
18 2 89 CYS SG 2 92 CYS SG 3.680 3.510 3.860 3.167 1.429 4.430 2.081 2 10 "[ + ** -*1* *** *]" 2
stop_
save_
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