NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400235 |
1ul5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ul5
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 1064
_Distance_constraint_stats_list.Viol_count 813
_Distance_constraint_stats_list.Viol_total 168.773
_Distance_constraint_stats_list.Viol_max 0.139
_Distance_constraint_stats_list.Viol_rms 0.0034
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0104
_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 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ALA 0.015 0.009 7 0 "[ . 1 . 2]"
1 5 ARG 0.256 0.030 9 0 "[ . 1 . 2]"
1 6 CYS 0.084 0.014 19 0 "[ . 1 . 2]"
1 7 GLN 0.291 0.014 19 0 "[ . 1 . 2]"
1 8 VAL 0.881 0.032 16 0 "[ . 1 . 2]"
1 9 PRO 0.227 0.021 1 0 "[ . 1 . 2]"
1 10 ASP 0.260 0.020 10 0 "[ . 1 . 2]"
1 11 CYS 0.003 0.002 18 0 "[ . 1 . 2]"
1 12 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.003 0.002 3 0 "[ . 1 . 2]"
1 14 ASP 0.096 0.015 2 0 "[ . 1 . 2]"
1 15 ILE 0.669 0.030 1 0 "[ . 1 . 2]"
1 16 SER 0.191 0.030 1 0 "[ . 1 . 2]"
1 17 GLU 0.005 0.005 1 0 "[ . 1 . 2]"
1 18 LEU 0.597 0.026 18 0 "[ . 1 . 2]"
1 19 LYS 0.046 0.040 1 0 "[ . 1 . 2]"
1 20 GLY 0.040 0.040 1 0 "[ . 1 . 2]"
1 21 TYR 0.052 0.009 1 0 "[ . 1 . 2]"
1 22 HIS 1.053 0.022 17 0 "[ . 1 . 2]"
1 23 LYS 0.282 0.018 16 0 "[ . 1 . 2]"
1 24 ARG 0.023 0.004 5 0 "[ . 1 . 2]"
1 25 HIS 0.135 0.019 15 0 "[ . 1 . 2]"
1 26 ARG 0.388 0.021 14 0 "[ . 1 . 2]"
1 27 VAL 0.469 0.015 11 0 "[ . 1 . 2]"
1 28 CYS 0.006 0.003 9 0 "[ . 1 . 2]"
1 29 LEU 0.380 0.068 3 0 "[ . 1 . 2]"
1 30 ARG 0.020 0.012 1 0 "[ . 1 . 2]"
1 31 CYS 0.002 0.002 16 0 "[ . 1 . 2]"
1 32 ALA 0.100 0.014 19 0 "[ . 1 . 2]"
1 33 THR 0.021 0.012 1 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 18 0 "[ . 1 . 2]"
1 35 SER 0.002 0.002 9 0 "[ . 1 . 2]"
1 36 PHE 0.012 0.007 7 0 "[ . 1 . 2]"
1 37 VAL 0.013 0.003 4 0 "[ . 1 . 2]"
1 38 VAL 0.040 0.007 3 0 "[ . 1 . 2]"
1 39 LEU 0.931 0.032 16 0 "[ . 1 . 2]"
1 40 ASP 0.244 0.019 9 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 GLU 0.031 0.010 20 0 "[ . 1 . 2]"
1 43 ASN 0.029 0.007 7 0 "[ . 1 . 2]"
1 44 LYS 0.022 0.006 18 0 "[ . 1 . 2]"
1 45 ARG 0.229 0.018 20 0 "[ . 1 . 2]"
1 46 TYR 0.046 0.007 6 0 "[ . 1 . 2]"
1 47 CYS 0.010 0.008 2 0 "[ . 1 . 2]"
1 48 GLN 0.273 0.058 10 0 "[ . 1 . 2]"
1 49 GLN 0.295 0.058 10 0 "[ . 1 . 2]"
1 50 CYS 0.091 0.020 6 0 "[ . 1 . 2]"
1 51 GLY 0.063 0.019 15 0 "[ . 1 . 2]"
1 52 LYS 0.035 0.005 6 0 "[ . 1 . 2]"
1 53 PHE 0.310 0.013 6 0 "[ . 1 . 2]"
1 54 HIS 0.120 0.035 6 0 "[ . 1 . 2]"
1 55 LEU 0.058 0.009 2 0 "[ . 1 . 2]"
1 56 LEU 1.266 0.101 2 0 "[ . 1 . 2]"
1 57 PRO 1.234 0.101 2 0 "[ . 1 . 2]"
1 58 ASP 0.010 0.008 2 0 "[ . 1 . 2]"
1 59 PHE 0.100 0.008 9 0 "[ . 1 . 2]"
1 60 ASP 0.036 0.017 9 0 "[ . 1 . 2]"
1 61 GLU 0.041 0.018 15 0 "[ . 1 . 2]"
1 62 GLY 0.022 0.018 15 0 "[ . 1 . 2]"
1 63 LYS 0.004 0.004 7 0 "[ . 1 . 2]"
1 64 ARG 0.030 0.008 3 0 "[ . 1 . 2]"
1 65 SER 0.040 0.008 3 0 "[ . 1 . 2]"
1 66 CYS 0.163 0.035 6 0 "[ . 1 . 2]"
1 67 ARG 0.024 0.008 9 0 "[ . 1 . 2]"
1 68 ARG 0.076 0.040 16 0 "[ . 1 . 2]"
1 69 LYS 0.073 0.040 16 0 "[ . 1 . 2]"
1 70 LEU 0.148 0.053 10 0 "[ . 1 . 2]"
1 71 GLU 0.090 0.036 20 0 "[ . 1 . 2]"
1 72 ARG 0.002 0.002 20 0 "[ . 1 . 2]"
1 73 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.212 0.040 14 0 "[ . 1 . 2]"
1 81 PRO 0.231 0.040 14 0 "[ . 1 . 2]"
1 82 VAL 1.202 0.139 12 0 "[ . 1 . 2]"
1 83 ASP 0.053 0.053 12 0 "[ . 1 . 2]"
1 84 LYS 0.002 0.002 5 0 "[ . 1 . 2]"
1 85 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLY 0.014 0.010 9 0 "[ . 1 . 2]"
1 87 VAL 0.175 0.054 7 0 "[ . 1 . 2]"
1 88 ALA 0.096 0.054 7 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 3 VAL HA 1 3 VAL QG 2.500 . 3.500 2.191 2.035 2.343 . 0 0 "[ . 1 . 2]" 1
2 1 3 VAL HA 1 3 VAL MG1 3.500 . 4.500 2.412 2.106 3.208 . 0 0 "[ . 1 . 2]" 1
3 1 3 VAL HA 1 3 VAL MG2 3.500 . 4.500 2.860 2.233 3.201 . 0 0 "[ . 1 . 2]" 1
4 1 3 VAL HA 1 4 ALA MB 3.500 . 4.500 4.032 3.964 4.311 . 0 0 "[ . 1 . 2]" 1
5 1 3 VAL HA 1 4 ALA H 2.000 . 2.800 2.219 2.137 2.608 . 0 0 "[ . 1 . 2]" 1
6 1 3 VAL HB 1 4 ALA H 3.500 . 4.500 3.688 2.279 4.425 . 0 0 "[ . 1 . 2]" 1
7 1 3 VAL QG 1 4 ALA H 3.500 . 4.500 3.258 2.153 3.743 . 0 0 "[ . 1 . 2]" 1
8 1 4 ALA HA 1 4 ALA MB 2.000 . 2.800 2.117 2.086 2.128 . 0 0 "[ . 1 . 2]" 1
9 1 4 ALA H 1 4 ALA MB 2.500 . 3.500 2.193 2.033 2.310 . 0 0 "[ . 1 . 2]" 1
10 1 4 ALA HA 1 5 ARG HA 5.000 2.500 6.000 4.364 4.324 4.425 . 0 0 "[ . 1 . 2]" 1
11 1 4 ALA HA 1 5 ARG HB3 5.000 2.500 6.000 4.670 4.432 4.996 . 0 0 "[ . 1 . 2]" 1
12 1 4 ALA HA 1 5 ARG H 2.000 . 2.800 2.195 2.141 2.332 . 0 0 "[ . 1 . 2]" 1
13 1 4 ALA MB 1 5 ARG H 3.500 . 4.500 3.411 3.067 3.652 . 0 0 "[ . 1 . 2]" 1
14 1 4 ALA H 1 5 ARG H 5.000 2.500 6.000 4.314 4.021 4.546 . 0 0 "[ . 1 . 2]" 1
15 1 4 ALA HA 1 15 ILE MD 5.000 2.500 6.000 2.979 2.491 3.453 0.009 7 0 "[ . 1 . 2]" 1
16 1 4 ALA MB 1 15 ILE HB 3.500 . 4.500 3.609 3.050 3.867 . 0 0 "[ . 1 . 2]" 1
17 1 4 ALA MB 1 15 ILE MD 2.500 . 3.500 1.944 1.691 2.489 . 0 0 "[ . 1 . 2]" 1
18 1 4 ALA MB 1 15 ILE QG 3.500 . 4.500 2.918 2.037 3.480 . 0 0 "[ . 1 . 2]" 1
19 1 4 ALA MB 1 15 ILE MG 5.000 2.500 6.000 4.559 4.129 4.773 . 0 0 "[ . 1 . 2]" 1
20 1 4 ALA MB 1 15 ILE H 5.000 2.500 6.000 4.667 4.125 5.062 . 0 0 "[ . 1 . 2]" 1
21 1 4 ALA MB 1 16 SER HA 2.500 . 3.500 2.407 1.988 3.178 . 0 0 "[ . 1 . 2]" 1
22 1 4 ALA MB 1 16 SER QB 3.500 . 4.500 4.097 3.485 4.505 0.005 14 0 "[ . 1 . 2]" 1
23 1 4 ALA MB 1 16 SER H 5.000 2.500 6.000 4.353 4.016 4.896 . 0 0 "[ . 1 . 2]" 1
24 1 4 ALA H 1 16 SER HA 5.000 2.500 6.000 3.818 2.881 4.769 . 0 0 "[ . 1 . 2]" 1
25 1 4 ALA H 1 16 SER QB 5.000 2.500 6.000 4.978 3.984 5.873 . 0 0 "[ . 1 . 2]" 1
26 1 5 ARG HA 1 5 ARG HB2 2.500 . 3.500 2.419 2.386 2.540 . 0 0 "[ . 1 . 2]" 1
27 1 5 ARG HA 1 5 ARG QD 3.500 . 4.500 3.518 2.748 4.320 . 0 0 "[ . 1 . 2]" 1
28 1 5 ARG HA 1 5 ARG QG 3.500 . 4.500 2.525 2.438 2.604 . 0 0 "[ . 1 . 2]" 1
29 1 5 ARG H 1 5 ARG HB3 3.500 . 4.500 2.950 2.875 3.082 . 0 0 "[ . 1 . 2]" 1
30 1 5 ARG HB2 1 5 ARG QD 3.500 . 4.500 2.676 1.970 3.411 0.030 9 0 "[ . 1 . 2]" 1
31 1 5 ARG H 1 5 ARG HB2 3.500 . 4.500 3.479 3.296 3.535 . 0 0 "[ . 1 . 2]" 1
32 1 5 ARG QD 1 5 ARG HE 3.500 . 4.500 2.246 2.189 2.473 . 0 0 "[ . 1 . 2]" 1
33 1 5 ARG HE 1 5 ARG QG 5.000 2.500 6.000 2.877 2.491 3.263 0.009 3 0 "[ . 1 . 2]" 1
34 1 5 ARG H 1 5 ARG QG 3.500 . 4.500 4.186 4.066 4.330 . 0 0 "[ . 1 . 2]" 1
35 1 5 ARG HA 1 6 CYS H 2.500 . 3.500 2.155 2.148 2.161 . 0 0 "[ . 1 . 2]" 1
36 1 5 ARG HB3 1 6 CYS H 5.000 2.500 6.000 4.366 4.212 4.429 . 0 0 "[ . 1 . 2]" 1
37 1 5 ARG HB2 1 6 CYS H 3.500 . 4.500 4.311 4.244 4.429 . 0 0 "[ . 1 . 2]" 1
38 1 5 ARG HA 1 14 ASP HA 5.000 2.500 6.000 2.990 2.579 3.445 . 0 0 "[ . 1 . 2]" 1
39 1 5 ARG HB2 1 14 ASP HA 3.500 . 4.500 3.578 3.311 4.066 . 0 0 "[ . 1 . 2]" 1
40 1 5 ARG QG 1 14 ASP HA 5.000 2.500 6.000 2.571 2.485 2.783 0.015 2 0 "[ . 1 . 2]" 1
41 1 5 ARG HA 1 15 ILE MD 3.500 . 4.500 3.472 3.130 3.779 . 0 0 "[ . 1 . 2]" 1
42 1 5 ARG HA 1 15 ILE QG 3.500 . 4.500 2.064 1.984 2.294 0.016 12 0 "[ . 1 . 2]" 1
43 1 5 ARG HA 1 15 ILE MG 5.000 2.500 6.000 4.100 3.843 4.508 . 0 0 "[ . 1 . 2]" 1
44 1 5 ARG HA 1 15 ILE H 3.500 . 4.500 2.273 1.991 2.907 0.009 11 0 "[ . 1 . 2]" 1
45 1 5 ARG H 1 15 ILE MD 3.500 . 4.500 3.065 2.769 3.294 . 0 0 "[ . 1 . 2]" 1
46 1 5 ARG H 1 15 ILE QG 5.000 2.500 6.000 3.251 3.005 3.750 . 0 0 "[ . 1 . 2]" 1
47 1 6 CYS H 1 6 CYS HB3 2.500 . 3.500 2.713 2.651 2.810 . 0 0 "[ . 1 . 2]" 1
48 1 6 CYS H 1 6 CYS HB2 2.500 . 3.500 2.381 2.300 2.430 . 0 0 "[ . 1 . 2]" 1
49 1 6 CYS HA 1 7 GLN H 2.500 . 3.500 2.185 2.167 2.205 . 0 0 "[ . 1 . 2]" 1
50 1 6 CYS HB3 1 7 GLN H 5.000 2.500 6.000 4.366 4.301 4.398 . 0 0 "[ . 1 . 2]" 1
51 1 6 CYS H 1 7 GLN H 5.000 2.500 6.000 4.242 4.182 4.288 . 0 0 "[ . 1 . 2]" 1
52 1 6 CYS HB3 1 12 GLU H 5.000 2.500 6.000 5.559 5.425 5.618 . 0 0 "[ . 1 . 2]" 1
53 1 6 CYS H 1 12 GLU HA 5.000 2.500 6.000 5.642 5.507 5.759 . 0 0 "[ . 1 . 2]" 1
54 1 6 CYS HB3 1 13 ALA H 2.500 . 3.500 1.939 1.894 1.969 . 0 0 "[ . 1 . 2]" 1
55 1 6 CYS HB2 1 13 ALA MB 2.500 . 3.500 2.360 2.159 2.683 . 0 0 "[ . 1 . 2]" 1
56 1 6 CYS HB2 1 13 ALA H 3.500 . 4.500 3.656 3.553 3.695 . 0 0 "[ . 1 . 2]" 1
57 1 6 CYS H 1 13 ALA MB 3.500 . 4.500 3.050 2.706 3.495 . 0 0 "[ . 1 . 2]" 1
58 1 6 CYS H 1 13 ALA H 3.500 . 4.500 4.122 3.868 4.250 . 0 0 "[ . 1 . 2]" 1
59 1 6 CYS HA 1 15 ILE MD 3.500 . 4.500 4.055 3.515 4.501 0.001 9 0 "[ . 1 . 2]" 1
60 1 6 CYS HA 1 15 ILE MG 5.000 2.500 6.000 4.822 4.357 5.560 . 0 0 "[ . 1 . 2]" 1
61 1 6 CYS HB2 1 15 ILE MD 5.000 2.500 6.000 3.907 3.323 4.222 . 0 0 "[ . 1 . 2]" 1
62 1 6 CYS HB2 1 15 ILE MG 3.500 . 4.500 3.020 2.642 3.600 . 0 0 "[ . 1 . 2]" 1
63 1 6 CYS H 1 15 ILE MD 3.500 . 4.500 3.526 3.048 3.886 . 0 0 "[ . 1 . 2]" 1
64 1 6 CYS H 1 15 ILE MG 3.500 . 4.500 3.325 3.055 3.876 . 0 0 "[ . 1 . 2]" 1
65 1 6 CYS H 1 15 ILE H 5.000 2.500 6.000 2.560 2.486 2.958 0.014 19 0 "[ . 1 . 2]" 1
66 1 6 CYS HA 1 26 ARG HA 5.000 2.500 6.000 3.773 3.608 4.013 . 0 0 "[ . 1 . 2]" 1
67 1 6 CYS HA 1 27 VAL HA 3.500 . 4.500 2.163 1.996 2.431 0.004 20 0 "[ . 1 . 2]" 1
68 1 6 CYS HA 1 27 VAL MG2 5.000 2.500 6.000 4.032 3.855 4.298 . 0 0 "[ . 1 . 2]" 1
69 1 6 CYS HB3 1 27 VAL HA 5.000 2.500 6.000 4.006 3.826 4.177 . 0 0 "[ . 1 . 2]" 1
70 1 6 CYS HB2 1 27 VAL HA 5.000 2.500 6.000 2.788 2.577 2.957 . 0 0 "[ . 1 . 2]" 1
71 1 6 CYS HA 1 28 CYS H 5.000 2.500 6.000 3.741 3.422 3.961 . 0 0 "[ . 1 . 2]" 1
72 1 6 CYS HB3 1 28 CYS QB 3.500 . 4.500 3.272 3.119 3.536 . 0 0 "[ . 1 . 2]" 1
73 1 6 CYS HB3 1 28 CYS H 5.000 2.500 6.000 3.806 3.510 4.123 . 0 0 "[ . 1 . 2]" 1
74 1 6 CYS HB2 1 28 CYS HB3 3.500 . 4.500 2.309 2.185 2.425 . 0 0 "[ . 1 . 2]" 1
75 1 6 CYS HB2 1 28 CYS HB2 3.500 . 4.500 4.022 3.891 4.157 . 0 0 "[ . 1 . 2]" 1
76 1 6 CYS HB2 1 28 CYS H 3.500 . 4.500 2.413 1.997 2.833 0.003 9 0 "[ . 1 . 2]" 1
77 1 7 GLN HA 1 7 GLN QB 2.500 . 3.500 2.174 2.161 2.177 . 0 0 "[ . 1 . 2]" 1
78 1 7 GLN QB 1 7 GLN QE 3.500 . 4.500 3.541 3.188 3.609 . 0 0 "[ . 1 . 2]" 1
79 1 7 GLN QB 1 7 GLN QG 2.000 . 2.800 2.021 1.971 2.068 . 0 0 "[ . 1 . 2]" 1
80 1 7 GLN QB 1 7 GLN HG3 2.000 . 2.800 2.452 2.204 2.529 . 0 0 "[ . 1 . 2]" 1
81 1 7 GLN QB 1 7 GLN HG2 2.000 . 2.800 2.169 2.128 2.474 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLN H 1 7 GLN QB 3.500 . 4.500 2.718 2.608 2.904 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLN H 1 7 GLN QE 5.000 2.500 6.000 3.673 2.943 3.920 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLN QE 1 7 GLN QG 2.500 . 3.500 2.103 2.071 2.148 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLN H 1 7 GLN QG 2.500 . 3.500 1.883 1.800 2.088 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLN HA 1 8 VAL H 3.500 . 4.500 2.799 2.770 2.826 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLN QB 1 8 VAL H 3.500 . 4.500 4.052 4.017 4.071 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLN QG 1 8 VAL H 5.000 2.500 6.000 4.032 3.842 4.615 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLN QE 1 26 ARG QB 3.500 . 4.500 3.317 2.286 3.773 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLN QE 1 26 ARG HB3 5.000 2.500 6.000 3.809 2.609 4.268 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLN QE 1 26 ARG HB2 5.000 2.500 6.000 3.711 2.527 4.680 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLN H 1 26 ARG QB 5.000 2.500 6.000 2.592 2.496 2.756 0.004 9 0 "[ . 1 . 2]" 1
93 1 7 GLN QE 1 27 VAL HB 5.000 2.500 6.000 5.235 5.044 5.416 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLN QE 1 27 VAL MG1 5.000 2.500 6.000 5.984 5.726 6.014 0.014 19 0 "[ . 1 . 2]" 1
95 1 7 GLN QE 1 27 VAL MG2 5.000 2.500 6.000 5.699 5.159 6.003 0.003 19 0 "[ . 1 . 2]" 1
96 1 7 GLN QG 1 27 VAL HA 5.000 2.500 6.000 4.960 4.795 5.305 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLN H 1 27 VAL HA 3.500 . 4.500 3.948 3.848 4.062 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLN H 1 27 VAL MG1 5.000 2.500 6.000 5.871 5.727 5.961 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLN H 1 27 VAL MG2 5.000 2.500 6.000 5.296 5.097 5.516 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLN QB 1 39 LEU QD 5.000 2.500 6.000 5.554 5.013 5.762 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLN QB 1 53 PHE QE 5.000 2.500 6.000 6.002 5.930 6.013 0.013 6 0 "[ . 1 . 2]" 1
102 1 7 GLN QE 1 53 PHE QD 5.000 2.500 6.000 3.310 2.891 4.761 . 0 0 "[ . 1 . 2]" 1
103 1 7 GLN QE 1 53 PHE QE 3.500 . 4.500 3.416 2.838 4.504 0.004 10 0 "[ . 1 . 2]" 1
104 1 8 VAL HA 1 8 VAL MG1 2.000 . 2.800 2.311 2.180 2.393 . 0 0 "[ . 1 . 2]" 1
105 1 8 VAL HA 1 8 VAL MG2 2.000 . 2.800 2.516 2.475 2.560 . 0 0 "[ . 1 . 2]" 1
106 1 8 VAL HB 1 8 VAL MG1 2.000 . 2.800 2.097 2.084 2.126 . 0 0 "[ . 1 . 2]" 1
107 1 8 VAL HB 1 8 VAL MG2 2.000 . 2.800 2.120 2.116 2.126 . 0 0 "[ . 1 . 2]" 1
108 1 8 VAL H 1 8 VAL HB 2.500 . 3.500 2.622 2.566 2.675 . 0 0 "[ . 1 . 2]" 1
109 1 8 VAL H 1 8 VAL QG 2.500 . 3.500 2.152 2.061 2.255 . 0 0 "[ . 1 . 2]" 1
110 1 8 VAL HA 1 9 PRO QD 2.000 . 2.800 1.918 1.855 1.987 . 0 0 "[ . 1 . 2]" 1
111 1 8 VAL QG 1 9 PRO HD3 3.500 . 4.500 3.321 3.157 3.436 . 0 0 "[ . 1 . 2]" 1
112 1 8 VAL QG 1 9 PRO HD2 3.500 . 4.500 2.010 1.989 2.128 0.011 7 0 "[ . 1 . 2]" 1
113 1 8 VAL QG 1 10 ASP QB 3.500 . 4.500 3.651 2.824 3.852 . 0 0 "[ . 1 . 2]" 1
114 1 8 VAL QG 1 10 ASP H 5.000 2.500 6.000 2.487 2.480 2.493 0.020 10 0 "[ . 1 . 2]" 1
115 1 8 VAL HB 1 11 CYS HB3 2.500 . 3.500 1.980 1.936 2.154 . 0 0 "[ . 1 . 2]" 1
116 1 8 VAL HB 1 11 CYS HB2 3.500 . 4.500 3.603 3.558 3.758 . 0 0 "[ . 1 . 2]" 1
117 1 8 VAL HB 1 11 CYS H 3.500 . 4.500 2.488 2.360 2.688 . 0 0 "[ . 1 . 2]" 1
118 1 8 VAL QG 1 11 CYS HB2 3.500 . 4.500 3.339 3.250 3.670 . 0 0 "[ . 1 . 2]" 1
119 1 8 VAL QG 1 11 CYS H 2.500 . 3.500 2.361 2.116 2.531 . 0 0 "[ . 1 . 2]" 1
120 1 8 VAL MG1 1 11 CYS HB3 3.500 . 4.500 2.632 2.495 2.953 . 0 0 "[ . 1 . 2]" 1
121 1 8 VAL MG2 1 11 CYS HB3 3.500 . 4.500 2.937 2.870 3.045 . 0 0 "[ . 1 . 2]" 1
122 1 8 VAL H 1 11 CYS HB3 3.500 . 4.500 4.226 4.185 4.356 . 0 0 "[ . 1 . 2]" 1
123 1 8 VAL H 1 11 CYS H 5.000 2.500 6.000 4.371 4.277 4.461 . 0 0 "[ . 1 . 2]" 1
124 1 8 VAL QG 1 31 CYS HB3 3.500 . 4.500 3.867 3.634 4.059 . 0 0 "[ . 1 . 2]" 1
125 1 8 VAL QG 1 37 VAL HB 2.500 . 3.500 2.681 2.364 2.922 . 0 0 "[ . 1 . 2]" 1
126 1 8 VAL QG 1 37 VAL QG 2.000 . 2.800 2.300 1.884 2.574 . 0 0 "[ . 1 . 2]" 1
127 1 8 VAL QG 1 38 VAL H 3.500 . 4.500 4.400 4.116 4.507 0.007 3 0 "[ . 1 . 2]" 1
128 1 8 VAL HA 1 39 LEU QD 2.500 . 3.500 2.854 2.310 3.185 . 0 0 "[ . 1 . 2]" 1
129 1 8 VAL HA 1 39 LEU MD1 3.500 . 4.500 2.890 2.317 3.257 . 0 0 "[ . 1 . 2]" 1
130 1 8 VAL HA 1 39 LEU MD2 3.500 . 4.500 4.499 4.405 4.520 0.020 4 0 "[ . 1 . 2]" 1
131 1 8 VAL HA 1 39 LEU HG 5.000 2.500 6.000 3.775 3.531 3.964 . 0 0 "[ . 1 . 2]" 1
132 1 8 VAL QG 1 39 LEU QB 2.500 . 3.500 3.515 3.507 3.532 0.032 16 0 "[ . 1 . 2]" 1
133 1 8 VAL MG1 1 39 LEU QD 3.500 . 4.500 2.048 1.988 2.364 0.012 4 0 "[ . 1 . 2]" 1
134 1 8 VAL MG2 1 39 LEU QD 3.500 . 4.500 2.736 2.574 2.890 . 0 0 "[ . 1 . 2]" 1
135 1 8 VAL QG 1 53 PHE QE 2.500 . 3.500 2.270 1.926 2.504 . 0 0 "[ . 1 . 2]" 1
136 1 8 VAL QG 1 53 PHE HZ 2.500 . 3.500 2.820 2.631 2.942 . 0 0 "[ . 1 . 2]" 1
137 1 9 PRO HA 1 9 PRO QG 2.500 . 3.500 3.236 2.806 3.468 . 0 0 "[ . 1 . 2]" 1
138 1 9 PRO QB 1 9 PRO QD 3.500 . 4.500 2.811 2.782 2.847 . 0 0 "[ . 1 . 2]" 1
139 1 9 PRO QB 1 9 PRO HD3 5.000 2.500 6.000 3.138 2.908 3.512 . 0 0 "[ . 1 . 2]" 1
140 1 9 PRO QB 1 9 PRO HD2 5.000 2.500 6.000 3.347 2.922 3.550 . 0 0 "[ . 1 . 2]" 1
141 1 9 PRO QB 1 9 PRO QG 2.000 . 2.800 1.963 1.954 1.976 . 0 0 "[ . 1 . 2]" 1
142 1 9 PRO HD3 1 9 PRO QG 2.500 . 3.500 2.223 2.178 2.250 . 0 0 "[ . 1 . 2]" 1
143 1 9 PRO HD2 1 9 PRO QG 2.500 . 3.500 2.195 2.182 2.224 . 0 0 "[ . 1 . 2]" 1
144 1 9 PRO QD 1 39 LEU HA 5.000 2.500 6.000 2.944 2.494 3.215 0.006 10 0 "[ . 1 . 2]" 1
145 1 9 PRO QD 1 39 LEU HG 3.500 . 4.500 2.040 1.979 2.099 0.021 1 0 "[ . 1 . 2]" 1
146 1 9 PRO HD3 1 39 LEU MD1 3.500 . 4.500 3.589 2.602 3.933 . 0 0 "[ . 1 . 2]" 1
147 1 9 PRO HD3 1 39 LEU MD2 3.500 . 4.500 3.785 3.582 3.942 . 0 0 "[ . 1 . 2]" 1
148 1 9 PRO HD2 1 39 LEU MD1 3.500 . 4.500 2.506 2.002 3.116 . 0 0 "[ . 1 . 2]" 1
149 1 9 PRO HD2 1 39 LEU MD2 3.500 . 4.500 3.459 3.280 3.795 . 0 0 "[ . 1 . 2]" 1
150 1 9 PRO QG 1 39 LEU QD 5.000 2.500 6.000 2.940 2.650 3.261 . 0 0 "[ . 1 . 2]" 1
151 1 10 ASP HA 1 10 ASP QB 2.500 . 3.500 2.194 2.181 2.299 . 0 0 "[ . 1 . 2]" 1
152 1 10 ASP H 1 10 ASP QB 5.000 2.500 6.000 2.629 2.512 2.705 . 0 0 "[ . 1 . 2]" 1
153 1 10 ASP QB 1 11 CYS H 3.500 . 4.500 3.576 2.895 3.761 . 0 0 "[ . 1 . 2]" 1
154 1 11 CYS HA 1 11 CYS HB3 2.500 . 3.500 3.025 3.023 3.025 . 0 0 "[ . 1 . 2]" 1
155 1 11 CYS HA 1 11 CYS HB2 2.500 . 3.500 2.448 2.427 2.487 . 0 0 "[ . 1 . 2]" 1
156 1 11 CYS H 1 11 CYS HA 2.500 . 3.500 2.939 2.926 2.945 . 0 0 "[ . 1 . 2]" 1
157 1 11 CYS H 1 11 CYS HB3 2.000 . 2.800 2.723 2.656 2.802 0.002 18 0 "[ . 1 . 2]" 1
158 1 11 CYS H 1 11 CYS HB2 2.500 . 3.500 3.195 3.139 3.267 . 0 0 "[ . 1 . 2]" 1
159 1 11 CYS HA 1 12 GLU H 3.500 . 4.500 2.222 2.175 2.284 . 0 0 "[ . 1 . 2]" 1
160 1 11 CYS HB3 1 12 GLU H 3.500 . 4.500 4.468 4.441 4.490 . 0 0 "[ . 1 . 2]" 1
161 1 11 CYS HB2 1 13 ALA H 5.000 2.500 6.000 5.544 5.438 5.709 . 0 0 "[ . 1 . 2]" 1
162 1 12 GLU HA 1 12 GLU QB 2.000 . 2.800 2.428 2.181 2.542 . 0 0 "[ . 1 . 2]" 1
163 1 12 GLU H 1 12 GLU HA 2.500 . 3.500 2.927 2.919 2.935 . 0 0 "[ . 1 . 2]" 1
164 1 12 GLU H 1 12 GLU HB3 3.500 . 4.500 3.120 2.517 3.669 . 0 0 "[ . 1 . 2]" 1
165 1 12 GLU H 1 12 GLU HB2 3.500 . 4.500 2.568 2.217 3.649 . 0 0 "[ . 1 . 2]" 1
166 1 12 GLU H 1 12 GLU QG 3.500 . 4.500 3.440 2.085 4.114 . 0 0 "[ . 1 . 2]" 1
167 1 12 GLU HA 1 13 ALA H 3.500 . 4.500 2.368 2.315 2.401 . 0 0 "[ . 1 . 2]" 1
168 1 12 GLU H 1 13 ALA H 3.500 . 4.500 3.767 3.708 3.833 . 0 0 "[ . 1 . 2]" 1
169 1 13 ALA HA 1 13 ALA MB 2.000 . 2.800 2.098 2.094 2.126 . 0 0 "[ . 1 . 2]" 1
170 1 13 ALA H 1 13 ALA MB 2.500 . 3.500 2.227 2.138 2.295 . 0 0 "[ . 1 . 2]" 1
171 1 13 ALA HA 1 14 ASP H 2.000 . 2.800 2.289 2.211 2.343 . 0 0 "[ . 1 . 2]" 1
172 1 13 ALA MB 1 14 ASP H 2.500 . 3.500 2.699 2.462 2.886 . 0 0 "[ . 1 . 2]" 1
173 1 13 ALA MB 1 15 ILE MG 2.500 . 3.500 2.579 2.300 2.828 . 0 0 "[ . 1 . 2]" 1
174 1 13 ALA MB 1 15 ILE H 5.000 2.500 6.000 3.363 2.729 3.957 . 0 0 "[ . 1 . 2]" 1
175 1 13 ALA H 1 15 ILE MG 5.000 2.500 6.000 5.174 4.987 5.386 . 0 0 "[ . 1 . 2]" 1
176 1 13 ALA MB 1 28 CYS QB 2.500 . 3.500 2.132 1.971 2.435 . 0 0 "[ . 1 . 2]" 1
177 1 13 ALA MB 1 28 CYS HB3 3.500 . 4.500 2.167 1.998 2.501 0.002 3 0 "[ . 1 . 2]" 1
178 1 13 ALA MB 1 28 CYS HB2 3.500 . 4.500 3.176 3.005 3.352 . 0 0 "[ . 1 . 2]" 1
179 1 14 ASP HA 1 14 ASP HB2 2.500 . 3.500 2.536 2.464 2.696 . 0 0 "[ . 1 . 2]" 1
180 1 14 ASP H 1 14 ASP HB3 2.500 . 3.500 2.702 2.563 2.976 . 0 0 "[ . 1 . 2]" 1
181 1 14 ASP H 1 14 ASP HB2 2.500 . 3.500 2.845 2.580 3.073 . 0 0 "[ . 1 . 2]" 1
182 1 14 ASP HA 1 15 ILE MD 5.000 2.500 6.000 5.503 5.446 5.604 . 0 0 "[ . 1 . 2]" 1
183 1 14 ASP HA 1 15 ILE MG 5.000 2.500 6.000 4.402 4.125 4.763 . 0 0 "[ . 1 . 2]" 1
184 1 14 ASP HA 1 15 ILE H 2.500 . 3.500 2.423 2.248 2.727 . 0 0 "[ . 1 . 2]" 1
185 1 14 ASP HA 1 16 SER H 5.000 2.500 6.000 4.029 3.456 4.376 . 0 0 "[ . 1 . 2]" 1
186 1 15 ILE HA 1 15 ILE HB 2.500 . 3.500 2.495 2.462 2.532 . 0 0 "[ . 1 . 2]" 1
187 1 15 ILE HA 1 15 ILE MD 3.500 . 4.500 4.043 3.934 4.154 . 0 0 "[ . 1 . 2]" 1
188 1 15 ILE HA 1 15 ILE QG 5.000 2.500 6.000 3.308 3.297 3.322 . 0 0 "[ . 1 . 2]" 1
189 1 15 ILE HA 1 15 ILE MG 2.000 . 2.800 2.232 2.130 2.344 . 0 0 "[ . 1 . 2]" 1
190 1 15 ILE H 1 15 ILE HA 5.000 2.500 6.000 2.884 2.830 2.928 . 0 0 "[ . 1 . 2]" 1
191 1 15 ILE HB 1 15 ILE MD 2.500 . 3.500 2.184 2.032 2.262 . 0 0 "[ . 1 . 2]" 1
192 1 15 ILE HB 1 15 ILE QG 3.500 . 4.500 2.522 2.409 2.543 . 0 0 "[ . 1 . 2]" 1
193 1 15 ILE H 1 15 ILE HB 3.500 . 4.500 3.629 3.596 3.675 . 0 0 "[ . 1 . 2]" 1
194 1 15 ILE H 1 15 ILE QG 3.500 . 4.500 2.054 1.989 2.215 0.011 10 0 "[ . 1 . 2]" 1
195 1 15 ILE H 1 15 ILE MG 2.000 . 2.800 2.601 2.325 2.808 0.008 13 0 "[ . 1 . 2]" 1
196 1 15 ILE HA 1 16 SER H 5.000 2.500 6.000 2.606 2.470 2.917 0.030 1 0 "[ . 1 . 2]" 1
197 1 15 ILE MD 1 16 SER H 5.000 2.500 6.000 4.949 4.721 5.358 . 0 0 "[ . 1 . 2]" 1
198 1 15 ILE QG 1 16 SER H 5.000 2.500 6.000 3.991 3.545 4.212 . 0 0 "[ . 1 . 2]" 1
199 1 15 ILE MG 1 16 SER H 5.000 2.500 6.000 4.318 4.271 4.372 . 0 0 "[ . 1 . 2]" 1
200 1 15 ILE H 1 16 SER H 3.500 . 4.500 3.508 2.912 3.835 . 0 0 "[ . 1 . 2]" 1
201 1 15 ILE HA 1 17 GLU H 5.000 2.500 6.000 3.248 3.122 3.405 . 0 0 "[ . 1 . 2]" 1
202 1 15 ILE HA 1 18 LEU QB 3.500 . 4.500 3.466 2.523 4.407 . 0 0 "[ . 1 . 2]" 1
203 1 15 ILE HA 1 18 LEU QD 2.500 . 3.500 3.034 2.043 3.511 0.011 13 0 "[ . 1 . 2]" 1
204 1 15 ILE HA 1 18 LEU H 5.000 2.500 6.000 4.284 2.880 5.363 . 0 0 "[ . 1 . 2]" 1
205 1 15 ILE HB 1 18 LEU QB 3.500 . 4.500 2.130 1.974 2.515 0.026 18 0 "[ . 1 . 2]" 1
206 1 15 ILE HB 1 18 LEU QD 2.500 . 3.500 2.176 1.734 2.691 . 0 0 "[ . 1 . 2]" 1
207 1 15 ILE HB 1 23 LYS HA 5.000 2.500 6.000 4.348 3.613 5.228 . 0 0 "[ . 1 . 2]" 1
208 1 15 ILE MD 1 23 LYS HA 2.500 . 3.500 2.212 1.854 3.009 . 0 0 "[ . 1 . 2]" 1
209 1 15 ILE MD 1 26 ARG HA 2.500 . 3.500 2.989 2.681 3.253 . 0 0 "[ . 1 . 2]" 1
210 1 15 ILE MD 1 26 ARG QG 3.500 . 4.500 4.503 4.433 4.515 0.015 14 0 "[ . 1 . 2]" 1
211 1 15 ILE HB 1 27 VAL H 5.000 2.500 6.000 5.606 5.304 5.999 . 0 0 "[ . 1 . 2]" 1
212 1 15 ILE MG 1 28 CYS HA 2.000 . 2.800 1.955 1.820 2.791 . 0 0 "[ . 1 . 2]" 1
213 1 15 ILE MG 1 28 CYS QB 2.500 . 3.500 1.995 1.892 2.163 . 0 0 "[ . 1 . 2]" 1
214 1 15 ILE MG 1 28 CYS HB3 2.500 . 3.500 2.173 2.027 2.412 . 0 0 "[ . 1 . 2]" 1
215 1 15 ILE MG 1 28 CYS HB2 2.500 . 3.500 2.337 2.143 2.564 . 0 0 "[ . 1 . 2]" 1
216 1 15 ILE MG 1 28 CYS H 3.500 . 4.500 3.691 3.387 4.445 . 0 0 "[ . 1 . 2]" 1
217 1 16 SER HA 1 16 SER QB 2.000 . 2.800 2.331 2.177 2.520 . 0 0 "[ . 1 . 2]" 1
218 1 16 SER H 1 16 SER QB 3.500 . 4.500 2.483 2.113 2.833 . 0 0 "[ . 1 . 2]" 1
219 1 16 SER HA 1 17 GLU H 3.500 . 4.500 3.271 2.886 3.489 . 0 0 "[ . 1 . 2]" 1
220 1 16 SER QB 1 17 GLU H 5.000 2.500 6.000 3.445 2.817 4.045 . 0 0 "[ . 1 . 2]" 1
221 1 16 SER H 1 17 GLU H 3.500 . 4.500 2.629 2.300 2.924 . 0 0 "[ . 1 . 2]" 1
222 1 17 GLU HA 1 17 GLU QB 2.500 . 3.500 2.393 2.173 2.530 . 0 0 "[ . 1 . 2]" 1
223 1 17 GLU HA 1 17 GLU QG 2.500 . 3.500 2.577 2.088 3.404 . 0 0 "[ . 1 . 2]" 1
224 1 17 GLU H 1 17 GLU QB 2.500 . 3.500 2.695 2.263 3.325 . 0 0 "[ . 1 . 2]" 1
225 1 17 GLU H 1 17 GLU QG 3.500 . 4.500 3.351 2.172 4.424 . 0 0 "[ . 1 . 2]" 1
226 1 17 GLU HA 1 18 LEU H 3.500 . 4.500 2.874 2.347 3.472 . 0 0 "[ . 1 . 2]" 1
227 1 17 GLU QG 1 18 LEU H 5.000 2.500 6.000 4.370 3.583 4.773 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLU H 1 18 LEU QD 5.000 2.500 6.000 3.812 2.920 4.859 . 0 0 "[ . 1 . 2]" 1
229 1 17 GLU H 1 18 LEU H 2.500 . 3.500 2.537 1.988 3.505 0.005 1 0 "[ . 1 . 2]" 1
230 1 18 LEU HA 1 18 LEU QB 2.000 . 2.800 2.508 2.404 2.539 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HA 1 18 LEU QD 2.000 . 2.800 2.128 1.948 2.515 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU QB 1 18 LEU QD 2.000 . 2.800 1.915 1.852 1.946 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU H 1 18 LEU HB3 2.500 . 3.500 3.113 2.743 3.440 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU QD 1 18 LEU HG 2.000 . 2.800 1.874 1.862 1.894 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU H 1 18 LEU QD 3.500 . 4.500 3.319 2.887 3.870 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU H 1 18 LEU HB2 2.500 . 3.500 2.366 2.083 2.944 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU MD1 1 18 LEU HG 2.000 . 2.800 2.105 2.091 2.127 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU H 1 18 LEU MD1 3.500 . 4.500 3.470 2.941 4.213 . 0 0 "[ . 1 . 2]" 1
239 1 18 LEU MD2 1 18 LEU HG 2.000 . 2.800 2.102 2.084 2.129 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU H 1 18 LEU MD2 3.500 . 4.500 4.322 4.104 4.513 0.013 1 0 "[ . 1 . 2]" 1
241 1 18 LEU HA 1 19 LYS H 2.000 . 2.800 2.381 2.140 2.675 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU QB 1 19 LYS H 3.500 . 4.500 2.947 2.220 3.845 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU QD 1 19 LYS H 3.500 . 4.500 3.178 2.387 3.608 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU HG 1 19 LYS H 2.500 . 3.500 2.621 1.992 3.406 . 0 0 "[ . 1 . 2]" 1
245 1 18 LEU H 1 19 LYS H 5.000 2.500 6.000 4.496 4.178 4.647 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU HA 1 22 HIS HD1 5.000 2.500 6.000 5.417 4.916 6.007 0.007 1 0 "[ . 1 . 2]" 1
247 1 18 LEU QB 1 22 HIS HD1 3.500 . 4.500 2.964 2.168 4.246 . 0 0 "[ . 1 . 2]" 1
248 1 18 LEU QD 1 22 HIS HB3 3.500 . 4.500 4.485 3.971 4.522 0.022 17 0 "[ . 1 . 2]" 1
249 1 18 LEU QD 1 22 HIS HD1 3.500 . 4.500 2.488 2.468 2.614 . 0 0 "[ . 1 . 2]" 1
250 1 18 LEU QD 1 22 HIS HB2 3.500 . 4.500 3.574 2.580 3.765 . 0 0 "[ . 1 . 2]" 1
251 1 18 LEU MD1 1 22 HIS HD1 5.000 2.500 6.000 4.603 4.327 4.820 . 0 0 "[ . 1 . 2]" 1
252 1 18 LEU MD2 1 22 HIS HD1 5.000 2.500 6.000 2.499 2.480 2.626 0.020 16 0 "[ . 1 . 2]" 1
253 1 18 LEU QD 1 23 LYS HA 5.000 2.500 6.000 3.833 2.873 4.339 . 0 0 "[ . 1 . 2]" 1
254 1 18 LEU QD 1 28 CYS HA 2.000 . 2.800 2.521 2.133 2.732 . 0 0 "[ . 1 . 2]" 1
255 1 18 LEU QD 1 28 CYS QB 3.500 . 4.500 3.126 2.852 3.360 . 0 0 "[ . 1 . 2]" 1
256 1 18 LEU QD 1 29 LEU HA 5.000 2.500 6.000 3.603 3.347 3.987 . 0 0 "[ . 1 . 2]" 1
257 1 18 LEU QD 1 29 LEU QB 3.500 . 4.500 2.422 1.996 2.938 0.004 7 0 "[ . 1 . 2]" 1
258 1 18 LEU QD 1 29 LEU QD 3.500 . 4.500 3.152 2.648 3.632 . 0 0 "[ . 1 . 2]" 1
259 1 18 LEU QD 1 29 LEU H 3.500 . 4.500 2.296 1.998 2.710 0.002 12 0 "[ . 1 . 2]" 1
260 1 19 LYS H 1 19 LYS QB 2.500 . 3.500 2.834 2.304 3.254 . 0 0 "[ . 1 . 2]" 1
261 1 19 LYS H 1 19 LYS QG 2.500 . 3.500 2.737 1.971 3.398 . 0 0 "[ . 1 . 2]" 1
262 1 19 LYS HA 1 20 GLY H 2.500 . 3.500 2.209 2.145 2.352 . 0 0 "[ . 1 . 2]" 1
263 1 19 LYS HB3 1 20 GLY H 3.500 . 4.500 3.699 2.627 4.338 . 0 0 "[ . 1 . 2]" 1
264 1 19 LYS HB2 1 20 GLY H 3.500 . 4.500 3.734 2.583 4.540 0.040 1 0 "[ . 1 . 2]" 1
265 1 19 LYS QG 1 20 GLY H 5.000 2.500 6.000 4.161 3.677 4.637 . 0 0 "[ . 1 . 2]" 1
266 1 19 LYS H 1 22 HIS HD1 5.000 2.500 6.000 4.515 3.513 5.536 . 0 0 "[ . 1 . 2]" 1
267 1 19 LYS HA 1 23 LYS HB2 3.500 . 4.500 3.379 2.820 4.506 0.006 1 0 "[ . 1 . 2]" 1
268 1 20 GLY H 1 23 LYS HB2 5.000 2.500 6.000 3.297 2.527 4.508 . 0 0 "[ . 1 . 2]" 1
269 1 21 TYR HA 1 21 TYR HB3 2.500 . 3.500 2.391 2.347 2.504 . 0 0 "[ . 1 . 2]" 1
270 1 21 TYR HA 1 21 TYR HB2 2.500 . 3.500 2.522 2.403 2.573 . 0 0 "[ . 1 . 2]" 1
271 1 21 TYR HA 1 21 TYR QD 3.500 . 4.500 3.727 3.710 3.741 . 0 0 "[ . 1 . 2]" 1
272 1 21 TYR QB 1 21 TYR QD 2.500 . 3.500 2.137 2.135 2.142 . 0 0 "[ . 1 . 2]" 1
273 1 21 TYR HA 1 22 HIS H 5.000 2.500 6.000 3.488 3.166 3.552 . 0 0 "[ . 1 . 2]" 1
274 1 21 TYR QB 1 22 HIS H 3.500 . 4.500 3.465 3.214 3.962 . 0 0 "[ . 1 . 2]" 1
275 1 21 TYR QD 1 22 HIS HA 3.500 . 4.500 2.862 2.632 3.542 . 0 0 "[ . 1 . 2]" 1
276 1 21 TYR QD 1 22 HIS HE1 5.000 2.500 6.000 5.608 5.131 5.999 . 0 0 "[ . 1 . 2]" 1
277 1 21 TYR QE 1 22 HIS HD1 5.000 2.500 6.000 3.253 2.639 3.816 . 0 0 "[ . 1 . 2]" 1
278 1 21 TYR QE 1 22 HIS HE1 5.000 2.500 6.000 4.894 4.086 5.400 . 0 0 "[ . 1 . 2]" 1
279 1 21 TYR HA 1 24 ARG HB3 3.500 . 4.500 4.212 3.820 4.503 0.003 8 0 "[ . 1 . 2]" 1
280 1 21 TYR HA 1 24 ARG HB2 3.500 . 4.500 4.372 3.708 4.504 0.004 5 0 "[ . 1 . 2]" 1
281 1 21 TYR HA 1 24 ARG QG 5.000 2.500 6.000 5.844 5.240 6.001 0.001 9 0 "[ . 1 . 2]" 1
282 1 21 TYR HA 1 24 ARG H 5.000 2.500 6.000 3.597 3.474 3.682 . 0 0 "[ . 1 . 2]" 1
283 1 21 TYR HA 1 25 HIS HD2 5.000 2.500 6.000 4.042 3.695 4.537 . 0 0 "[ . 1 . 2]" 1
284 1 21 TYR QB 1 25 HIS HD2 3.500 . 4.500 3.284 2.658 3.754 . 0 0 "[ . 1 . 2]" 1
285 1 21 TYR QD 1 25 HIS HB2 5.000 2.500 6.000 4.509 4.122 4.863 . 0 0 "[ . 1 . 2]" 1
286 1 21 TYR QD 1 25 HIS HD2 3.500 . 4.500 3.846 2.982 4.505 0.005 10 0 "[ . 1 . 2]" 1
287 1 21 TYR QD 1 27 VAL MG1 3.500 . 4.500 4.098 3.808 4.361 . 0 0 "[ . 1 . 2]" 1
288 1 21 TYR QD 1 27 VAL MG2 5.000 2.500 6.000 5.810 5.435 6.002 0.002 1 0 "[ . 1 . 2]" 1
289 1 21 TYR QE 1 27 VAL MG1 3.500 . 4.500 4.355 3.894 4.509 0.009 1 0 "[ . 1 . 2]" 1
290 1 21 TYR QE 1 27 VAL MG2 5.000 2.500 6.000 5.357 4.982 5.585 . 0 0 "[ . 1 . 2]" 1
291 1 21 TYR QD 1 32 ALA MB 5.000 2.500 6.000 3.903 3.427 4.297 . 0 0 "[ . 1 . 2]" 1
292 1 21 TYR QE 1 32 ALA MB 2.500 . 3.500 2.126 1.876 2.876 . 0 0 "[ . 1 . 2]" 1
293 1 21 TYR QB 1 46 TYR QE 5.000 2.500 6.000 4.742 3.953 5.440 . 0 0 "[ . 1 . 2]" 1
294 1 21 TYR QD 1 46 TYR QE 5.000 2.500 6.000 3.500 2.543 3.908 . 0 0 "[ . 1 . 2]" 1
295 1 21 TYR QE 1 46 TYR QE 3.500 . 4.500 3.206 2.171 4.048 . 0 0 "[ . 1 . 2]" 1
296 1 22 HIS HA 1 22 HIS QB 2.500 . 3.500 2.174 2.168 2.186 . 0 0 "[ . 1 . 2]" 1
297 1 22 HIS HA 1 22 HIS HD1 3.500 . 4.500 3.883 3.162 3.942 . 0 0 "[ . 1 . 2]" 1
298 1 22 HIS H 1 22 HIS QB 3.500 . 4.500 2.732 2.678 2.920 . 0 0 "[ . 1 . 2]" 1
299 1 22 HIS HA 1 23 LYS H 3.500 . 4.500 3.395 3.307 3.474 . 0 0 "[ . 1 . 2]" 1
300 1 22 HIS HB3 1 23 LYS H 5.000 2.500 6.000 4.363 4.261 4.479 . 0 0 "[ . 1 . 2]" 1
301 1 22 HIS HD1 1 23 LYS H 5.000 2.500 6.000 2.571 2.482 4.101 0.018 16 0 "[ . 1 . 2]" 1
302 1 22 HIS HB2 1 23 LYS H 5.000 2.500 6.000 3.930 3.105 4.165 . 0 0 "[ . 1 . 2]" 1
303 1 22 HIS HA 1 24 ARG H 5.000 2.500 6.000 4.222 3.949 4.396 . 0 0 "[ . 1 . 2]" 1
304 1 22 HIS HA 1 25 HIS HB2 5.000 2.500 6.000 2.602 2.494 3.193 0.006 20 0 "[ . 1 . 2]" 1
305 1 22 HIS HA 1 25 HIS HD2 3.500 . 4.500 3.657 3.145 4.082 . 0 0 "[ . 1 . 2]" 1
306 1 22 HIS HA 1 25 HIS H 3.500 . 4.500 3.956 3.700 4.175 . 0 0 "[ . 1 . 2]" 1
307 1 22 HIS HA 1 27 VAL MG1 2.000 . 2.800 2.287 2.005 2.463 . 0 0 "[ . 1 . 2]" 1
308 1 22 HIS QB 1 27 VAL MG1 3.500 . 4.500 2.001 1.985 2.071 0.015 2 0 "[ . 1 . 2]" 1
309 1 22 HIS HD1 1 27 VAL MG1 3.500 . 4.500 4.019 3.957 4.093 . 0 0 "[ . 1 . 2]" 1
310 1 22 HIS HD1 1 27 VAL MG2 5.000 2.500 6.000 4.905 4.762 4.965 . 0 0 "[ . 1 . 2]" 1
311 1 22 HIS HD1 1 28 CYS HA 5.000 2.500 6.000 4.425 4.007 4.976 . 0 0 "[ . 1 . 2]" 1
312 1 22 HIS HD1 1 29 LEU HA 5.000 2.500 6.000 2.521 2.491 2.597 0.009 6 0 "[ . 1 . 2]" 1
313 1 22 HIS HE1 1 29 LEU HA 2.500 . 3.500 3.509 3.500 3.515 0.015 7 0 "[ . 1 . 2]" 1
314 1 22 HIS HE1 1 29 LEU HB3 5.000 2.500 6.000 4.443 4.216 4.617 . 0 0 "[ . 1 . 2]" 1
315 1 22 HIS HE1 1 29 LEU HB2 5.000 2.500 6.000 2.896 2.562 3.199 . 0 0 "[ . 1 . 2]" 1
316 1 22 HIS HE1 1 29 LEU QD 3.500 . 4.500 2.068 1.994 2.243 0.006 3 0 "[ . 1 . 2]" 1
317 1 22 HIS HE1 1 29 LEU MD1 3.500 . 4.500 2.084 2.001 2.249 . 0 0 "[ . 1 . 2]" 1
318 1 22 HIS HE1 1 29 LEU MD2 3.500 . 4.500 4.208 2.242 4.497 . 0 0 "[ . 1 . 2]" 1
319 1 22 HIS HE1 1 29 LEU HG 5.000 2.500 6.000 3.101 2.644 4.385 . 0 0 "[ . 1 . 2]" 1
320 1 22 HIS HE1 1 29 LEU H 5.000 2.500 6.000 4.848 4.690 5.197 . 0 0 "[ . 1 . 2]" 1
321 1 22 HIS QB 1 32 ALA HA 3.500 . 4.500 4.476 4.353 4.511 0.011 1 0 "[ . 1 . 2]" 1
322 1 22 HIS QB 1 32 ALA MB 5.000 2.500 6.000 2.512 2.486 2.560 0.014 19 0 "[ . 1 . 2]" 1
323 1 22 HIS HD1 1 32 ALA MB 3.500 . 4.500 2.459 2.284 2.555 . 0 0 "[ . 1 . 2]" 1
324 1 22 HIS HE1 1 32 ALA MB 3.500 . 4.500 4.211 3.979 4.378 . 0 0 "[ . 1 . 2]" 1
325 1 22 HIS QB 1 46 TYR QD 5.000 2.500 6.000 5.045 4.566 5.439 . 0 0 "[ . 1 . 2]" 1
326 1 22 HIS QB 1 46 TYR QE 3.500 . 4.500 3.926 3.454 4.417 . 0 0 "[ . 1 . 2]" 1
327 1 23 LYS HA 1 23 LYS HB3 2.500 . 3.500 3.014 2.962 3.025 . 0 0 "[ . 1 . 2]" 1
328 1 23 LYS HA 1 23 LYS HB2 2.000 . 2.800 2.519 2.445 2.697 . 0 0 "[ . 1 . 2]" 1
329 1 23 LYS HA 1 23 LYS QG 3.500 . 4.500 2.385 2.140 2.535 . 0 0 "[ . 1 . 2]" 1
330 1 23 LYS H 1 23 LYS HB3 3.500 . 4.500 2.612 2.455 2.972 . 0 0 "[ . 1 . 2]" 1
331 1 23 LYS H 1 23 LYS HB2 3.500 . 4.500 2.481 2.158 2.710 . 0 0 "[ . 1 . 2]" 1
332 1 23 LYS H 1 23 LYS QG 3.500 . 4.500 3.952 3.754 4.002 . 0 0 "[ . 1 . 2]" 1
333 1 23 LYS HA 1 24 ARG H 3.500 . 4.500 3.528 3.458 3.548 . 0 0 "[ . 1 . 2]" 1
334 1 23 LYS HB3 1 24 ARG H 3.500 . 4.500 2.647 2.502 3.012 . 0 0 "[ . 1 . 2]" 1
335 1 23 LYS HB2 1 24 ARG H 3.500 . 4.500 3.807 3.468 4.061 . 0 0 "[ . 1 . 2]" 1
336 1 23 LYS QG 1 24 ARG H 5.000 2.500 6.000 4.022 3.715 4.356 . 0 0 "[ . 1 . 2]" 1
337 1 23 LYS H 1 24 ARG H 2.500 . 3.500 2.543 2.348 2.667 . 0 0 "[ . 1 . 2]" 1
338 1 23 LYS HA 1 26 ARG HA 5.000 2.500 6.000 4.903 4.369 5.128 . 0 0 "[ . 1 . 2]" 1
339 1 23 LYS HA 1 26 ARG H 3.500 . 4.500 4.348 3.987 4.508 0.008 7 0 "[ . 1 . 2]" 1
340 1 23 LYS HA 1 27 VAL H 3.500 . 4.500 3.958 3.377 4.108 . 0 0 "[ . 1 . 2]" 1
341 1 23 LYS H 1 27 VAL MG1 3.500 . 4.500 4.472 4.254 4.515 0.015 11 0 "[ . 1 . 2]" 1
342 1 24 ARG HA 1 24 ARG QB 2.500 . 3.500 2.453 2.419 2.500 . 0 0 "[ . 1 . 2]" 1
343 1 24 ARG HA 1 24 ARG HB3 2.500 . 3.500 2.996 2.963 3.013 . 0 0 "[ . 1 . 2]" 1
344 1 24 ARG HA 1 24 ARG HB2 2.500 . 3.500 2.605 2.547 2.694 . 0 0 "[ . 1 . 2]" 1
345 1 24 ARG HA 1 24 ARG HG3 3.500 . 4.500 2.770 2.203 3.576 . 0 0 "[ . 1 . 2]" 1
346 1 24 ARG HA 1 24 ARG HG2 3.500 . 4.500 2.760 2.099 3.699 . 0 0 "[ . 1 . 2]" 1
347 1 24 ARG H 1 24 ARG HA 2.500 . 3.500 2.909 2.908 2.911 . 0 0 "[ . 1 . 2]" 1
348 1 24 ARG H 1 24 ARG QB 2.500 . 3.500 2.300 2.249 2.325 . 0 0 "[ . 1 . 2]" 1
349 1 24 ARG H 1 24 ARG QG 3.500 . 4.500 3.998 3.902 4.084 . 0 0 "[ . 1 . 2]" 1
350 1 24 ARG HA 1 25 HIS H 3.500 . 4.500 2.969 2.875 3.095 . 0 0 "[ . 1 . 2]" 1
351 1 24 ARG QB 1 25 HIS HD2 3.500 . 4.500 3.456 2.768 4.218 . 0 0 "[ . 1 . 2]" 1
352 1 24 ARG HB3 1 25 HIS H 5.000 2.500 6.000 4.067 3.920 4.159 . 0 0 "[ . 1 . 2]" 1
353 1 24 ARG HB2 1 25 HIS H 5.000 2.500 6.000 4.493 4.375 4.566 . 0 0 "[ . 1 . 2]" 1
354 1 24 ARG QG 1 25 HIS HD2 5.000 2.500 6.000 5.174 4.297 6.001 0.001 15 0 "[ . 1 . 2]" 1
355 1 24 ARG H 1 25 HIS H 3.500 . 4.500 2.914 2.717 3.049 . 0 0 "[ . 1 . 2]" 1
356 1 25 HIS HA 1 25 HIS HD2 3.500 . 4.500 4.263 3.916 4.513 0.013 7 0 "[ . 1 . 2]" 1
357 1 25 HIS HB3 1 25 HIS HD2 3.500 . 4.500 3.793 3.667 3.907 . 0 0 "[ . 1 . 2]" 1
358 1 25 HIS H 1 25 HIS HB3 3.500 . 4.500 3.782 3.667 3.854 . 0 0 "[ . 1 . 2]" 1
359 1 25 HIS HB2 1 25 HIS HD2 3.500 . 4.500 2.732 2.688 2.817 . 0 0 "[ . 1 . 2]" 1
360 1 25 HIS H 1 25 HIS HB2 3.500 . 4.500 2.726 2.546 2.831 . 0 0 "[ . 1 . 2]" 1
361 1 25 HIS H 1 25 HIS HD2 5.000 2.500 6.000 4.194 3.781 4.474 . 0 0 "[ . 1 . 2]" 1
362 1 25 HIS HA 1 26 ARG H 5.000 2.500 6.000 3.083 3.008 3.172 . 0 0 "[ . 1 . 2]" 1
363 1 25 HIS HB2 1 26 ARG H 3.500 . 4.500 3.959 3.840 4.042 . 0 0 "[ . 1 . 2]" 1
364 1 25 HIS H 1 26 ARG HA 5.000 2.500 6.000 4.014 3.956 4.147 . 0 0 "[ . 1 . 2]" 1
365 1 25 HIS H 1 26 ARG H 2.500 . 3.500 1.982 1.932 2.078 . 0 0 "[ . 1 . 2]" 1
366 1 25 HIS HB3 1 27 VAL MG1 3.500 . 4.500 2.571 2.204 2.833 . 0 0 "[ . 1 . 2]" 1
367 1 25 HIS HB2 1 27 VAL MG1 2.500 . 3.500 2.397 2.176 2.566 . 0 0 "[ . 1 . 2]" 1
368 1 25 HIS H 1 27 VAL MG1 5.000 2.500 6.000 3.567 3.384 3.646 . 0 0 "[ . 1 . 2]" 1
369 1 25 HIS H 1 27 VAL H 5.000 2.500 6.000 3.501 3.276 3.665 . 0 0 "[ . 1 . 2]" 1
370 1 25 HIS HB3 1 46 TYR QE 3.500 . 4.500 3.209 2.738 3.743 . 0 0 "[ . 1 . 2]" 1
371 1 25 HIS HB2 1 46 TYR QE 3.500 . 4.500 3.336 2.710 4.093 . 0 0 "[ . 1 . 2]" 1
372 1 25 HIS HE1 1 51 GLY HA3 3.500 . 4.500 2.776 2.462 2.891 . 0 0 "[ . 1 . 2]" 1
373 1 25 HIS HE1 1 51 GLY HA2 3.500 . 4.500 4.454 4.195 4.519 0.019 15 0 "[ . 1 . 2]" 1
374 1 26 ARG HA 1 26 ARG QB 3.500 . 4.500 2.417 2.285 2.518 . 0 0 "[ . 1 . 2]" 1
375 1 26 ARG HA 1 26 ARG QD 5.000 2.500 6.000 3.901 3.037 4.231 . 0 0 "[ . 1 . 2]" 1
376 1 26 ARG HA 1 26 ARG QG 2.500 . 3.500 2.319 2.053 2.596 . 0 0 "[ . 1 . 2]" 1
377 1 26 ARG HA 1 26 ARG HG3 3.500 . 4.500 2.846 2.075 3.394 . 0 0 "[ . 1 . 2]" 1
378 1 26 ARG HA 1 26 ARG HG2 3.500 . 4.500 2.676 2.200 3.564 . 0 0 "[ . 1 . 2]" 1
379 1 26 ARG H 1 26 ARG HA 2.500 . 3.500 2.282 2.274 2.288 . 0 0 "[ . 1 . 2]" 1
380 1 26 ARG QB 1 26 ARG QD 3.500 . 4.500 2.200 2.022 2.434 . 0 0 "[ . 1 . 2]" 1
381 1 26 ARG H 1 26 ARG QB 3.500 . 4.500 3.188 3.000 3.357 . 0 0 "[ . 1 . 2]" 1
382 1 26 ARG QD 1 26 ARG HE 5.000 2.500 6.000 2.489 2.479 2.493 0.021 14 0 "[ . 1 . 2]" 1
383 1 26 ARG QD 1 26 ARG QG 2.000 . 2.800 2.038 1.988 2.091 . 0 0 "[ . 1 . 2]" 1
384 1 26 ARG HA 1 27 VAL H 2.500 . 3.500 2.610 2.525 2.700 . 0 0 "[ . 1 . 2]" 1
385 1 26 ARG H 1 27 VAL MG1 3.500 . 4.500 3.992 3.945 4.060 . 0 0 "[ . 1 . 2]" 1
386 1 26 ARG H 1 27 VAL H 3.500 . 4.500 3.009 2.904 3.094 . 0 0 "[ . 1 . 2]" 1
387 1 27 VAL HA 1 27 VAL HB 2.500 . 3.500 2.444 2.426 2.455 . 0 0 "[ . 1 . 2]" 1
388 1 27 VAL HA 1 27 VAL MG1 2.500 . 3.500 3.194 3.190 3.203 . 0 0 "[ . 1 . 2]" 1
389 1 27 VAL HA 1 27 VAL MG2 2.500 . 3.500 2.323 2.260 2.390 . 0 0 "[ . 1 . 2]" 1
390 1 27 VAL HB 1 27 VAL MG2 2.000 . 2.800 2.124 2.098 2.130 . 0 0 "[ . 1 . 2]" 1
391 1 27 VAL H 1 27 VAL HB 5.000 2.500 6.000 3.390 3.345 3.464 . 0 0 "[ . 1 . 2]" 1
392 1 27 VAL MG1 1 27 VAL MG2 2.000 . 2.800 2.044 1.966 2.084 . 0 0 "[ . 1 . 2]" 1
393 1 27 VAL H 1 27 VAL MG1 2.500 . 3.500 2.298 2.160 2.480 . 0 0 "[ . 1 . 2]" 1
394 1 27 VAL H 1 27 VAL MG2 3.500 . 4.500 3.972 3.950 3.991 . 0 0 "[ . 1 . 2]" 1
395 1 27 VAL HA 1 28 CYS QB 5.000 2.500 6.000 4.202 4.152 4.243 . 0 0 "[ . 1 . 2]" 1
396 1 27 VAL HA 1 28 CYS H 2.000 . 2.800 2.273 2.175 2.365 . 0 0 "[ . 1 . 2]" 1
397 1 27 VAL HB 1 28 CYS H 3.500 . 4.500 3.971 3.845 4.162 . 0 0 "[ . 1 . 2]" 1
398 1 27 VAL MG1 1 28 CYS H 3.500 . 4.500 3.742 3.555 3.941 . 0 0 "[ . 1 . 2]" 1
399 1 27 VAL MG2 1 28 CYS H 2.500 . 3.500 2.144 1.905 2.535 . 0 0 "[ . 1 . 2]" 1
400 1 27 VAL H 1 28 CYS H 5.000 2.500 6.000 4.327 4.212 4.393 . 0 0 "[ . 1 . 2]" 1
401 1 27 VAL HA 1 31 CYS HB2 5.000 2.500 6.000 4.334 4.155 4.505 . 0 0 "[ . 1 . 2]" 1
402 1 27 VAL MG2 1 31 CYS HB2 2.500 . 3.500 1.968 1.886 2.100 . 0 0 "[ . 1 . 2]" 1
403 1 27 VAL MG2 1 31 CYS H 3.500 . 4.500 3.476 3.403 3.639 . 0 0 "[ . 1 . 2]" 1
404 1 27 VAL MG1 1 32 ALA MB 3.500 . 4.500 3.345 3.208 3.623 . 0 0 "[ . 1 . 2]" 1
405 1 27 VAL MG1 1 32 ALA H 5.000 2.500 6.000 4.421 4.172 4.624 . 0 0 "[ . 1 . 2]" 1
406 1 27 VAL MG2 1 32 ALA HA 3.500 . 4.500 3.795 3.594 3.936 . 0 0 "[ . 1 . 2]" 1
407 1 27 VAL MG2 1 32 ALA MB 2.500 . 3.500 3.383 3.259 3.506 0.006 19 0 "[ . 1 . 2]" 1
408 1 27 VAL MG2 1 32 ALA H 2.500 . 3.500 3.248 2.915 3.379 . 0 0 "[ . 1 . 2]" 1
409 1 27 VAL HB 1 46 TYR QE 5.000 2.500 6.000 4.047 3.416 4.595 . 0 0 "[ . 1 . 2]" 1
410 1 27 VAL MG1 1 46 TYR QE 3.500 . 4.500 2.191 1.997 2.619 0.003 11 0 "[ . 1 . 2]" 1
411 1 27 VAL MG2 1 46 TYR QE 3.500 . 4.500 3.623 2.807 4.113 . 0 0 "[ . 1 . 2]" 1
412 1 27 VAL HA 1 53 PHE QE 5.000 2.500 6.000 4.185 3.916 4.381 . 0 0 "[ . 1 . 2]" 1
413 1 27 VAL HB 1 53 PHE QE 3.500 . 4.500 3.179 2.873 3.405 . 0 0 "[ . 1 . 2]" 1
414 1 27 VAL HB 1 53 PHE HZ 5.000 2.500 6.000 2.902 2.580 3.437 . 0 0 "[ . 1 . 2]" 1
415 1 27 VAL MG1 1 53 PHE HZ 3.500 . 4.500 3.888 3.663 4.312 . 0 0 "[ . 1 . 2]" 1
416 1 27 VAL MG2 1 53 PHE QD 3.500 . 4.500 4.494 4.421 4.512 0.012 16 0 "[ . 1 . 2]" 1
417 1 27 VAL MG2 1 53 PHE QE 2.500 . 3.500 2.838 2.744 2.978 . 0 0 "[ . 1 . 2]" 1
418 1 27 VAL MG2 1 53 PHE HZ 2.000 . 2.800 1.892 1.850 1.983 . 0 0 "[ . 1 . 2]" 1
419 1 28 CYS HA 1 28 CYS QB 2.500 . 3.500 2.178 2.176 2.180 . 0 0 "[ . 1 . 2]" 1
420 1 28 CYS HA 1 28 CYS HB3 2.500 . 3.500 2.531 2.518 2.550 . 0 0 "[ . 1 . 2]" 1
421 1 28 CYS HA 1 28 CYS HB2 2.500 . 3.500 2.377 2.361 2.387 . 0 0 "[ . 1 . 2]" 1
422 1 28 CYS H 1 28 CYS HB3 3.500 . 4.500 2.614 2.450 2.731 . 0 0 "[ . 1 . 2]" 1
423 1 28 CYS H 1 28 CYS HB2 3.500 . 4.500 3.660 3.604 3.720 . 0 0 "[ . 1 . 2]" 1
424 1 28 CYS HA 1 29 LEU H 3.500 . 4.500 2.421 2.337 2.501 . 0 0 "[ . 1 . 2]" 1
425 1 28 CYS QB 1 29 LEU H 2.500 . 3.500 2.442 2.313 2.609 . 0 0 "[ . 1 . 2]" 1
426 1 28 CYS H 1 29 LEU H 5.000 2.500 6.000 4.572 4.516 4.617 . 0 0 "[ . 1 . 2]" 1
427 1 28 CYS HA 1 30 ARG H 5.000 2.500 6.000 4.357 4.137 4.482 . 0 0 "[ . 1 . 2]" 1
428 1 28 CYS QB 1 30 ARG H 5.000 2.500 6.000 3.070 2.922 3.190 . 0 0 "[ . 1 . 2]" 1
429 1 28 CYS H 1 31 CYS HB3 5.000 2.500 6.000 4.401 4.152 4.784 . 0 0 "[ . 1 . 2]" 1
430 1 28 CYS H 1 31 CYS HB2 3.500 . 4.500 2.925 2.663 3.280 . 0 0 "[ . 1 . 2]" 1
431 1 28 CYS H 1 31 CYS H 3.500 . 4.500 3.931 3.761 4.245 . 0 0 "[ . 1 . 2]" 1
432 1 29 LEU HA 1 29 LEU QB 2.000 . 2.800 2.376 2.330 2.429 . 0 0 "[ . 1 . 2]" 1
433 1 29 LEU HA 1 29 LEU HB3 2.500 . 3.500 3.016 3.005 3.019 . 0 0 "[ . 1 . 2]" 1
434 1 29 LEU HA 1 29 LEU QD 2.500 . 3.500 2.996 1.880 3.111 . 0 0 "[ . 1 . 2]" 1
435 1 29 LEU HA 1 29 LEU HB2 2.500 . 3.500 2.487 2.425 2.565 . 0 0 "[ . 1 . 2]" 1
436 1 29 LEU HA 1 29 LEU MD1 2.500 . 3.500 3.410 1.887 3.504 0.004 13 0 "[ . 1 . 2]" 1
437 1 29 LEU HA 1 29 LEU MD2 2.500 . 3.500 3.385 3.214 3.568 0.068 3 0 "[ . 1 . 2]" 1
438 1 29 LEU HA 1 29 LEU HG 2.500 . 3.500 2.465 2.305 3.461 . 0 0 "[ . 1 . 2]" 1
439 1 29 LEU QB 1 29 LEU QD 2.500 . 3.500 1.802 1.746 1.933 . 0 0 "[ . 1 . 2]" 1
440 1 29 LEU HB3 1 29 LEU QD 2.500 . 3.500 2.081 1.950 2.508 . 0 0 "[ . 1 . 2]" 1
441 1 29 LEU H 1 29 LEU HB3 2.500 . 3.500 2.582 2.480 2.750 . 0 0 "[ . 1 . 2]" 1
442 1 29 LEU HB2 1 29 LEU QD 2.500 . 3.500 1.983 1.950 2.079 . 0 0 "[ . 1 . 2]" 1
443 1 29 LEU H 1 29 LEU HB2 2.500 . 3.500 2.435 2.288 2.530 . 0 0 "[ . 1 . 2]" 1
444 1 29 LEU H 1 29 LEU QD 3.500 . 4.500 3.694 3.642 3.713 . 0 0 "[ . 1 . 2]" 1
445 1 29 LEU H 1 29 LEU HG 3.500 . 4.500 4.421 4.325 4.528 0.028 3 0 "[ . 1 . 2]" 1
446 1 29 LEU HA 1 30 ARG H 3.500 . 4.500 3.521 3.492 3.540 . 0 0 "[ . 1 . 2]" 1
447 1 29 LEU HB3 1 30 ARG H 3.500 . 4.500 2.690 2.559 2.858 . 0 0 "[ . 1 . 2]" 1
448 1 29 LEU HB2 1 30 ARG H 3.500 . 4.500 3.878 3.724 4.043 . 0 0 "[ . 1 . 2]" 1
449 1 29 LEU QD 1 30 ARG H 5.000 2.500 6.000 3.284 3.009 3.866 . 0 0 "[ . 1 . 2]" 1
450 1 29 LEU HG 1 30 ARG H 5.000 2.500 6.000 4.570 3.922 4.741 . 0 0 "[ . 1 . 2]" 1
451 1 29 LEU H 1 30 ARG H 3.500 . 4.500 2.675 2.591 2.761 . 0 0 "[ . 1 . 2]" 1
452 1 29 LEU QB 1 31 CYS H 5.000 2.500 6.000 4.717 4.599 4.891 . 0 0 "[ . 1 . 2]" 1
453 1 29 LEU HG 1 31 CYS H 5.000 2.500 6.000 5.761 5.646 5.982 . 0 0 "[ . 1 . 2]" 1
454 1 29 LEU H 1 31 CYS H 5.000 2.500 6.000 4.245 4.141 4.453 . 0 0 "[ . 1 . 2]" 1
455 1 29 LEU HA 1 32 ALA MB 3.500 . 4.500 2.366 2.083 2.489 . 0 0 "[ . 1 . 2]" 1
456 1 29 LEU HA 1 32 ALA H 3.500 . 4.500 3.133 3.079 3.211 . 0 0 "[ . 1 . 2]" 1
457 1 29 LEU QD 1 33 THR MG 3.500 . 4.500 2.417 2.000 3.633 0.000 17 0 "[ . 1 . 2]" 1
458 1 29 LEU HG 1 33 THR MG 5.000 2.500 6.000 3.252 2.684 5.305 . 0 0 "[ . 1 . 2]" 1
459 1 30 ARG HA 1 30 ARG HB3 2.500 . 3.500 3.003 2.963 3.024 . 0 0 "[ . 1 . 2]" 1
460 1 30 ARG HA 1 30 ARG HB2 2.500 . 3.500 2.572 2.448 2.697 . 0 0 "[ . 1 . 2]" 1
461 1 30 ARG HA 1 30 ARG QG 3.500 . 4.500 2.359 2.073 2.680 . 0 0 "[ . 1 . 2]" 1
462 1 30 ARG H 1 30 ARG HA 2.500 . 3.500 2.783 2.758 2.800 . 0 0 "[ . 1 . 2]" 1
463 1 30 ARG H 1 30 ARG HB3 2.500 . 3.500 2.779 2.546 3.026 . 0 0 "[ . 1 . 2]" 1
464 1 30 ARG H 1 30 ARG HB2 2.500 . 3.500 2.300 2.128 2.503 . 0 0 "[ . 1 . 2]" 1
465 1 30 ARG HA 1 31 CYS H 5.000 2.500 6.000 3.513 3.498 3.544 . 0 0 "[ . 1 . 2]" 1
466 1 30 ARG HB3 1 31 CYS H 3.500 . 4.500 2.765 2.574 2.873 . 0 0 "[ . 1 . 2]" 1
467 1 30 ARG HB2 1 31 CYS H 3.500 . 4.500 3.783 3.532 3.990 . 0 0 "[ . 1 . 2]" 1
468 1 30 ARG H 1 31 CYS H 2.500 . 3.500 2.733 2.679 2.811 . 0 0 "[ . 1 . 2]" 1
469 1 30 ARG H 1 32 ALA H 3.500 . 4.500 4.044 3.953 4.213 . 0 0 "[ . 1 . 2]" 1
470 1 30 ARG HA 1 33 THR MG 3.500 . 4.500 4.252 3.929 4.512 0.012 1 0 "[ . 1 . 2]" 1
471 1 30 ARG HA 1 33 THR H 3.500 . 4.500 3.761 3.580 3.883 . 0 0 "[ . 1 . 2]" 1
472 1 31 CYS HA 1 31 CYS HB3 2.500 . 3.500 2.617 2.588 2.652 . 0 0 "[ . 1 . 2]" 1
473 1 31 CYS H 1 31 CYS HB3 3.500 . 4.500 3.538 3.507 3.565 . 0 0 "[ . 1 . 2]" 1
474 1 31 CYS H 1 31 CYS HB2 2.500 . 3.500 2.252 2.206 2.295 . 0 0 "[ . 1 . 2]" 1
475 1 31 CYS HA 1 32 ALA H 5.000 2.500 6.000 3.488 3.457 3.534 . 0 0 "[ . 1 . 2]" 1
476 1 31 CYS HB3 1 32 ALA H 5.000 2.500 6.000 3.630 3.381 3.771 . 0 0 "[ . 1 . 2]" 1
477 1 31 CYS HB2 1 32 ALA H 3.500 . 4.500 2.978 2.757 3.095 . 0 0 "[ . 1 . 2]" 1
478 1 31 CYS H 1 32 ALA MB 3.500 . 4.500 4.039 3.905 4.177 . 0 0 "[ . 1 . 2]" 1
479 1 31 CYS H 1 32 ALA H 2.500 . 3.500 2.392 2.314 2.510 . 0 0 "[ . 1 . 2]" 1
480 1 31 CYS H 1 33 THR H 5.000 2.500 6.000 4.043 3.822 4.237 . 0 0 "[ . 1 . 2]" 1
481 1 31 CYS HA 1 34 ALA MB 2.500 . 3.500 2.067 1.931 2.418 . 0 0 "[ . 1 . 2]" 1
482 1 31 CYS HA 1 34 ALA H 3.500 . 4.500 3.195 3.065 3.428 . 0 0 "[ . 1 . 2]" 1
483 1 31 CYS HA 1 37 VAL QG 2.500 . 3.500 3.049 2.746 3.502 0.002 16 0 "[ . 1 . 2]" 1
484 1 31 CYS HB3 1 37 VAL QG 3.500 . 4.500 2.973 2.587 3.316 . 0 0 "[ . 1 . 2]" 1
485 1 31 CYS HB2 1 37 VAL QG 3.500 . 4.500 3.984 3.734 4.221 . 0 0 "[ . 1 . 2]" 1
486 1 31 CYS HB3 1 53 PHE QE 3.500 . 4.500 3.187 2.829 3.527 . 0 0 "[ . 1 . 2]" 1
487 1 31 CYS HB3 1 53 PHE HZ 3.500 . 4.500 2.878 2.533 3.159 . 0 0 "[ . 1 . 2]" 1
488 1 31 CYS HB2 1 53 PHE HZ 3.500 . 4.500 3.653 3.280 3.852 . 0 0 "[ . 1 . 2]" 1
489 1 32 ALA HA 1 32 ALA MB 2.000 . 2.800 2.107 2.084 2.127 . 0 0 "[ . 1 . 2]" 1
490 1 32 ALA H 1 32 ALA MB 2.500 . 3.500 2.146 2.030 2.235 . 0 0 "[ . 1 . 2]" 1
491 1 32 ALA HA 1 33 THR H 3.500 . 4.500 3.503 3.481 3.547 . 0 0 "[ . 1 . 2]" 1
492 1 32 ALA MB 1 33 THR H 2.500 . 3.500 2.749 2.478 2.908 . 0 0 "[ . 1 . 2]" 1
493 1 32 ALA H 1 33 THR H 3.500 . 4.500 2.591 2.535 2.686 . 0 0 "[ . 1 . 2]" 1
494 1 32 ALA H 1 34 ALA H 5.000 2.500 6.000 3.868 3.799 3.981 . 0 0 "[ . 1 . 2]" 1
495 1 32 ALA HA 1 46 TYR QB 3.500 . 4.500 3.138 2.702 3.525 . 0 0 "[ . 1 . 2]" 1
496 1 32 ALA MB 1 46 TYR QE 3.500 . 4.500 3.708 2.814 4.374 . 0 0 "[ . 1 . 2]" 1
497 1 32 ALA HA 1 53 PHE QE 5.000 2.500 6.000 4.862 4.582 5.063 . 0 0 "[ . 1 . 2]" 1
498 1 32 ALA HA 1 53 PHE HZ 5.000 2.500 6.000 5.821 5.427 6.003 0.003 18 0 "[ . 1 . 2]" 1
499 1 33 THR HA 1 33 THR MG 2.000 . 2.800 2.322 2.138 2.460 . 0 0 "[ . 1 . 2]" 1
500 1 33 THR HB 1 33 THR MG 2.000 . 2.800 2.117 2.096 2.135 . 0 0 "[ . 1 . 2]" 1
501 1 33 THR H 1 33 THR MG 3.500 . 4.500 2.747 2.413 3.810 . 0 0 "[ . 1 . 2]" 1
502 1 33 THR HA 1 34 ALA H 3.500 . 4.500 3.468 3.108 3.527 . 0 0 "[ . 1 . 2]" 1
503 1 33 THR H 1 34 ALA H 2.000 . 2.800 2.209 2.074 2.433 . 0 0 "[ . 1 . 2]" 1
504 1 34 ALA HA 1 34 ALA MB 2.000 . 2.800 2.113 2.097 2.128 . 0 0 "[ . 1 . 2]" 1
505 1 34 ALA H 1 34 ALA MB 2.000 . 2.800 2.171 2.096 2.234 . 0 0 "[ . 1 . 2]" 1
506 1 34 ALA HA 1 35 SER H 3.500 . 4.500 2.506 2.218 3.425 . 0 0 "[ . 1 . 2]" 1
507 1 34 ALA MB 1 35 SER QB 5.000 2.500 6.000 4.396 4.030 4.674 . 0 0 "[ . 1 . 2]" 1
508 1 34 ALA MB 1 35 SER H 5.000 2.500 6.000 2.748 2.500 3.494 . 19 0 "[ . 1 . 2]" 1
509 1 34 ALA HA 1 36 PHE H 5.000 2.500 6.000 4.448 3.990 4.955 . 0 0 "[ . 1 . 2]" 1
510 1 34 ALA MB 1 36 PHE HA 5.000 2.500 6.000 4.382 4.120 4.820 . 0 0 "[ . 1 . 2]" 1
511 1 34 ALA MB 1 36 PHE H 2.500 . 3.500 3.026 2.597 3.500 0.000 18 0 "[ . 1 . 2]" 1
512 1 34 ALA MB 1 37 VAL HA 5.000 2.500 6.000 4.585 4.014 5.283 . 0 0 "[ . 1 . 2]" 1
513 1 34 ALA MB 1 37 VAL QG 2.500 . 3.500 2.921 2.539 3.281 . 0 0 "[ . 1 . 2]" 1
514 1 35 SER H 1 35 SER QB 5.000 2.500 6.000 2.800 2.535 3.490 . 0 0 "[ . 1 . 2]" 1
515 1 35 SER QB 1 36 PHE QD 3.500 . 4.500 2.239 2.028 2.557 . 0 0 "[ . 1 . 2]" 1
516 1 35 SER QB 1 36 PHE H 3.500 . 4.500 2.681 1.998 3.511 0.002 9 0 "[ . 1 . 2]" 1
517 1 36 PHE HA 1 36 PHE HB3 2.500 . 3.500 2.450 2.407 2.478 . 0 0 "[ . 1 . 2]" 1
518 1 36 PHE HA 1 36 PHE QD 3.500 . 4.500 3.718 3.662 3.729 . 0 0 "[ . 1 . 2]" 1
519 1 36 PHE HA 1 36 PHE HB2 2.500 . 3.500 2.456 2.429 2.502 . 0 0 "[ . 1 . 2]" 1
520 1 36 PHE HB3 1 36 PHE QD 2.500 . 3.500 2.399 2.293 2.601 . 0 0 "[ . 1 . 2]" 1
521 1 36 PHE H 1 36 PHE HB3 5.000 2.500 6.000 3.369 3.024 3.602 . 0 0 "[ . 1 . 2]" 1
522 1 36 PHE HB2 1 36 PHE QD 2.500 . 3.500 2.383 2.265 2.517 . 0 0 "[ . 1 . 2]" 1
523 1 36 PHE H 1 36 PHE HB2 5.000 2.500 6.000 3.940 3.781 4.065 . 0 0 "[ . 1 . 2]" 1
524 1 36 PHE H 1 36 PHE QD 3.500 . 4.500 2.963 2.009 3.476 . 0 0 "[ . 1 . 2]" 1
525 1 36 PHE HA 1 37 VAL HA 5.000 2.500 6.000 4.481 4.391 4.543 . 0 0 "[ . 1 . 2]" 1
526 1 36 PHE HA 1 37 VAL QG 5.000 2.500 6.000 3.182 3.111 3.346 . 0 0 "[ . 1 . 2]" 1
527 1 36 PHE HA 1 37 VAL H 2.500 . 3.500 2.462 2.236 2.587 . 0 0 "[ . 1 . 2]" 1
528 1 36 PHE HB3 1 37 VAL H 3.500 . 4.500 3.726 3.551 4.032 . 0 0 "[ . 1 . 2]" 1
529 1 36 PHE QD 1 37 VAL HA 3.500 . 4.500 3.505 2.990 4.156 . 0 0 "[ . 1 . 2]" 1
530 1 36 PHE HB2 1 37 VAL H 3.500 . 4.500 2.343 2.089 2.900 . 0 0 "[ . 1 . 2]" 1
531 1 36 PHE QD 1 37 VAL H 3.500 . 4.500 3.148 2.760 3.853 . 0 0 "[ . 1 . 2]" 1
532 1 36 PHE H 1 37 VAL QG 5.000 2.500 6.000 3.962 3.645 4.228 . 0 0 "[ . 1 . 2]" 1
533 1 36 PHE H 1 37 VAL H 5.000 2.500 6.000 4.384 4.194 4.482 . 0 0 "[ . 1 . 2]" 1
534 1 36 PHE QD 1 38 VAL MG2 3.500 . 4.500 3.453 3.075 3.889 . 0 0 "[ . 1 . 2]" 1
535 1 36 PHE QD 1 38 VAL H 5.000 2.500 6.000 4.277 3.776 4.802 . 0 0 "[ . 1 . 2]" 1
536 1 36 PHE QE 1 38 VAL MG2 3.500 . 4.500 3.146 2.400 3.947 . 0 0 "[ . 1 . 2]" 1
537 1 36 PHE HZ 1 38 VAL MG2 5.000 2.500 6.000 5.049 4.271 5.935 . 0 0 "[ . 1 . 2]" 1
538 1 36 PHE QB 1 43 ASN HA 5.000 2.500 6.000 4.433 4.206 4.695 . 0 0 "[ . 1 . 2]" 1
539 1 36 PHE QB 1 43 ASN HB3 5.000 2.500 6.000 3.227 2.636 3.696 . 0 0 "[ . 1 . 2]" 1
540 1 36 PHE QD 1 43 ASN HA 3.500 . 4.500 4.255 3.885 4.507 0.007 7 0 "[ . 1 . 2]" 1
541 1 36 PHE QD 1 43 ASN HB3 3.500 . 4.500 3.236 2.624 3.961 . 0 0 "[ . 1 . 2]" 1
542 1 36 PHE QD 1 43 ASN HB2 5.000 2.500 6.000 4.816 4.199 5.247 . 0 0 "[ . 1 . 2]" 1
543 1 36 PHE QD 1 43 ASN QD 5.000 2.500 6.000 4.174 2.876 5.434 . 0 0 "[ . 1 . 2]" 1
544 1 36 PHE QE 1 43 ASN QD 5.000 2.500 6.000 4.048 3.172 5.174 . 0 0 "[ . 1 . 2]" 1
545 1 36 PHE HA 1 44 LYS H 5.000 2.500 6.000 5.367 4.474 5.733 . 0 0 "[ . 1 . 2]" 1
546 1 36 PHE QB 1 44 LYS H 5.000 2.500 6.000 4.281 3.780 4.607 . 0 0 "[ . 1 . 2]" 1
547 1 36 PHE QD 1 44 LYS H 5.000 2.500 6.000 4.978 4.478 5.286 . 0 0 "[ . 1 . 2]" 1
548 1 36 PHE HA 1 45 ARG HA 5.000 2.500 6.000 2.780 2.498 3.069 0.002 2 0 "[ . 1 . 2]" 1
549 1 36 PHE HA 1 45 ARG HE 5.000 2.500 6.000 4.797 3.414 5.795 . 0 0 "[ . 1 . 2]" 1
550 1 36 PHE HA 1 45 ARG QG 5.000 2.500 6.000 2.975 2.506 3.882 . 0 0 "[ . 1 . 2]" 1
551 1 36 PHE QB 1 45 ARG QG 5.000 2.500 6.000 2.859 2.516 3.575 . 0 0 "[ . 1 . 2]" 1
552 1 36 PHE HA 1 56 LEU QD 3.500 . 4.500 3.847 3.214 4.482 . 0 0 "[ . 1 . 2]" 1
553 1 36 PHE QB 1 56 LEU QD 2.000 . 2.800 2.190 1.982 2.486 . 0 0 "[ . 1 . 2]" 1
554 1 36 PHE QB 1 56 LEU MD1 3.500 . 4.500 2.231 2.003 2.525 . 0 0 "[ . 1 . 2]" 1
555 1 36 PHE QB 1 56 LEU MD2 3.500 . 4.500 3.402 2.502 4.197 . 0 0 "[ . 1 . 2]" 1
556 1 36 PHE QD 1 56 LEU QD 2.500 . 3.500 3.178 2.816 3.419 . 0 0 "[ . 1 . 2]" 1
557 1 36 PHE QE 1 56 LEU QD 5.000 2.500 6.000 4.170 3.541 4.575 . 0 0 "[ . 1 . 2]" 1
558 1 36 PHE HZ 1 56 LEU QD 5.000 2.500 6.000 5.159 4.193 5.703 . 0 0 "[ . 1 . 2]" 1
559 1 37 VAL HA 1 37 VAL HB 2.500 . 3.500 2.493 2.476 2.528 . 0 0 "[ . 1 . 2]" 1
560 1 37 VAL HA 1 37 VAL QG 2.500 . 3.500 2.221 2.107 2.310 . 0 0 "[ . 1 . 2]" 1
561 1 37 VAL HB 1 37 VAL QG 2.000 . 2.800 1.876 1.866 1.887 . 0 0 "[ . 1 . 2]" 1
562 1 37 VAL H 1 37 VAL HB 3.500 . 4.500 3.839 3.716 3.900 . 0 0 "[ . 1 . 2]" 1
563 1 37 VAL H 1 37 VAL QG 2.500 . 3.500 2.079 1.958 2.279 . 0 0 "[ . 1 . 2]" 1
564 1 37 VAL HA 1 38 VAL MG2 3.500 . 4.500 3.427 3.330 3.570 . 0 0 "[ . 1 . 2]" 1
565 1 37 VAL HA 1 38 VAL H 2.500 . 3.500 2.233 2.187 2.325 . 0 0 "[ . 1 . 2]" 1
566 1 37 VAL HB 1 38 VAL H 2.500 . 3.500 2.873 2.571 3.045 . 0 0 "[ . 1 . 2]" 1
567 1 37 VAL MG1 1 38 VAL H 3.500 . 4.500 3.754 3.580 3.835 . 0 0 "[ . 1 . 2]" 1
568 1 37 VAL MG2 1 38 VAL H 3.500 . 4.500 3.845 3.609 3.949 . 0 0 "[ . 1 . 2]" 1
569 1 37 VAL H 1 38 VAL H 5.000 2.500 6.000 4.376 4.289 4.493 . 0 0 "[ . 1 . 2]" 1
570 1 37 VAL QG 1 39 LEU QB 3.500 . 4.500 2.909 2.550 3.241 . 0 0 "[ . 1 . 2]" 1
571 1 37 VAL QG 1 39 LEU QD 3.500 . 4.500 2.279 1.998 2.491 0.002 1 0 "[ . 1 . 2]" 1
572 1 37 VAL QG 1 39 LEU HG 3.500 . 4.500 4.387 4.180 4.503 0.003 4 0 "[ . 1 . 2]" 1
573 1 37 VAL QG 1 39 LEU H 5.000 2.500 6.000 3.058 2.855 3.336 . 0 0 "[ . 1 . 2]" 1
574 1 37 VAL H 1 43 ASN HA 3.500 . 4.500 4.139 3.780 4.392 . 0 0 "[ . 1 . 2]" 1
575 1 37 VAL QG 1 44 LYS QB 3.500 . 4.500 2.784 2.306 3.212 . 0 0 "[ . 1 . 2]" 1
576 1 37 VAL QG 1 44 LYS H 3.500 . 4.500 2.853 2.329 3.314 . 0 0 "[ . 1 . 2]" 1
577 1 37 VAL QG 1 53 PHE QD 3.500 . 4.500 3.678 3.242 4.011 . 0 0 "[ . 1 . 2]" 1
578 1 37 VAL QG 1 53 PHE QE 2.500 . 3.500 3.172 2.670 3.434 . 0 0 "[ . 1 . 2]" 1
579 1 37 VAL QG 1 53 PHE HZ 3.500 . 4.500 3.533 3.049 3.849 . 0 0 "[ . 1 . 2]" 1
580 1 37 VAL H 1 56 LEU QD 5.000 2.500 6.000 3.877 3.323 4.480 . 0 0 "[ . 1 . 2]" 1
581 1 38 VAL HA 1 38 VAL MG1 2.500 . 3.500 2.374 2.296 2.399 . 0 0 "[ . 1 . 2]" 1
582 1 38 VAL HA 1 38 VAL MG2 2.500 . 3.500 2.454 2.368 2.512 . 0 0 "[ . 1 . 2]" 1
583 1 38 VAL HB 1 38 VAL MG1 2.000 . 2.800 2.117 2.097 2.128 . 0 0 "[ . 1 . 2]" 1
584 1 38 VAL HB 1 38 VAL MG2 2.000 . 2.800 2.110 2.094 2.129 . 0 0 "[ . 1 . 2]" 1
585 1 38 VAL H 1 38 VAL HB 2.500 . 3.500 2.604 2.590 2.614 . 0 0 "[ . 1 . 2]" 1
586 1 38 VAL MG1 1 38 VAL MG2 2.000 . 2.800 2.044 1.927 2.094 . 0 0 "[ . 1 . 2]" 1
587 1 38 VAL H 1 38 VAL MG1 3.500 . 4.500 3.791 3.777 3.808 . 0 0 "[ . 1 . 2]" 1
588 1 38 VAL H 1 38 VAL MG2 2.500 . 3.500 2.157 2.020 2.301 . 0 0 "[ . 1 . 2]" 1
589 1 38 VAL HA 1 39 LEU H 2.500 . 3.500 2.422 2.364 2.504 . 0 0 "[ . 1 . 2]" 1
590 1 38 VAL HB 1 39 LEU H 3.500 . 4.500 4.431 4.414 4.442 . 0 0 "[ . 1 . 2]" 1
591 1 38 VAL MG1 1 39 LEU HA 3.500 . 4.500 4.486 4.432 4.504 0.004 15 0 "[ . 1 . 2]" 1
592 1 38 VAL MG1 1 39 LEU H 3.500 . 4.500 3.723 3.614 3.844 . 0 0 "[ . 1 . 2]" 1
593 1 38 VAL H 1 39 LEU H 5.000 2.500 6.000 3.802 3.676 3.927 . 0 0 "[ . 1 . 2]" 1
594 1 38 VAL MG1 1 40 ASP H 5.000 2.500 6.000 5.545 5.485 5.609 . 0 0 "[ . 1 . 2]" 1
595 1 38 VAL MG1 1 41 GLY QA 3.500 . 4.500 3.853 3.640 4.093 . 0 0 "[ . 1 . 2]" 1
596 1 38 VAL MG1 1 41 GLY H 3.500 . 4.500 3.732 3.616 3.849 . 0 0 "[ . 1 . 2]" 1
597 1 38 VAL MG1 1 42 GLU H 3.500 . 4.500 3.730 3.292 4.130 . 0 0 "[ . 1 . 2]" 1
598 1 38 VAL HA 1 43 ASN HA 3.500 . 4.500 2.690 2.355 2.940 . 0 0 "[ . 1 . 2]" 1
599 1 38 VAL QG 1 43 ASN HA 5.000 2.500 6.000 3.801 3.447 4.036 . 0 0 "[ . 1 . 2]" 1
600 1 38 VAL MG1 1 43 ASN HA 5.000 2.500 6.000 4.222 3.802 4.558 . 0 0 "[ . 1 . 2]" 1
601 1 38 VAL MG2 1 43 ASN HA 3.500 . 4.500 4.316 3.945 4.504 0.004 1 0 "[ . 1 . 2]" 1
602 1 38 VAL MG2 1 43 ASN QD 5.000 2.500 6.000 3.693 3.107 4.639 . 0 0 "[ . 1 . 2]" 1
603 1 38 VAL HA 1 44 LYS H 5.000 2.500 6.000 4.149 3.832 4.467 . 0 0 "[ . 1 . 2]" 1
604 1 39 LEU HA 1 39 LEU QB 2.500 . 3.500 2.495 2.489 2.503 . 0 0 "[ . 1 . 2]" 1
605 1 39 LEU HA 1 39 LEU MD1 3.500 . 4.500 2.838 2.701 3.014 . 0 0 "[ . 1 . 2]" 1
606 1 39 LEU HA 1 39 LEU MD2 3.500 . 4.500 3.638 3.545 3.698 . 0 0 "[ . 1 . 2]" 1
607 1 39 LEU QB 1 39 LEU MD1 3.500 . 4.500 2.049 2.002 2.116 . 0 0 "[ . 1 . 2]" 1
608 1 39 LEU QB 1 39 LEU MD2 3.500 . 4.500 2.028 1.976 2.084 0.024 3 0 "[ . 1 . 2]" 1
609 1 39 LEU QB 1 39 LEU HG 2.000 . 2.800 2.525 2.505 2.538 . 0 0 "[ . 1 . 2]" 1
610 1 39 LEU H 1 39 LEU HB3 2.500 . 3.500 2.975 2.949 3.007 . 0 0 "[ . 1 . 2]" 1
611 1 39 LEU H 1 39 LEU QD 5.000 2.500 6.000 3.373 3.282 3.448 . 0 0 "[ . 1 . 2]" 1
612 1 39 LEU H 1 39 LEU HB2 2.500 . 3.500 2.131 2.119 2.145 . 0 0 "[ . 1 . 2]" 1
613 1 39 LEU HA 1 40 ASP H 2.500 . 3.500 2.700 2.676 2.726 . 0 0 "[ . 1 . 2]" 1
614 1 39 LEU QB 1 40 ASP H 5.000 2.500 6.000 2.491 2.481 2.499 0.019 9 0 "[ . 1 . 2]" 1
615 1 39 LEU QD 1 40 ASP H 3.500 . 4.500 2.204 1.999 2.452 0.001 15 0 "[ . 1 . 2]" 1
616 1 39 LEU HG 1 40 ASP H 3.500 . 4.500 2.033 1.986 2.159 0.014 16 0 "[ . 1 . 2]" 1
617 1 39 LEU H 1 40 ASP H 5.000 2.500 6.000 4.525 4.516 4.535 . 0 0 "[ . 1 . 2]" 1
618 1 39 LEU HA 1 41 GLY H 5.000 2.500 6.000 5.039 4.988 5.132 . 0 0 "[ . 1 . 2]" 1
619 1 39 LEU H 1 41 GLY H 5.000 2.500 6.000 5.595 5.490 5.771 . 0 0 "[ . 1 . 2]" 1
620 1 39 LEU H 1 42 GLU H 3.500 . 4.500 3.984 3.925 4.050 . 0 0 "[ . 1 . 2]" 1
621 1 39 LEU H 1 43 ASN HA 5.000 2.500 6.000 2.671 2.548 2.871 . 0 0 "[ . 1 . 2]" 1
622 1 39 LEU QD 1 44 LYS QB 3.500 . 4.500 2.591 2.449 3.123 . 0 0 "[ . 1 . 2]" 1
623 1 39 LEU MD1 1 44 LYS QB 5.000 2.500 6.000 2.665 2.494 3.268 0.006 18 0 "[ . 1 . 2]" 1
624 1 39 LEU MD2 1 44 LYS QB 5.000 2.500 6.000 3.588 3.324 3.967 . 0 0 "[ . 1 . 2]" 1
625 1 39 LEU QD 1 53 PHE HB3 5.000 2.500 6.000 3.193 2.757 3.611 . 0 0 "[ . 1 . 2]" 1
626 1 39 LEU QD 1 53 PHE HB2 3.500 . 4.500 3.419 2.824 3.836 . 0 0 "[ . 1 . 2]" 1
627 1 39 LEU QD 1 53 PHE QE 3.500 . 4.500 3.590 3.354 3.890 . 0 0 "[ . 1 . 2]" 1
628 1 39 LEU QD 1 53 PHE H 5.000 2.500 6.000 5.175 4.600 5.531 . 0 0 "[ . 1 . 2]" 1
629 1 39 LEU MD1 1 53 PHE HB3 3.500 . 4.500 3.310 2.809 3.805 . 0 0 "[ . 1 . 2]" 1
630 1 39 LEU MD1 1 53 PHE HB2 3.500 . 4.500 3.591 2.919 4.157 . 0 0 "[ . 1 . 2]" 1
631 1 39 LEU MD1 1 53 PHE QD 3.500 . 4.500 3.079 2.728 3.372 . 0 0 "[ . 1 . 2]" 1
632 1 39 LEU MD2 1 53 PHE HB3 3.500 . 4.500 4.256 3.882 4.506 0.006 3 0 "[ . 1 . 2]" 1
633 1 39 LEU MD2 1 53 PHE HB2 3.500 . 4.500 4.332 3.755 4.505 0.005 14 0 "[ . 1 . 2]" 1
634 1 39 LEU MD2 1 53 PHE QD 3.500 . 4.500 4.317 4.149 4.484 . 0 0 "[ . 1 . 2]" 1
635 1 40 ASP HA 1 40 ASP HB3 2.500 . 3.500 3.002 2.961 3.025 . 0 0 "[ . 1 . 2]" 1
636 1 40 ASP HA 1 40 ASP HB2 2.500 . 3.500 2.587 2.473 2.699 . 0 0 "[ . 1 . 2]" 1
637 1 40 ASP H 1 40 ASP HA 2.000 . 2.800 2.770 2.749 2.787 . 0 0 "[ . 1 . 2]" 1
638 1 40 ASP H 1 40 ASP HB3 5.000 2.500 6.000 2.825 2.602 3.042 . 0 0 "[ . 1 . 2]" 1
639 1 40 ASP H 1 40 ASP HB2 3.500 . 4.500 2.278 2.129 2.458 . 0 0 "[ . 1 . 2]" 1
640 1 40 ASP HA 1 41 GLY H 3.500 . 4.500 2.248 2.216 2.267 . 0 0 "[ . 1 . 2]" 1
641 1 40 ASP H 1 41 GLY H 3.500 . 4.500 4.174 4.139 4.231 . 0 0 "[ . 1 . 2]" 1
642 1 40 ASP H 1 42 GLU H 5.000 2.500 6.000 4.049 3.904 4.254 . 0 0 "[ . 1 . 2]" 1
643 1 41 GLY H 1 41 GLY HA3 2.500 . 3.500 2.766 2.736 2.780 . 0 0 "[ . 1 . 2]" 1
644 1 41 GLY H 1 41 GLY HA2 2.500 . 3.500 2.296 2.295 2.301 . 0 0 "[ . 1 . 2]" 1
645 1 41 GLY HA3 1 42 GLU H 3.500 . 4.500 3.483 3.456 3.510 . 0 0 "[ . 1 . 2]" 1
646 1 41 GLY HA2 1 42 GLU H 3.500 . 4.500 2.988 2.918 3.054 . 0 0 "[ . 1 . 2]" 1
647 1 41 GLY H 1 42 GLU H 3.500 . 4.500 2.802 2.764 2.880 . 0 0 "[ . 1 . 2]" 1
648 1 42 GLU HA 1 42 GLU HB3 2.500 . 3.500 2.574 2.464 2.679 . 0 0 "[ . 1 . 2]" 1
649 1 42 GLU HA 1 42 GLU HG3 3.500 . 4.500 3.351 2.974 3.742 . 0 0 "[ . 1 . 2]" 1
650 1 42 GLU HA 1 42 GLU HG2 3.500 . 4.500 2.388 2.135 2.852 . 0 0 "[ . 1 . 2]" 1
651 1 42 GLU H 1 42 GLU HB3 3.500 . 4.500 3.869 3.742 3.957 . 0 0 "[ . 1 . 2]" 1
652 1 42 GLU HB2 1 42 GLU QG 3.500 . 4.500 2.206 2.132 2.310 . 0 0 "[ . 1 . 2]" 1
653 1 42 GLU H 1 42 GLU HB2 2.500 . 3.500 2.873 2.743 2.963 . 0 0 "[ . 1 . 2]" 1
654 1 42 GLU H 1 42 GLU HG3 3.500 . 4.500 3.996 3.341 4.510 0.010 20 0 "[ . 1 . 2]" 1
655 1 42 GLU H 1 42 GLU HG2 3.500 . 4.500 4.008 3.398 4.461 . 0 0 "[ . 1 . 2]" 1
656 1 42 GLU HA 1 43 ASN H 2.500 . 3.500 2.168 2.138 2.478 . 0 0 "[ . 1 . 2]" 1
657 1 42 GLU HB3 1 43 ASN H 3.500 . 4.500 3.301 2.325 3.544 . 0 0 "[ . 1 . 2]" 1
658 1 42 GLU HB2 1 43 ASN H 3.500 . 4.500 4.293 3.762 4.466 . 0 0 "[ . 1 . 2]" 1
659 1 42 GLU QG 1 43 ASN H 5.000 2.500 6.000 4.071 3.594 4.610 . 0 0 "[ . 1 . 2]" 1
660 1 42 GLU H 1 43 ASN H 5.000 2.500 6.000 4.109 3.984 4.378 . 0 0 "[ . 1 . 2]" 1
661 1 42 GLU HB2 1 44 LYS QG 3.500 . 4.500 3.652 3.319 4.128 . 0 0 "[ . 1 . 2]" 1
662 1 42 GLU HB3 1 55 LEU QD 2.500 . 3.500 2.595 2.202 3.157 . 0 0 "[ . 1 . 2]" 1
663 1 42 GLU HB2 1 55 LEU QD 3.500 . 4.500 3.711 3.384 4.105 . 0 0 "[ . 1 . 2]" 1
664 1 42 GLU QG 1 55 LEU QD 3.500 . 4.500 3.377 2.915 3.744 . 0 0 "[ . 1 . 2]" 1
665 1 42 GLU H 1 55 LEU QD 5.000 2.500 6.000 5.642 5.309 6.002 0.002 7 0 "[ . 1 . 2]" 1
666 1 43 ASN HA 1 43 ASN HB3 2.500 . 3.500 2.507 2.408 2.700 . 0 0 "[ . 1 . 2]" 1
667 1 43 ASN HB3 1 43 ASN QD 3.500 . 4.500 2.736 2.227 3.129 . 0 0 "[ . 1 . 2]" 1
668 1 43 ASN H 1 43 ASN HB3 3.500 . 4.500 3.606 3.462 3.783 . 0 0 "[ . 1 . 2]" 1
669 1 43 ASN HB2 1 43 ASN QD 3.500 . 4.500 2.312 2.096 2.797 . 0 0 "[ . 1 . 2]" 1
670 1 43 ASN H 1 43 ASN HB2 2.500 . 3.500 2.431 2.161 2.681 . 0 0 "[ . 1 . 2]" 1
671 1 43 ASN H 1 43 ASN QD 5.000 2.500 6.000 3.663 2.764 4.153 . 0 0 "[ . 1 . 2]" 1
672 1 43 ASN HA 1 44 LYS H 2.000 . 2.800 2.161 2.142 2.200 . 0 0 "[ . 1 . 2]" 1
673 1 43 ASN HB3 1 44 LYS H 3.500 . 4.500 3.712 3.459 3.898 . 0 0 "[ . 1 . 2]" 1
674 1 43 ASN HB2 1 44 LYS H 5.000 2.500 6.000 4.420 4.340 4.514 . 0 0 "[ . 1 . 2]" 1
675 1 43 ASN H 1 44 LYS H 5.000 2.500 6.000 4.321 4.137 4.459 . 0 0 "[ . 1 . 2]" 1
676 1 43 ASN H 1 55 LEU MD1 5.000 2.500 6.000 5.028 3.983 6.005 0.005 12 0 "[ . 1 . 2]" 1
677 1 43 ASN H 1 55 LEU MD2 5.000 2.500 6.000 5.261 3.679 6.003 0.003 13 0 "[ . 1 . 2]" 1
678 1 43 ASN HA 1 56 LEU QB 5.000 2.500 6.000 4.823 4.492 5.095 . 0 0 "[ . 1 . 2]" 1
679 1 43 ASN HA 1 56 LEU QD 5.000 2.500 6.000 3.829 3.531 4.541 . 0 0 "[ . 1 . 2]" 1
680 1 43 ASN HB3 1 56 LEU QD 2.500 . 3.500 2.162 1.846 2.873 . 0 0 "[ . 1 . 2]" 1
681 1 43 ASN HB2 1 56 LEU QD 3.500 . 4.500 2.624 1.999 3.548 0.001 19 0 "[ . 1 . 2]" 1
682 1 43 ASN QD 1 56 LEU QD 5.000 2.500 6.000 3.189 2.692 3.882 . 0 0 "[ . 1 . 2]" 1
683 1 44 LYS HA 1 44 LYS QB 2.500 . 3.500 2.351 2.288 2.440 . 0 0 "[ . 1 . 2]" 1
684 1 44 LYS HA 1 44 LYS QG 3.500 . 4.500 2.554 2.234 3.037 . 0 0 "[ . 1 . 2]" 1
685 1 44 LYS QB 1 44 LYS QG 2.000 . 2.800 2.037 1.989 2.074 . 0 0 "[ . 1 . 2]" 1
686 1 44 LYS H 1 44 LYS QB 3.500 . 4.500 2.520 2.358 2.684 . 0 0 "[ . 1 . 2]" 1
687 1 44 LYS HA 1 45 ARG H 2.500 . 3.500 2.293 2.229 2.388 . 0 0 "[ . 1 . 2]" 1
688 1 44 LYS HB3 1 45 ARG H 3.500 . 4.500 2.725 2.458 2.899 . 0 0 "[ . 1 . 2]" 1
689 1 44 LYS HB2 1 45 ARG H 3.500 . 4.500 3.781 3.532 4.040 . 0 0 "[ . 1 . 2]" 1
690 1 44 LYS QB 1 53 PHE QD 3.500 . 4.500 3.291 3.050 3.630 . 0 0 "[ . 1 . 2]" 1
691 1 44 LYS HB3 1 53 PHE HB3 3.500 . 4.500 2.182 1.999 2.365 0.001 16 0 "[ . 1 . 2]" 1
692 1 44 LYS HB2 1 53 PHE HB3 3.500 . 4.500 2.836 2.154 3.298 . 0 0 "[ . 1 . 2]" 1
693 1 44 LYS HA 1 55 LEU HA 5.000 2.500 6.000 2.784 2.558 3.074 . 0 0 "[ . 1 . 2]" 1
694 1 44 LYS HA 1 55 LEU QD 5.000 2.500 6.000 3.741 3.262 4.404 . 0 0 "[ . 1 . 2]" 1
695 1 44 LYS QB 1 55 LEU HA 3.500 . 4.500 3.947 3.502 4.324 . 0 0 "[ . 1 . 2]" 1
696 1 44 LYS QB 1 55 LEU QD 3.500 . 4.500 4.123 3.774 4.411 . 0 0 "[ . 1 . 2]" 1
697 1 44 LYS QG 1 55 LEU HA 3.500 . 4.500 3.298 2.043 4.503 0.003 1 0 "[ . 1 . 2]" 1
698 1 44 LYS QG 1 55 LEU QD 5.000 2.500 6.000 2.965 2.494 3.678 0.006 11 0 "[ . 1 . 2]" 1
699 1 44 LYS H 1 55 LEU QD 5.000 2.500 6.000 5.023 4.624 5.491 . 0 0 "[ . 1 . 2]" 1
700 1 44 LYS HA 1 56 LEU QD 3.500 . 4.500 3.342 2.410 4.286 . 0 0 "[ . 1 . 2]" 1
701 1 44 LYS HA 1 56 LEU HG 5.000 2.500 6.000 4.795 3.752 5.475 . 0 0 "[ . 1 . 2]" 1
702 1 44 LYS HA 1 56 LEU H 3.500 . 4.500 3.034 2.667 3.225 . 0 0 "[ . 1 . 2]" 1
703 1 44 LYS H 1 56 LEU QD 5.000 2.500 6.000 3.902 3.296 4.585 . 0 0 "[ . 1 . 2]" 1
704 1 45 ARG HA 1 45 ARG QD 2.500 . 3.500 3.051 2.308 3.491 . 0 0 "[ . 1 . 2]" 1
705 1 45 ARG HA 1 45 ARG HE 5.000 2.500 6.000 4.592 3.751 5.089 . 0 0 "[ . 1 . 2]" 1
706 1 45 ARG HA 1 45 ARG QG 3.500 . 4.500 2.229 2.082 2.716 . 0 0 "[ . 1 . 2]" 1
707 1 45 ARG H 1 45 ARG HA 2.500 . 3.500 2.945 2.938 2.949 . 0 0 "[ . 1 . 2]" 1
708 1 45 ARG H 1 45 ARG HB3 3.500 . 4.500 3.047 2.809 3.760 . 0 0 "[ . 1 . 2]" 1
709 1 45 ARG QD 1 45 ARG HE 5.000 2.500 6.000 2.490 2.482 2.493 0.018 20 0 "[ . 1 . 2]" 1
710 1 45 ARG H 1 45 ARG QD 3.500 . 4.500 4.452 4.259 4.503 0.003 15 0 "[ . 1 . 2]" 1
711 1 45 ARG H 1 45 ARG HB2 3.500 . 4.500 2.710 2.522 2.990 . 0 0 "[ . 1 . 2]" 1
712 1 45 ARG HE 1 45 ARG QG 3.500 . 4.500 2.211 2.103 2.269 . 0 0 "[ . 1 . 2]" 1
713 1 45 ARG H 1 45 ARG QG 3.500 . 4.500 3.978 2.554 4.235 . 0 0 "[ . 1 . 2]" 1
714 1 45 ARG HA 1 46 TYR H 2.500 . 3.500 2.198 2.143 2.512 . 0 0 "[ . 1 . 2]" 1
715 1 45 ARG QG 1 46 TYR H 5.000 2.500 6.000 3.140 2.508 4.503 . 0 0 "[ . 1 . 2]" 1
716 1 45 ARG H 1 53 PHE QD 3.500 . 4.500 4.262 3.696 4.504 0.004 17 0 "[ . 1 . 2]" 1
717 1 45 ARG H 1 54 HIS H 3.500 . 4.500 2.868 2.543 3.251 . 0 0 "[ . 1 . 2]" 1
718 1 45 ARG H 1 56 LEU HA 3.500 . 4.500 4.356 4.059 4.496 . 0 0 "[ . 1 . 2]" 1
719 1 45 ARG H 1 56 LEU QD 3.500 . 4.500 3.609 2.725 4.506 0.006 20 0 "[ . 1 . 2]" 1
720 1 45 ARG HA 1 59 PHE QE 5.000 2.500 6.000 5.654 5.261 5.985 . 0 0 "[ . 1 . 2]" 1
721 1 45 ARG QB 1 59 PHE QD 5.000 2.500 6.000 4.155 3.693 4.798 . 0 0 "[ . 1 . 2]" 1
722 1 45 ARG QB 1 59 PHE QE 5.000 2.500 6.000 3.119 2.653 3.457 . 0 0 "[ . 1 . 2]" 1
723 1 45 ARG QB 1 59 PHE HZ 5.000 2.500 6.000 2.926 2.499 3.662 0.001 6 0 "[ . 1 . 2]" 1
724 1 45 ARG QD 1 59 PHE HZ 5.000 2.500 6.000 4.122 2.981 5.420 . 0 0 "[ . 1 . 2]" 1
725 1 45 ARG QG 1 59 PHE QE 5.000 2.500 6.000 3.919 2.818 4.741 . 0 0 "[ . 1 . 2]" 1
726 1 45 ARG QG 1 59 PHE HZ 5.000 2.500 6.000 4.503 3.439 5.279 . 0 0 "[ . 1 . 2]" 1
727 1 46 TYR QB 1 46 TYR QE 3.500 . 4.500 3.936 3.935 3.940 . 0 0 "[ . 1 . 2]" 1
728 1 46 TYR H 1 46 TYR HB3 3.500 . 4.500 2.566 2.497 2.720 . 0 0 "[ . 1 . 2]" 1
729 1 46 TYR H 1 46 TYR HB2 3.500 . 4.500 2.514 2.348 2.832 . 0 0 "[ . 1 . 2]" 1
730 1 46 TYR QB 1 47 CYS H 3.500 . 4.500 3.901 3.764 4.000 . 0 0 "[ . 1 . 2]" 1
731 1 46 TYR QE 1 47 CYS H 5.000 2.500 6.000 4.992 4.570 5.396 . 0 0 "[ . 1 . 2]" 1
732 1 46 TYR QE 1 48 GLN HA 2.500 . 3.500 2.806 2.243 3.357 . 0 0 "[ . 1 . 2]" 1
733 1 46 TYR QE 1 48 GLN HB2 5.000 2.500 6.000 5.110 4.640 5.895 . 0 0 "[ . 1 . 2]" 1
734 1 46 TYR QE 1 48 GLN QE 5.000 2.500 6.000 4.252 2.592 5.529 . 0 0 "[ . 1 . 2]" 1
735 1 46 TYR QE 1 48 GLN QG 3.500 . 4.500 2.798 2.029 4.330 . 0 0 "[ . 1 . 2]" 1
736 1 46 TYR QE 1 51 GLY H 5.000 2.500 6.000 4.690 4.013 5.272 . 0 0 "[ . 1 . 2]" 1
737 1 46 TYR QE 1 52 LYS H 5.000 2.500 6.000 5.434 5.069 5.767 . 0 0 "[ . 1 . 2]" 1
738 1 46 TYR QB 1 53 PHE QE 3.500 . 4.500 2.385 2.074 2.664 . 0 0 "[ . 1 . 2]" 1
739 1 46 TYR QB 1 53 PHE HZ 3.500 . 4.500 4.443 4.194 4.507 0.007 6 0 "[ . 1 . 2]" 1
740 1 46 TYR QE 1 53 PHE QD 5.000 2.500 6.000 5.428 5.035 5.818 . 0 0 "[ . 1 . 2]" 1
741 1 46 TYR QE 1 53 PHE QE 5.000 2.500 6.000 4.713 4.277 5.142 . 0 0 "[ . 1 . 2]" 1
742 1 46 TYR H 1 53 PHE QD 3.500 . 4.500 3.566 3.301 3.888 . 0 0 "[ . 1 . 2]" 1
743 1 46 TYR H 1 53 PHE QE 3.500 . 4.500 3.711 2.989 4.410 . 0 0 "[ . 1 . 2]" 1
744 1 46 TYR QB 1 54 HIS H 5.000 2.500 6.000 5.619 5.306 5.880 . 0 0 "[ . 1 . 2]" 1
745 1 47 CYS HA 1 47 CYS QB 3.500 . 4.500 2.379 2.346 2.427 . 0 0 "[ . 1 . 2]" 1
746 1 47 CYS H 1 47 CYS HB3 3.500 . 4.500 2.542 2.447 2.670 . 0 0 "[ . 1 . 2]" 1
747 1 47 CYS H 1 47 CYS HB2 3.500 . 4.500 2.609 2.448 2.738 . 0 0 "[ . 1 . 2]" 1
748 1 47 CYS HA 1 48 GLN H 2.500 . 3.500 2.151 2.143 2.173 . 0 0 "[ . 1 . 2]" 1
749 1 47 CYS QB 1 48 GLN H 5.000 2.500 6.000 3.900 3.852 3.957 . 0 0 "[ . 1 . 2]" 1
750 1 47 CYS HA 1 49 GLN H 5.000 2.500 6.000 3.631 3.389 4.266 . 0 0 "[ . 1 . 2]" 1
751 1 47 CYS QB 1 50 CYS HB2 3.500 . 4.500 2.825 2.502 3.247 . 0 0 "[ . 1 . 2]" 1
752 1 47 CYS QB 1 50 CYS H 5.000 2.500 6.000 2.888 2.621 3.307 . 0 0 "[ . 1 . 2]" 1
753 1 47 CYS QB 1 51 GLY H 5.000 2.500 6.000 2.906 2.518 3.517 . 0 0 "[ . 1 . 2]" 1
754 1 47 CYS QB 1 52 LYS H 3.500 . 4.500 4.030 3.738 4.352 . 0 0 "[ . 1 . 2]" 1
755 1 47 CYS H 1 52 LYS H 5.000 2.500 6.000 5.046 4.756 5.327 . 0 0 "[ . 1 . 2]" 1
756 1 47 CYS H 1 53 PHE HA 3.500 . 4.500 3.169 2.798 3.466 . 0 0 "[ . 1 . 2]" 1
757 1 47 CYS H 1 53 PHE QD 5.000 2.500 6.000 3.978 3.721 4.304 . 0 0 "[ . 1 . 2]" 1
758 1 47 CYS QB 1 54 HIS HD2 2.500 . 3.500 2.126 1.942 2.414 . 0 0 "[ . 1 . 2]" 1
759 1 47 CYS H 1 54 HIS HD2 5.000 2.500 6.000 4.676 4.460 5.067 . 0 0 "[ . 1 . 2]" 1
760 1 47 CYS H 1 54 HIS H 5.000 2.500 6.000 3.747 3.335 4.247 . 0 0 "[ . 1 . 2]" 1
761 1 47 CYS HA 1 59 PHE QE 3.500 . 4.500 4.074 3.258 4.508 0.008 2 0 "[ . 1 . 2]" 1
762 1 47 CYS QB 1 59 PHE QE 3.500 . 4.500 3.958 3.215 4.374 . 0 0 "[ . 1 . 2]" 1
763 1 47 CYS H 1 59 PHE QE 5.000 2.500 6.000 5.466 5.036 5.801 . 0 0 "[ . 1 . 2]" 1
764 1 47 CYS HA 1 65 SER HA 3.500 . 4.500 3.267 2.883 4.160 . 0 0 "[ . 1 . 2]" 1
765 1 48 GLN HA 1 48 GLN HB3 2.500 . 3.500 2.573 2.406 2.693 . 0 0 "[ . 1 . 2]" 1
766 1 48 GLN HA 1 48 GLN QG 3.500 . 4.500 2.327 2.082 2.663 . 0 0 "[ . 1 . 2]" 1
767 1 48 GLN HA 1 48 GLN HG3 3.500 . 4.500 3.081 2.213 3.805 . 0 0 "[ . 1 . 2]" 1
768 1 48 GLN HA 1 48 GLN HG2 3.500 . 4.500 2.581 2.102 3.528 . 0 0 "[ . 1 . 2]" 1
769 1 48 GLN HB3 1 48 GLN QG 3.500 . 4.500 2.370 2.135 2.525 . 0 0 "[ . 1 . 2]" 1
770 1 48 GLN H 1 48 GLN HB3 3.500 . 4.500 3.538 3.466 3.604 . 0 0 "[ . 1 . 2]" 1
771 1 48 GLN HB2 1 48 GLN QG 3.500 . 4.500 2.290 2.128 2.523 . 0 0 "[ . 1 . 2]" 1
772 1 48 GLN H 1 48 GLN HB2 3.500 . 4.500 2.327 2.153 2.632 . 0 0 "[ . 1 . 2]" 1
773 1 48 GLN QE 1 48 GLN QG 3.500 . 4.500 2.212 2.067 2.554 . 0 0 "[ . 1 . 2]" 1
774 1 48 GLN H 1 48 GLN QG 2.500 . 3.500 2.692 2.126 3.101 . 0 0 "[ . 1 . 2]" 1
775 1 48 GLN HA 1 49 GLN H 5.000 2.500 6.000 3.168 2.562 3.470 . 0 0 "[ . 1 . 2]" 1
776 1 48 GLN HB3 1 49 GLN H 3.500 . 4.500 4.118 3.807 4.385 . 0 0 "[ . 1 . 2]" 1
777 1 48 GLN HB2 1 49 GLN H 3.500 . 4.500 3.666 2.966 4.468 . 0 0 "[ . 1 . 2]" 1
778 1 48 GLN H 1 49 GLN H 2.500 . 3.500 2.859 2.605 3.558 0.058 10 0 "[ . 1 . 2]" 1
779 1 48 GLN HA 1 51 GLY H 5.000 2.500 6.000 3.766 3.185 4.263 . 0 0 "[ . 1 . 2]" 1
780 1 48 GLN H 1 65 SER HA 3.500 . 4.500 3.961 3.576 4.418 . 0 0 "[ . 1 . 2]" 1
781 1 49 GLN HA 1 49 GLN QB 2.000 . 2.800 2.468 2.339 2.535 . 0 0 "[ . 1 . 2]" 1
782 1 49 GLN HA 1 49 GLN QG 3.500 . 4.500 2.216 2.027 2.543 . 0 0 "[ . 1 . 2]" 1
783 1 49 GLN HA 1 49 GLN HG3 3.500 . 4.500 2.908 2.405 3.488 . 0 0 "[ . 1 . 2]" 1
784 1 49 GLN HA 1 49 GLN HG2 3.500 . 4.500 2.515 2.051 3.758 . 0 0 "[ . 1 . 2]" 1
785 1 49 GLN QB 1 49 GLN QE 5.000 2.500 6.000 3.023 2.603 3.553 . 0 0 "[ . 1 . 2]" 1
786 1 49 GLN QB 1 49 GLN QG 2.000 . 2.800 2.052 2.021 2.086 . 0 0 "[ . 1 . 2]" 1
787 1 49 GLN H 1 49 GLN QB 2.500 . 3.500 2.375 2.073 2.854 . 0 0 "[ . 1 . 2]" 1
788 1 49 GLN QE 1 49 GLN HG3 3.500 . 4.500 2.506 2.112 3.320 . 0 0 "[ . 1 . 2]" 1
789 1 49 GLN QE 1 49 GLN HG2 3.500 . 4.500 2.826 2.205 3.317 . 0 0 "[ . 1 . 2]" 1
790 1 49 GLN H 1 49 GLN HG3 3.500 . 4.500 4.026 3.137 4.479 . 0 0 "[ . 1 . 2]" 1
791 1 49 GLN H 1 49 GLN HG2 3.500 . 4.500 4.265 3.478 4.518 0.018 19 0 "[ . 1 . 2]" 1
792 1 49 GLN HA 1 50 CYS H 5.000 2.500 6.000 3.503 3.467 3.533 . 0 0 "[ . 1 . 2]" 1
793 1 49 GLN QB 1 50 CYS H 2.500 . 3.500 2.832 2.641 2.990 . 0 0 "[ . 1 . 2]" 1
794 1 49 GLN QG 1 50 CYS H 3.500 . 4.500 4.308 3.845 4.493 . 0 0 "[ . 1 . 2]" 1
795 1 49 GLN H 1 50 CYS H 2.500 . 3.500 2.219 1.862 2.729 . 0 0 "[ . 1 . 2]" 1
796 1 49 GLN QB 1 65 SER HB3 3.500 . 4.500 2.479 1.997 3.292 0.003 14 0 "[ . 1 . 2]" 1
797 1 49 GLN QG 1 65 SER HB3 5.000 2.500 6.000 3.285 2.499 5.402 0.001 5 0 "[ . 1 . 2]" 1
798 1 49 GLN H 1 65 SER HA 5.000 2.500 6.000 4.456 3.289 5.841 . 0 0 "[ . 1 . 2]" 1
799 1 49 GLN QE 1 66 CYS H 5.000 2.500 6.000 4.908 4.064 6.000 0.000 7 0 "[ . 1 . 2]" 1
800 1 49 GLN QG 1 66 CYS H 5.000 2.500 6.000 5.040 4.486 5.832 . 0 0 "[ . 1 . 2]" 1
801 1 49 GLN QE 1 68 ARG H 5.000 2.500 6.000 5.064 3.767 5.854 . 0 0 "[ . 1 . 2]" 1
802 1 49 GLN QE 1 70 LEU MD1 5.000 2.500 6.000 3.709 2.500 5.328 . 0 0 "[ . 1 . 2]" 1
803 1 49 GLN QE 1 70 LEU MD2 5.000 2.500 6.000 4.028 2.504 5.687 . 0 0 "[ . 1 . 2]" 1
804 1 49 GLN QG 1 70 LEU QD 5.000 2.500 6.000 4.736 3.829 5.716 . 0 0 "[ . 1 . 2]" 1
805 1 50 CYS HA 1 50 CYS HB3 2.500 . 3.500 2.408 2.372 2.477 . 0 0 "[ . 1 . 2]" 1
806 1 50 CYS H 1 50 CYS HB3 3.500 . 4.500 3.772 3.715 3.825 . 0 0 "[ . 1 . 2]" 1
807 1 50 CYS H 1 50 CYS HB2 3.500 . 4.500 2.695 2.575 2.787 . 0 0 "[ . 1 . 2]" 1
808 1 50 CYS HA 1 51 GLY H 5.000 2.500 6.000 3.473 3.450 3.496 . 0 0 "[ . 1 . 2]" 1
809 1 50 CYS HB3 1 51 GLY H 5.000 2.500 6.000 4.044 3.957 4.131 . 0 0 "[ . 1 . 2]" 1
810 1 50 CYS HB2 1 51 GLY H 3.500 . 4.500 2.973 2.877 3.074 . 0 0 "[ . 1 . 2]" 1
811 1 50 CYS H 1 51 GLY H 2.500 . 3.500 1.941 1.873 2.030 . 0 0 "[ . 1 . 2]" 1
812 1 50 CYS HB3 1 52 LYS H 5.000 2.500 6.000 3.371 3.136 3.519 . 0 0 "[ . 1 . 2]" 1
813 1 50 CYS HB2 1 52 LYS H 3.500 . 4.500 2.980 2.782 3.236 . 0 0 "[ . 1 . 2]" 1
814 1 50 CYS H 1 52 LYS H 5.000 2.500 6.000 4.434 4.302 4.667 . 0 0 "[ . 1 . 2]" 1
815 1 50 CYS HB3 1 54 HIS HE1 3.500 . 4.500 4.373 4.225 4.501 0.001 17 0 "[ . 1 . 2]" 1
816 1 50 CYS HB2 1 54 HIS HD2 5.000 2.500 6.000 4.538 4.281 4.717 . 0 0 "[ . 1 . 2]" 1
817 1 50 CYS HB2 1 54 HIS HE1 3.500 . 4.500 3.953 3.653 4.165 . 0 0 "[ . 1 . 2]" 1
818 1 50 CYS HB2 1 66 CYS H 5.000 2.500 6.000 5.971 5.775 6.020 0.020 6 0 "[ . 1 . 2]" 1
819 1 51 GLY H 1 51 GLY QA 2.500 . 3.500 2.270 2.266 2.277 . 0 0 "[ . 1 . 2]" 1
820 1 51 GLY HA3 1 52 LYS H 3.500 . 4.500 2.798 2.703 2.845 . 0 0 "[ . 1 . 2]" 1
821 1 51 GLY HA2 1 52 LYS H 3.500 . 4.500 3.542 3.529 3.560 . 0 0 "[ . 1 . 2]" 1
822 1 51 GLY H 1 52 LYS H 3.500 . 4.500 3.133 3.061 3.271 . 0 0 "[ . 1 . 2]" 1
823 1 52 LYS HA 1 52 LYS QB 2.000 . 2.800 2.244 2.175 2.347 . 0 0 "[ . 1 . 2]" 1
824 1 52 LYS HA 1 52 LYS QG 5.000 2.500 6.000 2.972 2.499 3.359 0.001 3 0 "[ . 1 . 2]" 1
825 1 52 LYS QB 1 52 LYS QG 3.500 . 4.500 2.055 2.014 2.086 . 0 0 "[ . 1 . 2]" 1
826 1 52 LYS H 1 52 LYS HB3 5.000 2.500 6.000 3.105 2.495 3.604 0.005 10 0 "[ . 1 . 2]" 1
827 1 52 LYS H 1 52 LYS HB2 5.000 2.500 6.000 3.122 2.577 3.600 . 0 0 "[ . 1 . 2]" 1
828 1 52 LYS H 1 52 LYS QG 3.500 . 4.500 2.127 1.995 2.467 0.005 6 0 "[ . 1 . 2]" 1
829 1 52 LYS HA 1 53 PHE QD 5.000 2.500 6.000 4.646 4.503 4.788 . 0 0 "[ . 1 . 2]" 1
830 1 52 LYS HA 1 53 PHE H 2.500 . 3.500 2.594 2.415 2.750 . 0 0 "[ . 1 . 2]" 1
831 1 52 LYS HB3 1 53 PHE H 3.500 . 4.500 2.845 1.996 3.722 0.004 6 0 "[ . 1 . 2]" 1
832 1 52 LYS HB2 1 53 PHE H 3.500 . 4.500 2.572 1.998 3.369 0.002 1 0 "[ . 1 . 2]" 1
833 1 52 LYS HG3 1 53 PHE H 5.000 2.500 6.000 4.137 3.284 5.047 . 0 0 "[ . 1 . 2]" 1
834 1 52 LYS HG2 1 53 PHE H 5.000 2.500 6.000 4.439 3.718 4.663 . 0 0 "[ . 1 . 2]" 1
835 1 52 LYS HB3 1 54 HIS HE1 5.000 2.500 6.000 5.034 4.015 5.684 . 0 0 "[ . 1 . 2]" 1
836 1 52 LYS HB2 1 54 HIS HE1 5.000 2.500 6.000 4.115 2.756 5.222 . 0 0 "[ . 1 . 2]" 1
837 1 52 LYS QG 1 54 HIS HE1 3.500 . 4.500 3.638 2.213 4.503 0.003 2 0 "[ . 1 . 2]" 1
838 1 52 LYS H 1 54 HIS HE1 5.000 2.500 6.000 5.365 4.762 5.721 . 0 0 "[ . 1 . 2]" 1
839 1 53 PHE HA 1 53 PHE QD 2.500 . 3.500 2.130 1.993 2.272 . 0 0 "[ . 1 . 2]" 1
840 1 53 PHE HA 1 53 PHE QE 5.000 2.500 6.000 4.266 4.192 4.355 . 0 0 "[ . 1 . 2]" 1
841 1 53 PHE HB3 1 53 PHE QD 2.500 . 3.500 2.682 2.637 2.725 . 0 0 "[ . 1 . 2]" 1
842 1 53 PHE H 1 53 PHE HB3 3.500 . 4.500 3.602 3.563 3.648 . 0 0 "[ . 1 . 2]" 1
843 1 53 PHE HB2 1 53 PHE QD 2.500 . 3.500 2.271 2.263 2.287 . 0 0 "[ . 1 . 2]" 1
844 1 53 PHE H 1 53 PHE HB2 2.500 . 3.500 2.353 2.290 2.427 . 0 0 "[ . 1 . 2]" 1
845 1 53 PHE H 1 53 PHE QD 2.500 . 3.500 3.432 3.242 3.503 0.003 5 0 "[ . 1 . 2]" 1
846 1 53 PHE H 1 53 PHE QE 5.000 2.500 6.000 5.092 4.914 5.269 . 0 0 "[ . 1 . 2]" 1
847 1 53 PHE HA 1 54 HIS H 2.500 . 3.500 2.218 2.143 2.329 . 0 0 "[ . 1 . 2]" 1
848 1 53 PHE HB3 1 54 HIS H 3.500 . 4.500 3.056 2.629 3.740 . 0 0 "[ . 1 . 2]" 1
849 1 53 PHE HB2 1 54 HIS H 5.000 2.500 6.000 4.156 3.897 4.480 . 0 0 "[ . 1 . 2]" 1
850 1 53 PHE QD 1 54 HIS H 5.000 2.500 6.000 3.377 3.091 3.834 . 0 0 "[ . 1 . 2]" 1
851 1 54 HIS HA 1 54 HIS HB3 2.500 . 3.500 2.571 2.524 2.607 . 0 0 "[ . 1 . 2]" 1
852 1 54 HIS H 1 54 HIS HB3 5.000 2.500 6.000 3.705 3.591 3.791 . 0 0 "[ . 1 . 2]" 1
853 1 54 HIS HB2 1 54 HIS HD2 3.500 . 4.500 2.837 2.797 2.898 . 0 0 "[ . 1 . 2]" 1
854 1 54 HIS H 1 54 HIS HB2 3.500 . 4.500 2.540 2.340 2.693 . 0 0 "[ . 1 . 2]" 1
855 1 54 HIS H 1 54 HIS HD2 5.000 2.500 6.000 4.860 4.363 5.166 . 0 0 "[ . 1 . 2]" 1
856 1 54 HIS HA 1 55 LEU QB 3.500 . 4.500 4.212 4.067 4.387 . 0 0 "[ . 1 . 2]" 1
857 1 54 HIS HA 1 55 LEU H 2.500 . 3.500 2.474 2.314 2.621 . 0 0 "[ . 1 . 2]" 1
858 1 54 HIS HB3 1 55 LEU H 3.500 . 4.500 2.290 1.996 2.665 0.004 10 0 "[ . 1 . 2]" 1
859 1 54 HIS HB2 1 55 LEU H 3.500 . 4.500 3.635 3.347 3.923 . 0 0 "[ . 1 . 2]" 1
860 1 54 HIS HB3 1 58 ASP QB 5.000 2.500 6.000 3.957 3.332 4.476 . 0 0 "[ . 1 . 2]" 1
861 1 54 HIS HB2 1 58 ASP QB 5.000 2.500 6.000 5.334 4.666 5.900 . 0 0 "[ . 1 . 2]" 1
862 1 54 HIS HB2 1 59 PHE QE 5.000 2.500 6.000 2.592 2.492 2.913 0.008 15 0 "[ . 1 . 2]" 1
863 1 54 HIS HB2 1 59 PHE HZ 3.500 . 4.500 2.911 2.165 4.113 . 0 0 "[ . 1 . 2]" 1
864 1 54 HIS HD2 1 59 PHE QE 3.500 . 4.500 3.636 2.553 4.263 . 0 0 "[ . 1 . 2]" 1
865 1 54 HIS HD2 1 59 PHE HZ 5.000 2.500 6.000 3.643 2.951 4.529 . 0 0 "[ . 1 . 2]" 1
866 1 54 HIS H 1 59 PHE QE 5.000 2.500 6.000 4.640 4.249 5.032 . 0 0 "[ . 1 . 2]" 1
867 1 54 HIS HD2 1 66 CYS HA 5.000 2.500 6.000 4.036 3.171 4.439 . 0 0 "[ . 1 . 2]" 1
868 1 54 HIS HD2 1 66 CYS QB 2.500 . 3.500 2.581 2.155 3.535 0.035 6 0 "[ . 1 . 2]" 1
869 1 54 HIS HD2 1 66 CYS H 5.000 2.500 6.000 3.003 2.664 3.786 . 0 0 "[ . 1 . 2]" 1
870 1 55 LEU HA 1 55 LEU QB 2.500 . 3.500 2.520 2.462 2.538 . 0 0 "[ . 1 . 2]" 1
871 1 55 LEU HA 1 55 LEU QD 2.500 . 3.500 2.113 1.854 2.710 . 0 0 "[ . 1 . 2]" 1
872 1 55 LEU QB 1 55 LEU QD 2.500 . 3.500 1.928 1.798 2.093 . 0 0 "[ . 1 . 2]" 1
873 1 55 LEU H 1 55 LEU QB 2.000 . 2.800 2.125 2.039 2.219 . 0 0 "[ . 1 . 2]" 1
874 1 55 LEU H 1 55 LEU MD1 3.500 . 4.500 3.613 2.830 4.183 . 0 0 "[ . 1 . 2]" 1
875 1 55 LEU H 1 55 LEU MD2 3.500 . 4.500 3.887 2.486 4.355 . 0 0 "[ . 1 . 2]" 1
876 1 55 LEU HA 1 56 LEU H 2.500 . 3.500 2.206 2.157 2.255 . 0 0 "[ . 1 . 2]" 1
877 1 55 LEU QB 1 56 LEU H 3.500 . 4.500 3.228 3.011 3.452 . 0 0 "[ . 1 . 2]" 1
878 1 55 LEU QD 1 56 LEU H 5.000 2.500 6.000 3.073 2.491 3.799 0.009 2 0 "[ . 1 . 2]" 1
879 1 55 LEU HG 1 56 LEU H 5.000 2.500 6.000 3.698 2.518 5.075 . 0 0 "[ . 1 . 2]" 1
880 1 55 LEU QB 1 57 PRO QD 2.500 . 3.500 2.082 1.885 2.510 . 0 0 "[ . 1 . 2]" 1
881 1 55 LEU MD1 1 57 PRO QD 3.500 . 4.500 3.281 1.998 4.049 0.002 3 0 "[ . 1 . 2]" 1
882 1 55 LEU MD2 1 57 PRO QD 3.500 . 4.500 2.835 1.996 4.204 0.004 2 0 "[ . 1 . 2]" 1
883 1 55 LEU QB 1 58 ASP H 5.000 2.500 6.000 2.862 2.501 4.722 . 0 0 "[ . 1 . 2]" 1
884 1 55 LEU H 1 58 ASP QB 5.000 2.500 6.000 3.556 3.068 4.222 . 0 0 "[ . 1 . 2]" 1
885 1 56 LEU HA 1 56 LEU QB 2.500 . 3.500 2.534 2.529 2.536 . 0 0 "[ . 1 . 2]" 1
886 1 56 LEU HA 1 56 LEU QD 2.500 . 3.500 2.524 2.103 2.892 . 0 0 "[ . 1 . 2]" 1
887 1 56 LEU QB 1 56 LEU QD 2.500 . 3.500 1.869 1.763 1.939 . 0 0 "[ . 1 . 2]" 1
888 1 56 LEU HB3 1 56 LEU QD 2.500 . 3.500 2.080 1.957 2.271 . 0 0 "[ . 1 . 2]" 1
889 1 56 LEU H 1 56 LEU HB3 3.500 . 4.500 3.249 3.171 3.311 . 0 0 "[ . 1 . 2]" 1
890 1 56 LEU HB2 1 56 LEU QD 2.500 . 3.500 2.128 1.957 2.365 . 0 0 "[ . 1 . 2]" 1
891 1 56 LEU H 1 56 LEU HB2 3.500 . 4.500 2.076 2.065 2.095 . 0 0 "[ . 1 . 2]" 1
892 1 56 LEU H 1 56 LEU MD1 3.500 . 4.500 3.396 2.747 4.113 . 0 0 "[ . 1 . 2]" 1
893 1 56 LEU H 1 56 LEU MD2 3.500 . 4.500 4.319 4.111 4.479 . 0 0 "[ . 1 . 2]" 1
894 1 56 LEU HA 1 57 PRO QD 5.000 2.500 6.000 3.521 3.495 3.536 . 0 0 "[ . 1 . 2]" 1
895 1 56 LEU QB 1 57 PRO QD 5.000 2.500 6.000 2.439 2.399 2.457 0.101 2 0 "[ . 1 . 2]" 1
896 1 56 LEU H 1 57 PRO QD 2.500 . 3.500 2.020 1.942 2.214 . 0 0 "[ . 1 . 2]" 1
897 1 56 LEU HA 1 58 ASP H 5.000 2.500 6.000 3.820 3.710 3.993 . 0 0 "[ . 1 . 2]" 1
898 1 56 LEU HA 1 59 PHE QB 5.000 2.500 6.000 3.699 2.786 5.991 . 0 0 "[ . 1 . 2]" 1
899 1 56 LEU HA 1 59 PHE QD 5.000 2.500 6.000 3.443 2.499 4.948 0.001 16 0 "[ . 1 . 2]" 1
900 1 56 LEU HA 1 59 PHE QE 5.000 2.500 6.000 4.090 2.865 4.915 . 0 0 "[ . 1 . 2]" 1
901 1 56 LEU HA 1 59 PHE H 5.000 2.500 6.000 4.656 3.439 5.451 . 0 0 "[ . 1 . 2]" 1
902 1 56 LEU HA 1 59 PHE HZ 5.000 2.500 6.000 5.413 4.101 6.007 0.007 10 0 "[ . 1 . 2]" 1
903 1 57 PRO HA 1 57 PRO QD 3.500 . 4.500 3.360 3.262 3.497 . 0 0 "[ . 1 . 2]" 1
904 1 57 PRO HA 1 57 PRO QG 3.500 . 4.500 3.423 2.911 3.515 . 0 0 "[ . 1 . 2]" 1
905 1 57 PRO QB 1 57 PRO QD 2.500 . 3.500 2.760 2.736 2.845 . 0 0 "[ . 1 . 2]" 1
906 1 57 PRO QB 1 57 PRO HD3 3.500 . 4.500 2.982 2.851 3.544 . 0 0 "[ . 1 . 2]" 1
907 1 57 PRO QB 1 57 PRO HD2 3.500 . 4.500 3.422 2.860 3.527 . 0 0 "[ . 1 . 2]" 1
908 1 57 PRO HD3 1 57 PRO QG 2.500 . 3.500 2.225 2.180 2.244 . 0 0 "[ . 1 . 2]" 1
909 1 57 PRO HD2 1 57 PRO QG 2.500 . 3.500 2.187 2.174 2.250 . 0 0 "[ . 1 . 2]" 1
910 1 57 PRO HA 1 58 ASP H 3.500 . 4.500 3.370 2.666 3.513 . 0 0 "[ . 1 . 2]" 1
911 1 57 PRO QB 1 58 ASP H 5.000 2.500 6.000 3.466 2.816 4.008 . 0 0 "[ . 1 . 2]" 1
912 1 57 PRO HD3 1 58 ASP H 5.000 2.500 6.000 4.055 3.893 4.778 . 0 0 "[ . 1 . 2]" 1
913 1 57 PRO HD2 1 58 ASP H 5.000 2.500 6.000 3.004 2.681 4.234 . 0 0 "[ . 1 . 2]" 1
914 1 57 PRO QG 1 58 ASP H 5.000 2.500 6.000 3.131 2.652 4.818 . 0 0 "[ . 1 . 2]" 1
915 1 57 PRO HA 1 59 PHE H 5.000 2.500 6.000 3.784 3.442 4.547 . 0 0 "[ . 1 . 2]" 1
916 1 57 PRO QD 1 59 PHE H 5.000 2.500 6.000 5.167 4.745 5.714 . 0 0 "[ . 1 . 2]" 1
917 1 58 ASP H 1 58 ASP HB3 3.500 . 4.500 3.224 2.725 3.717 . 0 0 "[ . 1 . 2]" 1
918 1 58 ASP H 1 58 ASP HB2 3.500 . 4.500 2.473 2.151 3.403 . 0 0 "[ . 1 . 2]" 1
919 1 58 ASP HA 1 59 PHE H 5.000 2.500 6.000 2.884 2.505 3.559 . 0 0 "[ . 1 . 2]" 1
920 1 58 ASP QB 1 59 PHE H 5.000 2.500 6.000 3.713 2.492 3.992 0.008 2 0 "[ . 1 . 2]" 1
921 1 58 ASP H 1 59 PHE H 3.500 . 4.500 2.900 1.999 3.568 0.001 5 0 "[ . 1 . 2]" 1
922 1 59 PHE HA 1 59 PHE QB 3.500 . 4.500 2.460 2.179 2.541 . 0 0 "[ . 1 . 2]" 1
923 1 59 PHE H 1 59 PHE HA 5.000 2.500 6.000 2.939 2.895 2.949 . 0 0 "[ . 1 . 2]" 1
924 1 59 PHE QB 1 59 PHE QD 3.500 . 4.500 2.147 2.123 2.198 . 0 0 "[ . 1 . 2]" 1
925 1 59 PHE H 1 59 PHE QB 3.500 . 4.500 2.536 2.273 3.154 . 0 0 "[ . 1 . 2]" 1
926 1 59 PHE H 1 59 PHE QD 3.500 . 4.500 3.194 2.545 3.780 . 0 0 "[ . 1 . 2]" 1
927 1 59 PHE HA 1 60 ASP H 3.500 . 4.500 2.325 2.173 2.495 . 0 0 "[ . 1 . 2]" 1
928 1 59 PHE QB 1 60 ASP H 5.000 2.500 6.000 2.719 2.495 3.117 0.005 10 0 "[ . 1 . 2]" 1
929 1 59 PHE HZ 1 64 ARG HA 5.000 2.500 6.000 5.135 3.725 5.937 . 0 0 "[ . 1 . 2]" 1
930 1 59 PHE HZ 1 65 SER HA 5.000 2.500 6.000 3.563 2.651 5.239 . 0 0 "[ . 1 . 2]" 1
931 1 59 PHE HA 1 66 CYS HA 5.000 2.500 6.000 4.144 3.635 5.534 . 0 0 "[ . 1 . 2]" 1
932 1 59 PHE QE 1 66 CYS QB 5.000 2.500 6.000 4.050 2.923 5.545 . 0 0 "[ . 1 . 2]" 1
933 1 59 PHE HA 1 67 ARG H 3.500 . 4.500 4.318 3.296 4.508 0.008 9 0 "[ . 1 . 2]" 1
934 1 60 ASP HA 1 60 ASP QB 2.000 . 2.800 2.482 2.184 2.542 . 0 0 "[ . 1 . 2]" 1
935 1 60 ASP H 1 60 ASP HB3 3.500 . 4.500 3.363 2.734 3.711 . 0 0 "[ . 1 . 2]" 1
936 1 60 ASP H 1 60 ASP HB2 3.500 . 4.500 2.699 2.139 3.677 . 0 0 "[ . 1 . 2]" 1
937 1 60 ASP HA 1 61 GLU H 2.000 . 2.800 2.518 2.274 2.817 0.017 9 0 "[ . 1 . 2]" 1
938 1 60 ASP HB3 1 61 GLU H 3.500 . 4.500 2.726 2.004 4.212 . 0 0 "[ . 1 . 2]" 1
939 1 60 ASP HB2 1 61 GLU H 3.500 . 4.500 3.694 1.998 4.435 0.002 2 0 "[ . 1 . 2]" 1
940 1 60 ASP H 1 67 ARG QB 5.000 2.500 6.000 4.803 2.700 6.003 0.003 19 0 "[ . 1 . 2]" 1
941 1 60 ASP H 1 67 ARG QG 5.000 2.500 6.000 4.238 2.668 5.665 . 0 0 "[ . 1 . 2]" 1
942 1 61 GLU HA 1 61 GLU QB 2.500 . 3.500 2.437 2.175 2.540 . 0 0 "[ . 1 . 2]" 1
943 1 61 GLU HA 1 61 GLU QG 2.500 . 3.500 2.358 2.044 3.319 . 0 0 "[ . 1 . 2]" 1
944 1 61 GLU H 1 61 GLU HA 2.500 . 3.500 2.847 2.796 2.910 . 0 0 "[ . 1 . 2]" 1
945 1 61 GLU H 1 61 GLU QB 2.500 . 3.500 2.244 2.082 2.650 . 0 0 "[ . 1 . 2]" 1
946 1 61 GLU H 1 61 GLU QG 3.500 . 4.500 3.445 2.052 4.019 . 0 0 "[ . 1 . 2]" 1
947 1 61 GLU HA 1 62 GLY H 3.500 . 4.500 2.409 2.143 3.539 . 0 0 "[ . 1 . 2]" 1
948 1 61 GLU HB3 1 62 GLY H 3.500 . 4.500 3.569 2.092 4.451 . 0 0 "[ . 1 . 2]" 1
949 1 61 GLU HB2 1 62 GLY H 3.500 . 4.500 4.183 3.281 4.518 0.018 15 0 "[ . 1 . 2]" 1
950 1 61 GLU QG 1 62 GLY H 3.500 . 4.500 3.672 2.389 4.483 . 0 0 "[ . 1 . 2]" 1
951 1 62 GLY H 1 62 GLY QA 2.500 . 3.500 2.381 2.204 2.502 . 0 0 "[ . 1 . 2]" 1
952 1 62 GLY HA3 1 63 LYS H 3.500 . 4.500 2.599 2.136 3.566 . 0 0 "[ . 1 . 2]" 1
953 1 62 GLY HA2 1 63 LYS H 3.500 . 4.500 3.226 2.162 3.570 . 0 0 "[ . 1 . 2]" 1
954 1 62 GLY H 1 63 LYS H 3.500 . 4.500 3.434 2.002 4.341 . 0 0 "[ . 1 . 2]" 1
955 1 63 LYS HA 1 63 LYS QG 2.500 . 3.500 2.379 2.133 2.684 . 0 0 "[ . 1 . 2]" 1
956 1 63 LYS HB3 1 63 LYS QG 3.500 . 4.500 2.332 2.132 2.517 . 0 0 "[ . 1 . 2]" 1
957 1 63 LYS H 1 63 LYS HB3 3.500 . 4.500 3.686 3.463 4.094 . 0 0 "[ . 1 . 2]" 1
958 1 63 LYS H 1 63 LYS HB2 3.500 . 4.500 2.600 2.177 3.640 . 0 0 "[ . 1 . 2]" 1
959 1 63 LYS H 1 63 LYS QG 5.000 2.500 6.000 3.121 2.496 3.660 0.004 7 0 "[ . 1 . 2]" 1
960 1 63 LYS HA 1 64 ARG H 3.500 . 4.500 2.555 2.151 3.491 . 0 0 "[ . 1 . 2]" 1
961 1 63 LYS HB2 1 64 ARG H 5.000 2.500 6.000 3.591 2.869 4.175 . 0 0 "[ . 1 . 2]" 1
962 1 63 LYS HA 1 65 SER H 5.000 2.500 6.000 4.493 3.804 5.455 . 0 0 "[ . 1 . 2]" 1
963 1 63 LYS HB2 1 65 SER H 3.500 . 4.500 3.557 2.871 4.150 . 0 0 "[ . 1 . 2]" 1
964 1 63 LYS QG 1 65 SER H 5.000 2.500 6.000 4.914 4.341 5.602 . 0 0 "[ . 1 . 2]" 1
965 1 64 ARG H 1 64 ARG QB 3.500 . 4.500 2.500 2.239 3.273 . 0 0 "[ . 1 . 2]" 1
966 1 64 ARG HA 1 65 SER H 3.500 . 4.500 2.745 2.406 3.096 . 0 0 "[ . 1 . 2]" 1
967 1 64 ARG HB3 1 65 SER H 3.500 . 4.500 4.319 4.192 4.508 0.008 3 0 "[ . 1 . 2]" 1
968 1 64 ARG HB2 1 65 SER H 3.500 . 4.500 4.364 4.107 4.503 0.003 15 0 "[ . 1 . 2]" 1
969 1 64 ARG H 1 65 SER H 3.500 . 4.500 3.012 2.405 3.654 . 0 0 "[ . 1 . 2]" 1
970 1 65 SER H 1 65 SER HA 5.000 2.500 6.000 2.914 2.871 2.946 . 0 0 "[ . 1 . 2]" 1
971 1 65 SER H 1 65 SER HB3 5.000 2.500 6.000 3.867 3.650 4.025 . 0 0 "[ . 1 . 2]" 1
972 1 65 SER H 1 65 SER HB2 3.500 . 4.500 2.858 2.451 3.223 . 0 0 "[ . 1 . 2]" 1
973 1 65 SER HA 1 66 CYS H 2.500 . 3.500 2.410 2.210 2.746 . 0 0 "[ . 1 . 2]" 1
974 1 65 SER HB3 1 66 CYS H 3.500 . 4.500 2.514 2.008 3.008 . 0 0 "[ . 1 . 2]" 1
975 1 65 SER HB2 1 66 CYS H 5.000 2.500 6.000 3.570 2.760 4.030 . 0 0 "[ . 1 . 2]" 1
976 1 65 SER H 1 66 CYS H 3.500 . 4.500 4.400 4.309 4.505 0.005 17 0 "[ . 1 . 2]" 1
977 1 65 SER HB3 1 70 LEU QD 5.000 2.500 6.000 4.652 3.551 5.655 . 0 0 "[ . 1 . 2]" 1
978 1 65 SER HB2 1 70 LEU MD1 5.000 2.500 6.000 4.413 2.575 5.945 . 0 0 "[ . 1 . 2]" 1
979 1 65 SER HB2 1 70 LEU MD2 5.000 2.500 6.000 4.964 3.054 5.946 . 0 0 "[ . 1 . 2]" 1
980 1 65 SER H 1 70 LEU QD 5.000 2.500 6.000 5.045 3.655 5.692 . 0 0 "[ . 1 . 2]" 1
981 1 66 CYS HA 1 66 CYS HB3 2.500 . 3.500 2.438 2.355 2.903 . 0 0 "[ . 1 . 2]" 1
982 1 66 CYS HA 1 66 CYS HB2 2.500 . 3.500 2.552 2.441 2.794 . 0 0 "[ . 1 . 2]" 1
983 1 66 CYS H 1 66 CYS HB3 3.500 . 4.500 2.733 2.515 3.241 . 0 0 "[ . 1 . 2]" 1
984 1 66 CYS H 1 66 CYS HB2 3.500 . 4.500 3.430 2.058 3.599 . 0 0 "[ . 1 . 2]" 1
985 1 66 CYS HA 1 67 ARG H 3.500 . 4.500 2.260 2.134 2.409 . 0 0 "[ . 1 . 2]" 1
986 1 66 CYS QB 1 67 ARG H 2.500 . 3.500 2.843 2.376 3.357 . 0 0 "[ . 1 . 2]" 1
987 1 67 ARG HA 1 67 ARG QD 5.000 2.500 6.000 3.909 2.618 4.467 . 0 0 "[ . 1 . 2]" 1
988 1 67 ARG HA 1 67 ARG QG 2.500 . 3.500 2.700 2.018 3.348 . 0 0 "[ . 1 . 2]" 1
989 1 67 ARG H 1 67 ARG HB3 3.500 . 4.500 3.263 2.745 4.077 . 0 0 "[ . 1 . 2]" 1
990 1 67 ARG H 1 67 ARG HB2 3.500 . 4.500 2.907 2.064 3.787 . 0 0 "[ . 1 . 2]" 1
991 1 67 ARG HE 1 67 ARG QG 3.500 . 4.500 2.421 2.087 3.330 . 0 0 "[ . 1 . 2]" 1
992 1 67 ARG H 1 67 ARG QG 2.500 . 3.500 2.637 1.955 3.503 0.003 9 0 "[ . 1 . 2]" 1
993 1 67 ARG HA 1 68 ARG H 3.500 . 4.500 2.398 2.139 3.529 . 0 0 "[ . 1 . 2]" 1
994 1 67 ARG H 1 68 ARG H 3.500 . 4.500 3.926 2.778 4.503 0.003 13 0 "[ . 1 . 2]" 1
995 1 68 ARG H 1 68 ARG HA 2.500 . 3.500 2.918 2.796 2.949 . 0 0 "[ . 1 . 2]" 1
996 1 68 ARG H 1 68 ARG QB 2.500 . 3.500 2.599 2.119 3.202 . 0 0 "[ . 1 . 2]" 1
997 1 68 ARG HA 1 69 LYS H 2.500 . 3.500 2.695 2.143 3.540 0.040 16 0 "[ . 1 . 2]" 1
998 1 68 ARG QB 1 69 LYS H 5.000 2.500 6.000 3.311 2.741 3.983 . 0 0 "[ . 1 . 2]" 1
999 1 68 ARG H 1 69 LYS H 3.500 . 4.500 3.348 1.991 4.504 0.009 16 0 "[ . 1 . 2]" 1
1000 1 69 LYS H 1 69 LYS QB 3.500 . 4.500 2.768 2.053 3.302 . 0 0 "[ . 1 . 2]" 1
1001 1 69 LYS HA 1 70 LEU H 2.500 . 3.500 2.523 2.140 2.909 . 0 0 "[ . 1 . 2]" 1
1002 1 69 LYS QB 1 70 LEU H 3.500 . 4.500 3.828 3.408 4.035 . 0 0 "[ . 1 . 2]" 1
1003 1 69 LYS H 1 70 LEU H 3.500 . 4.500 3.219 2.243 4.359 . 0 0 "[ . 1 . 2]" 1
1004 1 70 LEU HA 1 70 LEU HB3 2.500 . 3.500 2.797 2.351 3.012 . 0 0 "[ . 1 . 2]" 1
1005 1 70 LEU HA 1 70 LEU HB2 2.500 . 3.500 2.854 2.535 3.002 . 0 0 "[ . 1 . 2]" 1
1006 1 70 LEU HA 1 70 LEU QD 2.000 . 2.800 2.307 1.895 2.723 . 0 0 "[ . 1 . 2]" 1
1007 1 70 LEU QB 1 70 LEU QD 2.500 . 3.500 1.896 1.794 2.040 . 0 0 "[ . 1 . 2]" 1
1008 1 70 LEU H 1 70 LEU HB3 2.500 . 3.500 3.283 2.943 3.553 0.053 10 0 "[ . 1 . 2]" 1
1009 1 70 LEU H 1 70 LEU HB2 2.500 . 3.500 2.339 2.088 3.165 . 0 0 "[ . 1 . 2]" 1
1010 1 70 LEU H 1 70 LEU MD1 5.000 2.500 6.000 3.783 2.895 4.431 . 0 0 "[ . 1 . 2]" 1
1011 1 70 LEU H 1 70 LEU MD2 5.000 2.500 6.000 4.066 2.632 4.755 . 0 0 "[ . 1 . 2]" 1
1012 1 70 LEU HA 1 71 GLU H 2.500 . 3.500 3.084 2.139 3.536 0.036 20 0 "[ . 1 . 2]" 1
1013 1 70 LEU QB 1 71 GLU H 2.500 . 3.500 2.816 1.937 3.502 0.002 4 0 "[ . 1 . 2]" 1
1014 1 70 LEU MD1 1 71 GLU H 5.000 2.500 6.000 4.391 2.619 5.043 . 0 0 "[ . 1 . 2]" 1
1015 1 70 LEU MD2 1 71 GLU H 5.000 2.500 6.000 4.079 2.514 4.928 . 0 0 "[ . 1 . 2]" 1
1016 1 70 LEU H 1 71 GLU H 3.500 . 4.500 3.091 2.006 4.502 0.002 13 0 "[ . 1 . 2]" 1
1017 1 71 GLU HA 1 71 GLU QB 2.500 . 3.500 2.452 2.172 2.541 . 0 0 "[ . 1 . 2]" 1
1018 1 71 GLU HA 1 71 GLU HG3 3.500 . 4.500 2.832 2.130 4.241 . 0 0 "[ . 1 . 2]" 1
1019 1 71 GLU HA 1 71 GLU HG2 3.500 . 4.500 2.979 2.067 3.888 . 0 0 "[ . 1 . 2]" 1
1020 1 71 GLU H 1 71 GLU HA 2.500 . 3.500 2.732 2.272 2.948 . 0 0 "[ . 1 . 2]" 1
1021 1 71 GLU H 1 71 GLU HB3 3.500 . 4.500 3.426 2.914 4.100 . 0 0 "[ . 1 . 2]" 1
1022 1 71 GLU H 1 71 GLU HB2 3.500 . 4.500 2.973 2.071 4.003 . 0 0 "[ . 1 . 2]" 1
1023 1 71 GLU H 1 71 GLU HG3 5.000 2.500 6.000 4.112 2.556 4.740 . 0 0 "[ . 1 . 2]" 1
1024 1 71 GLU H 1 71 GLU HG2 5.000 2.500 6.000 4.301 2.925 5.171 . 0 0 "[ . 1 . 2]" 1
1025 1 71 GLU QB 1 72 ARG H 5.000 2.500 6.000 3.537 2.759 4.002 . 0 0 "[ . 1 . 2]" 1
1026 1 71 GLU H 1 72 ARG H 5.000 2.500 6.000 3.706 2.498 4.621 0.002 20 0 "[ . 1 . 2]" 1
1027 1 73 HIS QB 1 73 HIS HD2 5.000 2.500 6.000 2.815 2.624 3.222 . 0 0 "[ . 1 . 2]" 1
1028 1 80 LYS HA 1 80 LYS QG 2.500 . 3.500 2.356 2.039 3.342 . 0 0 "[ . 1 . 2]" 1
1029 1 80 LYS H 1 80 LYS HA 5.000 2.500 6.000 2.898 2.821 2.947 . 0 0 "[ . 1 . 2]" 1
1030 1 80 LYS H 1 80 LYS QB 5.000 2.500 6.000 2.759 2.516 3.290 . 0 0 "[ . 1 . 2]" 1
1031 1 80 LYS H 1 80 LYS HB3 3.500 . 4.500 3.469 2.706 3.846 . 0 0 "[ . 1 . 2]" 1
1032 1 80 LYS H 1 80 LYS HB2 3.500 . 4.500 2.980 2.573 3.994 . 0 0 "[ . 1 . 2]" 1
1033 1 80 LYS H 1 80 LYS QE 5.000 2.500 6.000 5.434 4.241 5.978 . 0 0 "[ . 1 . 2]" 1
1034 1 80 LYS H 1 80 LYS QG 5.000 2.500 6.000 3.786 2.497 4.311 0.003 11 0 "[ . 1 . 2]" 1
1035 1 80 LYS HA 1 81 PRO QD 3.500 . 4.500 2.187 1.972 3.526 0.028 12 0 "[ . 1 . 2]" 1
1036 1 80 LYS QB 1 81 PRO QD 3.500 . 4.500 3.127 1.960 3.855 0.040 14 0 "[ . 1 . 2]" 1
1037 1 81 PRO QB 1 81 PRO QD 3.500 . 4.500 2.769 2.737 2.792 . 0 0 "[ . 1 . 2]" 1
1038 1 81 PRO QB 1 81 PRO HD3 5.000 2.500 6.000 3.053 2.851 3.529 . 0 0 "[ . 1 . 2]" 1
1039 1 81 PRO QB 1 81 PRO HD2 5.000 2.500 6.000 3.363 2.866 3.529 . 0 0 "[ . 1 . 2]" 1
1040 1 81 PRO QD 1 81 PRO HG3 3.500 . 4.500 2.196 2.182 2.241 . 0 0 "[ . 1 . 2]" 1
1041 1 81 PRO QD 1 81 PRO HG2 3.500 . 4.500 2.219 2.182 2.244 . 0 0 "[ . 1 . 2]" 1
1042 1 81 PRO HA 1 82 VAL H 2.500 . 3.500 2.705 2.148 3.509 0.009 9 0 "[ . 1 . 2]" 1
1043 1 82 VAL HA 1 82 VAL MG1 5.000 2.500 6.000 2.635 2.361 3.206 0.139 12 0 "[ . 1 . 2]" 1
1044 1 82 VAL HA 1 82 VAL MG2 5.000 2.500 6.000 2.799 2.453 3.209 0.047 18 0 "[ . 1 . 2]" 1
1045 1 82 VAL H 1 82 VAL HA 5.000 2.500 6.000 2.915 2.798 2.948 . 0 0 "[ . 1 . 2]" 1
1046 1 82 VAL H 1 82 VAL HB 3.500 . 4.500 3.234 2.549 3.887 . 0 0 "[ . 1 . 2]" 1
1047 1 82 VAL H 1 82 VAL QG 3.500 . 4.500 2.229 1.996 2.716 0.004 15 0 "[ . 1 . 2]" 1
1048 1 82 VAL HA 1 83 ASP H 3.500 . 4.500 2.498 2.138 3.602 . 0 0 "[ . 1 . 2]" 1
1049 1 82 VAL H 1 83 ASP H 5.000 2.500 6.000 3.874 2.447 4.618 0.053 12 0 "[ . 1 . 2]" 1
1050 1 83 ASP HA 1 83 ASP QB 3.500 . 4.500 2.451 2.181 2.541 . 0 0 "[ . 1 . 2]" 1
1051 1 83 ASP H 1 83 ASP QB 3.500 . 4.500 2.628 2.164 3.186 . 0 0 "[ . 1 . 2]" 1
1052 1 84 LYS HA 1 84 LYS QB 2.500 . 3.500 2.331 2.173 2.526 . 0 0 "[ . 1 . 2]" 1
1053 1 84 LYS HA 1 84 LYS HG3 5.000 2.500 6.000 3.353 2.634 3.879 . 0 0 "[ . 1 . 2]" 1
1054 1 84 LYS HA 1 84 LYS HG2 5.000 2.500 6.000 3.085 2.520 4.103 . 0 0 "[ . 1 . 2]" 1
1055 1 84 LYS H 1 84 LYS QB 3.500 . 4.500 2.903 2.311 3.435 . 0 0 "[ . 1 . 2]" 1
1056 1 84 LYS H 1 84 LYS QG 3.500 . 4.500 2.921 1.998 4.280 0.002 5 0 "[ . 1 . 2]" 1
1057 1 85 GLY H 1 85 GLY QA 3.500 . 4.500 2.376 2.195 2.502 . 0 0 "[ . 1 . 2]" 1
1058 1 86 GLY H 1 86 GLY QA 3.500 . 4.500 2.380 2.207 2.502 . 0 0 "[ . 1 . 2]" 1
1059 1 86 GLY HA3 1 87 VAL H 5.000 2.500 6.000 3.060 2.490 3.567 0.010 9 0 "[ . 1 . 2]" 1
1060 1 86 GLY HA2 1 87 VAL H 5.000 2.500 6.000 3.057 2.528 3.566 . 0 0 "[ . 1 . 2]" 1
1061 1 87 VAL HA 1 87 VAL HB 5.000 2.500 6.000 2.711 2.474 3.022 0.026 13 0 "[ . 1 . 2]" 1
1062 1 87 VAL HA 1 88 ALA H 5.000 2.500 6.000 3.278 2.446 3.569 0.054 7 0 "[ . 1 . 2]" 1
1063 1 88 ALA HA 1 88 ALA MB 3.500 . 4.500 2.114 2.092 2.128 . 0 0 "[ . 1 . 2]" 1
1064 1 88 ALA H 1 88 ALA MB 2.500 . 3.500 2.453 2.164 2.776 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 147
_Distance_constraint_stats_list.Viol_total 34.620
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0059
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0118
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 CYS 0.634 0.038 18 0 "[ . 1 . 2]"
1 7 GLN 0.239 0.024 10 0 "[ . 1 . 2]"
1 8 VAL 0.301 0.027 10 0 "[ . 1 . 2]"
1 10 ASP 0.023 0.006 10 0 "[ . 1 . 2]"
1 11 CYS 0.301 0.027 10 0 "[ . 1 . 2]"
1 13 ALA 0.634 0.038 18 0 "[ . 1 . 2]"
1 22 HIS 0.003 0.003 4 0 "[ . 1 . 2]"
1 26 ARG 0.239 0.024 10 0 "[ . 1 . 2]"
1 27 VAL 0.003 0.003 4 0 "[ . 1 . 2]"
1 28 CYS 0.004 0.004 16 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.003 0.003 9 0 "[ . 1 . 2]"
1 31 CYS 0.004 0.004 16 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.003 0.003 9 0 "[ . 1 . 2]"
1 37 VAL 0.003 0.002 2 0 "[ . 1 . 2]"
1 38 VAL 0.023 0.006 10 0 "[ . 1 . 2]"
1 39 LEU 0.007 0.002 1 0 "[ . 1 . 2]"
1 42 GLU 0.007 0.002 1 0 "[ . 1 . 2]"
1 43 ASN 0.007 0.003 15 0 "[ . 1 . 2]"
1 44 LYS 0.003 0.002 2 0 "[ . 1 . 2]"
1 45 ARG 0.004 0.004 13 0 "[ . 1 . 2]"
1 47 CYS 0.339 0.027 13 0 "[ . 1 . 2]"
1 50 CYS 0.479 0.027 13 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 LYS 0.189 0.016 2 0 "[ . 1 . 2]"
1 54 HIS 0.004 0.004 13 0 "[ . 1 . 2]"
1 56 LEU 0.007 0.003 15 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 6 CYS N 1 13 ALA O 3.300 2.500 3.500 2.960 2.881 3.077 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS H 1 13 ALA O 2.300 . 2.500 2.504 2.500 2.509 0.009 10 0 "[ . 1 . 2]" 2
3 1 7 GLN N 1 26 ARG O 3.300 2.500 3.500 3.383 3.358 3.416 . 0 0 "[ . 1 . 2]" 2
4 1 7 GLN H 1 26 ARG O 2.300 . 2.500 2.512 2.500 2.524 0.024 10 0 "[ . 1 . 2]" 2
5 1 8 VAL N 1 11 CYS O 3.300 2.500 3.500 3.175 3.126 3.224 . 0 0 "[ . 1 . 2]" 2
6 1 8 VAL H 1 11 CYS O 2.300 . 2.500 2.513 2.466 2.527 0.027 10 0 "[ . 1 . 2]" 2
7 1 8 VAL O 1 11 CYS N 3.300 2.500 3.500 2.790 2.585 2.944 . 0 0 "[ . 1 . 2]" 2
8 1 8 VAL O 1 11 CYS H 2.300 . 2.500 2.169 1.889 2.341 . 0 0 "[ . 1 . 2]" 2
9 1 6 CYS O 1 13 ALA N 3.300 2.500 3.500 3.157 3.098 3.262 . 0 0 "[ . 1 . 2]" 2
10 1 6 CYS O 1 13 ALA H 2.300 . 2.500 2.528 2.519 2.538 0.038 18 0 "[ . 1 . 2]" 2
11 1 22 HIS O 1 27 VAL N 3.300 2.500 3.500 3.246 2.991 3.342 . 0 0 "[ . 1 . 2]" 2
12 1 22 HIS O 1 27 VAL H 2.300 . 2.500 2.384 2.154 2.503 0.003 4 0 "[ . 1 . 2]" 2
13 1 28 CYS O 1 31 CYS N 3.300 2.500 3.500 3.143 3.002 3.271 . 0 0 "[ . 1 . 2]" 2
14 1 28 CYS O 1 31 CYS H 2.300 . 2.500 2.401 2.259 2.504 0.004 16 0 "[ . 1 . 2]" 2
15 1 28 CYS O 1 32 ALA N 3.300 2.500 3.500 3.165 3.046 3.279 . 0 0 "[ . 1 . 2]" 2
16 1 28 CYS O 1 32 ALA H 2.300 . 2.500 2.317 2.120 2.482 . 0 0 "[ . 1 . 2]" 2
17 1 29 LEU O 1 33 THR N 3.300 2.500 3.500 3.053 2.841 3.221 . 0 0 "[ . 1 . 2]" 2
18 1 29 LEU O 1 33 THR H 2.300 . 2.500 2.187 1.989 2.460 . 0 0 "[ . 1 . 2]" 2
19 1 30 ARG O 1 34 ALA N 3.300 2.500 3.500 2.928 2.772 3.142 . 0 0 "[ . 1 . 2]" 2
20 1 30 ARG O 1 34 ALA H 2.300 . 2.500 2.160 1.916 2.503 0.003 9 0 "[ . 1 . 2]" 2
21 1 37 VAL N 1 44 LYS O 3.300 2.500 3.500 3.191 3.033 3.341 . 0 0 "[ . 1 . 2]" 2
22 1 37 VAL H 1 44 LYS O 2.300 . 2.500 2.276 2.064 2.406 . 0 0 "[ . 1 . 2]" 2
23 1 10 ASP OD2 1 38 VAL N 3.300 2.500 3.500 2.987 2.686 3.161 . 0 0 "[ . 1 . 2]" 2
24 1 10 ASP OD2 1 38 VAL H 2.300 . 2.500 2.471 2.317 2.506 0.006 10 0 "[ . 1 . 2]" 2
25 1 39 LEU N 1 42 GLU O 3.300 2.500 3.500 2.889 2.589 3.007 . 0 0 "[ . 1 . 2]" 2
26 1 39 LEU H 1 42 GLU O 2.300 . 2.500 2.440 2.287 2.502 0.002 1 0 "[ . 1 . 2]" 2
27 1 39 LEU O 1 42 GLU N 3.300 2.500 3.500 3.240 3.098 3.324 . 0 0 "[ . 1 . 2]" 2
28 1 39 LEU O 1 42 GLU H 2.300 . 2.500 2.277 2.126 2.359 . 0 0 "[ . 1 . 2]" 2
29 1 37 VAL O 1 44 LYS N 3.300 2.500 3.500 3.184 2.961 3.352 . 0 0 "[ . 1 . 2]" 2
30 1 37 VAL O 1 44 LYS H 2.300 . 2.500 2.364 2.120 2.502 0.002 2 0 "[ . 1 . 2]" 2
31 1 45 ARG N 1 54 HIS O 3.300 2.500 3.500 2.922 2.597 3.325 . 0 0 "[ . 1 . 2]" 2
32 1 45 ARG H 1 54 HIS O 2.300 . 2.500 2.042 1.668 2.487 . 0 0 "[ . 1 . 2]" 2
33 1 47 CYS N 1 52 LYS O 3.300 2.500 3.500 3.304 3.043 3.475 . 0 0 "[ . 1 . 2]" 2
34 1 47 CYS H 1 52 LYS O 2.300 . 2.500 2.391 2.113 2.510 0.010 2 0 "[ . 1 . 2]" 2
35 1 47 CYS O 1 50 CYS N 3.300 2.500 3.500 3.305 3.265 3.331 . 0 0 "[ . 1 . 2]" 2
36 1 47 CYS O 1 50 CYS H 2.300 . 2.500 2.516 2.500 2.527 0.027 13 0 "[ . 1 . 2]" 2
37 1 47 CYS O 1 51 GLY N 3.300 2.500 3.500 2.641 2.504 3.100 . 0 0 "[ . 1 . 2]" 2
38 1 47 CYS O 1 51 GLY H 2.300 . 2.500 1.771 1.646 2.161 . 0 0 "[ . 1 . 2]" 2
39 1 50 CYS O 1 52 LYS N 3.300 2.500 3.500 3.271 3.260 3.292 . 0 0 "[ . 1 . 2]" 2
40 1 50 CYS O 1 52 LYS H 2.300 . 2.500 2.508 2.503 2.516 0.016 2 0 "[ . 1 . 2]" 2
41 1 45 ARG O 1 54 HIS N 3.300 2.500 3.500 3.230 2.890 3.428 . 0 0 "[ . 1 . 2]" 2
42 1 45 ARG O 1 54 HIS H 2.300 . 2.500 2.324 1.947 2.504 0.004 13 0 "[ . 1 . 2]" 2
43 1 43 ASN O 1 56 LEU N 3.300 2.500 3.500 3.188 2.991 3.388 . 0 0 "[ . 1 . 2]" 2
44 1 43 ASN O 1 56 LEU H 2.300 . 2.500 2.369 2.139 2.503 0.003 15 0 "[ . 1 . 2]" 2
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