NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
385925 |
1l8c   |
5327 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1l8c
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 1523
_Distance_constraint_stats_list.Viol_count 2477
_Distance_constraint_stats_list.Viol_total 2060.810
_Distance_constraint_stats_list.Viol_max 0.882
_Distance_constraint_stats_list.Viol_rms 0.0209
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.0416
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.425 0.048 2 0 "[ . 1 . 2]"
1 2 ASP 0.173 0.111 2 0 "[ . 1 . 2]"
1 3 PRO 0.152 0.062 2 0 "[ . 1 . 2]"
1 4 GLU 1.208 0.101 20 0 "[ . 1 . 2]"
1 5 LYS 1.502 0.111 2 0 "[ . 1 . 2]"
1 6 ARG 1.022 0.096 18 0 "[ . 1 . 2]"
1 7 LYS 2.381 0.101 20 0 "[ . 1 . 2]"
1 8 LEU 0.778 0.105 6 0 "[ . 1 . 2]"
1 9 ILE 0.049 0.028 2 0 "[ . 1 . 2]"
1 10 GLN 1.306 0.116 10 0 "[ . 1 . 2]"
1 11 GLN 0.261 0.059 11 0 "[ . 1 . 2]"
1 12 GLN 0.473 0.051 16 0 "[ . 1 . 2]"
1 13 LEU 3.787 0.121 12 0 "[ . 1 . 2]"
1 14 VAL 2.007 0.108 18 0 "[ . 1 . 2]"
1 15 LEU 2.609 0.108 18 0 "[ . 1 . 2]"
1 16 LEU 2.918 0.122 15 0 "[ . 1 . 2]"
1 17 LEU 3.469 0.125 13 0 "[ . 1 . 2]"
1 18 HIS 0.411 0.119 10 0 "[ . 1 . 2]"
1 19 ALA 0.450 0.089 20 0 "[ . 1 . 2]"
1 20 HIS 0.930 0.079 12 0 "[ . 1 . 2]"
1 21 LYS 2.029 0.125 13 0 "[ . 1 . 2]"
1 22 CYS 0.056 0.056 19 0 "[ . 1 . 2]"
1 23 GLN 0.078 0.022 13 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 1.049 0.071 6 0 "[ . 1 . 2]"
1 26 GLU 1.014 0.059 10 0 "[ . 1 . 2]"
1 27 GLN 0.111 0.043 10 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASN 0.021 0.021 14 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.064 0.046 12 0 "[ . 1 . 2]"
1 33 ARG 1.566 0.552 13 2 "[ . 1- + . 2]"
1 34 ALA 0.684 0.061 7 0 "[ . 1 . 2]"
1 35 CYS 1.080 0.179 16 0 "[ . 1 . 2]"
1 36 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 0.912 0.078 10 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 CYS 0.347 0.072 19 0 "[ . 1 . 2]"
1 41 ARG 0.314 0.114 20 0 "[ . 1 . 2]"
1 42 THR 0.686 0.085 10 0 "[ . 1 . 2]"
1 43 MET 3.285 0.106 3 0 "[ . 1 . 2]"
1 44 LYS 1.349 0.109 19 0 "[ . 1 . 2]"
1 45 ASN 0.475 0.114 20 0 "[ . 1 . 2]"
1 46 VAL 1.051 0.055 7 0 "[ . 1 . 2]"
1 47 LEU 4.696 0.128 16 0 "[ . 1 . 2]"
1 48 ASN 2.517 0.109 4 0 "[ . 1 . 2]"
1 49 HIS 3.113 0.104 10 0 "[ . 1 . 2]"
1 50 MET 4.444 0.128 16 0 "[ . 1 . 2]"
1 51 THR 1.599 0.056 1 0 "[ . 1 . 2]"
1 52 HIS 0.511 0.045 6 0 "[ . 1 . 2]"
1 53 CYS 1.653 0.104 10 0 "[ . 1 . 2]"
1 54 GLN 2.811 0.304 3 0 "[ . 1 . 2]"
1 55 ALA 2.873 0.304 3 0 "[ . 1 . 2]"
1 56 GLY 0.499 0.065 8 0 "[ . 1 . 2]"
1 57 LYS 1.587 0.128 12 0 "[ . 1 . 2]"
1 58 ALA 1.485 0.333 9 0 "[ . 1 . 2]"
1 59 CYS 2.298 0.333 9 0 "[ . 1 . 2]"
1 60 GLN 0.569 0.072 2 0 "[ . 1 . 2]"
1 61 VAL 0.301 0.031 10 0 "[ . 1 . 2]"
1 62 ALA 1.024 0.055 7 0 "[ . 1 . 2]"
1 63 HIS 1.096 0.085 10 0 "[ . 1 . 2]"
1 64 CYS 0.053 0.053 18 0 "[ . 1 . 2]"
1 65 ALA 0.595 0.067 13 0 "[ . 1 . 2]"
1 66 SER 0.190 0.054 9 0 "[ . 1 . 2]"
1 67 SER 1.997 0.145 19 0 "[ . 1 . 2]"
1 68 ARG 1.006 0.080 12 0 "[ . 1 . 2]"
1 69 GLN 1.021 0.098 12 0 "[ . 1 . 2]"
1 70 ILE 4.928 0.145 19 0 "[ . 1 . 2]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 SER 0.007 0.007 6 0 "[ . 1 . 2]"
1 73 HIS 0.355 0.052 5 0 "[ . 1 . 2]"
1 74 TRP 3.715 0.150 11 0 "[ . 1 . 2]"
1 75 LYS 0.221 0.034 4 0 "[ . 1 . 2]"
1 76 ASN 2.863 0.102 20 0 "[ . 1 . 2]"
1 77 CYS 1.765 0.090 16 0 "[ . 1 . 2]"
1 78 THR 0.091 0.030 10 0 "[ . 1 . 2]"
1 79 ARG 0.645 0.061 7 0 "[ . 1 . 2]"
1 80 HIS 0.011 0.011 5 0 "[ . 1 . 2]"
1 81 ASP 0.395 0.057 17 0 "[ . 1 . 2]"
1 82 CYS 1.942 0.106 7 0 "[ . 1 . 2]"
1 83 PRO 1.574 0.076 20 0 "[ . 1 . 2]"
1 84 VAL 2.440 0.116 10 0 "[ . 1 . 2]"
1 85 CYS 0.994 0.106 7 0 "[ . 1 . 2]"
1 86 LEU 2.131 0.094 8 0 "[ . 1 . 2]"
1 87 PRO 0.991 0.074 4 0 "[ . 1 . 2]"
1 88 LEU 2.829 0.150 11 0 "[ . 1 . 2]"
1 89 LYS 2.208 0.170 8 0 "[ . 1 . 2]"
1 90 ASN 2.203 0.170 8 0 "[ . 1 . 2]"
1 91 ALA 0.175 0.049 3 0 "[ . 1 . 2]"
1 92 SER 0.544 0.098 11 0 "[ . 1 . 2]"
1 93 ASP 0.023 0.023 9 0 "[ . 1 . 2]"
1 94 LYS 0.212 0.066 2 0 "[ . 1 . 2]"
1 95 ARG 0.046 0.028 13 0 "[ . 1 . 2]"
2 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LEU 2.055 0.165 14 0 "[ . 1 . 2]"
2 4 ALA 2.041 0.294 15 0 "[ . 1 . 2]"
2 5 CYS 0.817 0.294 15 0 "[ . 1 . 2]"
2 6 ARG 1.341 0.123 11 0 "[ . 1 . 2]"
2 7 LEU 1.135 0.267 16 0 "[ . 1 . 2]"
2 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 GLY 0.232 0.112 20 0 "[ . 1 . 2]"
2 10 GLN 4.806 0.599 20 1 "[ . 1 . +]"
2 11 SER 3.532 0.599 20 1 "[ . 1 . +]"
2 12 MET 1.879 0.112 20 0 "[ . 1 . 2]"
2 13 ASP 1.719 0.112 19 0 "[ . 1 . 2]"
2 14 GLU 1.412 0.072 20 0 "[ . 1 . 2]"
2 15 SER 0.853 0.061 3 0 "[ . 1 . 2]"
2 16 GLY 1.068 0.150 19 0 "[ . 1 . 2]"
2 17 LEU 0.907 0.150 19 0 "[ . 1 . 2]"
2 18 PRO 0.882 0.074 17 0 "[ . 1 . 2]"
2 19 GLN 1.174 0.066 7 0 "[ . 1 . 2]"
2 20 LEU 2.863 0.074 17 0 "[ . 1 . 2]"
2 21 THR 0.990 0.092 2 0 "[ . 1 . 2]"
2 22 SER 0.254 0.092 2 0 "[ . 1 . 2]"
2 23 TYR 1.058 0.049 5 0 "[ . 1 . 2]"
2 24 ASP 0.033 0.029 8 0 "[ . 1 . 2]"
2 25 CYS 1.581 0.070 2 0 "[ . 1 . 2]"
2 26 GLU 0.059 0.025 18 0 "[ . 1 . 2]"
2 27 VAL 2.973 0.079 10 0 "[ . 1 . 2]"
2 28 ASN 1.179 0.079 10 0 "[ . 1 . 2]"
2 29 ALA 0.098 0.028 2 0 "[ . 1 . 2]"
2 30 PRO 0.767 0.076 18 0 "[ . 1 . 2]"
2 31 ILE 3.054 0.149 11 0 "[ . 1 . 2]"
2 32 GLN 7.868 0.882 4 9 "[ *+** 1 * *- **2]"
2 33 GLY 7.720 0.882 4 9 "[ *+** 1 * *- **2]"
2 34 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 ARG 0.856 0.106 11 0 "[ . 1 . 2]"
2 36 ASN 2.963 0.111 17 0 "[ . 1 . 2]"
2 37 LEU 2.628 0.149 11 0 "[ . 1 . 2]"
2 38 LEU 4.042 0.111 17 0 "[ . 1 . 2]"
2 39 GLN 0.538 0.056 8 0 "[ . 1 . 2]"
2 40 GLY 2.288 0.101 8 0 "[ . 1 . 2]"
2 41 GLU 0.569 0.056 1 0 "[ . 1 . 2]"
2 42 GLU 1.376 0.087 5 0 "[ . 1 . 2]"
2 43 LEU 2.763 0.103 20 0 "[ . 1 . 2]"
2 44 LEU 3.407 0.096 3 0 "[ . 1 . 2]"
2 45 ARG 0.559 0.058 12 0 "[ . 1 . 2]"
2 46 ALA 0.976 0.096 7 0 "[ . 1 . 2]"
2 47 LEU 3.294 0.107 19 0 "[ . 1 . 2]"
2 48 ASP 0.527 0.077 12 0 "[ . 1 . 2]"
2 49 GLN 0.620 0.087 17 0 "[ . 1 . 2]"
2 50 VAL 3.379 0.099 4 0 "[ . 1 . 2]"
2 51 ASN 2.086 0.120 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 2 27 VAL MG1 . . 2.700 2.555 2.317 2.748 0.048 2 0 "[ . 1 . 2]" 1
2 1 1 ALA MB 2 27 VAL MG1 . . 2.700 2.716 2.689 2.731 0.031 7 0 "[ . 1 . 2]" 1
3 1 1 ALA HA 2 28 ASN HA . . 4.500 3.547 3.373 4.283 . 0 0 "[ . 1 . 2]" 1
4 1 1 ALA MB 2 28 ASN HA . . 2.700 2.241 2.130 2.697 . 0 0 "[ . 1 . 2]" 1
5 1 2 ASP HA 1 3 PRO QG . . 4.500 4.004 3.937 4.114 . 0 0 "[ . 1 . 2]" 1
6 1 2 ASP HA 1 3 PRO QD . . 2.700 2.080 2.012 2.181 . 0 0 "[ . 1 . 2]" 1
7 1 2 ASP HB2 1 3 PRO QD . . 4.500 3.824 3.413 4.064 . 0 0 "[ . 1 . 2]" 1
8 1 2 ASP HB3 1 3 PRO QD . . 4.500 4.067 3.904 4.359 . 0 0 "[ . 1 . 2]" 1
9 1 2 ASP QB 1 3 PRO QD . . 4.500 3.500 3.274 3.736 . 0 0 "[ . 1 . 2]" 1
10 1 2 ASP HB2 1 5 LYS HB2 . . 4.500 4.097 3.068 4.375 . 0 0 "[ . 1 . 2]" 1
11 1 2 ASP HB2 1 5 LYS H . . 4.500 4.441 4.330 4.535 0.035 2 0 "[ . 1 . 2]" 1
12 1 2 ASP HB3 1 5 LYS HB2 . . 4.500 2.572 2.301 3.652 . 0 0 "[ . 1 . 2]" 1
13 1 2 ASP HB3 1 5 LYS H . . 5.500 3.016 2.626 5.611 0.111 2 0 "[ . 1 . 2]" 1
14 1 3 PRO HA 1 4 GLU H . . 4.500 3.606 3.451 3.634 . 0 0 "[ . 1 . 2]" 1
15 1 3 PRO QB 1 4 GLU H . . 4.500 2.914 2.027 3.464 . 0 0 "[ . 1 . 2]" 1
16 1 3 PRO QG 1 4 GLU QG . . 5.500 4.324 2.731 5.562 0.062 20 0 "[ . 1 . 2]" 1
17 1 3 PRO QG 1 4 GLU H . . 4.500 3.053 1.990 4.042 . 0 0 "[ . 1 . 2]" 1
18 1 3 PRO QD 1 4 GLU H . . 5.500 3.021 2.812 3.457 . 0 0 "[ . 1 . 2]" 1
19 1 3 PRO HA 1 6 ARG QB . . 4.500 2.765 2.265 4.562 0.062 2 0 "[ . 1 . 2]" 1
20 1 3 PRO HA 1 6 ARG QG . . 5.500 4.037 2.638 5.098 . 0 0 "[ . 1 . 2]" 1
21 1 3 PRO HA 1 6 ARG H . . 4.500 3.503 3.294 4.492 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLU HA 1 4 GLU QB . . 2.700 2.355 2.243 2.562 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLU HA 1 5 LYS H . . 4.500 3.563 3.459 3.628 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLU QG 1 5 LYS H . . 5.500 4.154 3.509 4.843 . 0 0 "[ . 1 . 2]" 1
25 1 4 GLU H 1 5 LYS H . . 3.500 2.703 2.570 2.842 . 0 0 "[ . 1 . 2]" 1
26 1 4 GLU QB 1 5 LYS H . . 4.500 2.714 2.413 3.175 . 0 0 "[ . 1 . 2]" 1
27 1 4 GLU HA 1 6 ARG H . . 5.500 4.179 3.631 4.460 . 0 0 "[ . 1 . 2]" 1
28 1 4 GLU H 1 6 ARG H . . 4.500 4.080 3.935 4.470 . 0 0 "[ . 1 . 2]" 1
29 1 4 GLU HA 1 7 LYS QG . . 4.500 2.793 2.150 3.469 . 0 0 "[ . 1 . 2]" 1
30 1 4 GLU HA 1 7 LYS H . . 3.500 3.244 2.987 3.513 0.013 7 0 "[ . 1 . 2]" 1
31 1 4 GLU HA 1 7 LYS QB . . 4.500 2.981 2.183 4.280 . 0 0 "[ . 1 . 2]" 1
32 1 4 GLU HA 1 7 LYS QD . . 4.500 2.350 2.122 3.127 . 0 0 "[ . 1 . 2]" 1
33 1 4 GLU HA 1 7 LYS QE . . 4.500 3.736 2.220 4.504 0.004 19 0 "[ . 1 . 2]" 1
34 1 4 GLU QG 1 7 LYS QG . . 4.500 4.182 3.374 4.528 0.028 12 0 "[ . 1 . 2]" 1
35 1 4 GLU QG 1 7 LYS QB . . 5.500 4.367 3.119 5.314 . 0 0 "[ . 1 . 2]" 1
36 1 4 GLU QG 1 7 LYS QD . . 4.500 3.017 2.398 3.879 . 0 0 "[ . 1 . 2]" 1
37 1 4 GLU QB 1 7 LYS QG . . 4.500 4.492 3.995 4.601 0.101 20 0 "[ . 1 . 2]" 1
38 1 4 GLU QB 1 7 LYS QD . . 4.500 3.718 2.887 4.563 0.063 7 0 "[ . 1 . 2]" 1
39 1 4 GLU QB 1 7 LYS QE . . 5.500 4.758 2.807 5.541 0.041 1 0 "[ . 1 . 2]" 1
40 1 5 LYS H 1 5 LYS HB2 . . 3.500 2.502 2.327 2.586 . 0 0 "[ . 1 . 2]" 1
41 1 5 LYS HA 1 6 ARG H . . 5.500 3.533 3.450 3.568 . 0 0 "[ . 1 . 2]" 1
42 1 5 LYS HB2 1 6 ARG H . . 4.500 2.946 2.796 3.192 . 0 0 "[ . 1 . 2]" 1
43 1 5 LYS HB3 1 6 ARG H . . 4.500 3.728 3.449 4.041 . 0 0 "[ . 1 . 2]" 1
44 1 5 LYS H 1 6 ARG H . . 4.500 2.711 2.621 2.885 . 0 0 "[ . 1 . 2]" 1
45 1 5 LYS H 1 7 LYS H . . 5.500 4.329 4.137 4.648 . 0 0 "[ . 1 . 2]" 1
46 1 5 LYS H 1 7 LYS QD . . 5.500 5.472 5.191 5.551 0.051 19 0 "[ . 1 . 2]" 1
47 1 5 LYS HA 1 8 LEU HB2 . . 2.700 2.450 2.284 2.721 0.021 12 0 "[ . 1 . 2]" 1
48 1 5 LYS HA 1 8 LEU HG . . 3.500 3.303 2.390 3.605 0.105 6 0 "[ . 1 . 2]" 1
49 1 5 LYS HA 1 8 LEU H . . 4.500 3.327 3.045 3.465 . 0 0 "[ . 1 . 2]" 1
50 1 5 LYS HA 1 8 LEU MD1 . . 3.500 2.275 2.130 2.377 . 0 0 "[ . 1 . 2]" 1
51 1 5 LYS HA 1 9 ILE QG . . 5.500 4.199 4.058 4.408 . 0 0 "[ . 1 . 2]" 1
52 1 5 LYS HA 1 9 ILE H . . 4.500 3.916 3.769 4.045 . 0 0 "[ . 1 . 2]" 1
53 1 5 LYS HB3 1 9 ILE MD . . 5.500 3.015 2.740 3.426 . 0 0 "[ . 1 . 2]" 1
54 1 5 LYS HA 2 20 LEU MD2 . . 3.500 3.183 2.850 3.475 . 0 0 "[ . 1 . 2]" 1
55 1 5 LYS HB2 2 20 LEU MD2 . . 4.500 4.512 4.269 4.564 0.064 17 0 "[ . 1 . 2]" 1
56 1 5 LYS QG 2 20 LEU MD2 . . 4.500 2.985 2.243 3.476 . 0 0 "[ . 1 . 2]" 1
57 1 5 LYS QE 2 20 LEU MD2 . . 4.500 4.096 3.265 4.525 0.025 19 0 "[ . 1 . 2]" 1
58 1 5 LYS QE 2 24 ASP HA . . 5.500 5.194 4.435 5.529 0.029 8 0 "[ . 1 . 2]" 1
59 1 6 ARG HA 1 7 LYS H . . 5.500 3.572 3.530 3.651 . 0 0 "[ . 1 . 2]" 1
60 1 6 ARG QB 1 7 LYS H . . 4.500 2.687 2.439 2.898 . 0 0 "[ . 1 . 2]" 1
61 1 6 ARG QG 1 7 LYS H . . 5.500 4.153 3.486 4.476 . 0 0 "[ . 1 . 2]" 1
62 1 6 ARG H 1 7 LYS H . . 3.500 2.762 2.626 3.029 . 0 0 "[ . 1 . 2]" 1
63 1 6 ARG H 1 7 LYS QD . . 5.500 5.436 4.505 5.596 0.096 18 0 "[ . 1 . 2]" 1
64 1 6 ARG HA 1 9 ILE HB . . 4.500 2.460 2.285 3.019 . 0 0 "[ . 1 . 2]" 1
65 1 6 ARG HA 1 9 ILE QG . . 5.500 3.874 3.626 4.417 . 0 0 "[ . 1 . 2]" 1
66 1 6 ARG HA 1 9 ILE H . . 5.500 3.397 3.224 3.826 . 0 0 "[ . 1 . 2]" 1
67 1 6 ARG HA 1 9 ILE MD . . 4.500 2.577 2.362 3.238 . 0 0 "[ . 1 . 2]" 1
68 1 6 ARG HA 1 9 ILE MG . . 5.500 3.802 3.623 4.296 . 0 0 "[ . 1 . 2]" 1
69 1 6 ARG QG 1 9 ILE MD . . 4.500 3.495 2.935 4.246 . 0 0 "[ . 1 . 2]" 1
70 1 6 ARG HA 2 29 ALA MB . . 5.500 4.644 4.162 5.427 . 0 0 "[ . 1 . 2]" 1
71 1 7 LYS HA 1 7 LYS QB . . 2.700 2.328 2.095 2.521 . 0 0 "[ . 1 . 2]" 1
72 1 7 LYS HA 1 10 GLN HB2 . . 4.500 2.588 2.292 2.931 . 0 0 "[ . 1 . 2]" 1
73 1 7 LYS HA 1 10 GLN HB3 . . 4.500 4.122 3.727 4.501 0.001 5 0 "[ . 1 . 2]" 1
74 1 7 LYS HA 1 10 GLN QG . . 5.500 3.567 2.428 4.056 . 0 0 "[ . 1 . 2]" 1
75 1 7 LYS HA 1 10 GLN H . . 5.500 3.587 3.083 3.863 . 0 0 "[ . 1 . 2]" 1
76 1 8 LEU HA 1 8 LEU MD2 . . 2.700 2.149 2.098 2.314 . 0 0 "[ . 1 . 2]" 1
77 1 8 LEU HB2 1 8 LEU MD1 . . 2.700 2.323 2.295 2.372 . 0 0 "[ . 1 . 2]" 1
78 1 8 LEU HB3 1 8 LEU MD2 . . 2.700 2.400 2.318 2.490 . 0 0 "[ . 1 . 2]" 1
79 1 8 LEU H 1 8 LEU HG . . 2.700 2.351 2.143 2.566 . 0 0 "[ . 1 . 2]" 1
80 1 8 LEU H 1 8 LEU HB2 . . 3.500 2.469 2.394 2.704 . 0 0 "[ . 1 . 2]" 1
81 1 8 LEU HB2 1 9 ILE H . . 5.500 2.553 2.359 2.723 . 0 0 "[ . 1 . 2]" 1
82 1 8 LEU HB3 1 9 ILE H . . 4.500 3.486 3.356 3.660 . 0 0 "[ . 1 . 2]" 1
83 1 8 LEU H 1 9 ILE H . . 4.500 2.816 2.694 2.929 . 0 0 "[ . 1 . 2]" 1
84 1 8 LEU HA 1 11 GLN QB . . 4.500 3.117 2.455 4.490 . 0 0 "[ . 1 . 2]" 1
85 1 8 LEU HA 1 11 GLN QE . . 4.500 4.094 2.670 4.559 0.059 11 0 "[ . 1 . 2]" 1
86 1 8 LEU HA 1 11 GLN H . . 4.500 3.678 3.469 3.895 . 0 0 "[ . 1 . 2]" 1
87 1 8 LEU MD2 1 11 GLN QE . . 4.500 3.519 2.838 4.502 0.002 12 0 "[ . 1 . 2]" 1
88 1 8 LEU MD2 2 14 GLU HB2 . . 5.500 4.197 2.284 5.439 . 0 0 "[ . 1 . 2]" 1
89 1 8 LEU MD2 2 14 GLU HB3 . . 5.500 4.709 2.632 5.569 0.069 9 0 "[ . 1 . 2]" 1
90 1 8 LEU HB3 2 18 PRO QB . . 5.500 2.991 2.323 3.686 . 0 0 "[ . 1 . 2]" 1
91 1 8 LEU HB3 2 18 PRO QG . . 5.500 2.168 2.098 2.233 . 0 0 "[ . 1 . 2]" 1
92 1 8 LEU HG 2 18 PRO QG . . 5.500 4.705 4.339 5.042 . 0 0 "[ . 1 . 2]" 1
93 1 8 LEU MD1 2 18 PRO HA . . 4.500 4.078 3.654 4.417 . 0 0 "[ . 1 . 2]" 1
94 1 8 LEU MD1 2 18 PRO QB . . 4.500 2.162 2.079 2.245 . 0 0 "[ . 1 . 2]" 1
95 1 8 LEU MD1 2 18 PRO QG . . 3.500 3.140 2.359 3.515 0.015 12 0 "[ . 1 . 2]" 1
96 1 8 LEU MD2 2 18 PRO HA . . 4.500 4.048 3.792 4.322 . 0 0 "[ . 1 . 2]" 1
97 1 8 LEU MD2 2 18 PRO QB . . 4.500 2.217 2.100 2.518 . 0 0 "[ . 1 . 2]" 1
98 1 8 LEU MD2 2 18 PRO QG . . 3.500 2.645 2.320 3.470 . 0 0 "[ . 1 . 2]" 1
99 1 8 LEU HB2 2 20 LEU MD2 . . 4.500 2.737 2.383 3.359 . 0 0 "[ . 1 . 2]" 1
100 1 8 LEU HB3 2 20 LEU MD1 . . 4.500 2.528 2.200 3.099 . 0 0 "[ . 1 . 2]" 1
101 1 8 LEU HB3 2 20 LEU MD2 . . 4.500 3.035 2.573 3.679 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU MD1 2 20 LEU HG . . 4.500 3.549 3.073 4.025 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU MD1 2 20 LEU MD1 . . 4.500 3.682 2.916 4.254 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU MD1 2 20 LEU MD2 . . 3.500 2.787 2.345 3.106 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU MD2 2 20 LEU MD2 . . 4.500 4.387 4.076 4.523 0.023 15 0 "[ . 1 . 2]" 1
106 1 9 ILE H 1 9 ILE HB . . 3.500 2.369 2.317 2.435 . 0 0 "[ . 1 . 2]" 1
107 1 9 ILE HB 1 10 GLN H . . 3.500 2.674 2.560 2.811 . 0 0 "[ . 1 . 2]" 1
108 1 9 ILE MG 1 10 GLN HA . . 4.500 3.449 3.366 3.511 . 0 0 "[ . 1 . 2]" 1
109 1 9 ILE MG 1 10 GLN H . . 4.500 3.143 3.069 3.261 . 0 0 "[ . 1 . 2]" 1
110 1 9 ILE HA 1 12 GLN HB3 . . 5.500 4.391 3.971 4.815 . 0 0 "[ . 1 . 2]" 1
111 1 9 ILE HA 1 12 GLN QG . . 5.500 3.613 3.219 4.287 . 0 0 "[ . 1 . 2]" 1
112 1 9 ILE HA 2 20 LEU MD1 . . 4.500 2.607 2.306 3.222 . 0 0 "[ . 1 . 2]" 1
113 1 9 ILE HA 2 20 LEU MD2 . . 5.500 4.313 3.914 5.198 . 0 0 "[ . 1 . 2]" 1
114 1 9 ILE QG 2 20 LEU MD1 . . 4.500 2.102 2.009 2.208 . 0 0 "[ . 1 . 2]" 1
115 1 9 ILE MD 2 20 LEU MD1 . . 4.500 3.352 3.181 3.486 . 0 0 "[ . 1 . 2]" 1
116 1 9 ILE MD 2 20 LEU MD2 . . 5.500 2.922 2.645 3.391 . 0 0 "[ . 1 . 2]" 1
117 1 9 ILE MD 2 25 CYS HA . . 5.500 2.225 2.090 2.873 . 0 0 "[ . 1 . 2]" 1
118 1 9 ILE MD 2 28 ASN HA . . 4.500 4.368 4.254 4.496 . 0 0 "[ . 1 . 2]" 1
119 1 9 ILE MD 2 28 ASN HB2 . . 4.500 2.148 2.053 2.368 . 0 0 "[ . 1 . 2]" 1
120 1 9 ILE MD 2 28 ASN HB3 . . 4.500 2.452 2.201 2.571 . 0 0 "[ . 1 . 2]" 1
121 1 9 ILE HB 2 29 ALA MB . . 4.500 4.283 3.744 4.528 0.028 2 0 "[ . 1 . 2]" 1
122 1 9 ILE MD 2 29 ALA MB . . 3.500 2.916 2.397 3.397 . 0 0 "[ . 1 . 2]" 1
123 1 10 GLN H 1 10 GLN HB2 . . 3.500 2.437 2.188 2.722 . 0 0 "[ . 1 . 2]" 1
124 1 10 GLN HA 1 11 GLN H . . 5.500 3.591 3.554 3.635 . 0 0 "[ . 1 . 2]" 1
125 1 10 GLN HA 1 13 LEU HB2 . . 4.500 3.224 2.996 3.501 . 0 0 "[ . 1 . 2]" 1
126 1 10 GLN HA 1 13 LEU HB3 . . 4.500 3.060 2.778 3.265 . 0 0 "[ . 1 . 2]" 1
127 1 10 GLN HA 1 14 VAL MG2 . . 5.500 4.023 3.845 4.189 . 0 0 "[ . 1 . 2]" 1
128 1 10 GLN HA 1 84 VAL MG2 . . 4.500 2.701 2.333 3.131 . 0 0 "[ . 1 . 2]" 1
129 1 10 GLN HB3 1 84 VAL MG1 . . 4.500 3.724 3.131 4.215 . 0 0 "[ . 1 . 2]" 1
130 1 10 GLN QE 1 84 VAL HA . . 4.500 4.273 3.421 4.512 0.012 8 0 "[ . 1 . 2]" 1
131 1 10 GLN QE 1 84 VAL MG1 . . 4.500 3.672 2.652 4.092 . 0 0 "[ . 1 . 2]" 1
132 1 10 GLN QE 1 84 VAL MG2 . . 4.500 2.788 2.372 2.992 . 0 0 "[ . 1 . 2]" 1
133 1 10 GLN QG 1 84 VAL HA . . 4.500 4.532 4.250 4.616 0.116 10 0 "[ . 1 . 2]" 1
134 1 10 GLN QG 1 84 VAL MG1 . . 3.500 3.187 2.633 3.532 0.032 5 0 "[ . 1 . 2]" 1
135 1 10 GLN QG 1 84 VAL MG2 . . 4.500 1.943 1.903 1.997 . 0 0 "[ . 1 . 2]" 1
136 1 10 GLN H 1 84 VAL MG1 . . 5.500 5.372 4.988 5.550 0.050 12 0 "[ . 1 . 2]" 1
137 1 10 GLN H 1 84 VAL MG2 . . 4.500 4.393 4.102 4.536 0.036 3 0 "[ . 1 . 2]" 1
138 1 11 GLN HA 1 12 GLN H . . 4.500 3.615 3.592 3.653 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLN QG 1 12 GLN QG . . 4.500 3.903 2.620 4.521 0.021 5 0 "[ . 1 . 2]" 1
140 1 11 GLN HA 1 14 VAL HB . . 3.500 3.048 2.531 3.276 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLN HA 1 14 VAL H . . 4.500 3.769 3.365 3.984 . 0 0 "[ . 1 . 2]" 1
142 1 11 GLN HA 1 14 VAL MG1 . . 4.500 4.314 3.943 4.551 0.051 18 0 "[ . 1 . 2]" 1
143 1 11 GLN HA 1 14 VAL MG2 . . 4.500 3.809 3.320 4.159 . 0 0 "[ . 1 . 2]" 1
144 1 11 GLN QG 1 15 LEU MD1 . . 4.500 3.015 2.322 4.505 0.005 1 0 "[ . 1 . 2]" 1
145 1 11 GLN QE 1 43 MET ME . . 5.500 5.236 4.832 5.517 0.017 4 0 "[ . 1 . 2]" 1
146 1 12 GLN H 1 12 GLN HB2 . . 3.500 2.477 2.347 2.617 . 0 0 "[ . 1 . 2]" 1
147 1 12 GLN HA 1 13 LEU H . . 4.500 3.582 3.562 3.606 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLN H 1 13 LEU H . . 4.500 2.900 2.790 2.995 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLN HA 1 15 LEU HB2 . . 5.500 2.540 2.249 2.751 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLN HA 1 15 LEU HB3 . . 5.500 4.206 3.862 4.455 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLN HA 1 15 LEU HG . . 5.500 3.485 3.041 3.804 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLN HA 1 15 LEU MD1 . . 4.500 2.946 2.280 3.530 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLN HA 1 15 LEU MD2 . . 5.500 4.806 4.474 5.073 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLN QG 1 15 LEU HG . . 5.500 5.172 4.267 5.512 0.012 1 0 "[ . 1 . 2]" 1
155 1 12 GLN H 1 15 LEU MD1 . . 5.500 4.590 3.940 5.159 . 0 0 "[ . 1 . 2]" 1
156 1 12 GLN HA 1 43 MET ME . . 4.500 4.476 4.106 4.551 0.051 16 0 "[ . 1 . 2]" 1
157 1 12 GLN QE 1 43 MET ME . . 4.500 2.590 1.994 4.520 0.020 15 0 "[ . 1 . 2]" 1
158 1 12 GLN HB2 1 70 ILE MD . . 3.500 2.917 2.612 3.156 . 0 0 "[ . 1 . 2]" 1
159 1 12 GLN HB3 1 70 ILE MD . . 4.500 2.438 2.241 2.752 . 0 0 "[ . 1 . 2]" 1
160 1 12 GLN QG 1 70 ILE MD . . 4.500 4.075 3.875 4.384 . 0 0 "[ . 1 . 2]" 1
161 1 13 LEU HB2 1 14 VAL H . . 4.500 3.543 3.491 3.625 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU HB3 1 14 VAL H . . 4.500 2.415 2.343 2.574 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU HG 1 14 VAL H . . 5.500 4.830 4.751 4.907 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU H 1 14 VAL H . . 4.500 2.848 2.785 2.950 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU MD2 1 14 VAL H . . 4.500 3.590 3.438 3.771 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU MD1 1 16 LEU MD2 . . 5.500 5.500 5.390 5.550 0.050 17 0 "[ . 1 . 2]" 1
167 1 13 LEU MD2 1 16 LEU MD2 . . 5.500 4.587 4.158 4.932 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU H 1 17 LEU MD1 . . 5.500 5.602 5.576 5.621 0.121 12 0 "[ . 1 . 2]" 1
169 1 13 LEU HA 1 70 ILE HA . . 5.500 5.408 5.097 5.561 0.061 6 0 "[ . 1 . 2]" 1
170 1 13 LEU HA 1 70 ILE HB . . 3.500 2.903 2.644 3.083 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU HA 1 70 ILE MG . . 4.500 3.051 2.864 3.183 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU HB2 1 70 ILE MD . . 4.500 3.474 3.368 3.654 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU HB2 1 70 ILE MG . . 3.500 2.413 2.305 2.536 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU HB3 1 70 ILE MG . . 4.500 3.887 3.784 4.008 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU HG 1 70 ILE MG . . 2.700 2.751 2.712 2.803 0.103 7 0 "[ . 1 . 2]" 1
176 1 13 LEU H 1 70 ILE MG . . 3.500 3.132 2.872 3.303 . 0 0 "[ . 1 . 2]" 1
177 1 13 LEU MD2 1 70 ILE MD . . 4.500 3.972 3.619 4.263 . 0 0 "[ . 1 . 2]" 1
178 1 13 LEU MD2 1 70 ILE MG . . 4.500 3.960 3.937 3.989 . 0 0 "[ . 1 . 2]" 1
179 1 13 LEU MD1 1 71 ILE HA . . 5.500 4.894 4.592 5.093 . 0 0 "[ . 1 . 2]" 1
180 1 13 LEU MD2 1 71 ILE HA . . 5.500 4.422 4.022 4.778 . 0 0 "[ . 1 . 2]" 1
181 1 13 LEU MD1 1 74 TRP HD1 . . 4.500 4.269 3.697 4.511 0.011 9 0 "[ . 1 . 2]" 1
182 1 13 LEU MD1 1 74 TRP H . . 5.500 3.686 3.448 3.921 . 0 0 "[ . 1 . 2]" 1
183 1 13 LEU MD2 1 74 TRP H . . 4.500 4.433 4.140 4.545 0.045 8 0 "[ . 1 . 2]" 1
184 1 13 LEU MD1 1 84 VAL MG2 . . 2.700 2.545 2.280 2.714 0.014 8 0 "[ . 1 . 2]" 1
185 1 14 VAL HA 1 14 VAL MG1 . . 3.500 2.521 2.444 2.646 . 0 0 "[ . 1 . 2]" 1
186 1 14 VAL HA 1 14 VAL MG2 . . 2.700 2.281 2.172 2.373 . 0 0 "[ . 1 . 2]" 1
187 1 14 VAL H 1 14 VAL HB . . 2.700 2.422 2.310 2.503 . 0 0 "[ . 1 . 2]" 1
188 1 14 VAL H 1 14 VAL MG2 . . 2.700 2.241 2.148 2.348 . 0 0 "[ . 1 . 2]" 1
189 1 14 VAL HB 1 15 LEU HB2 . . 5.500 5.183 5.001 5.347 . 0 0 "[ . 1 . 2]" 1
190 1 14 VAL HB 1 15 LEU H . . 4.500 2.688 2.535 2.869 . 0 0 "[ . 1 . 2]" 1
191 1 14 VAL H 1 15 LEU H . . 3.500 2.863 2.705 2.962 . 0 0 "[ . 1 . 2]" 1
192 1 14 VAL H 1 15 LEU MD2 . . 5.500 5.518 5.375 5.608 0.108 18 0 "[ . 1 . 2]" 1
193 1 14 VAL MG1 1 15 LEU H . . 4.500 3.301 2.970 3.539 . 0 0 "[ . 1 . 2]" 1
194 1 14 VAL MG2 1 15 LEU H . . 5.500 4.020 3.917 4.102 . 0 0 "[ . 1 . 2]" 1
195 1 14 VAL HA 1 17 LEU HB2 . . 4.500 2.756 2.547 2.926 . 0 0 "[ . 1 . 2]" 1
196 1 14 VAL HA 1 17 LEU HB3 . . 4.500 4.292 4.139 4.446 . 0 0 "[ . 1 . 2]" 1
197 1 14 VAL HA 1 17 LEU MD1 . . 4.500 2.935 2.302 4.104 . 0 0 "[ . 1 . 2]" 1
198 1 14 VAL MG2 1 17 LEU MD1 . . 5.500 3.792 2.994 5.025 . 0 0 "[ . 1 . 2]" 1
199 1 14 VAL MG2 1 17 LEU MD2 . . 5.500 4.975 3.757 5.538 0.038 10 0 "[ . 1 . 2]" 1
200 1 14 VAL MG1 1 37 LEU MD2 . . 4.500 4.487 4.074 4.578 0.078 10 0 "[ . 1 . 2]" 1
201 1 14 VAL HA 1 88 LEU MD1 . . 5.500 3.898 3.483 4.251 . 0 0 "[ . 1 . 2]" 1
202 1 14 VAL HA 1 88 LEU MD2 . . 4.500 3.578 3.266 3.978 . 0 0 "[ . 1 . 2]" 1
203 1 14 VAL MG2 1 88 LEU HG . . 4.500 4.018 3.566 4.401 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL MG2 1 88 LEU MD1 . . 4.500 3.214 2.754 3.544 . 0 0 "[ . 1 . 2]" 1
205 1 14 VAL MG2 1 88 LEU MD2 . . 4.500 2.806 2.328 3.236 . 0 0 "[ . 1 . 2]" 1
206 1 14 VAL MG1 2 4 ALA HA . . 5.500 4.692 3.658 5.591 0.091 13 0 "[ . 1 . 2]" 1
207 1 14 VAL MG1 2 4 ALA MB . . 4.500 2.729 2.163 3.337 . 0 0 "[ . 1 . 2]" 1
208 1 14 VAL MG2 2 4 ALA HA . . 4.500 3.737 2.638 4.438 . 0 0 "[ . 1 . 2]" 1
209 1 14 VAL MG2 2 4 ALA MB . . 4.500 2.420 1.954 3.173 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL MG1 2 5 CYS QB . . 4.500 3.138 2.190 4.507 0.007 5 0 "[ . 1 . 2]" 1
211 1 15 LEU HA 1 15 LEU HB3 . . 2.700 2.468 2.437 2.529 . 0 0 "[ . 1 . 2]" 1
212 1 15 LEU H 1 15 LEU HB2 . . 2.700 2.577 2.470 2.633 . 0 0 "[ . 1 . 2]" 1
213 1 15 LEU H 1 16 LEU H . . 5.500 2.874 2.819 2.933 . 0 0 "[ . 1 . 2]" 1
214 1 15 LEU HA 1 18 HIS HB2 . . 4.500 3.674 3.294 3.959 . 0 0 "[ . 1 . 2]" 1
215 1 15 LEU HA 1 18 HIS HB3 . . 4.500 2.620 2.345 2.794 . 0 0 "[ . 1 . 2]" 1
216 1 15 LEU MD1 1 37 LEU MD1 . . 5.500 4.661 3.878 5.547 0.047 13 0 "[ . 1 . 2]" 1
217 1 15 LEU MD1 1 40 CYS HA . . 4.500 4.340 3.882 4.536 0.036 9 0 "[ . 1 . 2]" 1
218 1 15 LEU MD1 1 40 CYS QB . . 5.500 5.106 4.735 5.314 . 0 0 "[ . 1 . 2]" 1
219 1 15 LEU MD2 1 40 CYS QB . . 4.500 4.010 3.242 4.490 . 0 0 "[ . 1 . 2]" 1
220 1 15 LEU MD1 1 42 THR HB . . 5.500 4.728 4.361 5.033 . 0 0 "[ . 1 . 2]" 1
221 1 15 LEU MD1 1 42 THR MG . . 5.500 5.193 4.700 5.464 . 0 0 "[ . 1 . 2]" 1
222 1 15 LEU HG 1 43 MET QG . . 4.500 4.502 4.377 4.606 0.106 3 0 "[ . 1 . 2]" 1
223 1 15 LEU MD1 1 43 MET HA . . 5.500 5.548 5.515 5.574 0.074 11 0 "[ . 1 . 2]" 1
224 1 15 LEU MD1 1 43 MET QG . . 4.500 2.881 2.583 3.277 . 0 0 "[ . 1 . 2]" 1
225 1 15 LEU MD1 1 43 MET ME . . 4.500 3.344 2.917 3.679 . 0 0 "[ . 1 . 2]" 1
226 1 15 LEU MD2 1 43 MET QG . . 4.500 3.864 3.484 4.225 . 0 0 "[ . 1 . 2]" 1
227 1 15 LEU MD2 2 12 MET ME . . 5.500 2.639 2.111 4.560 . 0 0 "[ . 1 . 2]" 1
228 1 15 LEU MD1 2 17 LEU HA . . 5.500 4.442 4.142 4.897 . 0 0 "[ . 1 . 2]" 1
229 1 15 LEU MD1 2 17 LEU QB . . 5.500 4.753 4.545 4.960 . 0 0 "[ . 1 . 2]" 1
230 1 15 LEU MD1 2 17 LEU HG . . 4.500 3.951 3.177 4.260 . 0 0 "[ . 1 . 2]" 1
231 1 15 LEU MD1 2 17 LEU MD1 . . 4.500 3.618 3.145 3.861 . 0 0 "[ . 1 . 2]" 1
232 1 15 LEU MD1 2 17 LEU MD2 . . 4.500 2.178 2.027 2.387 . 0 0 "[ . 1 . 2]" 1
233 1 15 LEU MD2 2 17 LEU MD1 . . 5.500 5.391 4.859 5.554 0.054 18 0 "[ . 1 . 2]" 1
234 1 15 LEU MD2 2 17 LEU MD2 . . 4.500 4.155 3.772 4.487 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU HA 1 17 LEU H . . 4.500 3.557 3.531 3.593 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU HB2 1 17 LEU H . . 5.500 3.855 3.780 3.891 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU HB3 1 17 LEU H . . 5.500 2.546 2.472 2.608 . 0 0 "[ . 1 . 2]" 1
238 1 16 LEU HG 1 17 LEU H . . 4.500 3.778 3.685 3.852 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU H 1 17 LEU H . . 4.500 2.789 2.738 2.836 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU MD1 1 17 LEU H . . 4.500 4.508 4.454 4.540 0.040 16 0 "[ . 1 . 2]" 1
241 1 16 LEU MD2 1 17 LEU H . . 5.500 4.277 4.162 4.368 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU HA 1 19 ALA MB . . 4.500 2.604 2.390 2.838 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU MD1 1 19 ALA MB . . 3.500 2.863 2.562 3.087 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU MD2 1 19 ALA MB . . 5.500 5.021 4.789 5.169 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU MD1 1 20 HIS QB . . 4.500 4.534 4.480 4.579 0.079 12 0 "[ . 1 . 2]" 1
246 1 16 LEU HA 1 43 MET ME . . 5.500 5.120 4.832 5.252 . 0 0 "[ . 1 . 2]" 1
247 1 16 LEU H 1 43 MET ME . . 5.500 5.404 5.215 5.526 0.026 11 0 "[ . 1 . 2]" 1
248 1 16 LEU MD1 1 43 MET QG . . 5.500 3.584 2.858 4.390 . 0 0 "[ . 1 . 2]" 1
249 1 16 LEU MD1 1 43 MET ME . . 4.500 4.281 3.937 4.518 0.018 12 0 "[ . 1 . 2]" 1
250 1 16 LEU MD1 1 47 LEU H . . 4.500 3.726 3.559 3.941 . 0 0 "[ . 1 . 2]" 1
251 1 16 LEU MD1 1 67 SER HB2 . . 4.500 2.829 2.468 3.246 . 0 0 "[ . 1 . 2]" 1
252 1 16 LEU MD1 1 67 SER HB3 . . 4.500 3.178 2.758 3.519 . 0 0 "[ . 1 . 2]" 1
253 1 16 LEU MD2 1 67 SER HB2 . . 5.500 2.141 2.053 2.264 . 0 0 "[ . 1 . 2]" 1
254 1 16 LEU MD2 1 67 SER HB3 . . 4.500 2.754 2.634 2.931 . 0 0 "[ . 1 . 2]" 1
255 1 16 LEU MD2 1 68 ARG H . . 5.500 4.718 4.488 5.018 . 0 0 "[ . 1 . 2]" 1
256 1 16 LEU HA 1 70 ILE MD . . 5.500 4.748 4.623 4.935 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU HB2 1 70 ILE MD . . 4.500 2.709 2.601 2.896 . 0 0 "[ . 1 . 2]" 1
258 1 16 LEU HB3 1 70 ILE MD . . 4.500 2.668 2.466 2.863 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU MD1 1 70 ILE MD . . 3.500 3.578 3.541 3.622 0.122 15 0 "[ . 1 . 2]" 1
260 1 16 LEU MD2 2 47 LEU MD2 . . 4.500 2.854 2.577 3.094 . 0 0 "[ . 1 . 2]" 1
261 1 17 LEU H 1 17 LEU HB2 . . 3.500 2.345 2.218 2.449 . 0 0 "[ . 1 . 2]" 1
262 1 17 LEU HA 1 18 HIS H . . 4.500 3.586 3.560 3.614 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU HA 1 20 HIS H . . 4.500 3.943 3.772 4.183 . 0 0 "[ . 1 . 2]" 1
264 1 17 LEU HA 1 20 HIS QB . . 4.500 3.730 3.476 4.188 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU HA 1 21 LYS H . . 4.500 4.431 4.081 4.625 0.125 13 0 "[ . 1 . 2]" 1
266 1 17 LEU H 1 70 ILE MD . . 5.500 4.622 4.334 4.852 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU MD1 1 74 TRP HZ2 . . 5.500 5.035 4.470 5.578 0.078 11 0 "[ . 1 . 2]" 1
268 1 17 LEU HB2 1 88 LEU MD2 . . 5.500 3.934 3.661 4.247 . 0 0 "[ . 1 . 2]" 1
269 1 17 LEU MD1 1 88 LEU MD1 . . 3.500 2.424 1.922 3.413 . 0 0 "[ . 1 . 2]" 1
270 1 17 LEU MD1 1 88 LEU MD2 . . 4.500 2.878 2.056 4.323 . 0 0 "[ . 1 . 2]" 1
271 1 17 LEU MD2 1 88 LEU MD1 . . 4.500 2.898 1.921 3.506 . 0 0 "[ . 1 . 2]" 1
272 1 17 LEU HA 2 47 LEU HA . . 5.500 3.811 3.582 4.260 . 0 0 "[ . 1 . 2]" 1
273 1 17 LEU HA 2 47 LEU MD1 . . 4.500 3.491 3.203 3.679 . 0 0 "[ . 1 . 2]" 1
274 1 17 LEU HA 2 47 LEU MD2 . . 4.500 2.292 2.081 2.618 . 0 0 "[ . 1 . 2]" 1
275 1 17 LEU HG 2 47 LEU MD2 . . 5.500 3.162 2.881 3.326 . 0 0 "[ . 1 . 2]" 1
276 1 17 LEU MD1 2 47 LEU HA . . 5.500 4.407 3.455 4.940 . 0 0 "[ . 1 . 2]" 1
277 1 17 LEU MD1 2 47 LEU MD2 . . 4.500 3.487 2.172 4.240 . 0 0 "[ . 1 . 2]" 1
278 1 17 LEU MD2 2 47 LEU HA . . 4.500 2.999 2.110 4.513 0.013 16 0 "[ . 1 . 2]" 1
279 1 17 LEU MD2 2 47 LEU MD2 . . 4.500 2.808 2.063 4.181 . 0 0 "[ . 1 . 2]" 1
280 1 17 LEU HA 2 50 VAL MG2 . . 4.500 3.737 3.307 4.180 . 0 0 "[ . 1 . 2]" 1
281 1 17 LEU MD1 2 50 VAL MG1 . . 5.500 4.141 3.549 5.028 . 0 0 "[ . 1 . 2]" 1
282 1 17 LEU MD1 2 50 VAL MG2 . . 5.500 3.038 2.439 3.571 . 0 0 "[ . 1 . 2]" 1
283 1 17 LEU MD2 2 50 VAL MG1 . . 5.500 3.529 2.496 4.040 . 0 0 "[ . 1 . 2]" 1
284 1 17 LEU MD2 2 50 VAL MG2 . . 5.500 2.074 1.995 2.139 . 0 0 "[ . 1 . 2]" 1
285 1 18 HIS H 1 18 HIS HB2 . . 2.700 2.597 2.522 2.699 . 0 0 "[ . 1 . 2]" 1
286 1 18 HIS H 1 18 HIS HB3 . . 2.700 2.528 2.428 2.639 . 0 0 "[ . 1 . 2]" 1
287 1 18 HIS HB2 1 19 ALA H . . 5.500 3.950 3.856 4.049 . 0 0 "[ . 1 . 2]" 1
288 1 18 HIS HB3 1 19 ALA H . . 5.500 2.589 2.461 2.736 . 0 0 "[ . 1 . 2]" 1
289 1 18 HIS HD2 1 19 ALA HA . . 4.500 2.727 2.523 3.097 . 0 0 "[ . 1 . 2]" 1
290 1 18 HIS HD2 1 19 ALA MB . . 5.500 3.788 3.566 4.013 . 0 0 "[ . 1 . 2]" 1
291 1 18 HIS H 1 19 ALA H . . 4.500 2.914 2.842 2.986 . 0 0 "[ . 1 . 2]" 1
292 1 18 HIS HA 1 21 LYS QG . . 4.500 4.289 3.827 4.519 0.019 15 0 "[ . 1 . 2]" 1
293 1 18 HIS HA 1 21 LYS QB . . 4.500 2.425 2.195 2.727 . 0 0 "[ . 1 . 2]" 1
294 1 18 HIS HA 1 21 LYS QD . . 5.500 4.094 3.072 5.619 0.119 10 0 "[ . 1 . 2]" 1
295 1 18 HIS HE1 1 37 LEU MD1 . . 4.500 4.031 3.383 4.523 0.023 8 0 "[ . 1 . 2]" 1
296 1 18 HIS HD2 1 40 CYS HA . . 5.500 3.921 3.375 4.245 . 0 0 "[ . 1 . 2]" 1
297 1 19 ALA H 1 20 HIS H . . 4.500 3.162 3.039 3.306 . 0 0 "[ . 1 . 2]" 1
298 1 19 ALA MB 1 20 HIS H . . 3.500 2.472 2.357 2.603 . 0 0 "[ . 1 . 2]" 1
299 1 19 ALA HA 1 22 CYS QB . . 4.500 2.766 2.462 3.000 . 0 0 "[ . 1 . 2]" 1
300 1 19 ALA HA 1 23 GLN H . . 5.500 4.324 3.920 4.882 . 0 0 "[ . 1 . 2]" 1
301 1 19 ALA MB 1 40 CYS HA . . 4.500 3.403 3.158 3.726 . 0 0 "[ . 1 . 2]" 1
302 1 19 ALA MB 1 40 CYS QB . . 5.500 4.567 4.329 4.805 . 0 0 "[ . 1 . 2]" 1
303 1 19 ALA HA 1 43 MET QG . . 5.500 5.471 5.117 5.589 0.089 20 0 "[ . 1 . 2]" 1
304 1 19 ALA MB 1 43 MET HA . . 5.500 4.052 3.947 4.145 . 0 0 "[ . 1 . 2]" 1
305 1 19 ALA MB 1 43 MET QB . . 3.500 1.997 1.939 2.070 . 0 0 "[ . 1 . 2]" 1
306 1 19 ALA MB 1 43 MET QG . . 4.500 3.271 3.069 3.430 . 0 0 "[ . 1 . 2]" 1
307 1 19 ALA MB 1 44 LYS HB2 . . 5.500 4.113 3.978 4.292 . 0 0 "[ . 1 . 2]" 1
308 1 19 ALA MB 1 44 LYS QD . . 4.500 4.036 3.655 4.213 . 0 0 "[ . 1 . 2]" 1
309 1 19 ALA MB 1 44 LYS QG . . 3.500 2.190 2.066 2.289 . 0 0 "[ . 1 . 2]" 1
310 1 19 ALA MB 1 47 LEU MD2 . . 4.500 4.197 3.948 4.438 . 0 0 "[ . 1 . 2]" 1
311 1 20 HIS H 1 20 HIS QB . . 2.700 2.297 2.238 2.391 . 0 0 "[ . 1 . 2]" 1
312 1 20 HIS HA 1 21 LYS H . . 5.500 3.579 3.552 3.597 . 0 0 "[ . 1 . 2]" 1
313 1 20 HIS H 1 21 LYS H . . 4.500 2.690 2.567 2.803 . 0 0 "[ . 1 . 2]" 1
314 1 20 HIS QB 1 21 LYS H . . 3.500 2.696 2.572 2.868 . 0 0 "[ . 1 . 2]" 1
315 1 20 HIS HA 1 23 GLN QB . . 5.500 2.889 2.089 4.496 . 0 0 "[ . 1 . 2]" 1
316 1 20 HIS HA 1 23 GLN H . . 5.500 3.441 3.000 3.860 . 0 0 "[ . 1 . 2]" 1
317 1 20 HIS HA 1 47 LEU MD1 . . 4.500 3.915 3.508 4.170 . 0 0 "[ . 1 . 2]" 1
318 1 20 HIS H 1 47 LEU MD1 . . 5.500 5.136 4.863 5.280 . 0 0 "[ . 1 . 2]" 1
319 1 20 HIS QB 1 47 LEU MD1 . . 3.500 3.390 3.128 3.541 0.041 18 0 "[ . 1 . 2]" 1
320 1 20 HIS QB 1 47 LEU MD2 . . 5.500 3.147 2.731 3.381 . 0 0 "[ . 1 . 2]" 1
321 1 20 HIS HA 2 47 LEU MD1 . . 4.500 4.041 3.916 4.155 . 0 0 "[ . 1 . 2]" 1
322 1 20 HIS QB 2 47 LEU MD1 . . 4.500 1.964 1.933 2.022 . 0 0 "[ . 1 . 2]" 1
323 1 21 LYS H 1 22 CYS H . . 4.500 2.789 2.709 2.917 . 0 0 "[ . 1 . 2]" 1
324 1 21 LYS QB 1 22 CYS H . . 5.500 2.545 2.340 2.883 . 0 0 "[ . 1 . 2]" 1
325 1 21 LYS HA 1 24 ARG QB . . 5.500 2.746 2.238 3.590 . 0 0 "[ . 1 . 2]" 1
326 1 21 LYS QG 1 25 ARG QB . . 4.500 3.958 3.010 4.571 0.071 6 0 "[ . 1 . 2]" 1
327 1 21 LYS QG 2 50 VAL MG1 . . 4.500 4.018 3.418 4.519 0.019 20 0 "[ . 1 . 2]" 1
328 1 21 LYS QE 2 50 VAL MG1 . . 5.500 2.507 1.943 3.539 . 0 0 "[ . 1 . 2]" 1
329 1 21 LYS QE 2 50 VAL MG2 . . 3.500 3.415 2.639 3.575 0.075 3 0 "[ . 1 . 2]" 1
330 1 21 LYS QG 2 51 ASN HA . . 4.500 4.357 2.969 4.620 0.120 13 0 "[ . 1 . 2]" 1
331 1 21 LYS QE 2 51 ASN HA . . 5.500 4.115 3.301 5.385 . 0 0 "[ . 1 . 2]" 1
332 1 22 CYS HA 1 22 CYS HB2 . . 2.700 2.481 2.379 2.537 . 0 0 "[ . 1 . 2]" 1
333 1 22 CYS H 1 22 CYS HB2 . . 2.700 2.255 2.134 2.393 . 0 0 "[ . 1 . 2]" 1
334 1 22 CYS H 1 22 CYS HB3 . . 2.700 2.432 2.215 2.597 . 0 0 "[ . 1 . 2]" 1
335 1 22 CYS HA 1 23 GLN H . . 4.500 3.590 3.549 3.607 . 0 0 "[ . 1 . 2]" 1
336 1 22 CYS QB 1 23 GLN H . . 4.500 2.417 2.194 2.924 . 0 0 "[ . 1 . 2]" 1
337 1 22 CYS H 1 23 GLN H . . 5.500 2.867 2.691 3.070 . 0 0 "[ . 1 . 2]" 1
338 1 22 CYS HA 1 25 ARG QB . . 3.500 2.663 2.083 3.126 . 0 0 "[ . 1 . 2]" 1
339 1 22 CYS HA 1 25 ARG QG . . 5.500 4.407 2.837 5.157 . 0 0 "[ . 1 . 2]" 1
340 1 22 CYS HA 1 25 ARG H . . 4.500 3.686 3.043 4.020 . 0 0 "[ . 1 . 2]" 1
341 1 22 CYS HA 1 25 ARG QD . . 4.500 3.771 2.281 4.556 0.056 19 0 "[ . 1 . 2]" 1
342 1 23 GLN HA 1 24 ARG H . . 5.500 3.576 3.553 3.592 . 0 0 "[ . 1 . 2]" 1
343 1 23 GLN QB 1 24 ARG H . . 5.500 2.549 2.305 3.576 . 0 0 "[ . 1 . 2]" 1
344 1 23 GLN H 1 24 ARG H . . 4.500 2.856 2.772 2.967 . 0 0 "[ . 1 . 2]" 1
345 1 23 GLN HA 1 26 GLU QG . . 4.500 4.259 2.226 4.522 0.022 13 0 "[ . 1 . 2]" 1
346 1 23 GLN HA 1 26 GLU QB . . 4.500 2.805 2.455 4.280 . 0 0 "[ . 1 . 2]" 1
347 1 23 GLN QE 1 47 LEU MD1 . . 5.500 2.851 2.048 4.463 . 0 0 "[ . 1 . 2]" 1
348 1 24 ARG H 1 24 ARG QB . . 3.500 2.240 2.135 2.306 . 0 0 "[ . 1 . 2]" 1
349 1 24 ARG HA 1 25 ARG H . . 4.500 3.552 3.514 3.581 . 0 0 "[ . 1 . 2]" 1
350 1 24 ARG H 1 25 ARG H . . 5.500 2.834 2.646 2.952 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG QB 1 25 ARG H . . 3.500 2.433 2.221 2.601 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG QG 1 25 ARG HA . . 4.500 3.868 3.539 4.239 . 0 0 "[ . 1 . 2]" 1
353 1 24 ARG QG 1 25 ARG H . . 5.500 3.551 3.258 3.834 . 0 0 "[ . 1 . 2]" 1
354 1 24 ARG HA 1 27 GLN QB . . 4.500 2.962 2.627 4.154 . 0 0 "[ . 1 . 2]" 1
355 1 25 ARG HA 1 26 GLU H . . 3.500 3.540 3.522 3.559 0.059 10 0 "[ . 1 . 2]" 1
356 1 25 ARG QB 1 26 GLU H . . 4.500 2.441 2.307 2.641 . 0 0 "[ . 1 . 2]" 1
357 1 25 ARG QG 1 26 GLU H . . 5.500 3.710 3.252 4.202 . 0 0 "[ . 1 . 2]" 1
358 1 25 ARG H 1 26 GLU H . . 4.500 2.866 2.758 2.995 . 0 0 "[ . 1 . 2]" 1
359 1 25 ARG HA 1 28 ALA MB . . 4.500 2.703 2.341 3.184 . 0 0 "[ . 1 . 2]" 1
360 1 26 GLU HA 1 27 GLN H . . 4.500 3.590 3.573 3.607 . 0 0 "[ . 1 . 2]" 1
361 1 26 GLU QG 1 27 GLN QG . . 4.500 3.991 3.403 4.539 0.039 3 0 "[ . 1 . 2]" 1
362 1 26 GLU QG 1 27 GLN H . . 4.500 3.564 2.320 4.098 . 0 0 "[ . 1 . 2]" 1
363 1 26 GLU H 1 27 GLN H . . 3.500 2.920 2.842 3.071 . 0 0 "[ . 1 . 2]" 1
364 1 26 GLU QB 1 27 GLN H . . 3.500 2.555 2.378 3.543 0.043 10 0 "[ . 1 . 2]" 1
365 1 26 GLU HA 1 29 ASN H . . 4.500 3.924 3.218 4.521 0.021 14 0 "[ . 1 . 2]" 1
366 1 27 GLN H 1 27 GLN QB . . 3.500 2.373 2.330 2.554 . 0 0 "[ . 1 . 2]" 1
367 1 27 GLN HA 1 28 ALA H . . 4.500 3.580 3.539 3.596 . 0 0 "[ . 1 . 2]" 1
368 1 27 GLN QG 1 28 ALA H . . 5.500 4.158 2.592 4.317 . 0 0 "[ . 1 . 2]" 1
369 1 27 GLN H 1 28 ALA H . . 4.500 2.795 2.726 2.873 . 0 0 "[ . 1 . 2]" 1
370 1 27 GLN QB 1 28 ALA H . . 4.500 2.620 2.447 3.686 . 0 0 "[ . 1 . 2]" 1
371 1 28 ALA MB 1 29 ASN H . . 4.500 2.328 2.081 2.515 . 0 0 "[ . 1 . 2]" 1
372 1 29 ASN HA 1 30 GLY H . . 4.500 2.441 2.104 3.587 . 0 0 "[ . 1 . 2]" 1
373 1 29 ASN H 1 30 GLY H . . 5.500 3.683 2.188 4.286 . 0 0 "[ . 1 . 2]" 1
374 1 32 VAL HA 1 32 VAL MG1 . . 2.700 2.396 2.363 2.423 . 0 0 "[ . 1 . 2]" 1
375 1 32 VAL HA 1 32 VAL MG2 . . 2.700 2.427 2.392 2.475 . 0 0 "[ . 1 . 2]" 1
376 1 32 VAL H 1 32 VAL HB . . 2.700 2.602 2.503 2.746 0.046 12 0 "[ . 1 . 2]" 1
377 1 32 VAL HB 1 33 ARG HA . . 5.500 4.964 4.472 5.484 . 0 0 "[ . 1 . 2]" 1
378 1 32 VAL HB 1 33 ARG H . . 4.500 2.997 2.138 4.476 . 0 0 "[ . 1 . 2]" 1
379 1 32 VAL QG 1 33 ARG H . . 4.500 3.060 2.509 3.375 . 0 0 "[ . 1 . 2]" 1
380 1 33 ARG H 1 33 ARG QB . . 2.700 2.646 2.207 3.252 0.552 13 2 "[ . 1- + . 2]" 1
381 1 33 ARG HA 1 34 ALA H . . 3.500 2.290 2.084 3.352 . 0 0 "[ . 1 . 2]" 1
382 1 33 ARG QG 1 34 ALA H . . 5.500 3.799 1.973 4.909 . 0 0 "[ . 1 . 2]" 1
383 1 34 ALA HA 1 35 CYS H . . 3.500 3.509 3.183 3.561 0.061 7 0 "[ . 1 . 2]" 1
384 1 34 ALA HA 1 35 CYS QB . . 5.500 5.034 4.244 5.167 . 0 0 "[ . 1 . 2]" 1
385 1 34 ALA H 1 35 CYS H . . 3.500 2.545 2.047 3.159 . 0 0 "[ . 1 . 2]" 1
386 1 34 ALA MB 1 35 CYS H . . 3.500 2.405 2.025 3.480 . 0 0 "[ . 1 . 2]" 1
387 1 35 CYS HA 1 35 CYS HB2 . . 2.700 2.579 2.537 2.615 . 0 0 "[ . 1 . 2]" 1
388 1 35 CYS H 1 35 CYS HB2 . . 2.700 2.343 2.141 2.879 0.179 16 0 "[ . 1 . 2]" 1
389 1 35 CYS H 1 35 CYS HB3 . . 2.700 2.659 2.559 2.760 0.060 16 0 "[ . 1 . 2]" 1
390 1 35 CYS H 1 35 CYS QB . . 3.500 2.187 2.042 2.508 . 0 0 "[ . 1 . 2]" 1
391 1 35 CYS HA 1 36 SER HA . . 5.500 4.531 4.395 4.600 . 0 0 "[ . 1 . 2]" 1
392 1 37 LEU HA 1 38 PRO QD . . 2.700 2.081 1.998 2.121 . 0 0 "[ . 1 . 2]" 1
393 1 37 LEU QB 1 38 PRO HD2 . . 4.500 3.158 2.530 3.831 . 0 0 "[ . 1 . 2]" 1
394 1 37 LEU MD1 1 38 PRO QD . . 5.500 4.502 3.980 5.074 . 0 0 "[ . 1 . 2]" 1
395 1 37 LEU QB 1 40 CYS HB2 . . 4.500 2.371 2.046 3.470 . 0 0 "[ . 1 . 2]" 1
396 1 37 LEU QB 1 40 CYS HB3 . . 4.500 3.477 2.409 4.187 . 0 0 "[ . 1 . 2]" 1
397 1 37 LEU MD1 2 12 MET ME . . 5.500 4.489 3.349 5.510 0.010 20 0 "[ . 1 . 2]" 1
398 1 40 CYS HA 1 40 CYS HB2 . . 2.700 2.464 2.359 2.598 . 0 0 "[ . 1 . 2]" 1
399 1 40 CYS H 1 40 CYS HB2 . . 2.700 2.413 2.110 2.612 . 0 0 "[ . 1 . 2]" 1
400 1 40 CYS H 1 40 CYS HB3 . . 2.700 2.446 2.199 2.705 0.005 13 0 "[ . 1 . 2]" 1
401 1 40 CYS HA 1 43 MET QB . . 4.500 2.751 2.574 2.904 . 0 0 "[ . 1 . 2]" 1
402 1 40 CYS HA 1 43 MET ME . . 5.500 5.397 5.103 5.572 0.072 19 0 "[ . 1 . 2]" 1
403 1 41 ARG HA 1 42 THR H . . 4.500 3.558 3.502 3.584 . 0 0 "[ . 1 . 2]" 1
404 1 41 ARG QB 1 42 THR H . . 4.500 2.675 2.429 3.519 . 0 0 "[ . 1 . 2]" 1
405 1 41 ARG QG 1 42 THR H . . 4.500 3.960 2.183 4.531 0.031 7 0 "[ . 1 . 2]" 1
406 1 41 ARG QG 1 45 ASN QD . . 5.500 3.138 2.243 4.526 . 0 0 "[ . 1 . 2]" 1
407 1 41 ARG QG 1 45 ASN H . . 5.500 4.804 3.985 5.614 0.114 20 0 "[ . 1 . 2]" 1
408 1 42 THR H 1 42 THR HB . . 3.500 2.739 2.606 2.860 . 0 0 "[ . 1 . 2]" 1
409 1 42 THR HA 1 43 MET H . . 5.500 3.607 3.581 3.629 . 0 0 "[ . 1 . 2]" 1
410 1 42 THR HB 1 43 MET ME . . 5.500 2.855 2.445 3.279 . 0 0 "[ . 1 . 2]" 1
411 1 42 THR H 1 43 MET H . . 4.500 2.805 2.648 2.914 . 0 0 "[ . 1 . 2]" 1
412 1 42 THR MG 1 43 MET HA . . 4.500 3.838 3.607 4.071 . 0 0 "[ . 1 . 2]" 1
413 1 42 THR MG 1 43 MET QG . . 4.500 4.367 4.049 4.526 0.026 19 0 "[ . 1 . 2]" 1
414 1 42 THR MG 1 43 MET H . . 5.500 3.576 3.397 3.746 . 0 0 "[ . 1 . 2]" 1
415 1 42 THR MG 1 43 MET ME . . 2.700 2.399 2.070 2.705 0.005 15 0 "[ . 1 . 2]" 1
416 1 42 THR HA 1 45 ASN HB2 . . 4.500 2.851 2.588 3.277 . 0 0 "[ . 1 . 2]" 1
417 1 42 THR HA 1 45 ASN HB3 . . 5.500 4.448 4.194 4.756 . 0 0 "[ . 1 . 2]" 1
418 1 42 THR HA 1 45 ASN QD . . 4.500 3.241 2.476 3.611 . 0 0 "[ . 1 . 2]" 1
419 1 42 THR MG 1 63 HIS HD2 . . 4.500 4.313 3.236 4.585 0.085 10 0 "[ . 1 . 2]" 1
420 1 42 THR HB 2 17 LEU MD1 . . 4.500 2.567 2.200 3.593 . 0 0 "[ . 1 . 2]" 1
421 1 42 THR HB 2 17 LEU MD2 . . 5.500 3.909 3.319 4.313 . 0 0 "[ . 1 . 2]" 1
422 1 42 THR MG 2 17 LEU MD1 . . 4.500 2.155 2.046 2.405 . 0 0 "[ . 1 . 2]" 1
423 1 42 THR MG 2 17 LEU MD2 . . 4.500 3.843 3.384 4.100 . 0 0 "[ . 1 . 2]" 1
424 1 43 MET QB 1 44 LYS H . . 5.500 2.829 2.668 2.958 . 0 0 "[ . 1 . 2]" 1
425 1 43 MET H 1 44 LYS H . . 5.500 2.843 2.787 2.937 . 0 0 "[ . 1 . 2]" 1
426 1 43 MET HA 1 46 VAL HB . . 4.500 2.255 2.201 2.320 . 0 0 "[ . 1 . 2]" 1
427 1 43 MET HA 1 46 VAL H . . 4.500 3.373 3.212 3.523 . 0 0 "[ . 1 . 2]" 1
428 1 43 MET HA 1 46 VAL MG1 . . 4.500 3.509 3.379 3.655 . 0 0 "[ . 1 . 2]" 1
429 1 43 MET HA 1 46 VAL MG2 . . 3.500 3.066 2.916 3.279 . 0 0 "[ . 1 . 2]" 1
430 1 43 MET QB 1 46 VAL MG1 . . 4.500 4.512 4.442 4.527 0.027 13 0 "[ . 1 . 2]" 1
431 1 43 MET QB 1 46 VAL MG2 . . 5.500 4.711 4.552 4.887 . 0 0 "[ . 1 . 2]" 1
432 1 43 MET QG 1 46 VAL MG1 . . 5.500 4.661 3.811 5.151 . 0 0 "[ . 1 . 2]" 1
433 1 43 MET QG 1 46 VAL MG2 . . 5.500 4.558 4.060 4.961 . 0 0 "[ . 1 . 2]" 1
434 1 43 MET ME 1 46 VAL HB . . 4.500 3.347 3.006 3.619 . 0 0 "[ . 1 . 2]" 1
435 1 43 MET ME 1 46 VAL H . . 4.500 4.411 4.199 4.524 0.024 1 0 "[ . 1 . 2]" 1
436 1 43 MET ME 1 46 VAL MG1 . . 4.500 3.349 2.875 3.709 . 0 0 "[ . 1 . 2]" 1
437 1 43 MET ME 1 46 VAL MG2 . . 3.500 2.521 2.255 2.709 . 0 0 "[ . 1 . 2]" 1
438 1 43 MET HA 1 47 LEU H . . 5.500 3.773 3.646 3.898 . 0 0 "[ . 1 . 2]" 1
439 1 43 MET ME 1 63 HIS HD2 . . 4.500 3.458 2.389 4.499 . 0 0 "[ . 1 . 2]" 1
440 1 43 MET QB 2 17 LEU MD1 . . 5.500 5.278 4.549 5.521 0.021 19 0 "[ . 1 . 2]" 1
441 1 43 MET QG 2 17 LEU MD1 . . 5.500 4.099 2.937 5.078 . 0 0 "[ . 1 . 2]" 1
442 1 43 MET QG 2 17 LEU MD2 . . 5.500 3.647 3.058 4.469 . 0 0 "[ . 1 . 2]" 1
443 1 43 MET ME 2 17 LEU QB . . 5.500 3.853 3.495 4.949 . 0 0 "[ . 1 . 2]" 1
444 1 43 MET ME 2 17 LEU HG . . 4.500 4.324 3.265 4.537 0.037 5 0 "[ . 1 . 2]" 1
445 1 43 MET ME 2 17 LEU MD1 . . 3.500 2.383 2.050 2.979 . 0 0 "[ . 1 . 2]" 1
446 1 43 MET ME 2 17 LEU MD2 . . 3.500 2.372 2.071 3.368 . 0 0 "[ . 1 . 2]" 1
447 1 44 LYS H 1 44 LYS HB2 . . 3.500 2.430 2.325 2.521 . 0 0 "[ . 1 . 2]" 1
448 1 44 LYS HA 1 45 ASN H . . 4.500 3.554 3.534 3.566 . 0 0 "[ . 1 . 2]" 1
449 1 44 LYS HB2 1 45 ASN H . . 3.500 2.764 2.617 2.894 . 0 0 "[ . 1 . 2]" 1
450 1 44 LYS HB3 1 45 ASN H . . 4.500 3.513 3.379 3.632 . 0 0 "[ . 1 . 2]" 1
451 1 44 LYS QG 1 45 ASN H . . 4.500 4.303 4.193 4.389 . 0 0 "[ . 1 . 2]" 1
452 1 44 LYS H 1 45 ASN H . . 3.500 2.763 2.715 2.809 . 0 0 "[ . 1 . 2]" 1
453 1 44 LYS HA 1 47 LEU HB2 . . 4.500 3.194 3.002 3.372 . 0 0 "[ . 1 . 2]" 1
454 1 44 LYS HA 1 47 LEU HG . . 4.500 3.836 3.728 3.968 . 0 0 "[ . 1 . 2]" 1
455 1 44 LYS HA 1 47 LEU H . . 4.500 3.444 3.295 3.641 . 0 0 "[ . 1 . 2]" 1
456 1 44 LYS HA 1 47 LEU MD1 . . 4.500 3.716 3.450 3.944 . 0 0 "[ . 1 . 2]" 1
457 1 44 LYS HA 1 47 LEU MD2 . . 5.500 4.865 4.813 4.957 . 0 0 "[ . 1 . 2]" 1
458 1 44 LYS QG 1 47 LEU MD1 . . 4.500 4.307 4.016 4.527 0.027 18 0 "[ . 1 . 2]" 1
459 1 44 LYS QG 1 47 LEU MD2 . . 5.500 5.564 5.524 5.609 0.109 19 0 "[ . 1 . 2]" 1
460 1 45 ASN HA 1 45 ASN HB3 . . 2.700 2.604 2.453 2.640 . 0 0 "[ . 1 . 2]" 1
461 1 45 ASN H 1 45 ASN HB2 . . 3.500 2.361 2.308 2.661 . 0 0 "[ . 1 . 2]" 1
462 1 45 ASN HA 1 46 VAL MG2 . . 5.500 5.104 4.998 5.170 . 0 0 "[ . 1 . 2]" 1
463 1 45 ASN HB2 1 46 VAL H . . 4.500 2.661 2.385 2.715 . 0 0 "[ . 1 . 2]" 1
464 1 45 ASN HB2 1 46 VAL MG2 . . 4.500 3.535 3.006 3.664 . 0 0 "[ . 1 . 2]" 1
465 1 45 ASN HB3 1 46 VAL H . . 4.500 3.327 3.239 3.527 . 0 0 "[ . 1 . 2]" 1
466 1 45 ASN HB3 1 46 VAL MG2 . . 5.500 3.969 3.821 4.139 . 0 0 "[ . 1 . 2]" 1
467 1 45 ASN H 1 46 VAL H . . 2.700 2.706 2.669 2.752 0.052 20 0 "[ . 1 . 2]" 1
468 1 45 ASN H 1 46 VAL MG2 . . 5.500 4.399 4.261 4.552 . 0 0 "[ . 1 . 2]" 1
469 1 45 ASN HA 1 48 ASN QD . . 4.500 4.036 3.795 4.307 . 0 0 "[ . 1 . 2]" 1
470 1 45 ASN HA 1 48 ASN QB . . 3.500 2.811 2.617 2.965 . 0 0 "[ . 1 . 2]" 1
471 1 46 VAL HA 1 46 VAL MG1 . . 3.500 2.583 2.529 2.642 . 0 0 "[ . 1 . 2]" 1
472 1 46 VAL HA 1 46 VAL MG2 . . 2.700 2.303 2.266 2.348 . 0 0 "[ . 1 . 2]" 1
473 1 46 VAL H 1 46 VAL HB . . 3.500 2.363 2.291 2.450 . 0 0 "[ . 1 . 2]" 1
474 1 46 VAL H 1 46 VAL MG2 . . 2.700 2.290 2.189 2.396 . 0 0 "[ . 1 . 2]" 1
475 1 46 VAL HB 1 47 LEU H . . 3.500 2.576 2.432 2.721 . 0 0 "[ . 1 . 2]" 1
476 1 46 VAL H 1 47 LEU H . . 4.500 2.856 2.808 2.924 . 0 0 "[ . 1 . 2]" 1
477 1 46 VAL MG1 1 47 LEU HA . . 4.500 3.467 3.359 3.609 . 0 0 "[ . 1 . 2]" 1
478 1 46 VAL MG1 1 47 LEU H . . 3.500 3.074 2.839 3.266 . 0 0 "[ . 1 . 2]" 1
479 1 46 VAL MG2 1 47 LEU H . . 4.500 3.976 3.892 4.077 . 0 0 "[ . 1 . 2]" 1
480 1 46 VAL HA 1 49 HIS HB2 . . 4.500 4.006 3.735 4.324 . 0 0 "[ . 1 . 2]" 1
481 1 46 VAL HA 1 49 HIS HB3 . . 4.500 2.798 2.528 3.040 . 0 0 "[ . 1 . 2]" 1
482 1 46 VAL HA 1 49 HIS HD2 . . 5.500 4.465 4.049 4.767 . 0 0 "[ . 1 . 2]" 1
483 1 46 VAL HA 1 49 HIS H . . 4.500 3.662 3.515 3.898 . 0 0 "[ . 1 . 2]" 1
484 1 46 VAL MG1 1 50 MET QB . . 5.500 3.635 3.220 4.227 . 0 0 "[ . 1 . 2]" 1
485 1 46 VAL MG1 1 50 MET H . . 5.500 4.007 3.884 4.096 . 0 0 "[ . 1 . 2]" 1
486 1 46 VAL MG1 1 50 MET ME . . 4.500 3.139 2.591 3.805 . 0 0 "[ . 1 . 2]" 1
487 1 46 VAL MG2 1 61 VAL MG1 . . 4.500 3.349 2.698 3.821 . 0 0 "[ . 1 . 2]" 1
488 1 46 VAL MG2 1 62 ALA MB . . 5.500 5.515 5.408 5.555 0.055 7 0 "[ . 1 . 2]" 1
489 1 46 VAL MG1 1 63 HIS HA . . 4.500 3.876 3.620 4.107 . 0 0 "[ . 1 . 2]" 1
490 1 46 VAL MG1 1 63 HIS HB3 . . 3.500 2.262 2.129 2.437 . 0 0 "[ . 1 . 2]" 1
491 1 46 VAL MG2 1 63 HIS HA . . 4.500 4.270 4.030 4.514 0.014 20 0 "[ . 1 . 2]" 1
492 1 46 VAL MG2 1 63 HIS HB2 . . 3.500 2.258 2.122 2.438 . 0 0 "[ . 1 . 2]" 1
493 1 46 VAL MG2 1 63 HIS HB3 . . 3.500 2.264 2.056 2.584 . 0 0 "[ . 1 . 2]" 1
494 1 46 VAL MG2 1 63 HIS HD2 . . 5.500 3.523 2.482 4.445 . 0 0 "[ . 1 . 2]" 1
495 1 46 VAL MG1 1 64 CYS HA . . 3.500 2.940 2.551 3.492 . 0 0 "[ . 1 . 2]" 1
496 1 46 VAL MG1 1 64 CYS H . . 5.500 3.685 3.466 3.958 . 0 0 "[ . 1 . 2]" 1
497 1 46 VAL MG2 1 64 CYS HA . . 5.500 4.628 4.173 5.076 . 0 0 "[ . 1 . 2]" 1
498 1 46 VAL MG1 1 67 SER HB2 . . 4.500 3.303 2.910 3.895 . 0 0 "[ . 1 . 2]" 1
499 1 46 VAL MG1 1 67 SER HB3 . . 4.500 2.683 2.336 3.171 . 0 0 "[ . 1 . 2]" 1
500 1 47 LEU HA 1 47 LEU HB2 . . 2.700 2.448 2.425 2.475 . 0 0 "[ . 1 . 2]" 1
501 1 47 LEU H 1 47 LEU HB3 . . 3.500 2.482 2.415 2.579 . 0 0 "[ . 1 . 2]" 1
502 1 47 LEU HA 1 48 ASN H . . 4.500 3.564 3.506 3.599 . 0 0 "[ . 1 . 2]" 1
503 1 47 LEU HB2 1 48 ASN H . . 4.500 3.793 3.735 3.860 . 0 0 "[ . 1 . 2]" 1
504 1 47 LEU HB3 1 48 ASN H . . 4.500 2.452 2.355 2.533 . 0 0 "[ . 1 . 2]" 1
505 1 47 LEU HG 1 48 ASN H . . 5.500 4.666 4.496 4.832 . 0 0 "[ . 1 . 2]" 1
506 1 47 LEU H 1 48 ASN H . . 4.500 2.955 2.827 3.089 . 0 0 "[ . 1 . 2]" 1
507 1 47 LEU MD1 1 48 ASN HA . . 5.500 2.977 2.842 3.186 . 0 0 "[ . 1 . 2]" 1
508 1 47 LEU MD1 1 48 ASN H . . 4.500 3.077 2.874 3.329 . 0 0 "[ . 1 . 2]" 1
509 1 47 LEU MD2 1 48 ASN H . . 5.500 4.254 4.175 4.319 . 0 0 "[ . 1 . 2]" 1
510 1 47 LEU HA 1 50 MET QB . . 4.500 2.652 2.301 4.117 . 0 0 "[ . 1 . 2]" 1
511 1 47 LEU HA 1 50 MET H . . 4.500 3.647 3.567 3.730 . 0 0 "[ . 1 . 2]" 1
512 1 47 LEU H 1 50 MET QG . . 5.500 5.205 4.041 5.578 0.078 9 0 "[ . 1 . 2]" 1
513 1 47 LEU H 1 50 MET ME . . 5.500 4.295 3.904 4.803 . 0 0 "[ . 1 . 2]" 1
514 1 47 LEU MD1 1 50 MET QB . . 5.500 4.426 4.191 5.628 0.128 16 0 "[ . 1 . 2]" 1
515 1 47 LEU MD1 1 50 MET ME . . 4.500 4.082 3.795 4.332 . 0 0 "[ . 1 . 2]" 1
516 1 47 LEU MD2 1 50 MET QB . . 4.500 3.188 2.959 4.545 0.045 18 0 "[ . 1 . 2]" 1
517 1 47 LEU MD2 1 50 MET QG . . 5.500 4.325 2.666 4.725 . 0 0 "[ . 1 . 2]" 1
518 1 47 LEU MD2 1 50 MET ME . . 2.700 2.098 1.891 2.325 . 0 0 "[ . 1 . 2]" 1
519 1 47 LEU MD1 1 51 THR HB . . 5.500 5.392 4.968 5.528 0.028 2 0 "[ . 1 . 2]" 1
520 1 47 LEU MD1 1 51 THR MG . . 4.500 3.208 2.668 3.638 . 0 0 "[ . 1 . 2]" 1
521 1 47 LEU MD2 1 51 THR MG . . 4.500 3.115 2.814 3.523 . 0 0 "[ . 1 . 2]" 1
522 1 47 LEU HA 2 44 LEU MD2 . . 4.500 4.549 4.503 4.589 0.089 8 0 "[ . 1 . 2]" 1
523 1 47 LEU HB2 2 44 LEU MD2 . . 5.500 4.989 4.914 5.071 . 0 0 "[ . 1 . 2]" 1
524 1 47 LEU HG 2 44 LEU MD2 . . 4.500 3.642 3.478 3.764 . 0 0 "[ . 1 . 2]" 1
525 1 47 LEU MD1 2 44 LEU HA . . 5.500 4.592 4.488 4.787 . 0 0 "[ . 1 . 2]" 1
526 1 47 LEU MD1 2 44 LEU MD1 . . 4.500 3.212 3.086 3.334 . 0 0 "[ . 1 . 2]" 1
527 1 47 LEU MD1 2 44 LEU MD2 . . 3.500 2.120 1.994 2.264 . 0 0 "[ . 1 . 2]" 1
528 1 47 LEU MD2 2 44 LEU HA . . 5.500 3.728 3.587 3.869 . 0 0 "[ . 1 . 2]" 1
529 1 47 LEU MD2 2 44 LEU MD1 . . 5.500 4.015 3.975 4.118 . 0 0 "[ . 1 . 2]" 1
530 1 47 LEU MD2 2 44 LEU MD2 . . 4.500 2.073 2.019 2.144 . 0 0 "[ . 1 . 2]" 1
531 1 47 LEU HB2 2 47 LEU MD1 . . 5.500 3.995 3.838 4.154 . 0 0 "[ . 1 . 2]" 1
532 1 47 LEU HG 2 47 LEU MD1 . . 5.500 2.989 2.834 3.140 . 0 0 "[ . 1 . 2]" 1
533 1 47 LEU MD1 2 47 LEU HG . . 5.500 5.558 5.517 5.587 0.087 4 0 "[ . 1 . 2]" 1
534 1 47 LEU MD1 2 47 LEU MD1 . . 4.500 3.340 3.271 3.419 . 0 0 "[ . 1 . 2]" 1
535 1 47 LEU MD2 2 47 LEU HG . . 4.500 3.688 3.629 3.737 . 0 0 "[ . 1 . 2]" 1
536 1 47 LEU MD2 2 47 LEU MD1 . . 4.500 1.872 1.848 1.912 . 0 0 "[ . 1 . 2]" 1
537 1 48 ASN HA 1 48 ASN QB . . 2.700 2.371 2.338 2.391 . 0 0 "[ . 1 . 2]" 1
538 1 48 ASN H 1 48 ASN QB . . 2.700 2.235 2.211 2.263 . 0 0 "[ . 1 . 2]" 1
539 1 48 ASN H 1 49 HIS H . . 3.500 2.871 2.775 2.992 . 0 0 "[ . 1 . 2]" 1
540 1 48 ASN QB 1 49 HIS HB3 . . 4.500 4.570 4.545 4.601 0.101 4 0 "[ . 1 . 2]" 1
541 1 48 ASN QB 1 49 HIS H . . 2.700 2.479 2.343 2.601 . 0 0 "[ . 1 . 2]" 1
542 1 48 ASN H 1 50 MET ME . . 5.500 5.377 5.130 5.609 0.109 4 0 "[ . 1 . 2]" 1
543 1 48 ASN HA 1 51 THR HB . . 5.500 5.345 4.841 5.553 0.053 10 0 "[ . 1 . 2]" 1
544 1 48 ASN HA 1 51 THR H . . 5.500 3.997 3.820 4.202 . 0 0 "[ . 1 . 2]" 1
545 1 48 ASN HA 1 51 THR MG . . 5.500 4.191 3.924 4.562 . 0 0 "[ . 1 . 2]" 1
546 1 48 ASN HA 2 44 LEU MD1 . . 5.500 5.257 5.074 5.482 . 0 0 "[ . 1 . 2]" 1
547 1 49 HIS HA 1 49 HIS HB2 . . 2.700 2.402 2.377 2.420 . 0 0 "[ . 1 . 2]" 1
548 1 49 HIS H 1 49 HIS HB2 . . 2.700 2.637 2.560 2.708 0.008 13 0 "[ . 1 . 2]" 1
549 1 49 HIS H 1 49 HIS HB3 . . 2.700 2.383 2.296 2.460 . 0 0 "[ . 1 . 2]" 1
550 1 49 HIS HA 1 50 MET H . . 5.500 3.586 3.556 3.650 . 0 0 "[ . 1 . 2]" 1
551 1 49 HIS HB2 1 50 MET H . . 4.500 3.958 3.899 4.005 . 0 0 "[ . 1 . 2]" 1
552 1 49 HIS HB3 1 50 MET H . . 4.500 2.608 2.535 2.690 . 0 0 "[ . 1 . 2]" 1
553 1 49 HIS HD2 1 50 MET HA . . 4.500 3.155 2.988 3.306 . 0 0 "[ . 1 . 2]" 1
554 1 49 HIS HD2 1 50 MET H . . 4.500 3.265 3.089 3.441 . 0 0 "[ . 1 . 2]" 1
555 1 49 HIS H 1 50 MET H . . 3.500 2.783 2.597 2.943 . 0 0 "[ . 1 . 2]" 1
556 1 49 HIS HA 1 52 HIS HB2 . . 4.500 3.142 2.810 3.363 . 0 0 "[ . 1 . 2]" 1
557 1 49 HIS HE1 1 53 CYS HA . . 4.500 4.575 4.525 4.604 0.104 10 0 "[ . 1 . 2]" 1
558 1 49 HIS HD2 1 61 VAL MG1 . . 4.500 4.340 3.917 4.513 0.013 13 0 "[ . 1 . 2]" 1
559 1 49 HIS HD2 1 61 VAL MG2 . . 5.500 4.612 4.117 4.940 . 0 0 "[ . 1 . 2]" 1
560 1 49 HIS HE1 1 61 VAL MG2 . . 4.500 4.272 3.884 4.531 0.031 10 0 "[ . 1 . 2]" 1
561 1 49 HIS HD2 1 64 CYS HA . . 5.500 3.754 3.475 4.122 . 0 0 "[ . 1 . 2]" 1
562 1 49 HIS HD2 1 64 CYS HB2 . . 4.500 2.730 2.398 3.336 . 0 0 "[ . 1 . 2]" 1
563 1 49 HIS HD2 1 64 CYS HB3 . . 5.500 4.138 3.902 4.533 . 0 0 "[ . 1 . 2]" 1
564 1 50 MET HA 1 51 THR H . . 5.500 3.599 3.521 3.632 . 0 0 "[ . 1 . 2]" 1
565 1 50 MET QB 1 51 THR H . . 4.500 2.670 2.304 3.822 . 0 0 "[ . 1 . 2]" 1
566 1 50 MET QG 1 51 THR H . . 5.500 4.201 2.756 4.404 . 0 0 "[ . 1 . 2]" 1
567 1 50 MET H 1 51 THR H . . 3.500 3.115 2.997 3.200 . 0 0 "[ . 1 . 2]" 1
568 1 50 MET ME 1 51 THR HA . . 5.500 5.308 4.952 5.501 0.001 5 0 "[ . 1 . 2]" 1
569 1 50 MET ME 1 51 THR H . . 5.500 4.358 4.044 4.895 . 0 0 "[ . 1 . 2]" 1
570 1 50 MET ME 1 51 THR MG . . 4.500 4.028 3.547 4.511 0.011 19 0 "[ . 1 . 2]" 1
571 1 50 MET HA 1 53 CYS HB2 . . 4.500 4.026 3.181 4.551 0.051 11 0 "[ . 1 . 2]" 1
572 1 50 MET HA 1 53 CYS HB3 . . 4.500 2.765 2.163 2.981 . 0 0 "[ . 1 . 2]" 1
573 1 50 MET HA 1 53 CYS H . . 4.500 3.825 3.385 4.000 . 0 0 "[ . 1 . 2]" 1
574 1 50 MET QB 1 64 CYS HA . . 5.500 4.431 2.934 4.979 . 0 0 "[ . 1 . 2]" 1
575 1 50 MET QG 1 64 CYS HA . . 4.500 2.954 2.618 4.500 . 0 0 "[ . 1 . 2]" 1
576 1 50 MET ME 1 64 CYS HA . . 5.500 4.912 4.327 5.553 0.053 18 0 "[ . 1 . 2]" 1
577 1 50 MET ME 1 67 SER HB2 . . 4.500 2.400 2.130 2.749 . 0 0 "[ . 1 . 2]" 1
578 1 50 MET ME 1 67 SER HB3 . . 4.500 3.655 3.303 4.155 . 0 0 "[ . 1 . 2]" 1
579 1 50 MET ME 1 67 SER H . . 5.500 5.229 4.886 5.529 0.029 1 0 "[ . 1 . 2]" 1
580 1 50 MET ME 1 68 ARG H . . 4.500 4.489 4.336 4.578 0.078 19 0 "[ . 1 . 2]" 1
581 1 50 MET HA 2 43 LEU MD1 . . 5.500 3.883 3.703 4.138 . 0 0 "[ . 1 . 2]" 1
582 1 50 MET QB 2 43 LEU MD1 . . 4.500 2.109 1.947 2.729 . 0 0 "[ . 1 . 2]" 1
583 1 50 MET QB 2 43 LEU MD2 . . 3.500 3.376 2.869 3.595 0.095 18 0 "[ . 1 . 2]" 1
584 1 50 MET QG 2 43 LEU MD1 . . 4.500 3.022 2.081 3.523 . 0 0 "[ . 1 . 2]" 1
585 1 50 MET QG 2 43 LEU MD2 . . 3.500 3.546 3.426 3.603 0.103 20 0 "[ . 1 . 2]" 1
586 1 50 MET ME 2 43 LEU HG . . 5.500 4.611 4.000 4.988 . 0 0 "[ . 1 . 2]" 1
587 1 50 MET ME 2 43 LEU MD1 . . 2.700 2.476 2.023 2.712 0.012 9 0 "[ . 1 . 2]" 1
588 1 50 MET ME 2 43 LEU MD2 . . 3.500 2.313 1.925 2.700 . 0 0 "[ . 1 . 2]" 1
589 1 50 MET ME 2 44 LEU MD2 . . 4.500 3.852 3.532 4.177 . 0 0 "[ . 1 . 2]" 1
590 1 50 MET ME 2 47 LEU MD1 . . 4.500 3.038 2.719 3.356 . 0 0 "[ . 1 . 2]" 1
591 1 50 MET ME 2 47 LEU MD2 . . 3.500 3.507 3.296 3.607 0.107 19 0 "[ . 1 . 2]" 1
592 1 51 THR HA 1 52 HIS H . . 5.500 3.532 3.513 3.565 . 0 0 "[ . 1 . 2]" 1
593 1 51 THR HB 1 52 HIS HD2 . . 5.500 5.347 3.840 5.545 0.045 6 0 "[ . 1 . 2]" 1
594 1 51 THR HB 1 52 HIS H . . 4.500 3.379 3.164 3.678 . 0 0 "[ . 1 . 2]" 1
595 1 51 THR H 1 52 HIS H . . 3.500 2.731 2.525 2.829 . 0 0 "[ . 1 . 2]" 1
596 1 51 THR MG 1 52 HIS H . . 5.500 4.083 3.912 4.285 . 0 0 "[ . 1 . 2]" 1
597 1 51 THR HB 2 40 GLY HA2 . . 4.500 3.466 2.960 3.942 . 0 0 "[ . 1 . 2]" 1
598 1 51 THR MG 2 40 GLY HA2 . . 3.500 2.915 2.491 3.133 . 0 0 "[ . 1 . 2]" 1
599 1 51 THR HA 2 41 GLU HA . . 5.500 5.482 5.227 5.556 0.056 1 0 "[ . 1 . 2]" 1
600 1 51 THR HB 2 41 GLU HA . . 5.500 5.046 4.703 5.439 . 0 0 "[ . 1 . 2]" 1
601 1 51 THR MG 2 41 GLU HA . . 3.500 3.404 2.941 3.541 0.041 8 0 "[ . 1 . 2]" 1
602 1 51 THR MG 2 41 GLU QB . . 5.500 4.708 4.192 4.927 . 0 0 "[ . 1 . 2]" 1
603 1 51 THR MG 2 41 GLU QG . . 5.500 4.786 4.189 5.483 . 0 0 "[ . 1 . 2]" 1
604 1 51 THR HA 2 43 LEU MD1 . . 3.500 2.349 2.212 2.530 . 0 0 "[ . 1 . 2]" 1
605 1 51 THR MG 2 43 LEU HG . . 5.500 4.288 4.150 4.502 . 0 0 "[ . 1 . 2]" 1
606 1 51 THR MG 2 43 LEU MD1 . . 3.500 2.380 2.236 2.560 . 0 0 "[ . 1 . 2]" 1
607 1 51 THR MG 2 43 LEU MD2 . . 4.500 4.410 4.279 4.507 0.007 9 0 "[ . 1 . 2]" 1
608 1 51 THR HA 2 44 LEU HG . . 5.500 5.225 4.932 5.365 . 0 0 "[ . 1 . 2]" 1
609 1 51 THR HA 2 44 LEU MD2 . . 5.500 4.735 4.591 4.863 . 0 0 "[ . 1 . 2]" 1
610 1 51 THR HB 2 44 LEU HG . . 5.500 4.756 4.544 5.096 . 0 0 "[ . 1 . 2]" 1
611 1 51 THR HB 2 44 LEU MD1 . . 4.500 4.258 4.110 4.379 . 0 0 "[ . 1 . 2]" 1
612 1 51 THR HB 2 44 LEU MD2 . . 5.500 4.501 4.406 4.601 . 0 0 "[ . 1 . 2]" 1
613 1 51 THR MG 2 44 LEU HA . . 5.500 4.811 4.658 4.939 . 0 0 "[ . 1 . 2]" 1
614 1 51 THR MG 2 44 LEU HB2 . . 5.500 4.347 4.068 4.496 . 0 0 "[ . 1 . 2]" 1
615 1 51 THR MG 2 44 LEU HB3 . . 5.500 4.707 4.518 4.824 . 0 0 "[ . 1 . 2]" 1
616 1 51 THR MG 2 44 LEU HG . . 4.500 2.426 2.202 2.550 . 0 0 "[ . 1 . 2]" 1
617 1 51 THR MG 2 44 LEU MD1 . . 3.500 2.299 2.182 2.394 . 0 0 "[ . 1 . 2]" 1
618 1 51 THR MG 2 44 LEU MD2 . . 3.500 2.133 2.060 2.227 . 0 0 "[ . 1 . 2]" 1
619 1 52 HIS H 1 52 HIS HB2 . . 3.500 2.467 2.359 2.582 . 0 0 "[ . 1 . 2]" 1
620 1 52 HIS HA 1 53 CYS HA . . 5.500 4.884 4.831 4.929 . 0 0 "[ . 1 . 2]" 1
621 1 52 HIS HB2 1 53 CYS H . . 4.500 2.612 2.426 2.932 . 0 0 "[ . 1 . 2]" 1
622 1 52 HIS HB3 1 53 CYS H . . 5.500 3.574 3.227 3.838 . 0 0 "[ . 1 . 2]" 1
623 1 52 HIS HA 1 54 GLN QG . . 5.500 4.606 4.426 4.853 . 0 0 "[ . 1 . 2]" 1
624 1 53 CYS HA 1 53 CYS HB2 . . 2.700 2.411 2.366 2.555 . 0 0 "[ . 1 . 2]" 1
625 1 53 CYS H 1 53 CYS HB2 . . 2.700 2.430 2.209 2.571 . 0 0 "[ . 1 . 2]" 1
626 1 53 CYS H 1 53 CYS HB3 . . 2.700 2.368 2.260 2.640 . 0 0 "[ . 1 . 2]" 1
627 1 53 CYS HA 1 54 GLN HA . . 5.500 4.541 4.510 4.568 . 0 0 "[ . 1 . 2]" 1
628 1 53 CYS HA 1 54 GLN H . . 2.700 2.173 2.122 2.237 . 0 0 "[ . 1 . 2]" 1
629 1 54 GLN HB2 1 55 ALA HA . . 4.500 4.533 4.480 4.612 0.112 7 0 "[ . 1 . 2]" 1
630 1 54 GLN HB2 1 55 ALA H . . 3.500 3.562 3.274 3.804 0.304 3 0 "[ . 1 . 2]" 1
631 1 54 GLN HB2 1 55 ALA MB . . 4.500 4.500 4.284 4.550 0.050 16 0 "[ . 1 . 2]" 1
632 1 54 GLN HB3 1 55 ALA HA . . 5.500 4.778 4.680 4.881 . 0 0 "[ . 1 . 2]" 1
633 1 54 GLN HB3 1 55 ALA H . . 4.500 4.296 4.116 4.443 . 0 0 "[ . 1 . 2]" 1
634 1 54 GLN H 1 55 ALA H . . 2.700 2.060 1.865 2.651 . 0 0 "[ . 1 . 2]" 1
635 1 54 GLN H 1 55 ALA MB . . 5.500 3.599 3.465 4.195 . 0 0 "[ . 1 . 2]" 1
636 1 55 ALA HA 1 56 GLY H . . 4.500 3.468 2.348 3.616 . 0 0 "[ . 1 . 2]" 1
637 1 55 ALA H 1 56 GLY H . . 4.500 2.918 2.632 4.546 0.046 7 0 "[ . 1 . 2]" 1
638 1 55 ALA MB 1 56 GLY H . . 4.500 2.433 2.080 2.779 . 0 0 "[ . 1 . 2]" 1
639 1 55 ALA HA 1 59 CYS QB . . 5.500 4.742 4.549 5.274 . 0 0 "[ . 1 . 2]" 1
640 1 55 ALA H 1 59 CYS QB . . 5.500 4.046 3.885 4.513 . 0 0 "[ . 1 . 2]" 1
641 1 55 ALA MB 1 59 CYS HA . . 4.500 3.096 2.670 3.739 . 0 0 "[ . 1 . 2]" 1
642 1 55 ALA MB 1 59 CYS H . . 3.500 2.800 2.605 3.264 . 0 0 "[ . 1 . 2]" 1
643 1 55 ALA MB 1 59 CYS QB . . 2.700 2.172 2.097 2.406 . 0 0 "[ . 1 . 2]" 1
644 1 56 GLY QA 1 57 LYS H . . 4.500 2.235 2.114 2.442 . 0 0 "[ . 1 . 2]" 1
645 1 56 GLY QA 1 57 LYS QD . . 4.500 4.437 3.446 4.565 0.065 8 0 "[ . 1 . 2]" 1
646 1 56 GLY QA 1 57 LYS QG . . 4.500 3.809 3.620 4.449 . 0 0 "[ . 1 . 2]" 1
647 1 56 GLY H 1 57 LYS H . . 5.500 4.088 3.412 4.442 . 0 0 "[ . 1 . 2]" 1
648 1 56 GLY QA 1 58 ALA H . . 4.500 3.994 3.485 4.356 . 0 0 "[ . 1 . 2]" 1
649 1 56 GLY QA 2 37 LEU MD1 . . 4.500 2.293 2.053 2.730 . 0 0 "[ . 1 . 2]" 1
650 1 56 GLY QA 2 37 LEU MD2 . . 5.500 4.185 3.102 5.036 . 0 0 "[ . 1 . 2]" 1
651 1 57 LYS HA 1 58 ALA H . . 4.500 3.512 3.402 3.539 . 0 0 "[ . 1 . 2]" 1
652 1 57 LYS H 1 58 ALA H . . 3.500 2.723 2.566 3.053 . 0 0 "[ . 1 . 2]" 1
653 1 57 LYS QB 1 58 ALA H . . 3.500 2.487 2.239 3.057 . 0 0 "[ . 1 . 2]" 1
654 1 57 LYS HA 2 22 SER QB . . 5.500 3.326 2.423 4.038 . 0 0 "[ . 1 . 2]" 1
655 1 57 LYS QD 2 22 SER HA . . 5.500 4.873 3.973 5.511 0.011 9 0 "[ . 1 . 2]" 1
656 1 57 LYS QD 2 22 SER QB . . 4.500 2.660 2.214 3.640 . 0 0 "[ . 1 . 2]" 1
657 1 57 LYS QE 2 22 SER QB . . 4.500 3.713 2.355 4.553 0.053 9 0 "[ . 1 . 2]" 1
658 1 57 LYS QG 2 22 SER QB . . 5.500 4.303 1.935 4.980 . 0 0 "[ . 1 . 2]" 1
659 1 57 LYS HA 2 37 LEU HG . . 5.500 5.445 4.871 5.628 0.128 12 0 "[ . 1 . 2]" 1
660 1 57 LYS HA 2 37 LEU MD1 . . 3.500 3.123 2.872 3.504 0.004 12 0 "[ . 1 . 2]" 1
661 1 57 LYS QB 2 37 LEU MD1 . . 4.500 3.722 3.561 4.078 . 0 0 "[ . 1 . 2]" 1
662 1 57 LYS QD 2 37 LEU HG . . 3.500 3.179 2.162 3.555 0.055 10 0 "[ . 1 . 2]" 1
663 1 57 LYS QD 2 37 LEU MD1 . . 2.700 2.193 2.078 2.460 . 0 0 "[ . 1 . 2]" 1
664 1 57 LYS QD 2 37 LEU MD2 . . 3.500 3.154 2.368 3.538 0.038 3 0 "[ . 1 . 2]" 1
665 1 57 LYS QG 2 37 LEU MD1 . . 4.500 2.264 2.079 2.972 . 0 0 "[ . 1 . 2]" 1
666 1 58 ALA HA 1 59 CYS H . . 3.500 3.483 3.160 3.564 0.064 9 0 "[ . 1 . 2]" 1
667 1 58 ALA H 1 59 CYS HA . . 5.500 5.187 4.617 5.521 0.021 9 0 "[ . 1 . 2]" 1
668 1 58 ALA H 1 59 CYS H . . 2.700 2.722 2.448 3.033 0.333 9 0 "[ . 1 . 2]" 1
669 1 58 ALA H 1 59 CYS QB . . 5.500 4.383 3.945 4.790 . 0 0 "[ . 1 . 2]" 1
670 1 58 ALA MB 1 59 CYS H . . 3.500 3.145 2.816 3.542 0.042 2 0 "[ . 1 . 2]" 1
671 1 58 ALA MB 1 59 CYS QB . . 5.500 4.257 4.000 4.676 . 0 0 "[ . 1 . 2]" 1
672 1 59 CYS HA 1 59 CYS HB2 . . 2.700 2.579 2.543 2.606 . 0 0 "[ . 1 . 2]" 1
673 1 59 CYS HA 1 59 CYS QB . . 2.700 2.445 2.420 2.463 . 0 0 "[ . 1 . 2]" 1
674 1 59 CYS H 1 59 CYS HB2 . . 2.700 2.330 2.273 2.388 . 0 0 "[ . 1 . 2]" 1
675 1 59 CYS H 1 59 CYS HB3 . . 2.700 2.716 2.672 2.734 0.034 17 0 "[ . 1 . 2]" 1
676 1 59 CYS H 1 59 CYS QB . . 2.700 2.203 2.163 2.246 . 0 0 "[ . 1 . 2]" 1
677 1 59 CYS HA 1 60 GLN H . . 2.700 2.107 2.094 2.163 . 0 0 "[ . 1 . 2]" 1
678 1 59 CYS H 1 60 GLN H . . 4.500 4.519 4.457 4.572 0.072 2 0 "[ . 1 . 2]" 1
679 1 59 CYS QB 1 60 GLN H . . 4.500 3.731 3.516 3.863 . 0 0 "[ . 1 . 2]" 1
680 1 60 GLN HA 1 60 GLN HB3 . . 2.700 2.485 2.469 2.491 . 0 0 "[ . 1 . 2]" 1
681 1 60 GLN H 1 60 GLN HB2 . . 2.700 2.506 2.484 2.528 . 0 0 "[ . 1 . 2]" 1
682 1 60 GLN HA 1 61 VAL H . . 3.500 3.495 3.461 3.521 0.021 2 0 "[ . 1 . 2]" 1
683 1 60 GLN HB2 1 61 VAL H . . 4.500 2.990 2.696 3.152 . 0 0 "[ . 1 . 2]" 1
684 1 60 GLN HB2 1 61 VAL MG2 . . 5.500 3.472 3.188 3.672 . 0 0 "[ . 1 . 2]" 1
685 1 60 GLN HB3 1 61 VAL H . . 4.500 3.897 3.663 4.061 . 0 0 "[ . 1 . 2]" 1
686 1 60 GLN QG 1 61 VAL H . . 4.500 4.251 4.126 4.349 . 0 0 "[ . 1 . 2]" 1
687 1 60 GLN H 1 61 VAL H . . 4.500 2.715 2.632 2.808 . 0 0 "[ . 1 . 2]" 1
688 1 60 GLN H 1 61 VAL MG2 . . 5.500 3.942 3.785 4.112 . 0 0 "[ . 1 . 2]" 1
689 1 61 VAL HA 1 61 VAL MG1 . . 2.700 2.402 2.382 2.444 . 0 0 "[ . 1 . 2]" 1
690 1 61 VAL HA 1 61 VAL MG2 . . 2.700 2.418 2.396 2.439 . 0 0 "[ . 1 . 2]" 1
691 1 61 VAL H 1 61 VAL HB . . 2.700 2.554 2.503 2.588 . 0 0 "[ . 1 . 2]" 1
692 1 61 VAL H 1 61 VAL MG2 . . 2.700 2.137 2.095 2.207 . 0 0 "[ . 1 . 2]" 1
693 1 61 VAL HA 1 62 ALA H . . 3.500 2.121 2.096 2.186 . 0 0 "[ . 1 . 2]" 1
694 1 61 VAL HB 1 62 ALA H . . 4.500 4.324 4.269 4.385 . 0 0 "[ . 1 . 2]" 1
695 1 61 VAL H 1 62 ALA H . . 5.500 4.487 4.430 4.574 . 0 0 "[ . 1 . 2]" 1
696 1 61 VAL MG1 1 62 ALA HA . . 5.500 4.464 4.367 4.552 . 0 0 "[ . 1 . 2]" 1
697 1 61 VAL MG1 1 62 ALA H . . 3.500 2.970 2.831 3.098 . 0 0 "[ . 1 . 2]" 1
698 1 61 VAL MG1 1 62 ALA MB . . 4.500 3.658 3.532 3.870 . 0 0 "[ . 1 . 2]" 1
699 1 61 VAL MG2 1 62 ALA H . . 4.500 4.130 4.067 4.236 . 0 0 "[ . 1 . 2]" 1
700 1 61 VAL MG2 1 62 ALA MB . . 5.500 5.185 5.110 5.335 . 0 0 "[ . 1 . 2]" 1
701 1 61 VAL HB 1 64 CYS H . . 4.500 3.100 2.897 3.305 . 0 0 "[ . 1 . 2]" 1
702 1 61 VAL MG1 1 64 CYS HA . . 4.500 4.198 4.039 4.465 . 0 0 "[ . 1 . 2]" 1
703 1 61 VAL MG1 1 64 CYS HB2 . . 4.500 2.809 2.523 3.158 . 0 0 "[ . 1 . 2]" 1
704 1 61 VAL MG1 1 64 CYS HB3 . . 4.500 3.289 2.996 3.728 . 0 0 "[ . 1 . 2]" 1
705 1 61 VAL MG1 1 64 CYS H . . 4.500 2.037 1.917 2.170 . 0 0 "[ . 1 . 2]" 1
706 1 61 VAL MG2 1 64 CYS HB2 . . 4.500 3.746 3.594 3.964 . 0 0 "[ . 1 . 2]" 1
707 1 61 VAL MG2 1 64 CYS HB3 . . 4.500 4.019 3.810 4.500 . 0 0 "[ . 1 . 2]" 1
708 1 62 ALA HA 1 63 HIS H . . 3.500 3.526 3.515 3.544 0.044 6 0 "[ . 1 . 2]" 1
709 1 62 ALA H 1 63 HIS H . . 4.500 2.981 2.858 3.093 . 0 0 "[ . 1 . 2]" 1
710 1 62 ALA MB 1 63 HIS HD2 . . 5.500 4.271 3.516 5.485 . 0 0 "[ . 1 . 2]" 1
711 1 62 ALA MB 1 63 HIS H . . 2.700 2.228 2.114 2.375 . 0 0 "[ . 1 . 2]" 1
712 1 62 ALA HA 2 19 GLN QG . . 5.500 5.376 5.053 5.505 0.005 13 0 "[ . 1 . 2]" 1
713 1 62 ALA MB 2 19 GLN HA . . 4.500 2.548 2.217 2.895 . 0 0 "[ . 1 . 2]" 1
714 1 62 ALA MB 2 19 GLN QB . . 4.500 2.900 2.401 3.556 . 0 0 "[ . 1 . 2]" 1
715 1 62 ALA MB 2 19 GLN QG . . 3.500 2.665 2.332 2.852 . 0 0 "[ . 1 . 2]" 1
716 1 62 ALA MB 2 21 THR MG . . 5.500 3.465 3.001 3.978 . 0 0 "[ . 1 . 2]" 1
717 1 63 HIS HA 1 64 CYS H . . 4.500 3.577 3.508 3.614 . 0 0 "[ . 1 . 2]" 1
718 1 63 HIS HB2 1 64 CYS H . . 4.500 2.751 2.378 3.057 . 0 0 "[ . 1 . 2]" 1
719 1 63 HIS HA 1 66 SER H . . 4.500 3.568 3.216 3.763 . 0 0 "[ . 1 . 2]" 1
720 1 63 HIS HD2 2 17 LEU MD1 . . 5.500 4.517 3.036 5.510 0.010 5 0 "[ . 1 . 2]" 1
721 1 64 CYS HA 1 64 CYS HB2 . . 2.700 2.486 2.452 2.533 . 0 0 "[ . 1 . 2]" 1
722 1 64 CYS H 1 64 CYS HB2 . . 2.700 2.415 2.214 2.535 . 0 0 "[ . 1 . 2]" 1
723 1 64 CYS H 1 64 CYS HB3 . . 2.700 2.496 2.421 2.540 . 0 0 "[ . 1 . 2]" 1
724 1 64 CYS HA 1 65 ALA H . . 4.500 3.573 3.559 3.586 . 0 0 "[ . 1 . 2]" 1
725 1 64 CYS HB2 1 65 ALA H . . 4.500 3.748 3.683 3.820 . 0 0 "[ . 1 . 2]" 1
726 1 64 CYS HB2 1 65 ALA MB . . 5.500 5.234 5.160 5.328 . 0 0 "[ . 1 . 2]" 1
727 1 64 CYS HB3 1 65 ALA H . . 3.500 2.367 2.221 2.496 . 0 0 "[ . 1 . 2]" 1
728 1 64 CYS HB3 1 65 ALA MB . . 5.500 3.843 3.750 3.980 . 0 0 "[ . 1 . 2]" 1
729 1 64 CYS H 1 65 ALA H . . 3.500 2.834 2.757 2.990 . 0 0 "[ . 1 . 2]" 1
730 1 64 CYS H 1 65 ALA MB . . 5.500 4.402 4.311 4.531 . 0 0 "[ . 1 . 2]" 1
731 1 64 CYS H 1 66 SER H . . 5.500 4.296 4.085 4.485 . 0 0 "[ . 1 . 2]" 1
732 1 64 CYS HA 1 67 SER HB2 . . 5.500 4.867 4.692 5.092 . 0 0 "[ . 1 . 2]" 1
733 1 64 CYS HA 1 67 SER HB3 . . 5.500 4.458 4.176 4.705 . 0 0 "[ . 1 . 2]" 1
734 1 64 CYS HA 1 67 SER H . . 5.500 4.032 3.882 4.228 . 0 0 "[ . 1 . 2]" 1
735 1 65 ALA H 1 66 SER H . . 4.500 2.858 2.686 2.992 . 0 0 "[ . 1 . 2]" 1
736 1 65 ALA MB 1 66 SER QB . . 5.500 4.260 3.871 4.554 . 0 0 "[ . 1 . 2]" 1
737 1 65 ALA MB 1 66 SER H . . 2.700 2.405 2.229 2.551 . 0 0 "[ . 1 . 2]" 1
738 1 65 ALA HA 1 68 ARG QB . . 5.500 3.803 3.072 4.297 . 0 0 "[ . 1 . 2]" 1
739 1 65 ALA HA 1 68 ARG QG . . 4.500 4.388 4.125 4.542 0.042 4 0 "[ . 1 . 2]" 1
740 1 65 ALA HA 1 68 ARG H . . 5.500 4.372 4.034 4.606 . 0 0 "[ . 1 . 2]" 1
741 1 65 ALA H 1 68 ARG H . . 5.500 5.332 5.028 5.565 0.065 15 0 "[ . 1 . 2]" 1
742 1 65 ALA MB 2 21 THR MG . . 5.500 3.925 3.390 5.073 . 0 0 "[ . 1 . 2]" 1
743 1 65 ALA MB 2 22 SER QB . . 3.500 2.383 2.105 3.508 0.008 10 0 "[ . 1 . 2]" 1
744 1 65 ALA HA 2 37 LEU MD1 . . 4.500 3.694 2.744 4.567 0.067 13 0 "[ . 1 . 2]" 1
745 1 66 SER HA 1 67 SER H . . 5.500 3.587 3.552 3.613 . 0 0 "[ . 1 . 2]" 1
746 1 66 SER H 1 67 SER H . . 4.500 2.919 2.796 3.029 . 0 0 "[ . 1 . 2]" 1
747 1 66 SER HA 1 69 GLN QB . . 4.500 3.107 2.627 3.755 . 0 0 "[ . 1 . 2]" 1
748 1 66 SER HA 1 69 GLN QG . . 4.500 4.334 4.035 4.554 0.054 9 0 "[ . 1 . 2]" 1
749 1 66 SER QB 1 70 ILE MD . . 4.500 3.954 3.638 4.261 . 0 0 "[ . 1 . 2]" 1
750 1 66 SER QB 2 20 LEU MD1 . . 5.500 3.210 2.935 3.491 . 0 0 "[ . 1 . 2]" 1
751 1 66 SER HA 2 22 SER HA . . 4.500 3.342 2.774 4.331 . 0 0 "[ . 1 . 2]" 1
752 1 66 SER HA 2 25 CYS HB2 . . 5.500 3.439 3.230 3.794 . 0 0 "[ . 1 . 2]" 1
753 1 66 SER HA 2 25 CYS HB3 . . 5.500 4.151 3.708 4.476 . 0 0 "[ . 1 . 2]" 1
754 1 67 SER H 1 67 SER HB3 . . 3.500 2.624 2.492 2.711 . 0 0 "[ . 1 . 2]" 1
755 1 67 SER HA 1 68 ARG H . . 5.500 3.544 3.477 3.590 . 0 0 "[ . 1 . 2]" 1
756 1 67 SER HB2 1 68 ARG H . . 4.500 3.684 3.473 3.848 . 0 0 "[ . 1 . 2]" 1
757 1 67 SER HB3 1 68 ARG QG . . 5.500 5.273 4.848 5.535 0.035 19 0 "[ . 1 . 2]" 1
758 1 67 SER HB3 1 68 ARG H . . 4.500 4.110 3.929 4.287 . 0 0 "[ . 1 . 2]" 1
759 1 67 SER H 1 68 ARG H . . 3.500 2.984 2.900 3.059 . 0 0 "[ . 1 . 2]" 1
760 1 67 SER HA 1 70 ILE HB . . 4.500 4.589 4.542 4.645 0.145 19 0 "[ . 1 . 2]" 1
761 1 67 SER HA 1 70 ILE H . . 4.500 3.559 3.444 3.706 . 0 0 "[ . 1 . 2]" 1
762 1 67 SER HA 1 70 ILE MD . . 3.500 2.150 2.064 2.251 . 0 0 "[ . 1 . 2]" 1
763 1 67 SER HA 1 70 ILE MG . . 4.500 4.271 4.057 4.517 0.017 10 0 "[ . 1 . 2]" 1
764 1 67 SER HB2 1 70 ILE MD . . 4.500 3.595 3.311 3.860 . 0 0 "[ . 1 . 2]" 1
765 1 67 SER HB3 1 70 ILE MD . . 4.500 3.290 2.923 3.506 . 0 0 "[ . 1 . 2]" 1
766 1 68 ARG QB 1 69 GLN H . . 4.500 2.566 2.365 2.937 . 0 0 "[ . 1 . 2]" 1
767 1 68 ARG H 1 69 GLN H . . 4.500 2.782 2.633 2.927 . 0 0 "[ . 1 . 2]" 1
768 1 68 ARG HA 2 37 LEU MD2 . . 5.500 4.330 4.074 4.797 . 0 0 "[ . 1 . 2]" 1
769 1 68 ARG HA 2 43 LEU HG . . 5.500 5.336 4.965 5.580 0.080 12 0 "[ . 1 . 2]" 1
770 1 68 ARG HA 2 43 LEU MD2 . . 3.500 2.740 2.386 2.975 . 0 0 "[ . 1 . 2]" 1
771 1 68 ARG QB 2 43 LEU MD2 . . 4.500 3.814 3.403 4.157 . 0 0 "[ . 1 . 2]" 1
772 1 68 ARG QG 2 43 LEU MD1 . . 3.500 3.231 2.754 3.517 0.017 15 0 "[ . 1 . 2]" 1
773 1 69 GLN HA 1 70 ILE H . . 4.500 3.622 3.604 3.644 . 0 0 "[ . 1 . 2]" 1
774 1 69 GLN HB2 1 70 ILE H . . 3.500 3.218 2.510 3.553 0.053 8 0 "[ . 1 . 2]" 1
775 1 69 GLN HB3 1 70 ILE H . . 3.500 2.707 2.369 3.460 . 0 0 "[ . 1 . 2]" 1
776 1 69 GLN QE 1 70 ILE MD . . 5.500 5.452 5.230 5.515 0.015 6 0 "[ . 1 . 2]" 1
777 1 69 GLN H 1 70 ILE H . . 4.500 2.944 2.693 3.070 . 0 0 "[ . 1 . 2]" 1
778 1 69 GLN H 1 70 ILE MG . . 5.500 5.311 4.957 5.515 0.015 6 0 "[ . 1 . 2]" 1
779 1 69 GLN HA 1 72 SER QB . . 4.500 2.542 2.258 2.779 . 0 0 "[ . 1 . 2]" 1
780 1 69 GLN QG 2 22 SER HA . . 4.500 3.203 2.725 3.832 . 0 0 "[ . 1 . 2]" 1
781 1 69 GLN HA 2 25 CYS HB3 . . 5.500 5.097 4.954 5.276 . 0 0 "[ . 1 . 2]" 1
782 1 69 GLN HB3 2 25 CYS HB2 . . 3.500 3.007 2.521 3.514 0.014 19 0 "[ . 1 . 2]" 1
783 1 69 GLN HB3 2 25 CYS HB3 . . 2.700 2.558 2.419 2.711 0.011 9 0 "[ . 1 . 2]" 1
784 1 69 GLN QG 2 25 CYS HA . . 4.500 4.479 4.353 4.538 0.038 12 0 "[ . 1 . 2]" 1
785 1 69 GLN QG 2 25 CYS HB2 . . 3.500 2.228 2.129 2.326 . 0 0 "[ . 1 . 2]" 1
786 1 69 GLN QG 2 25 CYS HB3 . . 3.500 2.828 2.580 3.004 . 0 0 "[ . 1 . 2]" 1
787 1 69 GLN QB 2 26 GLU HA . . 5.500 4.752 3.958 5.199 . 0 0 "[ . 1 . 2]" 1
788 1 69 GLN QG 2 26 GLU QG . . 5.500 2.083 1.968 2.266 . 0 0 "[ . 1 . 2]" 1
789 1 69 GLN HA 2 31 ILE MD . . 4.500 2.934 2.270 3.286 . 0 0 "[ . 1 . 2]" 1
790 1 69 GLN HA 2 37 LEU MD2 . . 3.500 2.828 2.322 3.598 0.098 12 0 "[ . 1 . 2]" 1
791 1 70 ILE HA 1 71 ILE H . . 5.500 3.557 3.533 3.583 . 0 0 "[ . 1 . 2]" 1
792 1 70 ILE HB 1 71 ILE H . . 4.500 3.369 3.233 3.463 . 0 0 "[ . 1 . 2]" 1
793 1 70 ILE H 1 71 ILE H . . 4.500 2.946 2.919 2.970 . 0 0 "[ . 1 . 2]" 1
794 1 70 ILE MG 1 71 ILE HA . . 5.500 5.346 5.274 5.415 . 0 0 "[ . 1 . 2]" 1
795 1 70 ILE MG 1 71 ILE H . . 4.500 4.284 4.224 4.357 . 0 0 "[ . 1 . 2]" 1
796 1 70 ILE HA 1 73 HIS HB3 . . 5.500 2.993 2.637 3.186 . 0 0 "[ . 1 . 2]" 1
797 1 70 ILE HA 1 73 HIS H . . 4.500 3.597 3.453 3.811 . 0 0 "[ . 1 . 2]" 1
798 1 70 ILE MG 2 29 ALA MB . . 5.500 3.979 3.603 4.253 . 0 0 "[ . 1 . 2]" 1
799 1 13 LEU MD2 1 71 ILE MD . . 5.500 3.233 2.626 3.560 . 0 0 "[ . 1 . 2]" 1
800 1 17 LEU MD2 1 71 ILE MD . . 5.500 3.020 2.346 4.044 . 0 0 "[ . 1 . 2]" 1
801 1 68 ARG HA 1 71 ILE MG . . 5.500 4.704 4.554 4.910 . 0 0 "[ . 1 . 2]" 1
802 1 71 ILE HA 1 71 ILE MD . . 4.500 2.098 2.076 2.125 . 0 0 "[ . 1 . 2]" 1
803 1 71 ILE HA 1 71 ILE MG . . 3.500 2.417 2.397 2.443 . 0 0 "[ . 1 . 2]" 1
804 1 71 ILE H 1 71 ILE HB . . 3.500 2.536 2.466 2.582 . 0 0 "[ . 1 . 2]" 1
805 1 71 ILE H 1 71 ILE MD . . 3.500 3.042 2.940 3.142 . 0 0 "[ . 1 . 2]" 1
806 1 71 ILE HA 1 72 SER H . . 5.500 3.552 3.512 3.603 . 0 0 "[ . 1 . 2]" 1
807 1 71 ILE HB 1 72 SER H . . 4.500 2.850 2.736 2.985 . 0 0 "[ . 1 . 2]" 1
808 1 71 ILE H 1 72 SER H . . 4.500 2.618 2.520 2.715 . 0 0 "[ . 1 . 2]" 1
809 1 71 ILE MG 1 72 SER H . . 4.500 3.622 3.500 3.763 . 0 0 "[ . 1 . 2]" 1
810 1 71 ILE H 1 73 HIS H . . 4.500 4.240 4.133 4.385 . 0 0 "[ . 1 . 2]" 1
811 1 71 ILE HA 1 74 TRP HB3 . . 4.500 2.870 2.593 3.135 . 0 0 "[ . 1 . 2]" 1
812 1 71 ILE HA 1 74 TRP H . . 4.500 3.405 3.291 3.583 . 0 0 "[ . 1 . 2]" 1
813 1 71 ILE MG 1 75 LYS QG . . 5.500 4.474 4.027 4.977 . 0 0 "[ . 1 . 2]" 1
814 1 71 ILE MG 2 38 LEU MD1 . . 4.500 2.940 2.431 3.386 . 0 0 "[ . 1 . 2]" 1
815 1 71 ILE MG 2 38 LEU MD2 . . 5.500 3.631 3.280 3.897 . 0 0 "[ . 1 . 2]" 1
816 1 71 ILE MG 2 43 LEU HA . . 5.500 2.567 2.357 2.786 . 0 0 "[ . 1 . 2]" 1
817 1 71 ILE MG 2 43 LEU QB . . 5.500 3.711 3.417 3.955 . 0 0 "[ . 1 . 2]" 1
818 1 71 ILE MG 2 43 LEU HG . . 5.500 4.553 4.323 4.852 . 0 0 "[ . 1 . 2]" 1
819 1 71 ILE MG 2 43 LEU MD2 . . 3.500 2.656 2.388 2.867 . 0 0 "[ . 1 . 2]" 1
820 1 71 ILE HA 2 46 ALA MB . . 5.500 4.338 4.171 4.492 . 0 0 "[ . 1 . 2]" 1
821 1 71 ILE MG 2 46 ALA MB . . 3.500 2.066 1.972 2.135 . 0 0 "[ . 1 . 2]" 1
822 1 71 ILE HB 2 47 LEU MD2 . . 5.500 4.344 4.098 4.639 . 0 0 "[ . 1 . 2]" 1
823 1 71 ILE MD 2 47 LEU MD2 . . 3.500 1.933 1.897 1.972 . 0 0 "[ . 1 . 2]" 1
824 1 71 ILE MG 2 47 LEU MD2 . . 4.500 2.841 2.665 3.101 . 0 0 "[ . 1 . 2]" 1
825 1 72 SER H 1 72 SER QB . . 3.500 2.631 2.548 2.710 . 0 0 "[ . 1 . 2]" 1
826 1 72 SER HA 1 73 HIS H . . 4.500 3.589 3.569 3.614 . 0 0 "[ . 1 . 2]" 1
827 1 72 SER H 1 73 HIS H . . 4.500 2.832 2.758 2.890 . 0 0 "[ . 1 . 2]" 1
828 1 72 SER HA 2 31 ILE MD . . 4.500 4.363 4.204 4.482 . 0 0 "[ . 1 . 2]" 1
829 1 72 SER HA 2 31 ILE MG . . 4.500 4.048 3.832 4.507 0.007 6 0 "[ . 1 . 2]" 1
830 1 72 SER QB 2 31 ILE MD . . 4.500 2.069 1.970 2.165 . 0 0 "[ . 1 . 2]" 1
831 1 72 SER HA 2 38 LEU HG . . 5.500 3.417 2.982 4.135 . 0 0 "[ . 1 . 2]" 1
832 1 72 SER HA 2 38 LEU MD1 . . 5.500 4.712 4.324 5.255 . 0 0 "[ . 1 . 2]" 1
833 1 72 SER HA 2 38 LEU MD2 . . 5.500 3.111 2.618 3.621 . 0 0 "[ . 1 . 2]" 1
834 1 73 HIS HA 1 73 HIS HB2 . . 2.700 2.465 2.333 2.497 . 0 0 "[ . 1 . 2]" 1
835 1 73 HIS H 1 73 HIS HB2 . . 2.700 2.537 2.460 2.752 0.052 5 0 "[ . 1 . 2]" 1
836 1 73 HIS H 1 73 HIS HB3 . . 2.700 2.590 2.294 2.684 . 0 0 "[ . 1 . 2]" 1
837 1 73 HIS HA 1 74 TRP H . . 4.500 3.645 3.619 3.663 . 0 0 "[ . 1 . 2]" 1
838 1 73 HIS HB3 1 74 TRP H . . 4.500 2.349 2.281 2.577 . 0 0 "[ . 1 . 2]" 1
839 1 73 HIS HD2 1 74 TRP HA . . 4.500 2.834 2.566 4.444 . 0 0 "[ . 1 . 2]" 1
840 1 73 HIS HD2 1 74 TRP H . . 5.500 3.392 3.066 4.573 . 0 0 "[ . 1 . 2]" 1
841 1 73 HIS HA 1 76 ASN HB2 . . 5.500 3.111 2.675 3.481 . 0 0 "[ . 1 . 2]" 1
842 1 73 HIS HA 2 31 ILE HA . . 3.500 2.576 2.388 2.984 . 0 0 "[ . 1 . 2]" 1
843 1 73 HIS HA 2 31 ILE HB . . 5.500 4.735 4.583 4.906 . 0 0 "[ . 1 . 2]" 1
844 1 73 HIS HA 2 31 ILE QG . . 2.700 2.613 2.485 2.742 0.042 15 0 "[ . 1 . 2]" 1
845 1 73 HIS HA 2 31 ILE MD . . 4.500 4.294 4.191 4.429 . 0 0 "[ . 1 . 2]" 1
846 1 73 HIS HA 2 31 ILE MG . . 3.500 2.492 2.237 3.025 . 0 0 "[ . 1 . 2]" 1
847 1 73 HIS HB2 2 31 ILE MD . . 4.500 4.247 3.986 4.414 . 0 0 "[ . 1 . 2]" 1
848 1 73 HIS HB2 2 31 ILE MG . . 4.500 4.174 3.890 4.509 0.009 6 0 "[ . 1 . 2]" 1
849 1 73 HIS HB3 2 31 ILE MD . . 5.500 5.410 4.963 5.542 0.042 18 0 "[ . 1 . 2]" 1
850 1 73 HIS HB3 2 31 ILE MG . . 5.500 5.070 4.816 5.431 . 0 0 "[ . 1 . 2]" 1
851 1 74 TRP H 1 74 TRP HB2 . . 2.700 2.401 2.316 2.499 . 0 0 "[ . 1 . 2]" 1
852 1 74 TRP H 1 74 TRP HB3 . . 3.500 2.759 2.675 2.819 . 0 0 "[ . 1 . 2]" 1
853 1 74 TRP H 1 75 LYS H . . 3.500 3.026 2.948 3.104 . 0 0 "[ . 1 . 2]" 1
854 1 74 TRP HA 1 77 CYS HB2 . . 5.500 3.614 3.157 3.935 . 0 0 "[ . 1 . 2]" 1
855 1 74 TRP HA 1 77 CYS HB3 . . 5.500 2.891 2.763 3.011 . 0 0 "[ . 1 . 2]" 1
856 1 74 TRP HA 1 77 CYS H . . 5.500 3.716 3.546 3.866 . 0 0 "[ . 1 . 2]" 1
857 1 74 TRP HD1 1 85 CYS HA . . 4.500 2.263 2.064 2.559 . 0 0 "[ . 1 . 2]" 1
858 1 74 TRP HE1 1 85 CYS HA . . 5.500 2.222 1.915 2.517 . 0 0 "[ . 1 . 2]" 1
859 1 74 TRP HD1 1 88 LEU MD1 . . 3.500 3.501 3.389 3.544 0.044 6 0 "[ . 1 . 2]" 1
860 1 74 TRP HH2 1 88 LEU HA . . 5.500 5.600 5.515 5.650 0.150 11 0 "[ . 1 . 2]" 1
861 1 74 TRP HH2 1 88 LEU HB2 . . 5.500 5.208 4.871 5.366 . 0 0 "[ . 1 . 2]" 1
862 1 74 TRP HH2 1 88 LEU HB3 . . 4.500 3.778 3.640 3.869 . 0 0 "[ . 1 . 2]" 1
863 1 74 TRP HH2 1 88 LEU MD2 . . 5.500 4.366 3.848 4.803 . 0 0 "[ . 1 . 2]" 1
864 1 74 TRP HH2 2 47 LEU HA . . 5.500 5.276 4.786 5.519 0.019 20 0 "[ . 1 . 2]" 1
865 1 74 TRP HH2 2 49 GLN QG . . 5.500 2.402 2.148 2.661 . 0 0 "[ . 1 . 2]" 1
866 1 74 TRP HZ2 2 49 GLN QG . . 4.500 3.822 3.445 4.271 . 0 0 "[ . 1 . 2]" 1
867 1 74 TRP HH2 2 50 VAL HA . . 5.500 2.804 2.443 3.265 . 0 0 "[ . 1 . 2]" 1
868 1 74 TRP HH2 2 50 VAL MG1 . . 4.500 3.621 3.475 3.844 . 0 0 "[ . 1 . 2]" 1
869 1 74 TRP HH2 2 50 VAL MG2 . . 4.500 2.144 2.037 2.315 . 0 0 "[ . 1 . 2]" 1
870 1 74 TRP HZ2 2 50 VAL HA . . 4.500 4.361 3.959 4.542 0.042 6 0 "[ . 1 . 2]" 1
871 1 74 TRP HZ2 2 50 VAL MG1 . . 4.500 4.527 4.478 4.565 0.065 5 0 "[ . 1 . 2]" 1
872 1 74 TRP HZ2 2 50 VAL MG2 . . 4.500 3.714 3.405 3.946 . 0 0 "[ . 1 . 2]" 1
873 1 75 LYS HA 1 75 LYS QB . . 2.700 2.404 2.345 2.488 . 0 0 "[ . 1 . 2]" 1
874 1 75 LYS H 1 75 LYS QB . . 2.700 2.244 2.184 2.336 . 0 0 "[ . 1 . 2]" 1
875 1 75 LYS QG 1 76 ASN HA . . 4.500 3.918 3.598 4.490 . 0 0 "[ . 1 . 2]" 1
876 1 75 LYS H 1 76 ASN H . . 4.500 2.791 2.710 2.868 . 0 0 "[ . 1 . 2]" 1
877 1 75 LYS QB 1 76 ASN H . . 4.500 2.538 2.353 2.792 . 0 0 "[ . 1 . 2]" 1
878 1 75 LYS QD 2 38 LEU MD2 . . 3.500 2.620 2.007 3.533 0.033 1 0 "[ . 1 . 2]" 1
879 1 75 LYS QG 2 38 LEU MD2 . . 5.500 3.377 2.131 4.244 . 0 0 "[ . 1 . 2]" 1
880 1 75 LYS QB 2 38 LEU MD2 . . 5.500 3.165 2.814 3.628 . 0 0 "[ . 1 . 2]" 1
881 1 75 LYS QE 2 38 LEU MD2 . . 5.500 3.808 2.299 5.066 . 0 0 "[ . 1 . 2]" 1
882 1 75 LYS HA 2 46 ALA MB . . 4.500 4.083 3.750 4.518 0.018 20 0 "[ . 1 . 2]" 1
883 1 75 LYS QD 2 46 ALA HA . . 5.500 3.813 2.577 4.935 . 0 0 "[ . 1 . 2]" 1
884 1 75 LYS QD 2 46 ALA MB . . 4.500 2.367 2.109 3.951 . 0 0 "[ . 1 . 2]" 1
885 1 75 LYS QG 2 46 ALA MB . . 4.500 3.333 2.714 4.006 . 0 0 "[ . 1 . 2]" 1
886 1 75 LYS QB 2 46 ALA MB . . 4.500 2.715 2.453 3.079 . 0 0 "[ . 1 . 2]" 1
887 1 75 LYS QE 2 46 ALA HA . . 4.500 3.894 2.636 4.534 0.034 4 0 "[ . 1 . 2]" 1
888 1 75 LYS QE 2 46 ALA MB . . 5.500 3.244 2.123 4.002 . 0 0 "[ . 1 . 2]" 1
889 1 76 ASN HA 1 77 CYS H . . 3.500 3.572 3.554 3.585 0.085 7 0 "[ . 1 . 2]" 1
890 1 76 ASN HB2 1 77 CYS H . . 3.500 2.818 2.625 2.988 . 0 0 "[ . 1 . 2]" 1
891 1 76 ASN H 1 77 CYS H . . 2.700 2.684 2.597 2.790 0.090 16 0 "[ . 1 . 2]" 1
892 1 76 ASN HA 1 78 THR MG . . 5.500 4.639 4.022 5.530 0.030 10 0 "[ . 1 . 2]" 1
893 1 76 ASN HA 2 31 ILE MG . . 4.500 4.540 4.439 4.602 0.102 20 0 "[ . 1 . 2]" 1
894 1 76 ASN HB2 2 31 ILE MG . . 4.500 2.199 2.118 2.321 . 0 0 "[ . 1 . 2]" 1
895 1 76 ASN HB3 2 31 ILE MG . . 5.500 2.891 2.769 2.976 . 0 0 "[ . 1 . 2]" 1
896 1 76 ASN HA 2 32 GLN QG . . 5.500 5.309 4.689 5.524 0.024 13 0 "[ . 1 . 2]" 1
897 1 76 ASN HA 2 32 GLN QB . . 5.500 4.271 4.002 4.529 . 0 0 "[ . 1 . 2]" 1
898 1 76 ASN HB2 2 32 GLN QB . . 4.500 3.522 3.101 3.964 . 0 0 "[ . 1 . 2]" 1
899 1 76 ASN HB3 2 32 GLN QG . . 5.500 3.845 2.652 4.328 . 0 0 "[ . 1 . 2]" 1
900 1 76 ASN HB3 2 32 GLN QB . . 4.500 2.452 2.280 2.589 . 0 0 "[ . 1 . 2]" 1
901 1 77 CYS HA 1 77 CYS HB2 . . 2.700 2.518 2.466 2.558 . 0 0 "[ . 1 . 2]" 1
902 1 77 CYS H 1 77 CYS HB2 . . 2.700 2.257 2.187 2.347 . 0 0 "[ . 1 . 2]" 1
903 1 77 CYS H 1 77 CYS HB3 . . 2.700 2.622 2.528 2.705 0.005 6 0 "[ . 1 . 2]" 1
904 1 77 CYS HA 1 78 THR H . . 2.700 2.035 2.003 2.094 . 0 0 "[ . 1 . 2]" 1
905 1 77 CYS HB2 1 78 THR H . . 4.500 4.235 4.137 4.393 . 0 0 "[ . 1 . 2]" 1
906 1 77 CYS HB3 1 78 THR H . . 4.500 4.114 3.928 4.290 . 0 0 "[ . 1 . 2]" 1
907 1 77 CYS HA 2 32 GLN QG . . 4.500 2.401 2.040 2.957 . 0 0 "[ . 1 . 2]" 1
908 1 77 CYS HA 2 32 GLN QB . . 4.500 2.755 2.137 4.271 . 0 0 "[ . 1 . 2]" 1
909 1 79 ARG QG 1 80 HIS HA . . 5.500 4.443 4.299 4.790 . 0 0 "[ . 1 . 2]" 1
910 1 79 ARG QB 1 81 ASP H . . 4.500 3.601 2.934 4.030 . 0 0 "[ . 1 . 2]" 1
911 1 79 ARG QG 1 81 ASP H . . 4.500 1.980 1.724 2.595 . 0 0 "[ . 1 . 2]" 1
912 1 79 ARG QB 1 82 CYS H . . 4.500 3.569 2.551 4.513 0.013 7 0 "[ . 1 . 2]" 1
913 1 79 ARG QG 1 82 CYS H . . 5.500 3.379 2.497 5.110 . 0 0 "[ . 1 . 2]" 1
914 1 79 ARG QB 1 86 LEU H . . 5.500 5.396 4.500 5.538 0.038 5 0 "[ . 1 . 2]" 1
915 1 79 ARG QG 1 86 LEU MD2 . . 5.500 5.494 5.321 5.561 0.061 7 0 "[ . 1 . 2]" 1
916 1 80 HIS HA 1 80 HIS QB . . 2.700 2.319 2.148 2.399 . 0 0 "[ . 1 . 2]" 1
917 1 80 HIS HA 1 81 ASP H . . 5.500 3.456 3.242 3.567 . 0 0 "[ . 1 . 2]" 1
918 1 80 HIS HA 1 86 LEU MD2 . . 4.500 3.525 2.580 4.511 0.011 5 0 "[ . 1 . 2]" 1
919 1 81 ASP HA 1 81 ASP HB2 . . 2.700 2.347 2.256 2.398 . 0 0 "[ . 1 . 2]" 1
920 1 81 ASP HA 1 81 ASP HB3 . . 2.700 2.513 2.450 2.603 . 0 0 "[ . 1 . 2]" 1
921 1 81 ASP HA 1 82 CYS H . . 3.500 2.669 2.088 3.135 . 0 0 "[ . 1 . 2]" 1
922 1 81 ASP HB3 1 82 CYS H . . 5.500 4.522 4.086 4.766 . 0 0 "[ . 1 . 2]" 1
923 1 81 ASP H 1 82 CYS H . . 4.500 3.128 2.195 4.245 . 0 0 "[ . 1 . 2]" 1
924 1 81 ASP HA 1 86 LEU MD1 . . 4.500 3.903 3.684 4.334 . 0 0 "[ . 1 . 2]" 1
925 1 81 ASP HA 1 86 LEU MD2 . . 3.500 3.260 2.540 3.557 0.057 17 0 "[ . 1 . 2]" 1
926 1 81 ASP HB2 1 86 LEU MD1 . . 5.500 4.606 3.621 5.294 . 0 0 "[ . 1 . 2]" 1
927 1 81 ASP HB2 1 86 LEU MD2 . . 5.500 4.830 3.676 5.411 . 0 0 "[ . 1 . 2]" 1
928 1 81 ASP HB3 1 86 LEU MD1 . . 5.500 4.930 3.832 5.514 0.014 12 0 "[ . 1 . 2]" 1
929 1 82 CYS H 1 82 CYS QB . . 2.700 2.298 2.118 2.712 0.012 7 0 "[ . 1 . 2]" 1
930 1 82 CYS HA 1 83 PRO QD . . 2.700 2.159 2.111 2.216 . 0 0 "[ . 1 . 2]" 1
931 1 82 CYS HA 1 83 PRO QG . . 5.500 4.075 4.019 4.138 . 0 0 "[ . 1 . 2]" 1
932 1 82 CYS H 1 83 PRO QD . . 5.500 4.422 4.233 4.494 . 0 0 "[ . 1 . 2]" 1
933 1 82 CYS QB 1 83 PRO QD . . 4.500 3.348 3.277 3.392 . 0 0 "[ . 1 . 2]" 1
934 1 82 CYS QB 1 83 PRO QG . . 4.500 4.558 4.541 4.576 0.076 20 0 "[ . 1 . 2]" 1
935 1 82 CYS H 1 85 CYS HB2 . . 4.500 3.892 3.623 3.970 . 0 0 "[ . 1 . 2]" 1
936 1 82 CYS H 1 85 CYS HB3 . . 5.500 5.514 5.247 5.606 0.106 7 0 "[ . 1 . 2]" 1
937 1 82 CYS H 1 86 LEU MD2 . . 4.500 4.094 3.623 4.384 . 0 0 "[ . 1 . 2]" 1
938 1 83 PRO HB2 1 84 VAL H . . 5.500 3.898 3.495 4.180 . 0 0 "[ . 1 . 2]" 1
939 1 83 PRO HB2 1 84 VAL MG2 . . 4.500 3.126 3.045 3.312 . 0 0 "[ . 1 . 2]" 1
940 1 83 PRO QG 1 84 VAL H . . 4.500 3.105 2.718 3.467 . 0 0 "[ . 1 . 2]" 1
941 1 83 PRO QG 1 84 VAL MG2 . . 2.700 2.608 2.500 2.710 0.010 5 0 "[ . 1 . 2]" 1
942 1 83 PRO HA 1 86 LEU MD1 . . 5.500 5.500 5.417 5.557 0.057 8 0 "[ . 1 . 2]" 1
943 1 83 PRO HA 1 87 PRO QD . . 5.500 3.848 3.618 4.381 . 0 0 "[ . 1 . 2]" 1
944 1 84 VAL HA 1 84 VAL MG1 . . 2.700 2.137 2.120 2.156 . 0 0 "[ . 1 . 2]" 1
945 1 84 VAL HA 1 84 VAL MG2 . . 2.700 2.687 2.601 2.736 0.036 4 0 "[ . 1 . 2]" 1
946 1 84 VAL H 1 84 VAL HB . . 3.500 3.147 3.043 3.250 . 0 0 "[ . 1 . 2]" 1
947 1 84 VAL H 1 84 VAL MG2 . . 2.700 2.559 2.288 2.731 0.031 5 0 "[ . 1 . 2]" 1
948 1 84 VAL HA 1 85 CYS H . . 5.500 3.631 3.610 3.643 . 0 0 "[ . 1 . 2]" 1
949 1 84 VAL HB 1 85 CYS H . . 3.500 2.533 2.451 2.686 . 0 0 "[ . 1 . 2]" 1
950 1 84 VAL H 1 85 CYS H . . 3.500 2.176 2.043 2.316 . 0 0 "[ . 1 . 2]" 1
951 1 84 VAL MG1 1 85 CYS HA . . 4.500 4.204 4.133 4.286 . 0 0 "[ . 1 . 2]" 1
952 1 84 VAL MG1 1 85 CYS H . . 4.500 3.858 3.805 3.946 . 0 0 "[ . 1 . 2]" 1
953 1 84 VAL MG2 1 85 CYS HB2 . . 5.500 5.499 5.442 5.535 0.035 15 0 "[ . 1 . 2]" 1
954 1 84 VAL MG2 1 85 CYS H . . 3.500 3.351 3.293 3.403 . 0 0 "[ . 1 . 2]" 1
955 1 84 VAL HA 1 87 PRO HB2 . . 5.500 4.947 4.683 5.533 0.033 4 0 "[ . 1 . 2]" 1
956 1 84 VAL HA 1 87 PRO QG . . 5.500 2.583 2.395 3.021 . 0 0 "[ . 1 . 2]" 1
957 1 84 VAL MG1 1 87 PRO QG . . 3.500 3.533 3.490 3.574 0.074 4 0 "[ . 1 . 2]" 1
958 1 84 VAL MG2 1 87 PRO QG . . 5.500 4.534 4.358 4.935 . 0 0 "[ . 1 . 2]" 1
959 1 85 CYS HA 1 85 CYS HB3 . . 2.700 2.410 2.379 2.447 . 0 0 "[ . 1 . 2]" 1
960 1 85 CYS H 1 85 CYS HB2 . . 2.700 2.652 2.609 2.705 0.005 5 0 "[ . 1 . 2]" 1
961 1 85 CYS HA 1 86 LEU H . . 5.500 3.581 3.540 3.624 . 0 0 "[ . 1 . 2]" 1
962 1 85 CYS HB2 1 86 LEU MD2 . . 5.500 5.241 5.037 5.367 . 0 0 "[ . 1 . 2]" 1
963 1 85 CYS H 1 86 LEU H . . 4.500 2.973 2.924 3.041 . 0 0 "[ . 1 . 2]" 1
964 1 85 CYS HA 1 88 LEU MD1 . . 3.500 2.854 2.641 3.072 . 0 0 "[ . 1 . 2]" 1
965 1 85 CYS HA 1 88 LEU MD2 . . 5.500 5.214 5.029 5.381 . 0 0 "[ . 1 . 2]" 1
966 1 86 LEU HG 1 87 PRO QD . . 4.500 4.024 3.952 4.186 . 0 0 "[ . 1 . 2]" 1
967 1 86 LEU H 1 87 PRO QD . . 3.500 2.490 2.303 2.758 . 0 0 "[ . 1 . 2]" 1
968 1 86 LEU MD1 1 87 PRO HB2 . . 5.500 4.776 4.673 4.930 . 0 0 "[ . 1 . 2]" 1
969 1 86 LEU MD1 1 87 PRO HB3 . . 4.500 3.653 3.468 3.882 . 0 0 "[ . 1 . 2]" 1
970 1 86 LEU MD1 1 87 PRO QD . . 4.500 2.454 2.359 2.621 . 0 0 "[ . 1 . 2]" 1
971 1 86 LEU MD2 1 87 PRO HA . . 4.500 4.480 4.355 4.536 0.036 16 0 "[ . 1 . 2]" 1
972 1 86 LEU MD2 1 87 PRO QD . . 4.500 4.155 4.113 4.206 . 0 0 "[ . 1 . 2]" 1
973 1 86 LEU MD1 1 89 LYS QB . . 5.500 4.557 4.256 5.567 0.067 20 0 "[ . 1 . 2]" 1
974 1 86 LEU MD1 1 89 LYS QD . . 5.500 5.131 4.609 5.509 0.009 16 0 "[ . 1 . 2]" 1
975 1 86 LEU MD2 1 89 LYS QG . . 4.500 4.253 2.489 4.594 0.094 8 0 "[ . 1 . 2]" 1
976 1 86 LEU MD2 1 90 ASN QD . . 4.500 3.998 3.334 4.531 0.031 10 0 "[ . 1 . 2]" 1
977 1 87 PRO HA 1 87 PRO HB3 . . 2.700 2.251 2.239 2.266 . 0 0 "[ . 1 . 2]" 1
978 1 87 PRO HB2 1 88 LEU MD2 . . 5.500 4.463 3.951 4.721 . 0 0 "[ . 1 . 2]" 1
979 1 87 PRO QD 1 88 LEU H . . 5.500 3.069 3.002 3.140 . 0 0 "[ . 1 . 2]" 1
980 1 87 PRO QG 1 88 LEU HG . . 4.500 3.283 2.845 3.491 . 0 0 "[ . 1 . 2]" 1
981 1 87 PRO QG 1 88 LEU MD2 . . 4.500 4.394 3.950 4.518 0.018 10 0 "[ . 1 . 2]" 1
982 1 87 PRO HA 1 90 ASN QB . . 5.500 3.908 2.460 5.506 0.006 3 0 "[ . 1 . 2]" 1
983 1 88 LEU HA 1 88 LEU HB3 . . 2.700 2.506 2.448 2.541 . 0 0 "[ . 1 . 2]" 1
984 1 88 LEU HB2 1 89 LYS H . . 4.500 2.573 2.227 2.811 . 0 0 "[ . 1 . 2]" 1
985 1 88 LEU HB3 1 89 LYS H . . 4.500 3.441 3.303 3.653 . 0 0 "[ . 1 . 2]" 1
986 1 88 LEU H 1 89 LYS H . . 3.500 2.773 2.522 2.941 . 0 0 "[ . 1 . 2]" 1
987 1 88 LEU HA 1 91 ALA MB . . 4.500 3.798 2.672 4.549 0.049 3 0 "[ . 1 . 2]" 1
988 1 88 LEU MD2 2 4 ALA MB . . 4.500 2.265 2.008 3.013 . 0 0 "[ . 1 . 2]" 1
989 1 88 LEU HA 2 50 VAL MG2 . . 5.500 4.956 4.478 5.409 . 0 0 "[ . 1 . 2]" 1
990 1 88 LEU MD1 2 50 VAL MG1 . . 4.500 4.519 4.436 4.551 0.051 20 0 "[ . 1 . 2]" 1
991 1 88 LEU MD1 2 50 VAL MG2 . . 4.500 3.801 3.474 4.059 . 0 0 "[ . 1 . 2]" 1
992 1 89 LYS HA 1 90 ASN H . . 3.500 3.535 3.498 3.557 0.057 2 0 "[ . 1 . 2]" 1
993 1 89 LYS QG 1 90 ASN H . . 5.500 3.607 2.384 4.261 . 0 0 "[ . 1 . 2]" 1
994 1 89 LYS H 1 90 ASN H . . 3.500 2.756 2.634 2.844 . 0 0 "[ . 1 . 2]" 1
995 1 89 LYS QB 1 90 ASN H . . 4.500 2.460 2.254 3.600 . 0 0 "[ . 1 . 2]" 1
996 1 89 LYS QD 1 90 ASN HA . . 5.500 5.120 2.798 5.670 0.170 8 0 "[ . 1 . 2]" 1
997 1 90 ASN QB 1 91 ALA H . . 5.500 3.325 2.237 4.081 . 0 0 "[ . 1 . 2]" 1
998 1 90 ASN H 1 91 ALA H . . 4.500 3.541 2.748 4.278 . 0 0 "[ . 1 . 2]" 1
999 1 90 ASN QB 1 92 SER H . . 5.500 5.244 4.419 5.598 0.098 11 0 "[ . 1 . 2]" 1
1000 1 91 ALA HA 1 92 SER H . . 4.500 2.852 2.105 3.577 . 0 0 "[ . 1 . 2]" 1
1001 1 91 ALA MB 1 92 SER H . . 4.500 2.886 2.124 3.576 . 0 0 "[ . 1 . 2]" 1
1002 1 91 ALA MB 2 3 LEU QB . . 3.500 2.820 2.114 3.514 0.014 11 0 "[ . 1 . 2]" 1
1003 1 91 ALA MB 2 3 LEU QD . . 2.700 2.376 2.002 2.723 0.023 16 0 "[ . 1 . 2]" 1
1004 1 92 SER HA 1 93 ASP H . . 4.500 2.506 2.113 3.579 . 0 0 "[ . 1 . 2]" 1
1005 1 92 SER HA 1 94 LYS QG . . 5.500 4.903 3.996 5.566 0.066 2 0 "[ . 1 . 2]" 1
1006 1 93 ASP HA 1 93 ASP QB . . 2.700 2.343 2.323 2.362 . 0 0 "[ . 1 . 2]" 1
1007 1 93 ASP HA 1 94 LYS H . . 3.500 2.295 2.101 3.523 0.023 9 0 "[ . 1 . 2]" 1
1008 1 93 ASP QB 1 94 LYS H . . 4.500 3.731 2.730 4.036 . 0 0 "[ . 1 . 2]" 1
1009 1 94 LYS H 1 94 LYS HB2 . . 3.500 2.688 2.401 2.819 . 0 0 "[ . 1 . 2]" 1
1010 1 94 LYS HA 1 95 ARG H . . 3.500 2.304 2.075 3.528 0.028 13 0 "[ . 1 . 2]" 1
1011 1 95 ARG H 1 95 ARG HB2 . . 3.500 2.594 2.305 2.820 . 0 0 "[ . 1 . 2]" 1
1012 2 1 SER HA 2 2 ASP H . . 5.500 2.282 2.162 3.566 . 0 0 "[ . 1 . 2]" 1
1013 2 2 ASP HA 2 3 LEU HA . . 5.500 4.490 4.338 4.670 . 0 0 "[ . 1 . 2]" 1
1014 2 2 ASP QB 2 3 LEU H . . 5.500 3.503 2.381 3.952 . 0 0 "[ . 1 . 2]" 1
1015 2 3 LEU HA 2 3 LEU QB . . 2.700 2.362 2.326 2.468 . 0 0 "[ . 1 . 2]" 1
1016 2 3 LEU H 2 4 ALA MB . . 4.500 3.941 3.170 4.665 0.165 14 0 "[ . 1 . 2]" 1
1017 2 3 LEU MD1 2 4 ALA HA . . 4.500 3.968 2.863 4.596 0.096 14 0 "[ . 1 . 2]" 1
1018 2 3 LEU MD1 2 4 ALA H . . 5.500 3.574 2.314 4.511 . 0 0 "[ . 1 . 2]" 1
1019 2 3 LEU MD2 2 4 ALA MB . . 5.500 4.928 3.663 5.544 0.044 5 0 "[ . 1 . 2]" 1
1020 2 3 LEU H 2 5 CYS H . . 5.500 4.412 2.923 5.565 0.065 7 0 "[ . 1 . 2]" 1
1021 2 3 LEU HA 2 6 ARG H . . 5.500 4.107 3.526 5.623 0.123 11 0 "[ . 1 . 2]" 1
1022 2 3 LEU H 2 6 ARG H . . 5.500 5.006 2.461 5.608 0.108 7 0 "[ . 1 . 2]" 1
1023 2 3 LEU MD1 2 6 ARG QB . . 4.500 3.909 2.869 4.536 0.036 14 0 "[ . 1 . 2]" 1
1024 2 3 LEU MD1 2 6 ARG H . . 5.500 4.443 2.342 5.506 0.006 14 0 "[ . 1 . 2]" 1
1025 2 3 LEU MD1 2 6 ARG QD . . 4.500 3.426 2.343 4.623 0.123 14 0 "[ . 1 . 2]" 1
1026 2 3 LEU MD2 2 6 ARG QD . . 5.500 4.416 2.589 5.534 0.034 6 0 "[ . 1 . 2]" 1
1027 2 4 ALA HA 2 5 CYS H . . 4.500 3.191 2.075 3.615 . 0 0 "[ . 1 . 2]" 1
1028 2 4 ALA H 2 5 CYS HA . . 5.500 5.306 4.050 5.794 0.294 15 0 "[ . 1 . 2]" 1
1029 2 4 ALA H 2 5 CYS H . . 4.500 3.101 2.293 4.355 . 0 0 "[ . 1 . 2]" 1
1030 2 4 ALA MB 2 5 CYS H . . 5.500 2.695 2.013 3.771 . 0 0 "[ . 1 . 2]" 1
1031 2 4 ALA MB 2 5 CYS QB . . 5.500 4.013 3.624 4.359 . 0 0 "[ . 1 . 2]" 1
1032 2 5 CYS HA 2 5 CYS QB . . 2.700 2.354 2.175 2.405 . 0 0 "[ . 1 . 2]" 1
1033 2 5 CYS HA 2 6 ARG H . . 3.500 2.721 2.290 3.476 . 0 0 "[ . 1 . 2]" 1
1034 2 5 CYS H 2 6 ARG H . . 5.500 3.017 2.390 3.644 . 0 0 "[ . 1 . 2]" 1
1035 2 5 CYS QB 2 6 ARG H . . 4.500 3.774 2.151 3.955 . 0 0 "[ . 1 . 2]" 1
1036 2 6 ARG QB 2 7 LEU H . . 4.500 3.105 2.121 4.029 . 0 0 "[ . 1 . 2]" 1
1037 2 6 ARG QD 2 7 LEU H . . 5.500 4.402 2.464 5.487 . 0 0 "[ . 1 . 2]" 1
1038 2 6 ARG QD 2 10 GLN QE . . 4.500 4.473 4.100 4.594 0.094 14 0 "[ . 1 . 2]" 1
1039 2 7 LEU HA 2 8 LEU H . . 3.500 2.393 2.136 3.382 . 0 0 "[ . 1 . 2]" 1
1040 2 7 LEU HA 2 10 GLN QG . . 4.500 4.231 2.038 4.595 0.095 5 0 "[ . 1 . 2]" 1
1041 2 7 LEU HB2 2 10 GLN H . . 4.500 4.323 3.804 4.767 0.267 16 0 "[ . 1 . 2]" 1
1042 2 7 LEU HB2 2 10 GLN QG . . 4.500 2.880 2.253 4.329 . 0 0 "[ . 1 . 2]" 1
1043 2 8 LEU HA 2 9 GLY QA . . 5.500 4.404 3.928 4.650 . 0 0 "[ . 1 . 2]" 1
1044 2 8 LEU HB3 2 9 GLY H . . 4.500 3.561 3.184 4.257 . 0 0 "[ . 1 . 2]" 1
1045 2 8 LEU H 2 9 GLY H . . 5.500 3.084 1.962 4.427 . 0 0 "[ . 1 . 2]" 1
1046 2 8 LEU H 2 9 GLY QA . . 5.500 4.630 3.916 5.155 . 0 0 "[ . 1 . 2]" 1
1047 2 8 LEU HA 2 10 GLN H . . 5.500 3.952 3.211 5.472 . 0 0 "[ . 1 . 2]" 1
1048 2 9 GLY H 2 10 GLN H . . 4.500 2.712 1.843 3.090 . 0 0 "[ . 1 . 2]" 1
1049 2 9 GLY QA 2 10 GLN H . . 4.500 2.742 2.514 2.960 . 0 0 "[ . 1 . 2]" 1
1050 2 9 GLY QA 2 10 GLN QG . . 5.500 4.254 3.788 4.590 . 0 0 "[ . 1 . 2]" 1
1051 2 9 GLY H 2 12 MET H . . 5.500 4.568 3.090 5.612 0.112 20 0 "[ . 1 . 2]" 1
1052 2 9 GLY QA 2 12 MET HB2 . . 5.500 2.230 2.117 2.714 . 0 0 "[ . 1 . 2]" 1
1053 2 9 GLY QA 2 12 MET HB3 . . 5.500 3.734 3.582 4.136 . 0 0 "[ . 1 . 2]" 1
1054 2 9 GLY QA 2 12 MET H . . 4.500 3.425 2.965 3.793 . 0 0 "[ . 1 . 2]" 1
1055 2 9 GLY QA 2 13 ASP HA . . 5.500 5.295 4.902 5.532 0.032 6 0 "[ . 1 . 2]" 1
1056 2 9 GLY QA 2 13 ASP H . . 5.500 3.684 3.432 4.032 . 0 0 "[ . 1 . 2]" 1
1057 2 10 GLN HA 2 10 GLN HB3 . . 2.700 2.562 2.332 2.629 . 0 0 "[ . 1 . 2]" 1
1058 2 10 GLN H 2 10 GLN HB2 . . 3.500 2.448 2.277 2.998 . 0 0 "[ . 1 . 2]" 1
1059 2 10 GLN HA 2 11 SER H . . 4.500 3.490 2.228 3.593 . 0 0 "[ . 1 . 2]" 1
1060 2 10 GLN HB2 2 11 SER H . . 4.500 2.366 2.098 4.418 . 0 0 "[ . 1 . 2]" 1
1061 2 10 GLN HB2 2 11 SER QB . . 4.500 4.071 3.896 4.518 0.018 20 0 "[ . 1 . 2]" 1
1062 2 10 GLN HB3 2 11 SER H . . 3.500 3.114 2.792 4.099 0.599 20 1 "[ . 1 . +]" 1
1063 2 10 GLN HB3 2 11 SER QB . . 4.500 4.555 4.355 4.615 0.115 15 0 "[ . 1 . 2]" 1
1064 2 10 GLN H 2 11 SER H . . 3.500 3.103 2.779 4.086 0.586 20 1 "[ . 1 . +]" 1
1065 2 10 GLN QG 2 11 SER H . . 5.500 4.099 3.987 4.600 . 0 0 "[ . 1 . 2]" 1
1066 2 10 GLN HB2 2 12 MET QG . . 5.500 5.228 3.348 5.594 0.094 4 0 "[ . 1 . 2]" 1
1067 2 10 GLN HA 2 13 ASP H . . 5.500 4.738 4.183 5.541 0.041 8 0 "[ . 1 . 2]" 1
1068 2 10 GLN HA 2 13 ASP QB . . 5.500 4.233 3.430 5.572 0.072 20 0 "[ . 1 . 2]" 1
1069 2 11 SER HA 2 11 SER QB . . 2.700 2.349 2.158 2.416 . 0 0 "[ . 1 . 2]" 1
1070 2 11 SER HA 2 12 MET QG . . 5.500 5.182 4.881 5.445 . 0 0 "[ . 1 . 2]" 1
1071 2 11 SER HA 2 12 MET H . . 4.500 3.468 3.194 3.581 . 0 0 "[ . 1 . 2]" 1
1072 2 11 SER QB 2 12 MET QG . . 4.500 3.734 3.224 4.473 . 0 0 "[ . 1 . 2]" 1
1073 2 11 SER HA 2 13 ASP H . . 4.500 4.062 3.595 4.344 . 0 0 "[ . 1 . 2]" 1
1074 2 11 SER QB 2 13 ASP QB . . 5.500 5.543 5.354 5.612 0.112 19 0 "[ . 1 . 2]" 1
1075 2 11 SER HA 2 14 GLU H . . 5.500 3.427 2.810 3.912 . 0 0 "[ . 1 . 2]" 1
1076 2 11 SER HA 2 14 GLU QG . . 4.500 3.244 2.449 4.296 . 0 0 "[ . 1 . 2]" 1
1077 2 11 SER QB 2 14 GLU QG . . 5.500 4.640 3.522 5.530 0.030 2 0 "[ . 1 . 2]" 1
1078 2 12 MET HA 2 13 ASP H . . 3.500 3.515 3.491 3.536 0.036 9 0 "[ . 1 . 2]" 1
1079 2 12 MET HB2 2 13 ASP H . . 5.500 2.802 2.649 3.032 . 0 0 "[ . 1 . 2]" 1
1080 2 12 MET HB2 2 13 ASP QB . . 4.500 4.229 4.061 4.511 0.011 4 0 "[ . 1 . 2]" 1
1081 2 12 MET HB3 2 13 ASP H . . 4.500 3.782 3.612 3.956 . 0 0 "[ . 1 . 2]" 1
1082 2 12 MET QG 2 13 ASP H . . 5.500 4.104 3.890 4.311 . 0 0 "[ . 1 . 2]" 1
1083 2 12 MET H 2 13 ASP H . . 4.500 2.723 2.388 3.071 . 0 0 "[ . 1 . 2]" 1
1084 2 12 MET HB2 2 16 GLY QA . . 5.500 4.949 4.170 5.512 0.012 2 0 "[ . 1 . 2]" 1
1085 2 12 MET HB3 2 16 GLY QA . . 5.500 3.638 2.717 4.478 . 0 0 "[ . 1 . 2]" 1
1086 2 12 MET ME 2 16 GLY H . . 5.500 5.236 3.880 5.595 0.095 12 0 "[ . 1 . 2]" 1
1087 2 12 MET ME 2 17 LEU HA . . 5.500 4.906 3.441 5.577 0.077 2 0 "[ . 1 . 2]" 1
1088 2 12 MET ME 2 17 LEU MD2 . . 4.500 3.378 2.452 4.450 . 0 0 "[ . 1 . 2]" 1
1089 2 13 ASP HA 2 13 ASP QB . . 2.700 2.370 2.354 2.396 . 0 0 "[ . 1 . 2]" 1
1090 2 13 ASP H 2 13 ASP QB . . 3.500 2.177 2.139 2.220 . 0 0 "[ . 1 . 2]" 1
1091 2 13 ASP HA 2 14 GLU H . . 4.500 3.550 3.531 3.577 . 0 0 "[ . 1 . 2]" 1
1092 2 13 ASP HA 2 14 GLU QG . . 5.500 5.170 4.999 5.335 . 0 0 "[ . 1 . 2]" 1
1093 2 13 ASP H 2 14 GLU HA . . 5.500 5.440 5.256 5.534 0.034 2 0 "[ . 1 . 2]" 1
1094 2 13 ASP H 2 14 GLU H . . 4.500 2.766 2.539 2.936 . 0 0 "[ . 1 . 2]" 1
1095 2 13 ASP QB 2 14 GLU H . . 4.500 2.578 2.380 2.872 . 0 0 "[ . 1 . 2]" 1
1096 2 13 ASP QB 2 14 GLU QG . . 4.500 3.199 2.994 3.402 . 0 0 "[ . 1 . 2]" 1
1097 2 13 ASP HA 2 15 SER H . . 5.500 4.961 4.266 5.496 . 0 0 "[ . 1 . 2]" 1
1098 2 13 ASP QB 2 15 SER H . . 5.500 4.981 4.673 5.411 . 0 0 "[ . 1 . 2]" 1
1099 2 14 GLU HA 2 14 GLU HB3 . . 2.700 2.502 2.449 2.567 . 0 0 "[ . 1 . 2]" 1
1100 2 14 GLU H 2 14 GLU HB2 . . 2.700 2.457 2.343 2.578 . 0 0 "[ . 1 . 2]" 1
1101 2 14 GLU HA 2 15 SER H . . 3.500 3.350 2.191 3.561 0.061 3 0 "[ . 1 . 2]" 1
1102 2 14 GLU HB2 2 15 SER QB . . 5.500 4.233 3.869 5.123 . 0 0 "[ . 1 . 2]" 1
1103 2 14 GLU HB3 2 15 SER QB . . 5.500 4.498 3.759 5.161 . 0 0 "[ . 1 . 2]" 1
1104 2 14 GLU HB3 2 15 SER H . . 4.500 3.452 3.047 4.232 . 0 0 "[ . 1 . 2]" 1
1105 2 14 GLU QG 2 15 SER H . . 4.500 4.071 3.885 4.426 . 0 0 "[ . 1 . 2]" 1
1106 2 14 GLU HA 2 16 GLY H . . 5.500 5.115 4.210 5.572 0.072 20 0 "[ . 1 . 2]" 1
1107 2 14 GLU H 2 16 GLY H . . 5.500 4.175 3.834 4.651 . 0 0 "[ . 1 . 2]" 1
1108 2 15 SER HA 2 16 GLY H . . 4.500 3.481 2.932 3.610 . 0 0 "[ . 1 . 2]" 1
1109 2 15 SER H 2 16 GLY H . . 5.500 2.479 2.020 3.691 . 0 0 "[ . 1 . 2]" 1
1110 2 15 SER HA 2 17 LEU H . . 5.500 5.238 4.665 5.539 0.039 15 0 "[ . 1 . 2]" 1
1111 2 16 GLY H 2 16 GLY QA . . 2.700 2.291 2.206 2.539 . 0 0 "[ . 1 . 2]" 1
1112 2 16 GLY H 2 17 LEU H . . 4.500 4.008 2.650 4.446 . 0 0 "[ . 1 . 2]" 1
1113 2 16 GLY QA 2 17 LEU HG . . 5.500 4.104 3.410 5.650 0.150 19 0 "[ . 1 . 2]" 1
1114 2 16 GLY QA 2 17 LEU H . . 2.700 2.228 2.069 2.514 . 0 0 "[ . 1 . 2]" 1
1115 2 16 GLY QA 2 17 LEU MD2 . . 5.500 4.450 4.006 5.012 . 0 0 "[ . 1 . 2]" 1
1116 2 17 LEU HA 2 18 PRO HD2 . . 2.700 2.298 2.152 2.456 . 0 0 "[ . 1 . 2]" 1
1117 2 17 LEU HA 2 18 PRO HD3 . . 2.700 2.330 2.224 2.459 . 0 0 "[ . 1 . 2]" 1
1118 2 17 LEU HA 2 18 PRO QG . . 4.500 3.998 3.952 4.061 . 0 0 "[ . 1 . 2]" 1
1119 2 17 LEU QB 2 18 PRO QD . . 5.500 3.064 2.580 3.737 . 0 0 "[ . 1 . 2]" 1
1120 2 17 LEU HG 2 18 PRO QD . . 5.500 4.449 3.987 4.674 . 0 0 "[ . 1 . 2]" 1
1121 2 17 LEU H 2 18 PRO QD . . 5.500 4.159 3.851 4.436 . 0 0 "[ . 1 . 2]" 1
1122 2 17 LEU MD1 2 18 PRO QD . . 5.500 4.117 2.100 4.695 . 0 0 "[ . 1 . 2]" 1
1123 2 17 LEU MD2 2 18 PRO QD . . 3.500 2.634 2.038 3.080 . 0 0 "[ . 1 . 2]" 1
1124 2 17 LEU MD2 2 18 PRO QG . . 5.500 4.206 3.517 4.693 . 0 0 "[ . 1 . 2]" 1
1125 2 18 PRO HA 2 19 GLN QG . . 4.500 4.019 3.686 4.271 . 0 0 "[ . 1 . 2]" 1
1126 2 18 PRO HA 2 19 GLN H . . 4.500 2.464 2.375 2.655 . 0 0 "[ . 1 . 2]" 1
1127 2 18 PRO QB 2 19 GLN H . . 4.500 2.296 2.030 2.484 . 0 0 "[ . 1 . 2]" 1
1128 2 18 PRO QG 2 19 GLN H . . 5.500 3.795 3.473 4.008 . 0 0 "[ . 1 . 2]" 1
1129 2 18 PRO QB 2 20 LEU MD1 . . 3.500 3.486 3.349 3.540 0.040 18 0 "[ . 1 . 2]" 1
1130 2 18 PRO QB 2 20 LEU MD2 . . 3.500 3.270 3.130 3.438 . 0 0 "[ . 1 . 2]" 1
1131 2 18 PRO QG 2 20 LEU MD1 . . 4.500 2.439 2.225 2.635 . 0 0 "[ . 1 . 2]" 1
1132 2 18 PRO QG 2 20 LEU MD2 . . 3.500 3.535 3.484 3.574 0.074 17 0 "[ . 1 . 2]" 1
1133 2 19 GLN HA 2 20 LEU H . . 4.500 2.381 2.330 2.459 . 0 0 "[ . 1 . 2]" 1
1134 2 19 GLN HA 2 20 LEU MD1 . . 5.500 5.451 5.269 5.531 0.031 17 0 "[ . 1 . 2]" 1
1135 2 19 GLN HA 2 20 LEU MD2 . . 5.500 5.511 5.435 5.566 0.066 7 0 "[ . 1 . 2]" 1
1136 2 19 GLN QB 2 20 LEU H . . 4.500 3.938 3.924 3.950 . 0 0 "[ . 1 . 2]" 1
1137 2 19 GLN QG 2 20 LEU H . . 5.500 4.301 4.222 4.402 . 0 0 "[ . 1 . 2]" 1
1138 2 19 GLN H 2 20 LEU H . . 5.500 3.196 2.994 3.309 . 0 0 "[ . 1 . 2]" 1
1139 2 19 GLN H 2 20 LEU MD2 . . 5.500 4.571 4.405 4.793 . 0 0 "[ . 1 . 2]" 1
1140 2 19 GLN QB 2 21 THR MG . . 4.500 4.183 3.825 4.392 . 0 0 "[ . 1 . 2]" 1
1141 2 19 GLN QG 2 21 THR MG . . 5.500 5.527 5.519 5.532 0.032 19 0 "[ . 1 . 2]" 1
1142 2 20 LEU QB 2 21 THR H . . 4.500 2.482 2.189 3.582 . 0 0 "[ . 1 . 2]" 1
1143 2 20 LEU HG 2 21 THR H . . 5.500 4.821 4.706 5.219 . 0 0 "[ . 1 . 2]" 1
1144 2 20 LEU MD1 2 21 THR H . . 5.500 4.521 4.276 5.462 . 0 0 "[ . 1 . 2]" 1
1145 2 20 LEU MD2 2 21 THR H . . 4.500 3.410 3.192 4.004 . 0 0 "[ . 1 . 2]" 1
1146 2 20 LEU HA 2 24 ASP HB2 . . 5.500 3.408 3.020 3.579 . 0 0 "[ . 1 . 2]" 1
1147 2 20 LEU HA 2 24 ASP HB3 . . 5.500 3.989 3.655 4.256 . 0 0 "[ . 1 . 2]" 1
1148 2 20 LEU QB 2 24 ASP HB2 . . 4.500 3.341 2.948 3.574 . 0 0 "[ . 1 . 2]" 1
1149 2 20 LEU QB 2 24 ASP HB3 . . 4.500 3.824 3.508 4.278 . 0 0 "[ . 1 . 2]" 1
1150 2 20 LEU MD2 2 24 ASP HA . . 5.500 4.877 4.609 5.177 . 0 0 "[ . 1 . 2]" 1
1151 2 20 LEU MD2 2 24 ASP HB2 . . 4.500 3.249 3.031 3.555 . 0 0 "[ . 1 . 2]" 1
1152 2 20 LEU MD2 2 24 ASP HB3 . . 4.500 2.673 2.357 3.004 . 0 0 "[ . 1 . 2]" 1
1153 2 20 LEU QB 2 25 CYS HB3 . . 5.500 5.126 4.647 5.369 . 0 0 "[ . 1 . 2]" 1
1154 2 20 LEU MD2 2 25 CYS HA . . 4.500 4.274 4.133 4.346 . 0 0 "[ . 1 . 2]" 1
1155 2 20 LEU MD2 2 25 CYS HB3 . . 5.500 5.534 5.508 5.558 0.058 2 0 "[ . 1 . 2]" 1
1156 2 20 LEU MD2 2 25 CYS H . . 4.500 4.304 4.113 4.482 . 0 0 "[ . 1 . 2]" 1
1157 2 21 THR HA 2 22 SER H . . 3.500 2.452 2.407 2.498 . 0 0 "[ . 1 . 2]" 1
1158 2 21 THR HB 2 22 SER QB . . 5.500 4.526 3.939 4.679 . 0 0 "[ . 1 . 2]" 1
1159 2 21 THR H 2 22 SER H . . 4.500 4.460 4.419 4.592 0.092 2 0 "[ . 1 . 2]" 1
1160 2 21 THR MG 2 22 SER H . . 4.500 3.703 3.619 3.772 . 0 0 "[ . 1 . 2]" 1
1161 2 21 THR HA 2 23 TYR H . . 5.500 4.540 4.375 4.644 . 0 0 "[ . 1 . 2]" 1
1162 2 21 THR HB 2 23 TYR QB . . 5.500 3.570 3.354 3.654 . 0 0 "[ . 1 . 2]" 1
1163 2 21 THR HB 2 23 TYR QD . . 5.500 5.425 4.269 5.542 0.042 18 0 "[ . 1 . 2]" 1
1164 2 21 THR MG 2 23 TYR QB . . 5.500 4.132 4.020 4.209 . 0 0 "[ . 1 . 2]" 1
1165 2 21 THR MG 2 23 TYR H . . 4.500 4.487 4.399 4.513 0.013 18 0 "[ . 1 . 2]" 1
1166 2 21 THR MG 2 23 TYR QD . . 5.500 5.174 3.818 5.395 . 0 0 "[ . 1 . 2]" 1
1167 2 21 THR H 2 24 ASP HB2 . . 4.500 2.006 1.826 2.639 . 0 0 "[ . 1 . 2]" 1
1168 2 21 THR H 2 24 ASP HB3 . . 4.500 3.425 3.234 3.944 . 0 0 "[ . 1 . 2]" 1
1169 2 21 THR H 2 24 ASP H . . 5.500 3.472 3.282 3.673 . 0 0 "[ . 1 . 2]" 1
1170 2 21 THR MG 2 24 ASP H . . 5.500 4.144 4.057 4.311 . 0 0 "[ . 1 . 2]" 1
1171 2 22 SER H 2 22 SER QB . . 3.500 2.643 2.584 2.708 . 0 0 "[ . 1 . 2]" 1
1172 2 22 SER HA 2 23 TYR H . . 4.500 3.546 3.529 3.567 . 0 0 "[ . 1 . 2]" 1
1173 2 22 SER H 2 23 TYR QB . . 5.500 4.382 4.254 4.452 . 0 0 "[ . 1 . 2]" 1
1174 2 22 SER H 2 23 TYR H . . 4.500 2.750 2.689 2.805 . 0 0 "[ . 1 . 2]" 1
1175 2 22 SER QB 2 23 TYR H . . 4.500 3.120 2.258 3.438 . 0 0 "[ . 1 . 2]" 1
1176 2 22 SER HA 2 24 ASP H . . 5.500 4.870 4.779 5.037 . 0 0 "[ . 1 . 2]" 1
1177 2 22 SER HA 2 25 CYS HB2 . . 5.500 2.993 2.655 3.223 . 0 0 "[ . 1 . 2]" 1
1178 2 22 SER HA 2 25 CYS HB3 . . 5.500 4.659 4.304 4.895 . 0 0 "[ . 1 . 2]" 1
1179 2 22 SER HA 2 25 CYS H . . 4.500 3.879 3.672 4.078 . 0 0 "[ . 1 . 2]" 1
1180 2 22 SER HA 2 26 GLU QG . . 5.500 3.800 3.489 3.994 . 0 0 "[ . 1 . 2]" 1
1181 2 23 TYR HA 2 24 ASP H . . 5.500 3.622 3.608 3.637 . 0 0 "[ . 1 . 2]" 1
1182 2 23 TYR QB 2 24 ASP H . . 4.500 2.374 2.276 2.625 . 0 0 "[ . 1 . 2]" 1
1183 2 23 TYR QD 2 24 ASP H . . 5.500 2.940 2.795 3.058 . 0 0 "[ . 1 . 2]" 1
1184 2 23 TYR H 2 24 ASP H . . 4.500 3.034 2.948 3.130 . 0 0 "[ . 1 . 2]" 1
1185 2 23 TYR QD 2 24 ASP HA . . 5.500 3.077 2.948 3.946 . 0 0 "[ . 1 . 2]" 1
1186 2 23 TYR QE 2 24 ASP HA . . 5.500 4.233 4.054 4.445 . 0 0 "[ . 1 . 2]" 1
1187 2 23 TYR H 2 25 CYS H . . 5.500 4.495 4.330 4.615 . 0 0 "[ . 1 . 2]" 1
1188 2 23 TYR HA 2 26 GLU HB2 . . 4.500 2.786 2.621 2.966 . 0 0 "[ . 1 . 2]" 1
1189 2 23 TYR HA 2 26 GLU HB3 . . 4.500 4.351 4.146 4.525 0.025 18 0 "[ . 1 . 2]" 1
1190 2 23 TYR HA 2 26 GLU QG . . 4.500 4.183 3.963 4.473 . 0 0 "[ . 1 . 2]" 1
1191 2 23 TYR HA 2 26 GLU H . . 4.500 3.819 3.726 3.977 . 0 0 "[ . 1 . 2]" 1
1192 2 23 TYR H 2 26 GLU H . . 5.500 4.815 4.738 4.920 . 0 0 "[ . 1 . 2]" 1
1193 2 23 TYR HA 2 27 VAL H . . 4.500 3.943 3.804 4.095 . 0 0 "[ . 1 . 2]" 1
1194 2 23 TYR HA 2 27 VAL MG2 . . 5.500 3.571 3.282 3.710 . 0 0 "[ . 1 . 2]" 1
1195 2 23 TYR QD 2 27 VAL MG2 . . 4.500 3.303 2.633 3.376 . 0 0 "[ . 1 . 2]" 1
1196 2 23 TYR QE 2 27 VAL MG1 . . 3.500 3.536 3.520 3.549 0.049 5 0 "[ . 1 . 2]" 1
1197 2 23 TYR QE 2 27 VAL MG2 . . 5.500 2.728 2.242 2.903 . 0 0 "[ . 1 . 2]" 1
1198 2 24 ASP HA 2 24 ASP HB3 . . 2.700 2.605 2.479 2.662 . 0 0 "[ . 1 . 2]" 1
1199 2 24 ASP H 2 24 ASP HB2 . . 3.500 2.401 2.291 2.647 . 0 0 "[ . 1 . 2]" 1
1200 2 24 ASP HA 2 25 CYS H . . 4.500 3.569 3.554 3.583 . 0 0 "[ . 1 . 2]" 1
1201 2 24 ASP HB2 2 25 CYS H . . 4.500 2.577 2.289 2.712 . 0 0 "[ . 1 . 2]" 1
1202 2 24 ASP HB3 2 25 CYS H . . 4.500 3.225 3.058 3.390 . 0 0 "[ . 1 . 2]" 1
1203 2 24 ASP H 2 25 CYS H . . 4.500 2.926 2.851 3.018 . 0 0 "[ . 1 . 2]" 1
1204 2 24 ASP H 2 26 GLU H . . 5.500 4.492 4.406 4.629 . 0 0 "[ . 1 . 2]" 1
1205 2 24 ASP HA 2 27 VAL HB . . 3.500 2.794 2.652 3.173 . 0 0 "[ . 1 . 2]" 1
1206 2 24 ASP HA 2 27 VAL MG1 . . 4.500 3.744 3.599 4.258 . 0 0 "[ . 1 . 2]" 1
1207 2 24 ASP HA 2 27 VAL MG2 . . 4.500 3.773 3.665 4.055 . 0 0 "[ . 1 . 2]" 1
1208 2 24 ASP H 2 27 VAL H . . 5.500 4.893 4.842 4.994 . 0 0 "[ . 1 . 2]" 1
1209 2 25 CYS HA 2 25 CYS HB3 . . 2.700 2.458 2.437 2.504 . 0 0 "[ . 1 . 2]" 1
1210 2 25 CYS HA 2 26 GLU H . . 5.500 3.601 3.591 3.617 . 0 0 "[ . 1 . 2]" 1
1211 2 25 CYS HB2 2 26 GLU H . . 4.500 2.612 2.373 2.704 . 0 0 "[ . 1 . 2]" 1
1212 2 25 CYS HB3 2 26 GLU H . . 4.500 3.587 3.422 3.670 . 0 0 "[ . 1 . 2]" 1
1213 2 25 CYS H 2 26 GLU HB2 . . 5.500 4.839 4.754 4.967 . 0 0 "[ . 1 . 2]" 1
1214 2 25 CYS H 2 26 GLU H . . 4.500 2.858 2.811 2.951 . 0 0 "[ . 1 . 2]" 1
1215 2 25 CYS HA 2 27 VAL H . . 5.500 4.553 4.312 4.704 . 0 0 "[ . 1 . 2]" 1
1216 2 25 CYS H 2 27 VAL MG2 . . 5.500 5.532 5.516 5.570 0.070 2 0 "[ . 1 . 2]" 1
1217 2 25 CYS HA 2 28 ASN HB2 . . 5.500 3.050 2.664 3.527 . 0 0 "[ . 1 . 2]" 1
1218 2 25 CYS HA 2 28 ASN HB3 . . 5.500 4.595 4.149 5.094 . 0 0 "[ . 1 . 2]" 1
1219 2 25 CYS HA 2 28 ASN H . . 4.500 3.667 3.573 3.970 . 0 0 "[ . 1 . 2]" 1
1220 2 25 CYS HA 2 29 ALA H . . 5.500 3.662 3.432 3.836 . 0 0 "[ . 1 . 2]" 1
1221 2 25 CYS HA 2 29 ALA MB . . 4.500 3.972 3.635 4.238 . 0 0 "[ . 1 . 2]" 1
1222 2 26 GLU HA 2 27 VAL H . . 5.500 3.549 3.520 3.575 . 0 0 "[ . 1 . 2]" 1
1223 2 26 GLU HB2 2 27 VAL H . . 4.500 2.604 2.430 2.798 . 0 0 "[ . 1 . 2]" 1
1224 2 26 GLU HB2 2 27 VAL MG2 . . 5.500 3.425 3.287 3.652 . 0 0 "[ . 1 . 2]" 1
1225 2 26 GLU HB3 2 27 VAL H . . 4.500 3.388 3.240 3.571 . 0 0 "[ . 1 . 2]" 1
1226 2 26 GLU HB3 2 27 VAL MG2 . . 5.500 3.921 3.762 4.176 . 0 0 "[ . 1 . 2]" 1
1227 2 26 GLU QG 2 27 VAL H . . 5.500 4.242 4.170 4.300 . 0 0 "[ . 1 . 2]" 1
1228 2 26 GLU H 2 27 VAL H . . 4.500 2.793 2.757 2.846 . 0 0 "[ . 1 . 2]" 1
1229 2 26 GLU HA 2 29 ALA MB . . 5.500 4.841 4.546 5.003 . 0 0 "[ . 1 . 2]" 1
1230 2 26 GLU HA 2 30 PRO HA . . 4.500 3.204 2.894 3.618 . 0 0 "[ . 1 . 2]" 1
1231 2 27 VAL HA 2 27 VAL MG1 . . 2.700 2.667 2.557 2.703 0.003 18 0 "[ . 1 . 2]" 1
1232 2 27 VAL HA 2 27 VAL MG2 . . 2.700 2.249 2.229 2.327 . 0 0 "[ . 1 . 2]" 1
1233 2 27 VAL H 2 27 VAL HB . . 2.700 2.239 2.209 2.373 . 0 0 "[ . 1 . 2]" 1
1234 2 27 VAL H 2 27 VAL MG2 . . 4.500 2.446 2.292 2.560 . 0 0 "[ . 1 . 2]" 1
1235 2 27 VAL HA 2 28 ASN H . . 5.500 3.570 3.556 3.579 . 0 0 "[ . 1 . 2]" 1
1236 2 27 VAL HB 2 28 ASN HB2 . . 5.500 4.572 4.502 4.654 . 0 0 "[ . 1 . 2]" 1
1237 2 27 VAL HB 2 28 ASN HD21 . . 3.500 2.872 2.676 3.029 . 0 0 "[ . 1 . 2]" 1
1238 2 27 VAL HB 2 28 ASN H . . 2.700 2.625 2.544 2.709 0.009 8 0 "[ . 1 . 2]" 1
1239 2 27 VAL H 2 28 ASN H . . 4.500 2.783 2.640 2.846 . 0 0 "[ . 1 . 2]" 1
1240 2 27 VAL MG1 2 28 ASN HA . . 5.500 3.207 3.135 3.404 . 0 0 "[ . 1 . 2]" 1
1241 2 27 VAL MG1 2 28 ASN HB2 . . 5.500 4.268 4.185 4.875 . 0 0 "[ . 1 . 2]" 1
1242 2 27 VAL MG1 2 28 ASN HD21 . . 2.700 2.753 2.596 2.779 0.079 10 0 "[ . 1 . 2]" 1
1243 2 27 VAL MG1 2 28 ASN H . . 4.500 2.943 2.879 3.312 . 0 0 "[ . 1 . 2]" 1
1244 2 27 VAL MG2 2 28 ASN HA . . 5.500 5.424 5.391 5.495 . 0 0 "[ . 1 . 2]" 1
1245 2 27 VAL MG2 2 28 ASN H . . 4.500 4.020 3.956 4.067 . 0 0 "[ . 1 . 2]" 1
1246 2 27 VAL HA 2 29 ALA H . . 5.500 4.831 4.727 4.967 . 0 0 "[ . 1 . 2]" 1
1247 2 27 VAL H 2 29 ALA H . . 5.500 4.312 4.072 4.481 . 0 0 "[ . 1 . 2]" 1
1248 2 27 VAL HA 2 30 PRO QD . . 5.500 4.387 4.246 4.774 . 0 0 "[ . 1 . 2]" 1
1249 2 28 ASN HA 2 28 ASN HB3 . . 2.700 2.574 2.541 2.617 . 0 0 "[ . 1 . 2]" 1
1250 2 28 ASN H 2 28 ASN HB2 . . 2.700 2.293 2.226 2.343 . 0 0 "[ . 1 . 2]" 1
1251 2 28 ASN HA 2 29 ALA H . . 4.500 3.571 3.535 3.596 . 0 0 "[ . 1 . 2]" 1
1252 2 28 ASN HB2 2 29 ALA H . . 4.500 2.944 2.599 3.102 . 0 0 "[ . 1 . 2]" 1
1253 2 28 ASN HB2 2 29 ALA MB . . 4.500 3.868 3.701 3.923 . 0 0 "[ . 1 . 2]" 1
1254 2 28 ASN HB3 2 29 ALA H . . 4.500 3.626 3.222 3.827 . 0 0 "[ . 1 . 2]" 1
1255 2 28 ASN HB3 2 29 ALA MB . . 4.500 3.705 3.372 3.894 . 0 0 "[ . 1 . 2]" 1
1256 2 28 ASN H 2 29 ALA H . . 3.500 2.711 2.647 2.837 . 0 0 "[ . 1 . 2]" 1
1257 2 28 ASN H 2 29 ALA MB . . 5.500 4.656 4.576 4.770 . 0 0 "[ . 1 . 2]" 1
1258 2 28 ASN HA 2 30 PRO QD . . 5.500 3.864 3.653 4.014 . 0 0 "[ . 1 . 2]" 1
1259 2 28 ASN H 2 30 PRO QG . . 5.500 5.233 5.045 5.342 . 0 0 "[ . 1 . 2]" 1
1260 2 29 ALA H 2 29 ALA MB . . 3.500 2.567 2.522 2.620 . 0 0 "[ . 1 . 2]" 1
1261 2 29 ALA HA 2 30 PRO HD2 . . 2.700 2.556 2.516 2.611 . 0 0 "[ . 1 . 2]" 1
1262 2 29 ALA HA 2 30 PRO HD3 . . 2.700 2.555 2.380 2.646 . 0 0 "[ . 1 . 2]" 1
1263 2 29 ALA HA 2 30 PRO QG . . 4.500 4.202 4.104 4.251 . 0 0 "[ . 1 . 2]" 1
1264 2 29 ALA H 2 30 PRO QD . . 4.500 3.085 2.944 3.245 . 0 0 "[ . 1 . 2]" 1
1265 2 29 ALA H 2 30 PRO QG . . 4.500 4.456 4.304 4.520 0.020 2 0 "[ . 1 . 2]" 1
1266 2 29 ALA MB 2 30 PRO QD . . 4.500 3.591 3.535 3.619 . 0 0 "[ . 1 . 2]" 1
1267 2 29 ALA MB 2 30 PRO QG . . 5.500 5.066 5.007 5.091 . 0 0 "[ . 1 . 2]" 1
1268 2 30 PRO HA 2 31 ILE QG . . 4.500 3.614 3.335 3.762 . 0 0 "[ . 1 . 2]" 1
1269 2 30 PRO HA 2 31 ILE H . . 2.700 2.172 2.097 2.420 . 0 0 "[ . 1 . 2]" 1
1270 2 30 PRO HA 2 31 ILE MD . . 4.500 4.515 4.301 4.576 0.076 18 0 "[ . 1 . 2]" 1
1271 2 30 PRO HA 2 31 ILE MG . . 5.500 5.498 5.428 5.524 0.024 15 0 "[ . 1 . 2]" 1
1272 2 30 PRO QB 2 31 ILE H . . 4.500 3.109 2.522 3.336 . 0 0 "[ . 1 . 2]" 1
1273 2 30 PRO QB 2 31 ILE MD . . 5.500 5.343 5.196 5.511 0.011 13 0 "[ . 1 . 2]" 1
1274 2 30 PRO QG 2 31 ILE H . . 5.500 4.609 4.290 4.704 . 0 0 "[ . 1 . 2]" 1
1275 2 31 ILE H 2 31 ILE HB . . 3.500 2.477 2.373 2.602 . 0 0 "[ . 1 . 2]" 1
1276 2 31 ILE HA 2 32 GLN H . . 2.700 2.201 2.094 2.309 . 0 0 "[ . 1 . 2]" 1
1277 2 31 ILE HB 2 32 GLN H . . 4.500 4.180 3.900 4.293 . 0 0 "[ . 1 . 2]" 1
1278 2 31 ILE QG 2 32 GLN H . . 5.500 4.220 4.054 4.317 . 0 0 "[ . 1 . 2]" 1
1279 2 31 ILE H 2 32 GLN H . . 5.500 4.590 4.426 4.686 . 0 0 "[ . 1 . 2]" 1
1280 2 31 ILE MD 2 32 GLN H . . 5.500 5.275 5.086 5.357 . 0 0 "[ . 1 . 2]" 1
1281 2 31 ILE MG 2 32 GLN HA . . 4.500 4.294 4.163 4.418 . 0 0 "[ . 1 . 2]" 1
1282 2 31 ILE MG 2 32 GLN H . . 3.500 2.684 2.317 2.882 . 0 0 "[ . 1 . 2]" 1
1283 2 31 ILE MG 2 32 GLN QB . . 4.500 3.759 3.428 4.019 . 0 0 "[ . 1 . 2]" 1
1284 2 31 ILE MG 2 33 GLY QA . . 5.500 4.089 3.383 4.744 . 0 0 "[ . 1 . 2]" 1
1285 2 31 ILE MG 2 33 GLY H . . 5.500 3.740 2.085 5.183 . 0 0 "[ . 1 . 2]" 1
1286 2 31 ILE MD 2 35 ARG H . . 5.500 4.724 4.103 5.508 0.008 18 0 "[ . 1 . 2]" 1
1287 2 31 ILE MG 2 35 ARG H . . 5.500 4.199 3.024 5.305 . 0 0 "[ . 1 . 2]" 1
1288 2 31 ILE MG 2 35 ARG QG . . 5.500 4.391 3.594 5.403 . 0 0 "[ . 1 . 2]" 1
1289 2 31 ILE MD 2 36 ASN QB . . 3.500 3.356 2.650 3.565 0.065 15 0 "[ . 1 . 2]" 1
1290 2 31 ILE MD 2 36 ASN H . . 4.500 2.848 1.748 4.360 . 0 0 "[ . 1 . 2]" 1
1291 2 31 ILE MG 2 36 ASN QD . . 5.500 4.853 3.631 5.539 0.039 3 0 "[ . 1 . 2]" 1
1292 2 31 ILE MG 2 36 ASN H . . 5.500 3.838 2.941 4.838 . 0 0 "[ . 1 . 2]" 1
1293 2 31 ILE MD 2 37 LEU H . . 4.500 4.284 3.310 4.649 0.149 11 0 "[ . 1 . 2]" 1
1294 2 32 GLN HA 2 33 GLY H . . 2.700 2.794 2.117 3.582 0.882 4 9 "[ *+** 1 * *- **2]" 1
1295 2 32 GLN QE 2 33 GLY H . . 5.500 4.615 2.562 5.521 0.021 14 0 "[ . 1 . 2]" 1
1296 2 32 GLN QG 2 33 GLY QA . . 5.500 4.707 3.295 5.512 0.012 8 0 "[ . 1 . 2]" 1
1297 2 32 GLN QG 2 33 GLY H . . 4.500 3.894 2.455 4.526 0.026 7 0 "[ . 1 . 2]" 1
1298 2 32 GLN H 2 33 GLY H . . 5.500 3.832 2.814 4.696 . 0 0 "[ . 1 . 2]" 1
1299 2 32 GLN QB 2 33 GLY H . . 4.500 2.935 2.345 3.958 . 0 0 "[ . 1 . 2]" 1
1300 2 33 GLY QA 2 34 SER H . . 4.500 2.287 2.112 2.921 . 0 0 "[ . 1 . 2]" 1
1301 2 33 GLY H 2 34 SER H . . 5.500 4.215 2.236 4.648 . 0 0 "[ . 1 . 2]" 1
1302 2 34 SER HA 2 35 ARG H . . 4.500 2.604 2.197 3.587 . 0 0 "[ . 1 . 2]" 1
1303 2 34 SER QB 2 35 ARG H . . 4.500 3.158 2.578 3.907 . 0 0 "[ . 1 . 2]" 1
1304 2 34 SER H 2 35 ARG H . . 5.500 3.871 2.756 4.677 . 0 0 "[ . 1 . 2]" 1
1305 2 35 ARG HA 2 36 ASN H . . 3.500 2.209 2.037 2.505 . 0 0 "[ . 1 . 2]" 1
1306 2 35 ARG HB2 2 36 ASN QB . . 5.500 5.378 5.232 5.510 0.010 5 0 "[ . 1 . 2]" 1
1307 2 35 ARG HB2 2 36 ASN H . . 4.500 3.905 3.312 4.416 . 0 0 "[ . 1 . 2]" 1
1308 2 35 ARG HB3 2 36 ASN QB . . 5.500 4.925 4.547 5.178 . 0 0 "[ . 1 . 2]" 1
1309 2 35 ARG HB3 2 36 ASN H . . 4.500 2.804 2.153 3.545 . 0 0 "[ . 1 . 2]" 1
1310 2 35 ARG H 2 36 ASN H . . 4.500 4.507 4.395 4.606 0.106 11 0 "[ . 1 . 2]" 1
1311 2 35 ARG QD 2 36 ASN H . . 5.500 4.571 3.393 5.548 0.048 17 0 "[ . 1 . 2]" 1
1312 2 35 ARG QG 2 36 ASN H . . 4.500 4.011 3.501 4.519 0.019 8 0 "[ . 1 . 2]" 1
1313 2 36 ASN HA 2 37 LEU H . . 3.500 2.798 2.136 3.571 0.071 10 0 "[ . 1 . 2]" 1
1314 2 36 ASN QB 2 37 LEU HG . . 5.500 4.712 3.071 5.569 0.069 6 0 "[ . 1 . 2]" 1
1315 2 36 ASN QB 2 37 LEU H . . 4.500 3.056 2.123 3.848 . 0 0 "[ . 1 . 2]" 1
1316 2 36 ASN H 2 38 LEU H . . 5.500 5.438 4.881 5.611 0.111 17 0 "[ . 1 . 2]" 1
1317 2 37 LEU H 2 37 LEU HB2 . . 3.500 2.720 2.451 3.108 . 0 0 "[ . 1 . 2]" 1
1318 2 37 LEU HA 2 38 LEU H . . 4.500 2.077 1.918 2.239 . 0 0 "[ . 1 . 2]" 1
1319 2 37 LEU HB2 2 38 LEU H . . 4.500 4.353 3.832 4.520 0.020 13 0 "[ . 1 . 2]" 1
1320 2 37 LEU HB3 2 38 LEU H . . 4.500 3.600 2.544 4.105 . 0 0 "[ . 1 . 2]" 1
1321 2 37 LEU HG 2 38 LEU H . . 5.500 5.211 4.786 5.493 . 0 0 "[ . 1 . 2]" 1
1322 2 37 LEU H 2 38 LEU H . . 5.500 4.015 3.219 4.370 . 0 0 "[ . 1 . 2]" 1
1323 2 37 LEU MD1 2 38 LEU H . . 5.500 5.072 4.228 5.473 . 0 0 "[ . 1 . 2]" 1
1324 2 37 LEU MD2 2 38 LEU H . . 4.500 3.663 3.078 3.977 . 0 0 "[ . 1 . 2]" 1
1325 2 37 LEU HB2 2 39 GLN QE . . 5.500 2.986 2.266 4.360 . 0 0 "[ . 1 . 2]" 1
1326 2 37 LEU HB3 2 39 GLN QE . . 5.500 3.274 2.483 4.573 . 0 0 "[ . 1 . 2]" 1
1327 2 38 LEU HA 2 38 LEU HB2 . . 2.700 2.597 2.552 2.671 . 0 0 "[ . 1 . 2]" 1
1328 2 38 LEU HA 2 38 LEU MD1 . . 3.500 2.713 2.463 2.935 . 0 0 "[ . 1 . 2]" 1
1329 2 38 LEU HA 2 38 LEU MD2 . . 2.700 2.317 2.196 2.416 . 0 0 "[ . 1 . 2]" 1
1330 2 38 LEU H 2 38 LEU HB2 . . 2.700 2.249 2.013 2.789 0.089 20 0 "[ . 1 . 2]" 1
1331 2 38 LEU H 2 38 LEU HB3 . . 2.700 2.573 2.349 2.756 0.056 12 0 "[ . 1 . 2]" 1
1332 2 38 LEU H 2 38 LEU MD1 . . 5.500 4.236 4.084 4.320 . 0 0 "[ . 1 . 2]" 1
1333 2 38 LEU H 2 38 LEU MD2 . . 5.500 3.970 3.716 4.364 . 0 0 "[ . 1 . 2]" 1
1334 2 38 LEU HA 2 39 GLN H . . 2.700 2.256 2.214 2.322 . 0 0 "[ . 1 . 2]" 1
1335 2 38 LEU HB3 2 39 GLN H . . 4.500 4.164 3.885 4.380 . 0 0 "[ . 1 . 2]" 1
1336 2 38 LEU HG 2 39 GLN H . . 5.500 4.844 4.495 5.190 . 0 0 "[ . 1 . 2]" 1
1337 2 38 LEU H 2 39 GLN H . . 5.500 4.577 4.198 4.698 . 0 0 "[ . 1 . 2]" 1
1338 2 38 LEU MD1 2 39 GLN HB2 . . 5.500 4.803 4.120 5.243 . 0 0 "[ . 1 . 2]" 1
1339 2 38 LEU MD1 2 39 GLN QE . . 5.500 5.341 3.979 5.547 0.047 19 0 "[ . 1 . 2]" 1
1340 2 38 LEU MD1 2 39 GLN H . . 3.500 2.314 1.930 2.651 . 0 0 "[ . 1 . 2]" 1
1341 2 38 LEU MD1 2 39 GLN QG . . 4.500 4.400 3.895 4.556 0.056 8 0 "[ . 1 . 2]" 1
1342 2 38 LEU MD2 2 39 GLN H . . 5.500 3.339 3.182 3.569 . 0 0 "[ . 1 . 2]" 1
1343 2 38 LEU MD1 2 40 GLY QA . . 5.500 4.974 4.812 5.235 . 0 0 "[ . 1 . 2]" 1
1344 2 38 LEU HA 2 42 GLU HB2 . . 5.500 4.701 4.111 5.016 . 0 0 "[ . 1 . 2]" 1
1345 2 38 LEU HA 2 42 GLU HB3 . . 5.500 5.053 4.470 5.410 . 0 0 "[ . 1 . 2]" 1
1346 2 38 LEU HG 2 42 GLU HB2 . . 5.500 4.934 4.598 5.143 . 0 0 "[ . 1 . 2]" 1
1347 2 38 LEU HG 2 42 GLU HB3 . . 4.500 4.281 4.004 4.471 . 0 0 "[ . 1 . 2]" 1
1348 2 38 LEU MD1 2 42 GLU HB2 . . 2.700 2.216 2.000 2.361 . 0 0 "[ . 1 . 2]" 1
1349 2 38 LEU MD1 2 42 GLU HB3 . . 3.500 2.228 2.103 2.528 . 0 0 "[ . 1 . 2]" 1
1350 2 38 LEU MD1 2 42 GLU QG . . 3.500 3.524 3.505 3.580 0.080 20 0 "[ . 1 . 2]" 1
1351 2 38 LEU MD2 2 42 GLU HB2 . . 3.500 3.386 3.096 3.545 0.045 12 0 "[ . 1 . 2]" 1
1352 2 38 LEU MD2 2 42 GLU HB3 . . 2.700 2.615 2.183 2.787 0.087 5 0 "[ . 1 . 2]" 1
1353 2 38 LEU MD2 2 42 GLU QG . . 4.500 3.621 2.951 4.335 . 0 0 "[ . 1 . 2]" 1
1354 2 38 LEU MD2 2 42 GLU H . . 5.500 5.414 5.066 5.533 0.033 12 0 "[ . 1 . 2]" 1
1355 2 38 LEU HG 2 43 LEU HA . . 5.500 3.817 3.242 4.430 . 0 0 "[ . 1 . 2]" 1
1356 2 38 LEU MD1 2 43 LEU HA . . 3.500 2.331 2.231 2.493 . 0 0 "[ . 1 . 2]" 1
1357 2 38 LEU MD1 2 43 LEU HG . . 5.500 2.351 2.119 2.794 . 0 0 "[ . 1 . 2]" 1
1358 2 38 LEU MD1 2 43 LEU H . . 5.500 2.851 2.655 3.030 . 0 0 "[ . 1 . 2]" 1
1359 2 38 LEU MD2 2 43 LEU HG . . 5.500 4.970 4.831 5.223 . 0 0 "[ . 1 . 2]" 1
1360 2 38 LEU MD2 2 43 LEU H . . 5.500 4.956 4.826 5.058 . 0 0 "[ . 1 . 2]" 1
1361 2 38 LEU MD1 2 46 ALA H . . 5.500 4.148 3.936 4.450 . 0 0 "[ . 1 . 2]" 1
1362 2 38 LEU MD1 2 46 ALA MB . . 3.500 3.081 2.791 3.501 0.001 12 0 "[ . 1 . 2]" 1
1363 2 38 LEU MD2 2 46 ALA MB . . 3.500 3.541 3.512 3.596 0.096 7 0 "[ . 1 . 2]" 1
1364 2 38 LEU MD1 2 47 LEU MD2 . . 5.500 5.455 5.145 5.546 0.046 5 0 "[ . 1 . 2]" 1
1365 2 39 GLN HA 2 40 GLY H . . 4.500 2.304 2.194 2.419 . 0 0 "[ . 1 . 2]" 1
1366 2 39 GLN HB2 2 40 GLY H . . 4.500 2.993 2.263 3.869 . 0 0 "[ . 1 . 2]" 1
1367 2 39 GLN HB3 2 40 GLY H . . 4.500 3.183 2.363 3.799 . 0 0 "[ . 1 . 2]" 1
1368 2 39 GLN H 2 40 GLY H . . 5.500 4.478 4.406 4.527 . 0 0 "[ . 1 . 2]" 1
1369 2 39 GLN QG 2 40 GLY H . . 5.500 3.778 3.317 4.537 . 0 0 "[ . 1 . 2]" 1
1370 2 39 GLN H 2 42 GLU HB2 . . 4.500 3.462 3.127 3.730 . 0 0 "[ . 1 . 2]" 1
1371 2 39 GLN H 2 42 GLU HB3 . . 5.500 4.553 4.285 4.870 . 0 0 "[ . 1 . 2]" 1
1372 2 39 GLN H 2 42 GLU QG . . 5.500 4.471 4.056 4.774 . 0 0 "[ . 1 . 2]" 1
1373 2 39 GLN H 2 42 GLU H . . 5.500 5.205 5.025 5.314 . 0 0 "[ . 1 . 2]" 1
1374 2 39 GLN HA 2 43 LEU MD1 . . 5.500 2.520 2.268 3.189 . 0 0 "[ . 1 . 2]" 1
1375 2 39 GLN HA 2 43 LEU MD2 . . 5.500 3.017 2.449 3.742 . 0 0 "[ . 1 . 2]" 1
1376 2 39 GLN H 2 43 LEU HG . . 5.500 3.907 3.565 4.110 . 0 0 "[ . 1 . 2]" 1
1377 2 39 GLN H 2 43 LEU MD2 . . 5.500 4.292 3.885 4.465 . 0 0 "[ . 1 . 2]" 1
1378 2 40 GLY H 2 41 GLU H . . 5.500 4.657 4.557 4.695 . 0 0 "[ . 1 . 2]" 1
1379 2 40 GLY HA2 2 43 LEU MD1 . . 5.500 3.063 2.852 3.237 . 0 0 "[ . 1 . 2]" 1
1380 2 40 GLY HA2 2 43 LEU MD2 . . 5.500 5.537 5.384 5.601 0.101 8 0 "[ . 1 . 2]" 1
1381 2 40 GLY H 2 43 LEU MD2 . . 5.500 4.314 3.909 4.668 . 0 0 "[ . 1 . 2]" 1
1382 2 40 GLY HA2 2 44 LEU MD2 . . 5.500 5.570 5.535 5.596 0.096 3 0 "[ . 1 . 2]" 1
1383 2 41 GLU QB 2 42 GLU QG . . 4.500 3.878 3.625 4.523 0.023 1 0 "[ . 1 . 2]" 1
1384 2 41 GLU QB 2 42 GLU H . . 4.500 2.836 2.555 3.035 . 0 0 "[ . 1 . 2]" 1
1385 2 41 GLU QG 2 42 GLU H . . 5.500 4.011 3.777 4.251 . 0 0 "[ . 1 . 2]" 1
1386 2 41 GLU H 2 42 GLU H . . 4.500 2.928 2.847 3.031 . 0 0 "[ . 1 . 2]" 1
1387 2 41 GLU H 2 43 LEU H . . 5.500 4.435 4.394 4.480 . 0 0 "[ . 1 . 2]" 1
1388 2 41 GLU HA 2 44 LEU HB2 . . 5.500 3.502 3.229 3.736 . 0 0 "[ . 1 . 2]" 1
1389 2 41 GLU HA 2 44 LEU HB3 . . 5.500 5.081 4.798 5.336 . 0 0 "[ . 1 . 2]" 1
1390 2 41 GLU HA 2 44 LEU HG . . 4.500 2.951 2.679 3.299 . 0 0 "[ . 1 . 2]" 1
1391 2 41 GLU HA 2 44 LEU H . . 4.500 3.486 3.296 3.741 . 0 0 "[ . 1 . 2]" 1
1392 2 41 GLU HA 2 44 LEU MD1 . . 4.500 3.655 3.408 3.924 . 0 0 "[ . 1 . 2]" 1
1393 2 41 GLU HA 2 44 LEU MD2 . . 5.500 4.501 4.294 4.788 . 0 0 "[ . 1 . 2]" 1
1394 2 41 GLU QB 2 44 LEU HG . . 5.500 4.988 4.731 5.313 . 0 0 "[ . 1 . 2]" 1
1395 2 41 GLU QB 2 44 LEU MD1 . . 5.500 4.891 4.537 5.257 . 0 0 "[ . 1 . 2]" 1
1396 2 41 GLU QG 2 44 LEU HB2 . . 5.500 3.467 3.049 3.917 . 0 0 "[ . 1 . 2]" 1
1397 2 41 GLU QG 2 44 LEU HG . . 5.500 4.150 3.698 4.865 . 0 0 "[ . 1 . 2]" 1
1398 2 41 GLU QG 2 44 LEU MD1 . . 4.500 3.673 3.042 4.512 0.012 10 0 "[ . 1 . 2]" 1
1399 2 41 GLU QB 2 45 ARG QG . . 5.500 4.231 3.931 4.478 . 0 0 "[ . 1 . 2]" 1
1400 2 41 GLU QB 2 45 ARG QD . . 5.500 3.857 3.331 4.381 . 0 0 "[ . 1 . 2]" 1
1401 2 41 GLU QG 2 45 ARG HA . . 5.500 5.197 4.914 5.469 . 0 0 "[ . 1 . 2]" 1
1402 2 41 GLU QG 2 45 ARG HB2 . . 5.500 4.513 4.372 4.680 . 0 0 "[ . 1 . 2]" 1
1403 2 41 GLU QG 2 45 ARG HB3 . . 5.500 5.283 5.178 5.394 . 0 0 "[ . 1 . 2]" 1
1404 2 41 GLU QG 2 45 ARG QG . . 4.500 2.537 2.368 2.691 . 0 0 "[ . 1 . 2]" 1
1405 2 41 GLU QG 2 45 ARG QD . . 5.500 3.076 2.187 3.752 . 0 0 "[ . 1 . 2]" 1
1406 2 42 GLU HA 2 43 LEU H . . 4.500 3.539 3.505 3.560 . 0 0 "[ . 1 . 2]" 1
1407 2 42 GLU HB2 2 43 LEU H . . 4.500 2.986 2.654 3.127 . 0 0 "[ . 1 . 2]" 1
1408 2 42 GLU HB3 2 43 LEU H . . 4.500 3.798 3.634 3.935 . 0 0 "[ . 1 . 2]" 1
1409 2 42 GLU QG 2 43 LEU H . . 5.500 4.374 4.045 4.745 . 0 0 "[ . 1 . 2]" 1
1410 2 42 GLU H 2 43 LEU H . . 4.500 2.801 2.747 2.879 . 0 0 "[ . 1 . 2]" 1
1411 2 42 GLU H 2 44 LEU H . . 5.500 4.728 4.565 4.851 . 0 0 "[ . 1 . 2]" 1
1412 2 42 GLU HA 2 45 ARG HB2 . . 5.500 2.376 2.234 2.586 . 0 0 "[ . 1 . 2]" 1
1413 2 42 GLU HA 2 45 ARG HB3 . . 4.500 3.957 3.753 4.161 . 0 0 "[ . 1 . 2]" 1
1414 2 42 GLU HA 2 45 ARG QG . . 3.500 3.443 3.159 3.555 0.055 8 0 "[ . 1 . 2]" 1
1415 2 42 GLU HA 2 45 ARG H . . 4.500 3.467 3.342 3.656 . 0 0 "[ . 1 . 2]" 1
1416 2 42 GLU HA 2 45 ARG QD . . 3.500 2.325 2.074 2.662 . 0 0 "[ . 1 . 2]" 1
1417 2 42 GLU HA 2 46 ALA H . . 4.500 3.832 3.693 4.016 . 0 0 "[ . 1 . 2]" 1
1418 2 43 LEU HA 2 44 LEU H . . 5.500 3.551 3.542 3.571 . 0 0 "[ . 1 . 2]" 1
1419 2 43 LEU HB2 2 44 LEU H . . 5.500 2.099 2.033 2.208 . 0 0 "[ . 1 . 2]" 1
1420 2 43 LEU HB3 2 44 LEU H . . 5.500 3.093 3.021 3.241 . 0 0 "[ . 1 . 2]" 1
1421 2 43 LEU HB3 2 44 LEU MD2 . . 5.500 2.869 2.716 3.058 . 0 0 "[ . 1 . 2]" 1
1422 2 43 LEU HG 2 44 LEU H . . 5.500 4.289 4.222 4.347 . 0 0 "[ . 1 . 2]" 1
1423 2 43 LEU H 2 44 LEU HB2 . . 5.500 5.098 4.984 5.185 . 0 0 "[ . 1 . 2]" 1
1424 2 43 LEU H 2 44 LEU H . . 4.500 2.802 2.728 2.884 . 0 0 "[ . 1 . 2]" 1
1425 2 43 LEU MD2 2 44 LEU H . . 5.500 4.583 4.523 4.674 . 0 0 "[ . 1 . 2]" 1
1426 2 43 LEU H 2 45 ARG H . . 5.500 4.110 4.005 4.177 . 0 0 "[ . 1 . 2]" 1
1427 2 43 LEU HA 2 46 ALA H . . 5.500 3.765 3.651 3.869 . 0 0 "[ . 1 . 2]" 1
1428 2 43 LEU MD1 2 47 LEU MD2 . . 5.500 5.356 5.141 5.547 0.047 18 0 "[ . 1 . 2]" 1
1429 2 43 LEU MD2 2 47 LEU MD1 . . 4.500 4.097 3.817 4.390 . 0 0 "[ . 1 . 2]" 1
1430 2 43 LEU MD2 2 47 LEU MD2 . . 5.500 4.058 3.779 4.291 . 0 0 "[ . 1 . 2]" 1
1431 2 44 LEU H 2 44 LEU HB2 . . 3.500 2.744 2.721 2.779 . 0 0 "[ . 1 . 2]" 1
1432 2 44 LEU HA 2 45 ARG H . . 5.500 3.550 3.532 3.566 . 0 0 "[ . 1 . 2]" 1
1433 2 44 LEU HB2 2 45 ARG QG . . 4.500 3.550 3.391 3.691 . 0 0 "[ . 1 . 2]" 1
1434 2 44 LEU HB2 2 45 ARG H . . 4.500 2.676 2.558 2.777 . 0 0 "[ . 1 . 2]" 1
1435 2 44 LEU HB3 2 45 ARG QG . . 5.500 4.769 4.615 4.909 . 0 0 "[ . 1 . 2]" 1
1436 2 44 LEU HB3 2 45 ARG H . . 4.500 3.811 3.718 3.907 . 0 0 "[ . 1 . 2]" 1
1437 2 44 LEU HG 2 45 ARG H . . 5.500 4.183 4.120 4.293 . 0 0 "[ . 1 . 2]" 1
1438 2 44 LEU H 2 45 ARG QG . . 5.500 4.631 4.534 4.726 . 0 0 "[ . 1 . 2]" 1
1439 2 44 LEU H 2 45 ARG H . . 4.500 2.844 2.780 2.889 . 0 0 "[ . 1 . 2]" 1
1440 2 44 LEU MD1 2 45 ARG QG . . 5.500 5.062 4.932 5.200 . 0 0 "[ . 1 . 2]" 1
1441 2 44 LEU MD1 2 45 ARG H . . 5.500 4.720 4.622 4.813 . 0 0 "[ . 1 . 2]" 1
1442 2 44 LEU MD2 2 45 ARG H . . 5.500 4.508 4.477 4.550 . 0 0 "[ . 1 . 2]" 1
1443 2 44 LEU HA 2 46 ALA H . . 5.500 4.544 4.456 4.609 . 0 0 "[ . 1 . 2]" 1
1444 2 44 LEU H 2 46 ALA H . . 5.500 4.377 4.309 4.445 . 0 0 "[ . 1 . 2]" 1
1445 2 44 LEU HA 2 47 LEU QB . . 5.500 2.609 2.520 2.766 . 0 0 "[ . 1 . 2]" 1
1446 2 44 LEU HA 2 47 LEU HG . . 5.500 3.116 2.798 3.223 . 0 0 "[ . 1 . 2]" 1
1447 2 44 LEU HA 2 47 LEU H . . 5.500 3.389 3.285 3.512 . 0 0 "[ . 1 . 2]" 1
1448 2 44 LEU HA 2 47 LEU MD1 . . 4.500 2.721 2.608 2.846 . 0 0 "[ . 1 . 2]" 1
1449 2 44 LEU HA 2 47 LEU MD2 . . 5.500 4.576 4.377 4.644 . 0 0 "[ . 1 . 2]" 1
1450 2 44 LEU HB3 2 47 LEU HG . . 5.500 5.469 5.158 5.553 0.053 2 0 "[ . 1 . 2]" 1
1451 2 44 LEU MD1 2 47 LEU MD1 . . 4.500 4.538 4.513 4.553 0.053 3 0 "[ . 1 . 2]" 1
1452 2 44 LEU MD2 2 47 LEU HG . . 4.500 3.783 3.562 3.901 . 0 0 "[ . 1 . 2]" 1
1453 2 44 LEU MD2 2 47 LEU MD1 . . 4.500 2.593 2.529 2.660 . 0 0 "[ . 1 . 2]" 1
1454 2 44 LEU MD2 2 47 LEU MD2 . . 5.500 4.580 4.422 4.685 . 0 0 "[ . 1 . 2]" 1
1455 2 44 LEU HB3 2 48 ASP H . . 5.500 4.887 4.750 5.049 . 0 0 "[ . 1 . 2]" 1
1456 2 45 ARG H 2 45 ARG HB2 . . 2.700 2.486 2.392 2.555 . 0 0 "[ . 1 . 2]" 1
1457 2 45 ARG HA 2 46 ALA H . . 5.500 3.577 3.567 3.586 . 0 0 "[ . 1 . 2]" 1
1458 2 45 ARG HB2 2 46 ALA H . . 3.500 2.538 2.455 2.648 . 0 0 "[ . 1 . 2]" 1
1459 2 45 ARG HB3 2 46 ALA H . . 4.500 3.475 3.389 3.557 . 0 0 "[ . 1 . 2]" 1
1460 2 45 ARG QG 2 46 ALA H . . 5.500 4.168 4.094 4.225 . 0 0 "[ . 1 . 2]" 1
1461 2 45 ARG H 2 46 ALA H . . 4.500 2.823 2.761 2.877 . 0 0 "[ . 1 . 2]" 1
1462 2 45 ARG HA 2 48 ASP H . . 4.500 3.691 3.461 3.887 . 0 0 "[ . 1 . 2]" 1
1463 2 45 ARG HA 2 48 ASP QB . . 3.500 2.849 2.660 3.051 . 0 0 "[ . 1 . 2]" 1
1464 2 45 ARG HA 2 49 GLN HB3 . . 5.500 5.476 5.240 5.558 0.058 12 0 "[ . 1 . 2]" 1
1465 2 46 ALA HA 2 47 LEU H . . 4.500 3.603 3.585 3.624 . 0 0 "[ . 1 . 2]" 1
1466 2 46 ALA H 2 47 LEU H . . 4.500 2.810 2.776 2.859 . 0 0 "[ . 1 . 2]" 1
1467 2 46 ALA H 2 47 LEU MD2 . . 5.500 5.301 5.014 5.416 . 0 0 "[ . 1 . 2]" 1
1468 2 46 ALA MB 2 47 LEU H . . 4.500 2.558 2.417 2.682 . 0 0 "[ . 1 . 2]" 1
1469 2 46 ALA MB 2 47 LEU MD1 . . 5.500 4.810 4.710 4.927 . 0 0 "[ . 1 . 2]" 1
1470 2 46 ALA MB 2 47 LEU MD2 . . 4.500 3.547 3.313 3.684 . 0 0 "[ . 1 . 2]" 1
1471 2 46 ALA H 2 48 ASP H . . 5.500 4.278 4.095 4.371 . 0 0 "[ . 1 . 2]" 1
1472 2 46 ALA HA 2 49 GLN HB2 . . 5.500 5.190 4.712 5.503 0.003 17 0 "[ . 1 . 2]" 1
1473 2 46 ALA HA 2 49 GLN HB3 . . 5.500 3.629 3.172 3.961 . 0 0 "[ . 1 . 2]" 1
1474 2 46 ALA HA 2 49 GLN QE . . 5.500 2.924 2.349 4.095 . 0 0 "[ . 1 . 2]" 1
1475 2 46 ALA HA 2 49 GLN QG . . 4.500 3.947 3.749 4.115 . 0 0 "[ . 1 . 2]" 1
1476 2 46 ALA HA 2 49 GLN H . . 4.500 3.913 3.617 4.125 . 0 0 "[ . 1 . 2]" 1
1477 2 46 ALA MB 2 49 GLN QE . . 5.500 3.153 2.683 3.971 . 0 0 "[ . 1 . 2]" 1
1478 2 46 ALA MB 2 49 GLN QG . . 5.500 4.574 4.359 4.739 . 0 0 "[ . 1 . 2]" 1
1479 2 47 LEU HA 2 48 ASP H . . 4.500 3.560 3.535 3.585 . 0 0 "[ . 1 . 2]" 1
1480 2 47 LEU QB 2 48 ASP H . . 5.500 2.543 2.391 2.817 . 0 0 "[ . 1 . 2]" 1
1481 2 47 LEU HG 2 48 ASP H . . 5.500 4.362 4.161 4.513 . 0 0 "[ . 1 . 2]" 1
1482 2 47 LEU H 2 48 ASP H . . 4.500 2.770 2.696 2.871 . 0 0 "[ . 1 . 2]" 1
1483 2 47 LEU MD1 2 48 ASP H . . 5.500 4.552 4.429 4.774 . 0 0 "[ . 1 . 2]" 1
1484 2 47 LEU MD2 2 48 ASP H . . 5.500 4.709 4.598 4.793 . 0 0 "[ . 1 . 2]" 1
1485 2 47 LEU H 2 49 GLN H . . 5.500 4.465 4.292 4.565 . 0 0 "[ . 1 . 2]" 1
1486 2 47 LEU HA 2 50 VAL MG2 . . 4.500 3.279 2.874 3.617 . 0 0 "[ . 1 . 2]" 1
1487 2 47 LEU MD2 2 50 VAL MG2 . . 4.500 4.169 3.730 4.475 . 0 0 "[ . 1 . 2]" 1
1488 2 48 ASP HA 2 48 ASP QB . . 2.700 2.412 2.310 2.474 . 0 0 "[ . 1 . 2]" 1
1489 2 48 ASP H 2 48 ASP QB . . 2.700 2.190 2.151 2.230 . 0 0 "[ . 1 . 2]" 1
1490 2 48 ASP H 2 49 GLN H . . 4.500 2.882 2.727 2.977 . 0 0 "[ . 1 . 2]" 1
1491 2 48 ASP QB 2 49 GLN H . . 4.500 2.909 2.681 3.252 . 0 0 "[ . 1 . 2]" 1
1492 2 48 ASP HA 2 50 VAL HB . . 5.500 4.601 4.434 4.837 . 0 0 "[ . 1 . 2]" 1
1493 2 48 ASP HA 2 50 VAL MG2 . . 4.500 4.513 4.363 4.577 0.077 12 0 "[ . 1 . 2]" 1
1494 2 48 ASP H 2 50 VAL MG2 . . 5.500 4.949 4.679 5.204 . 0 0 "[ . 1 . 2]" 1
1495 2 48 ASP QB 2 50 VAL H . . 5.500 4.797 4.660 4.944 . 0 0 "[ . 1 . 2]" 1
1496 2 49 GLN HA 2 49 GLN HB2 . . 2.700 2.290 2.266 2.319 . 0 0 "[ . 1 . 2]" 1
1497 2 49 GLN H 2 49 GLN HB3 . . 3.500 2.270 2.189 2.372 . 0 0 "[ . 1 . 2]" 1
1498 2 49 GLN HA 2 50 VAL H . . 3.500 3.431 3.384 3.501 0.001 6 0 "[ . 1 . 2]" 1
1499 2 49 GLN HA 2 50 VAL MG2 . . 5.500 5.002 4.937 5.095 . 0 0 "[ . 1 . 2]" 1
1500 2 49 GLN HB2 2 50 VAL H . . 5.500 4.382 4.307 4.459 . 0 0 "[ . 1 . 2]" 1
1501 2 49 GLN HB2 2 50 VAL MG2 . . 5.500 5.305 5.183 5.484 . 0 0 "[ . 1 . 2]" 1
1502 2 49 GLN HB3 2 50 VAL H . . 4.500 4.166 4.011 4.230 . 0 0 "[ . 1 . 2]" 1
1503 2 49 GLN HB3 2 50 VAL MG2 . . 5.500 5.078 4.850 5.228 . 0 0 "[ . 1 . 2]" 1
1504 2 49 GLN QE 2 50 VAL MG2 . . 5.500 4.217 3.798 4.432 . 0 0 "[ . 1 . 2]" 1
1505 2 49 GLN QG 2 50 VAL HA . . 5.500 3.491 3.356 3.630 . 0 0 "[ . 1 . 2]" 1
1506 2 49 GLN QG 2 50 VAL H . . 4.500 2.790 2.606 2.917 . 0 0 "[ . 1 . 2]" 1
1507 2 49 GLN QG 2 50 VAL MG2 . . 5.500 3.016 2.765 3.187 . 0 0 "[ . 1 . 2]" 1
1508 2 49 GLN H 2 50 VAL H . . 3.500 2.927 2.760 3.131 . 0 0 "[ . 1 . 2]" 1
1509 2 49 GLN H 2 50 VAL MG2 . . 5.500 4.058 3.877 4.224 . 0 0 "[ . 1 . 2]" 1
1510 2 49 GLN HA 2 51 ASN H . . 5.500 4.632 3.830 5.587 0.087 17 0 "[ . 1 . 2]" 1
1511 2 49 GLN QG 2 51 ASN H . . 5.500 4.973 4.705 5.197 . 0 0 "[ . 1 . 2]" 1
1512 2 50 VAL HA 2 50 VAL MG1 . . 2.700 2.347 2.262 2.449 . 0 0 "[ . 1 . 2]" 1
1513 2 50 VAL HA 2 50 VAL MG2 . . 2.700 2.577 2.480 2.678 . 0 0 "[ . 1 . 2]" 1
1514 2 50 VAL H 2 50 VAL HB . . 2.700 2.659 2.564 2.753 0.053 6 0 "[ . 1 . 2]" 1
1515 2 50 VAL H 2 50 VAL MG2 . . 2.700 2.055 1.969 2.170 . 0 0 "[ . 1 . 2]" 1
1516 2 50 VAL HA 2 51 ASN H . . 3.500 3.058 2.138 3.556 0.056 2 0 "[ . 1 . 2]" 1
1517 2 50 VAL HB 2 51 ASN H . . 4.500 3.147 2.153 4.268 . 0 0 "[ . 1 . 2]" 1
1518 2 50 VAL H 2 51 ASN H . . 4.500 3.355 2.674 4.544 0.044 13 0 "[ . 1 . 2]" 1
1519 2 50 VAL MG1 2 51 ASN HA . . 4.500 3.755 3.570 4.320 . 0 0 "[ . 1 . 2]" 1
1520 2 50 VAL MG1 2 51 ASN HB2 . . 5.500 5.515 5.198 5.599 0.099 4 0 "[ . 1 . 2]" 1
1521 2 50 VAL MG1 2 51 ASN H . . 4.500 3.326 2.781 3.771 . 0 0 "[ . 1 . 2]" 1
1522 2 50 VAL MG2 2 51 ASN H . . 4.500 3.995 3.633 4.386 . 0 0 "[ . 1 . 2]" 1
1523 2 51 ASN H 2 51 ASN HB3 . . 3.500 2.821 2.296 3.420 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 22
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 LEU HB2 1 19 ALA H . . 4.500 2.543 2.445 2.714 . 0 0 "[ . 1 . 2]" 2
2 1 1 ALA HA 1 4 GLU H . . 3.500 3.011 2.796 3.408 . 0 0 "[ . 1 . 2]" 2
3 1 8 LEU QD 1 10 GLN H . . 4.500 3.820 3.668 3.877 . 0 0 "[ . 1 . 2]" 2
4 1 25 ARG QB 1 26 GLU H . . 2.700 2.440 2.307 2.641 . 0 0 "[ . 1 . 2]" 2
5 1 24 ARG QB 1 33 ARG H . . 3.500 2.646 2.207 3.252 . 0 0 "[ . 1 . 2]" 2
6 1 21 LYS QB 1 34 ALA H . . 4.500 3.421 2.057 4.048 . 0 0 "[ . 1 . 2]" 2
7 1 1 ALA MB 1 65 ALA H . . 2.700 2.210 2.168 2.254 . 0 0 "[ . 1 . 2]" 2
8 1 82 CYS QB 1 84 VAL H . . 4.500 2.878 2.741 3.215 . 0 0 "[ . 1 . 2]" 2
9 1 14 VAL MG1 1 84 VAL H . . 2.700 2.521 2.269 2.673 . 0 0 "[ . 1 . 2]" 2
10 1 6 ARG QB 1 85 CYS H . . 4.500 4.304 4.177 4.385 . 0 0 "[ . 1 . 2]" 2
11 1 9 ILE QG 1 85 CYS H . . 4.500 3.045 2.982 3.110 . 0 0 "[ . 1 . 2]" 2
12 1 12 GLN QG 1 15 LEU MD1 . . 4.500 2.035 1.912 2.600 . 0 0 "[ . 1 . 2]" 2
13 1 13 LEU HB3 1 43 MET QG . . 5.500 2.580 2.444 3.332 . 0 0 "[ . 1 . 2]" 2
14 1 13 LEU H 1 15 LEU MD1 . . 4.500 3.896 3.741 4.093 . 0 0 "[ . 1 . 2]" 2
15 1 5 LYS HB2 1 10 GLN QG . . 4.500 3.198 2.994 3.484 . 0 0 "[ . 1 . 2]" 2
16 1 3 PRO QB 1 7 LYS QG . . 5.500 3.523 3.253 3.863 . 0 0 "[ . 1 . 2]" 2
17 1 3 PRO QG 1 7 LYS QG . . 4.500 3.782 3.373 4.029 . 0 0 "[ . 1 . 2]" 2
18 1 5 LYS HB2 1 9 ILE MD . . 5.500 3.970 3.690 4.178 . 0 0 "[ . 1 . 2]" 2
19 1 9 ILE QG 1 13 LEU MD2 . . 2.700 2.321 2.061 2.648 . 0 0 "[ . 1 . 2]" 2
20 1 21 LYS QG 1 44 LYS HB3 . . 2.700 2.397 2.251 2.587 . 0 0 "[ . 1 . 2]" 2
21 1 49 HIS HB2 1 61 VAL MG1 . . 4.500 3.258 2.983 3.632 . 0 0 "[ . 1 . 2]" 2
22 1 12 GLN HA 1 65 ALA MB . . 4.500 4.116 3.780 4.418 . 0 0 "[ . 1 . 2]" 2
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