NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
374810 |
1emn   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1emn
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 953
_Distance_constraint_stats_list.Viol_count 122
_Distance_constraint_stats_list.Viol_total 5.108
_Distance_constraint_stats_list.Viol_max 0.237
_Distance_constraint_stats_list.Viol_rms 0.0191
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0054
_Distance_constraint_stats_list.Viol_average_violations_only 0.0419
_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 2 ALA 0.000 0.000 . 0 "[ ]"
1 3 VAL 0.000 0.000 . 0 "[ ]"
1 4 ASP 0.000 0.000 . 0 "[ ]"
1 5 MET 0.074 0.074 1 0 "[ ]"
1 6 ASP 0.000 0.000 . 0 "[ ]"
1 7 GLU 0.074 0.060 1 0 "[ ]"
1 8 CYS 0.107 0.060 1 0 "[ ]"
1 9 LYS 0.097 0.078 1 0 "[ ]"
1 10 GLU 0.102 0.074 1 0 "[ ]"
1 11 PRO 0.064 0.064 1 0 "[ ]"
1 12 ASP 0.025 0.022 1 0 "[ ]"
1 13 VAL 0.092 0.064 1 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 LYS 0.053 0.028 1 0 "[ ]"
1 16 HIS 0.017 0.017 1 0 "[ ]"
1 17 GLY 0.013 0.013 1 0 "[ ]"
1 18 GLN 0.046 0.046 1 0 "[ ]"
1 19 CYS 0.118 0.118 1 0 "[ ]"
1 20 ILE 0.093 0.046 1 0 "[ ]"
1 21 ASN 0.074 0.038 1 0 "[ ]"
1 22 THR 0.009 0.009 1 0 "[ ]"
1 23 ASP 0.097 0.052 1 0 "[ ]"
1 24 GLY 0.000 0.000 . 0 "[ ]"
1 25 SER 0.069 0.032 1 0 "[ ]"
1 26 TYR 0.130 0.042 1 0 "[ ]"
1 27 ARG 0.073 0.042 1 0 "[ ]"
1 28 CYS 0.073 0.043 1 0 "[ ]"
1 29 GLU 0.004 0.004 1 0 "[ ]"
1 30 CYS 0.036 0.022 1 0 "[ ]"
1 31 PRO 0.173 0.085 1 0 "[ ]"
1 32 PHE 0.116 0.067 1 0 "[ ]"
1 33 GLY 0.118 0.043 1 0 "[ ]"
1 34 TYR 0.384 0.107 1 0 "[ ]"
1 35 ILE 0.219 0.107 1 0 "[ ]"
1 36 LEU 0.059 0.022 1 0 "[ ]"
1 37 ALA 0.032 0.027 1 0 "[ ]"
1 38 GLY 0.000 0.000 . 0 "[ ]"
1 39 ASN 0.097 0.069 1 0 "[ ]"
1 40 GLU 0.012 0.012 1 0 "[ ]"
1 41 CYS 0.033 0.027 1 0 "[ ]"
1 42 VAL 0.018 0.017 1 0 "[ ]"
1 43 ASP 0.012 0.012 1 0 "[ ]"
1 44 THR 0.066 0.057 1 0 "[ ]"
1 45 ASP 0.022 0.022 1 0 "[ ]"
1 46 GLU 0.166 0.069 1 0 "[ ]"
1 47 CYS 0.226 0.086 1 0 "[ ]"
1 48 SER 0.145 0.067 1 0 "[ ]"
1 49 VAL 0.063 0.058 1 0 "[ ]"
1 50 GLY 0.063 0.058 1 0 "[ ]"
1 51 ASN 0.019 0.014 1 0 "[ ]"
1 52 PRO 0.044 0.041 1 0 "[ ]"
1 53 CYS 0.035 0.032 1 0 "[ ]"
1 54 GLY 0.127 0.096 1 0 "[ ]"
1 55 ASN 0.125 0.063 1 0 "[ ]"
1 56 GLY 0.172 0.051 1 0 "[ ]"
1 57 THR 0.020 0.011 1 0 "[ ]"
1 58 CYS 0.118 0.040 1 0 "[ ]"
1 59 LYS 0.070 0.063 1 0 "[ ]"
1 60 ASN 0.246 0.091 1 0 "[ ]"
1 61 VAL 0.228 0.091 1 0 "[ ]"
1 62 ILE 0.000 0.000 . 0 "[ ]"
1 63 GLY 0.134 0.070 1 0 "[ ]"
1 64 GLY 0.070 0.036 1 0 "[ ]"
1 65 PHE 0.169 0.091 1 0 "[ ]"
1 66 GLU 0.328 0.077 1 0 "[ ]"
1 67 CYS 0.036 0.036 1 0 "[ ]"
1 68 THR 0.048 0.028 1 0 "[ ]"
1 69 CYS 0.302 0.120 1 0 "[ ]"
1 70 GLU 0.186 0.088 1 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 GLY 0.137 0.137 1 0 "[ ]"
1 73 PHE 0.709 0.237 1 0 "[ ]"
1 74 GLU 0.333 0.134 1 0 "[ ]"
1 75 PRO 0.283 0.122 1 0 "[ ]"
1 76 GLY 0.002 0.002 1 0 "[ ]"
1 77 PRO 0.068 0.040 1 0 "[ ]"
1 78 MET 0.040 0.040 1 0 "[ ]"
1 79 MET 0.226 0.082 1 0 "[ ]"
1 80 THR 0.192 0.063 1 0 "[ ]"
1 81 CYS 0.197 0.096 1 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
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 0.000 . 2.800 2.001 2.001 2.001 . 0 0 "[ ]" 1
2 1 2 ALA HA 1 3 VAL H 0.000 . 3.500 2.861 2.861 2.861 . 0 0 "[ ]" 1
3 1 2 ALA MB 1 3 VAL H 0.000 . 5.500 3.680 3.680 3.680 . 0 0 "[ ]" 1
4 1 3 VAL H 1 3 VAL HB 0.000 . 3.500 2.162 2.162 2.162 . 0 0 "[ ]" 1
5 1 3 VAL H 1 3 VAL QG 0.000 . 3.500 2.814 2.814 2.814 . 0 0 "[ ]" 1
6 1 3 VAL HA 1 4 ASP H 0.000 . 2.800 2.215 2.215 2.215 . 0 0 "[ ]" 1
7 1 3 VAL HB 1 4 ASP H 0.000 . 5.500 4.623 4.623 4.623 . 0 0 "[ ]" 1
8 1 3 VAL H 1 4 ASP H 0.000 . 5.500 4.408 4.408 4.408 . 0 0 "[ ]" 1
9 1 3 VAL QG 1 4 ASP H 0.000 . 5.500 3.045 3.045 3.045 . 0 0 "[ ]" 1
10 1 4 ASP H 1 4 ASP HB3 0.000 . 3.500 2.823 2.823 2.823 . 0 0 "[ ]" 1
11 1 4 ASP H 1 4 ASP HB2 0.000 . 3.500 2.361 2.361 2.361 . 0 0 "[ ]" 1
12 1 5 MET HA 1 5 MET QB 0.000 . 2.800 2.507 2.507 2.507 . 0 0 "[ ]" 1
13 1 4 ASP HB3 1 5 MET H 0.000 . 5.500 4.328 4.328 4.328 . 0 0 "[ ]" 1
14 1 4 ASP HB2 1 5 MET H 0.000 . 5.500 4.552 4.552 4.552 . 0 0 "[ ]" 1
15 1 5 MET H 1 5 MET QB 0.000 . 3.500 2.294 2.294 2.294 . 0 0 "[ ]" 1
16 1 5 MET HA 1 6 ASP H 0.000 . 5.500 2.183 2.183 2.183 . 0 0 "[ ]" 1
17 1 5 MET QB 1 6 ASP H 0.000 . 5.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
18 1 7 GLU HA 1 10 GLU H 0.000 . 5.500 4.072 4.072 4.072 . 0 0 "[ ]" 1
19 1 7 GLU HA 1 7 GLU HG3 0.000 . 3.500 2.686 2.686 2.686 . 0 0 "[ ]" 1
20 1 7 GLU HA 1 7 GLU HG2 0.000 . 3.500 3.079 3.079 3.079 . 0 0 "[ ]" 1
21 1 7 GLU HA 1 9 LYS H 0.000 . 5.500 4.583 4.583 4.583 . 0 0 "[ ]" 1
22 1 7 GLU H 1 7 GLU QB 0.000 . 3.500 3.487 3.487 3.487 . 0 0 "[ ]" 1
23 1 7 GLU H 1 7 GLU HG3 0.000 . 5.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
24 1 7 GLU H 1 7 GLU HG2 0.000 . 5.500 4.102 4.102 4.102 . 0 0 "[ ]" 1
25 1 7 GLU HA 1 8 CYS H 0.000 . 3.500 3.560 3.560 3.560 0.060 1 0 "[ ]" 1
26 1 7 GLU H 1 8 CYS H 0.000 . 5.500 3.283 3.283 3.283 . 0 0 "[ ]" 1
27 1 7 GLU QB 1 8 CYS H 0.000 . 5.500 2.552 2.552 2.552 . 0 0 "[ ]" 1
28 1 7 GLU HG3 1 8 CYS H 0.000 . 5.500 4.146 4.146 4.146 . 0 0 "[ ]" 1
29 1 7 GLU HG2 1 8 CYS H 0.000 . 5.500 5.075 5.075 5.075 . 0 0 "[ ]" 1
30 1 8 CYS H 1 8 CYS QB 0.000 . 2.800 2.387 2.387 2.387 . 0 0 "[ ]" 1
31 1 9 LYS HA 1 9 LYS HB3 0.000 . 2.800 2.817 2.817 2.817 0.017 1 0 "[ ]" 1
32 1 9 LYS HA 1 9 LYS HB2 0.000 . 2.800 2.878 2.878 2.878 0.078 1 0 "[ ]" 1
33 1 9 LYS HA 1 9 LYS QD 0.000 . 3.500 2.002 2.002 2.002 . 0 0 "[ ]" 1
34 1 9 LYS HA 1 9 LYS HG3 0.000 . 3.500 3.502 3.502 3.502 0.002 1 0 "[ ]" 1
35 1 8 CYS HA 1 9 LYS H 0.000 . 5.500 3.509 3.509 3.509 . 0 0 "[ ]" 1
36 1 8 CYS H 1 9 LYS H 0.000 . 5.500 2.278 2.278 2.278 . 0 0 "[ ]" 1
37 1 8 CYS QB 1 9 LYS H 0.000 . 5.500 3.500 3.500 3.500 . 0 0 "[ ]" 1
38 1 9 LYS H 1 9 LYS HB3 0.000 . 3.500 3.321 3.321 3.321 . 0 0 "[ ]" 1
39 1 8 CYS H 1 9 LYS HB2 0.000 . 5.500 4.128 4.128 4.128 . 0 0 "[ ]" 1
40 1 9 LYS HA 1 10 GLU H 0.000 . 5.500 3.313 3.313 3.313 . 0 0 "[ ]" 1
41 1 9 LYS H 1 10 GLU H 0.000 . 5.500 2.565 2.565 2.565 . 0 0 "[ ]" 1
42 1 9 LYS HB3 1 10 GLU H 0.000 . 5.500 3.790 3.790 3.790 . 0 0 "[ ]" 1
43 1 5 MET HA 1 10 GLU QG 0.000 . 5.500 5.574 5.574 5.574 0.074 1 0 "[ ]" 1
44 1 11 PRO HA 1 11 PRO QG 0.000 . 3.500 3.467 3.467 3.467 . 0 0 "[ ]" 1
45 1 9 LYS QE 1 11 PRO HD3 0.000 . 5.500 4.539 4.539 4.539 . 0 0 "[ ]" 1
46 1 10 GLU HA 1 11 PRO HD3 0.000 . 2.800 1.909 1.909 1.909 . 0 0 "[ ]" 1
47 1 10 GLU HA 1 11 PRO HD2 0.000 . 2.800 2.342 2.342 2.342 . 0 0 "[ ]" 1
48 1 12 ASP HA 1 12 ASP QB 0.000 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
49 1 11 PRO HB3 1 12 ASP H 0.000 . 5.500 4.551 4.551 4.551 . 0 0 "[ ]" 1
50 1 11 PRO HB2 1 12 ASP H 0.000 . 5.500 3.748 3.748 3.748 . 0 0 "[ ]" 1
51 1 11 PRO QD 1 12 ASP H 0.000 . 5.500 2.900 2.900 2.900 . 0 0 "[ ]" 1
52 1 11 PRO QG 1 12 ASP H 0.000 . 5.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
53 1 12 ASP H 1 12 ASP QB 0.000 . 3.500 2.516 2.516 2.516 . 0 0 "[ ]" 1
54 1 13 VAL HA 1 13 VAL MG1 0.000 . 2.800 2.269 2.269 2.269 . 0 0 "[ ]" 1
55 1 13 VAL HA 1 13 VAL MG2 0.000 . 2.800 2.353 2.353 2.353 . 0 0 "[ ]" 1
56 1 10 GLU H 1 13 VAL H 0.000 . 5.500 4.361 4.361 4.361 . 0 0 "[ ]" 1
57 1 11 PRO HB2 1 13 VAL H 0.000 . 5.500 5.378 5.378 5.378 . 0 0 "[ ]" 1
58 1 11 PRO QG 1 13 VAL H 0.000 . 5.500 5.564 5.564 5.564 0.064 1 0 "[ ]" 1
59 1 12 ASP HA 1 13 VAL H 0.000 . 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 1
60 1 12 ASP H 1 13 VAL H 0.000 . 5.500 2.141 2.141 2.141 . 0 0 "[ ]" 1
61 1 12 ASP QB 1 13 VAL H 0.000 . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
62 1 13 VAL H 1 13 VAL QG 0.000 . 2.800 2.699 2.699 2.699 . 0 0 "[ ]" 1
63 1 8 CYS H 1 13 VAL QG 0.000 . 5.500 3.791 3.791 3.791 . 0 0 "[ ]" 1
64 1 9 LYS H 1 13 VAL QG 0.000 . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
65 1 7 GLU HA 1 13 VAL MG1 0.000 . 5.500 4.110 4.110 4.110 . 0 0 "[ ]" 1
66 1 7 GLU QB 1 13 VAL MG1 0.000 . 5.500 3.439 3.439 3.439 . 0 0 "[ ]" 1
67 1 8 CYS HA 1 13 VAL MG1 0.000 . 3.500 1.756 1.756 1.756 . 0 0 "[ ]" 1
68 1 10 GLU HB2 1 13 VAL MG1 0.000 . 5.500 3.931 3.931 3.931 . 0 0 "[ ]" 1
69 1 7 GLU HA 1 13 VAL MG2 0.000 . 5.500 3.153 3.153 3.153 . 0 0 "[ ]" 1
70 1 7 GLU QB 1 13 VAL MG2 0.000 . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
71 1 8 CYS HA 1 13 VAL MG2 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 1
72 1 10 GLU HB2 1 13 VAL MG2 0.000 . 5.500 1.756 1.756 1.756 . 0 0 "[ ]" 1
73 1 13 VAL H 1 14 CYS HA 0.000 . 5.500 5.314 5.314 5.314 . 0 0 "[ ]" 1
74 1 13 VAL MG1 1 14 CYS HA 0.000 . 5.500 3.335 3.335 3.335 . 0 0 "[ ]" 1
75 1 13 VAL HA 1 14 CYS H 0.000 . 3.500 3.426 3.426 3.426 . 0 0 "[ ]" 1
76 1 13 VAL HB 1 14 CYS H 0.000 . 5.500 1.850 1.850 1.850 . 0 0 "[ ]" 1
77 1 13 VAL H 1 14 CYS H 0.000 . 5.500 3.398 3.398 3.398 . 0 0 "[ ]" 1
78 1 13 VAL QG 1 14 CYS H 0.000 . 3.500 1.824 1.824 1.824 . 0 0 "[ ]" 1
79 1 15 LYS HA 1 15 LYS HG2 0.000 . 3.500 2.153 2.153 2.153 . 0 0 "[ ]" 1
80 1 14 CYS HA 1 15 LYS H 0.000 . 5.500 3.512 3.512 3.512 . 0 0 "[ ]" 1
81 1 15 LYS H 1 15 LYS HG2 0.000 . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
82 1 12 ASP HA 1 15 LYS HB2 0.000 . 5.500 5.503 5.503 5.503 0.003 1 0 "[ ]" 1
83 1 12 ASP HA 1 15 LYS QD 0.000 . 5.500 3.249 3.249 3.249 . 0 0 "[ ]" 1
84 1 12 ASP HA 1 15 LYS QE 0.000 . 5.500 4.654 4.654 4.654 . 0 0 "[ ]" 1
85 1 10 GLU HB2 1 15 LYS HG3 0.000 . 5.500 5.528 5.528 5.528 0.028 1 0 "[ ]" 1
86 1 12 ASP HA 1 15 LYS HG3 0.000 . 5.500 4.155 4.155 4.155 . 0 0 "[ ]" 1
87 1 12 ASP HA 1 15 LYS HG2 0.000 . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
88 1 16 HIS HA 1 16 HIS HB3 0.000 . 2.800 2.462 2.462 2.462 . 0 0 "[ ]" 1
89 1 15 LYS HA 1 16 HIS H 0.000 . 3.500 2.279 2.279 2.279 . 0 0 "[ ]" 1
90 1 15 LYS HB3 1 16 HIS H 0.000 . 5.500 4.020 4.020 4.020 . 0 0 "[ ]" 1
91 1 15 LYS HB2 1 16 HIS H 0.000 . 5.500 4.585 4.585 4.585 . 0 0 "[ ]" 1
92 1 14 CYS HB3 1 17 GLY H 0.000 . 5.500 3.564 3.564 3.564 . 0 0 "[ ]" 1
93 1 14 CYS HB2 1 17 GLY H 0.000 . 5.500 5.186 5.186 5.186 . 0 0 "[ ]" 1
94 1 15 LYS HA 1 17 GLY H 0.000 . 5.500 4.572 4.572 4.572 . 0 0 "[ ]" 1
95 1 16 HIS HA 1 17 GLY H 0.000 . 5.500 2.690 2.690 2.690 . 0 0 "[ ]" 1
96 1 16 HIS H 1 17 GLY H 0.000 . 5.500 2.742 2.742 2.742 . 0 0 "[ ]" 1
97 1 16 HIS HB3 1 17 GLY H 0.000 . 5.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
98 1 17 GLY H 1 18 GLN H 0.000 . 5.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
99 1 17 GLY HA3 1 18 GLN H 0.000 . 2.800 2.790 2.790 2.790 . 0 0 "[ ]" 1
100 1 17 GLY HA2 1 18 GLN H 0.000 . 3.500 2.444 2.444 2.444 . 0 0 "[ ]" 1
101 1 18 GLN H 1 18 GLN HB3 0.000 . 2.800 2.571 2.571 2.571 . 0 0 "[ ]" 1
102 1 18 GLN H 1 18 GLN HB2 0.000 . 3.500 2.725 2.725 2.725 . 0 0 "[ ]" 1
103 1 18 GLN HA 1 19 CYS H 0.000 . 2.800 2.204 2.204 2.204 . 0 0 "[ ]" 1
104 1 18 GLN H 1 19 CYS H 0.000 . 5.500 4.361 4.361 4.361 . 0 0 "[ ]" 1
105 1 18 GLN HB3 1 19 CYS H 0.000 . 5.500 4.325 4.325 4.325 . 0 0 "[ ]" 1
106 1 18 GLN HB2 1 19 CYS H 0.000 . 5.500 4.486 4.486 4.486 . 0 0 "[ ]" 1
107 1 18 GLN QG 1 19 CYS H 0.000 . 5.500 3.060 3.060 3.060 . 0 0 "[ ]" 1
108 1 19 CYS H 1 19 CYS HB3 0.000 . 3.500 3.199 3.199 3.199 . 0 0 "[ ]" 1
109 1 19 CYS H 1 19 CYS HB2 0.000 . 3.500 3.618 3.618 3.618 0.118 1 0 "[ ]" 1
110 1 8 CYS H 1 19 CYS HB3 0.000 . 5.500 5.364 5.364 5.364 . 0 0 "[ ]" 1
111 1 20 ILE HA 1 20 ILE MD 0.000 . 3.500 3.181 3.181 3.181 . 0 0 "[ ]" 1
112 1 20 ILE HA 1 20 ILE MG 0.000 . 2.800 2.333 2.333 2.333 . 0 0 "[ ]" 1
113 1 19 CYS HA 1 20 ILE HB 0.000 . 5.500 4.491 4.491 4.491 . 0 0 "[ ]" 1
114 1 20 ILE HB 1 20 ILE MD 0.000 . 3.500 2.065 2.065 2.065 . 0 0 "[ ]" 1
115 1 19 CYS HB3 1 20 ILE H 0.000 . 5.500 3.470 3.470 3.470 . 0 0 "[ ]" 1
116 1 19 CYS HB2 1 20 ILE H 0.000 . 5.500 2.208 2.208 2.208 . 0 0 "[ ]" 1
117 1 20 ILE H 1 20 ILE MD 0.000 . 5.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
118 1 20 ILE H 1 20 ILE HG13 0.000 . 5.500 3.852 3.852 3.852 . 0 0 "[ ]" 1
119 1 20 ILE H 1 20 ILE HG12 0.000 . 5.500 4.533 4.533 4.533 . 0 0 "[ ]" 1
120 1 18 GLN H 1 20 ILE MD 0.000 . 5.500 5.546 5.546 5.546 0.046 1 0 "[ ]" 1
121 1 20 ILE HA 1 21 ASN H 0.000 . 2.800 2.209 2.209 2.209 . 0 0 "[ ]" 1
122 1 20 ILE HB 1 21 ASN H 0.000 . 5.500 4.446 4.446 4.446 . 0 0 "[ ]" 1
123 1 20 ILE H 1 21 ASN H 0.000 . 5.500 3.964 3.964 3.964 . 0 0 "[ ]" 1
124 1 20 ILE MD 1 21 ASN H 0.000 . 5.500 4.862 4.862 4.862 . 0 0 "[ ]" 1
125 1 20 ILE HG13 1 21 ASN H 0.000 . 5.500 4.461 4.461 4.461 . 0 0 "[ ]" 1
126 1 20 ILE HG12 1 21 ASN H 0.000 . 5.500 5.538 5.538 5.538 0.038 1 0 "[ ]" 1
127 1 20 ILE MG 1 21 ASN H 0.000 . 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 1
128 1 21 ASN H 1 21 ASN HB3 0.000 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1
129 1 21 ASN H 1 21 ASN HB2 0.000 . 2.800 2.313 2.313 2.313 . 0 0 "[ ]" 1
130 1 21 ASN H 1 21 ASN HD21 0.000 . 5.500 4.149 4.149 4.149 . 0 0 "[ ]" 1
131 1 21 ASN H 1 21 ASN HD22 0.000 . 5.500 5.506 5.506 5.506 0.006 1 0 "[ ]" 1
132 1 8 CYS H 1 21 ASN QB 0.000 . 5.500 5.307 5.307 5.307 . 0 0 "[ ]" 1
133 1 7 GLU QG 1 21 ASN HD21 0.000 . 5.500 4.233 4.233 4.233 . 0 0 "[ ]" 1
134 1 22 THR HA 1 22 THR HB 0.000 . 2.800 2.481 2.481 2.481 . 0 0 "[ ]" 1
135 1 22 THR HA 1 22 THR MG 0.000 . 2.800 2.387 2.387 2.387 . 0 0 "[ ]" 1
136 1 20 ILE HB 1 22 THR H 0.000 . 5.500 5.509 5.509 5.509 0.009 1 0 "[ ]" 1
137 1 20 ILE H 1 22 THR H 0.000 . 5.500 5.500 5.500 5.500 . 0 0 "[ ]" 1
138 1 20 ILE MG 1 22 THR H 0.000 . 5.500 4.474 4.474 4.474 . 0 0 "[ ]" 1
139 1 21 ASN HA 1 22 THR H 0.000 . 2.800 2.171 2.171 2.171 . 0 0 "[ ]" 1
140 1 21 ASN HB3 1 22 THR H 0.000 . 5.500 4.154 4.154 4.154 . 0 0 "[ ]" 1
141 1 21 ASN HB2 1 22 THR H 0.000 . 5.500 4.492 4.492 4.492 . 0 0 "[ ]" 1
142 1 21 ASN HD22 1 22 THR H 0.000 . 5.500 4.234 4.234 4.234 . 0 0 "[ ]" 1
143 1 22 THR H 1 22 THR MG 0.000 . 3.500 2.640 2.640 2.640 . 0 0 "[ ]" 1
144 1 21 ASN HA 1 22 THR MG 0.000 . 5.500 3.787 3.787 3.787 . 0 0 "[ ]" 1
145 1 23 ASP HA 1 23 ASP HB3 0.000 . 2.800 2.845 2.845 2.845 0.045 1 0 "[ ]" 1
146 1 23 ASP HA 1 23 ASP HB2 0.000 . 2.800 2.852 2.852 2.852 0.052 1 0 "[ ]" 1
147 1 23 ASP HA 1 24 GLY H 0.000 . 5.500 3.550 3.550 3.550 . 0 0 "[ ]" 1
148 1 23 ASP HB3 1 24 GLY H 0.000 . 5.500 1.905 1.905 1.905 . 0 0 "[ ]" 1
149 1 23 ASP HB2 1 24 GLY H 0.000 . 5.500 2.734 2.734 2.734 . 0 0 "[ ]" 1
150 1 25 SER HA 1 25 SER HB2 0.000 . 2.800 2.819 2.819 2.819 0.019 1 0 "[ ]" 1
151 1 22 THR H 1 25 SER H 0.000 . 5.500 3.636 3.636 3.636 . 0 0 "[ ]" 1
152 1 23 ASP HA 1 25 SER H 0.000 . 5.500 4.666 4.666 4.666 . 0 0 "[ ]" 1
153 1 24 GLY H 1 25 SER H 0.000 . 5.500 3.021 3.021 3.021 . 0 0 "[ ]" 1
154 1 24 GLY HA2 1 25 SER H 0.000 . 5.500 2.738 2.738 2.738 . 0 0 "[ ]" 1
155 1 23 ASP H 1 25 SER HB2 0.000 . 5.500 5.224 5.224 5.224 . 0 0 "[ ]" 1
156 1 21 ASN HA 1 26 TYR HA 0.000 . 3.500 3.448 3.448 3.448 . 0 0 "[ ]" 1
157 1 21 ASN H 1 26 TYR HA 0.000 . 5.500 5.353 5.353 5.353 . 0 0 "[ ]" 1
158 1 22 THR H 1 26 TYR HA 0.000 . 2.800 2.702 2.702 2.702 . 0 0 "[ ]" 1
159 1 22 THR MG 1 26 TYR HA 0.000 . 3.500 2.636 2.636 2.636 . 0 0 "[ ]" 1
160 1 7 GLU QB 1 26 TYR H 0.000 . 5.500 4.432 4.432 4.432 . 0 0 "[ ]" 1
161 1 22 THR H 1 26 TYR H 0.000 . 5.500 4.774 4.774 4.774 . 0 0 "[ ]" 1
162 1 22 THR MG 1 26 TYR H 0.000 . 5.500 3.825 3.825 3.825 . 0 0 "[ ]" 1
163 1 25 SER HA 1 26 TYR H 0.000 . 2.800 2.832 2.832 2.832 0.032 1 0 "[ ]" 1
164 1 25 SER H 1 26 TYR H 0.000 . 5.500 4.309 4.309 4.309 . 0 0 "[ ]" 1
165 1 25 SER HB3 1 26 TYR H 0.000 . 2.800 2.016 2.016 2.016 . 0 0 "[ ]" 1
166 1 25 SER HB2 1 26 TYR H 0.000 . 3.500 3.518 3.518 3.518 0.018 1 0 "[ ]" 1
167 1 26 TYR H 1 26 TYR QD 0.000 . 3.500 2.889 2.889 2.889 . 0 0 "[ ]" 1
168 1 26 TYR H 1 26 TYR QE 0.000 . 5.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
169 1 21 ASN HA 1 26 TYR HB3 0.000 . 5.500 3.554 3.554 3.554 . 0 0 "[ ]" 1
170 1 22 THR H 1 26 TYR HB3 0.000 . 5.500 3.615 3.615 3.615 . 0 0 "[ ]" 1
171 1 7 GLU QB 1 26 TYR HB2 0.000 . 5.500 3.159 3.159 3.159 . 0 0 "[ ]" 1
172 1 21 ASN HA 1 26 TYR HB2 0.000 . 5.500 3.955 3.955 3.955 . 0 0 "[ ]" 1
173 1 22 THR H 1 26 TYR HB2 0.000 . 5.500 4.418 4.418 4.418 . 0 0 "[ ]" 1
174 1 7 GLU HA 1 26 TYR QD 0.000 . 5.500 4.421 4.421 4.421 . 0 0 "[ ]" 1
175 1 7 GLU QB 1 26 TYR QD 0.000 . 3.500 2.035 2.035 2.035 . 0 0 "[ ]" 1
176 1 7 GLU HG3 1 26 TYR QD 0.000 . 5.500 4.275 4.275 4.275 . 0 0 "[ ]" 1
177 1 7 GLU HG2 1 26 TYR QD 0.000 . 5.500 3.179 3.179 3.179 . 0 0 "[ ]" 1
178 1 13 VAL MG1 1 26 TYR QD 0.000 . 5.500 2.927 2.927 2.927 . 0 0 "[ ]" 1
179 1 13 VAL MG2 1 26 TYR QD 0.000 . 5.500 4.462 4.462 4.462 . 0 0 "[ ]" 1
180 1 21 ASN HA 1 26 TYR QD 0.000 . 5.500 5.396 5.396 5.396 . 0 0 "[ ]" 1
181 1 22 THR H 1 26 TYR QD 0.000 . 5.500 5.077 5.077 5.077 . 0 0 "[ ]" 1
182 1 26 TYR HB3 1 26 TYR QD 0.000 . 2.800 2.475 2.475 2.475 . 0 0 "[ ]" 1
183 1 26 TYR HB2 1 26 TYR QD 0.000 . 3.500 2.363 2.363 2.363 . 0 0 "[ ]" 1
184 1 7 GLU QB 1 26 TYR QE 0.000 . 5.500 2.916 2.916 2.916 . 0 0 "[ ]" 1
185 1 7 GLU HG3 1 26 TYR QE 0.000 . 5.500 5.514 5.514 5.514 0.014 1 0 "[ ]" 1
186 1 7 GLU HG2 1 26 TYR QE 0.000 . 5.500 4.201 4.201 4.201 . 0 0 "[ ]" 1
187 1 13 VAL HB 1 26 TYR QE 0.000 . 5.500 4.841 4.841 4.841 . 0 0 "[ ]" 1
188 1 13 VAL MG1 1 26 TYR QE 0.000 . 3.500 2.158 2.158 2.158 . 0 0 "[ ]" 1
189 1 13 VAL MG2 1 26 TYR QE 0.000 . 3.500 3.524 3.524 3.524 0.024 1 0 "[ ]" 1
190 1 26 TYR QD 1 27 ARG HA 0.000 . 5.500 3.373 3.373 3.373 . 0 0 "[ ]" 1
191 1 26 TYR QE 1 27 ARG HA 0.000 . 5.500 4.548 4.548 4.548 . 0 0 "[ ]" 1
192 1 27 ARG HA 1 27 ARG QB 0.000 . 2.800 2.484 2.484 2.484 . 0 0 "[ ]" 1
193 1 20 ILE H 1 27 ARG H 0.000 . 5.500 2.528 2.528 2.528 . 0 0 "[ ]" 1
194 1 20 ILE MG 1 27 ARG H 0.000 . 5.500 4.992 4.992 4.992 . 0 0 "[ ]" 1
195 1 21 ASN HA 1 27 ARG H 0.000 . 5.500 4.722 4.722 4.722 . 0 0 "[ ]" 1
196 1 22 THR H 1 27 ARG H 0.000 . 5.500 4.981 4.981 4.981 . 0 0 "[ ]" 1
197 1 22 THR MG 1 27 ARG H 0.000 . 5.500 4.096 4.096 4.096 . 0 0 "[ ]" 1
198 1 26 TYR HA 1 27 ARG H 0.000 . 2.800 2.639 2.639 2.639 . 0 0 "[ ]" 1
199 1 26 TYR H 1 27 ARG H 0.000 . 5.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
200 1 26 TYR HB3 1 27 ARG H 0.000 . 3.500 3.542 3.542 3.542 0.042 1 0 "[ ]" 1
201 1 26 TYR HB2 1 27 ARG H 0.000 . 5.500 2.028 2.028 2.028 . 0 0 "[ ]" 1
202 1 26 TYR QD 1 27 ARG H 0.000 . 5.500 2.789 2.789 2.789 . 0 0 "[ ]" 1
203 1 22 THR MG 1 27 ARG HD3 0.000 . 5.500 4.541 4.541 4.541 . 0 0 "[ ]" 1
204 1 22 THR MG 1 27 ARG HD2 0.000 . 5.500 3.080 3.080 3.080 . 0 0 "[ ]" 1
205 1 18 GLN H 1 28 CYS HA 0.000 . 5.500 5.248 5.248 5.248 . 0 0 "[ ]" 1
206 1 19 CYS HA 1 28 CYS HA 0.000 . 3.500 2.913 2.913 2.913 . 0 0 "[ ]" 1
207 1 20 ILE H 1 28 CYS HA 0.000 . 5.500 4.575 4.575 4.575 . 0 0 "[ ]" 1
208 1 8 CYS HB2 1 28 CYS H 0.000 . 5.500 5.543 5.543 5.543 0.043 1 0 "[ ]" 1
209 1 19 CYS HA 1 28 CYS H 0.000 . 5.500 4.932 4.932 4.932 . 0 0 "[ ]" 1
210 1 26 TYR QD 1 28 CYS H 0.000 . 5.500 3.253 3.253 3.253 . 0 0 "[ ]" 1
211 1 27 ARG HA 1 28 CYS H 0.000 . 2.800 2.189 2.189 2.189 . 0 0 "[ ]" 1
212 1 27 ARG H 1 28 CYS H 0.000 . 5.500 3.953 3.953 3.953 . 0 0 "[ ]" 1
213 1 27 ARG QB 1 28 CYS H 0.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
214 1 27 ARG QG 1 28 CYS H 0.000 . 5.500 3.953 3.953 3.953 . 0 0 "[ ]" 1
215 1 28 CYS H 1 28 CYS QB 0.000 . 3.500 2.222 2.222 2.222 . 0 0 "[ ]" 1
216 1 19 CYS HA 1 28 CYS HB3 0.000 . 5.500 5.480 5.480 5.480 . 0 0 "[ ]" 1
217 1 26 TYR QD 1 28 CYS HB3 0.000 . 5.500 5.290 5.290 5.290 . 0 0 "[ ]" 1
218 1 26 TYR QE 1 28 CYS HB3 0.000 . 5.500 5.181 5.181 5.181 . 0 0 "[ ]" 1
219 1 26 TYR QD 1 28 CYS HB2 0.000 . 5.500 4.253 4.253 4.253 . 0 0 "[ ]" 1
220 1 26 TYR QE 1 28 CYS HB2 0.000 . 5.500 3.865 3.865 3.865 . 0 0 "[ ]" 1
221 1 18 GLN H 1 29 GLU H 0.000 . 5.500 4.453 4.453 4.453 . 0 0 "[ ]" 1
222 1 19 CYS HA 1 29 GLU H 0.000 . 5.500 2.537 2.537 2.537 . 0 0 "[ ]" 1
223 1 20 ILE H 1 29 GLU H 0.000 . 5.500 4.572 4.572 4.572 . 0 0 "[ ]" 1
224 1 20 ILE MD 1 29 GLU H 0.000 . 5.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
225 1 28 CYS HA 1 29 GLU H 0.000 . 2.800 2.328 2.328 2.328 . 0 0 "[ ]" 1
226 1 28 CYS H 1 29 GLU H 0.000 . 5.500 4.036 4.036 4.036 . 0 0 "[ ]" 1
227 1 28 CYS QB 1 29 GLU H 0.000 . 5.500 3.838 3.838 3.838 . 0 0 "[ ]" 1
228 1 29 GLU H 1 29 GLU HB3 0.000 . 3.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
229 1 28 CYS H 1 29 GLU QG 0.000 . 5.500 5.048 5.048 5.048 . 0 0 "[ ]" 1
230 1 17 GLY HA3 1 30 CYS HA 0.000 . 5.500 3.404 3.404 3.404 . 0 0 "[ ]" 1
231 1 17 GLY HA2 1 30 CYS HA 0.000 . 5.500 3.145 3.145 3.145 . 0 0 "[ ]" 1
232 1 18 GLN H 1 30 CYS HA 0.000 . 3.500 2.628 2.628 2.628 . 0 0 "[ ]" 1
233 1 29 GLU HA 1 30 CYS H 0.000 . 2.800 2.217 2.217 2.217 . 0 0 "[ ]" 1
234 1 29 GLU H 1 30 CYS H 0.000 . 5.500 4.274 4.274 4.274 . 0 0 "[ ]" 1
235 1 29 GLU HB3 1 30 CYS H 0.000 . 5.500 3.905 3.905 3.905 . 0 0 "[ ]" 1
236 1 29 GLU HB2 1 30 CYS H 0.000 . 5.500 4.627 4.627 4.627 . 0 0 "[ ]" 1
237 1 29 GLU QG 1 30 CYS H 0.000 . 5.500 3.868 3.868 3.868 . 0 0 "[ ]" 1
238 1 17 GLY HA2 1 30 CYS HB3 0.000 . 5.500 5.399 5.399 5.399 . 0 0 "[ ]" 1
239 1 17 GLY HA2 1 30 CYS HB2 0.000 . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
240 1 17 GLY HA3 1 31 PRO HD3 0.000 . 5.500 3.709 3.709 3.709 . 0 0 "[ ]" 1
241 1 30 CYS HA 1 31 PRO HD2 0.000 . 5.500 2.432 2.432 2.432 . 0 0 "[ ]" 1
242 1 30 CYS HB3 1 31 PRO HD2 0.000 . 5.500 2.648 2.648 2.648 . 0 0 "[ ]" 1
243 1 30 CYS HB2 1 31 PRO HD2 0.000 . 5.500 3.793 3.793 3.793 . 0 0 "[ ]" 1
244 1 18 GLN H 1 31 PRO QG 0.000 . 5.500 4.064 4.064 4.064 . 0 0 "[ ]" 1
245 1 30 CYS HA 1 31 PRO HG3 0.000 . 5.500 4.218 4.218 4.218 . 0 0 "[ ]" 1
246 1 30 CYS HA 1 31 PRO HG2 0.000 . 5.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
247 1 32 PHE HA 1 32 PHE HB2 0.000 . 2.800 2.542 2.542 2.542 . 0 0 "[ ]" 1
248 1 31 PRO HA 1 32 PHE H 0.000 . 2.800 2.698 2.698 2.698 . 0 0 "[ ]" 1
249 1 31 PRO HB3 1 32 PHE H 0.000 . 2.800 2.867 2.867 2.867 0.067 1 0 "[ ]" 1
250 1 31 PRO HB2 1 32 PHE H 0.000 . 2.800 2.164 2.164 2.164 . 0 0 "[ ]" 1
251 1 31 PRO HG3 1 32 PHE H 0.000 . 5.500 4.768 4.768 4.768 . 0 0 "[ ]" 1
252 1 31 PRO HG2 1 32 PHE H 0.000 . 5.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
253 1 32 PHE H 1 32 PHE HB3 0.000 . 2.800 2.622 2.622 2.622 . 0 0 "[ ]" 1
254 1 32 PHE H 1 32 PHE HB2 0.000 . 3.500 2.677 2.677 2.677 . 0 0 "[ ]" 1
255 1 32 PHE H 1 32 PHE QD 0.000 . 5.500 4.219 4.219 4.219 . 0 0 "[ ]" 1
256 1 31 PRO HB2 1 32 PHE HB3 0.000 . 5.500 4.391 4.391 4.391 . 0 0 "[ ]" 1
257 1 32 PHE HA 1 32 PHE QD 0.000 . 2.800 1.757 1.757 1.757 . 0 0 "[ ]" 1
258 1 32 PHE HB3 1 32 PHE QD 0.000 . 2.800 2.394 2.394 2.394 . 0 0 "[ ]" 1
259 1 32 PHE HB2 1 32 PHE QD 0.000 . 2.800 2.786 2.786 2.786 . 0 0 "[ ]" 1
260 1 32 PHE HA 1 32 PHE QE 0.000 . 5.500 4.127 4.127 4.127 . 0 0 "[ ]" 1
261 1 32 PHE HA 1 33 GLY H 0.000 . 2.800 2.209 2.209 2.209 . 0 0 "[ ]" 1
262 1 32 PHE H 1 33 GLY H 0.000 . 5.500 4.209 4.209 4.209 . 0 0 "[ ]" 1
263 1 32 PHE HB2 1 33 GLY H 0.000 . 5.500 4.560 4.560 4.560 . 0 0 "[ ]" 1
264 1 32 PHE QD 1 33 GLY H 0.000 . 5.500 2.907 2.907 2.907 . 0 0 "[ ]" 1
265 1 32 PHE QD 1 33 GLY HA2 0.000 . 5.500 4.456 4.456 4.456 . 0 0 "[ ]" 1
266 1 30 CYS HB2 1 34 TYR H 0.000 . 5.500 5.353 5.353 5.353 . 0 0 "[ ]" 1
267 1 31 PRO HB3 1 34 TYR H 0.000 . 5.500 5.439 5.439 5.439 . 0 0 "[ ]" 1
268 1 31 PRO HB2 1 34 TYR H 0.000 . 5.500 3.895 3.895 3.895 . 0 0 "[ ]" 1
269 1 31 PRO HG3 1 34 TYR H 0.000 . 5.500 5.585 5.585 5.585 0.085 1 0 "[ ]" 1
270 1 31 PRO HG2 1 34 TYR H 0.000 . 5.500 4.059 4.059 4.059 . 0 0 "[ ]" 1
271 1 32 PHE HA 1 34 TYR H 0.000 . 3.500 3.549 3.549 3.549 0.049 1 0 "[ ]" 1
272 1 32 PHE H 1 34 TYR H 0.000 . 5.500 4.404 4.404 4.404 . 0 0 "[ ]" 1
273 1 33 GLY HA2 1 34 TYR H 0.000 . 3.500 3.393 3.393 3.393 . 0 0 "[ ]" 1
274 1 34 TYR H 1 34 TYR QD 0.000 . 2.800 2.363 2.363 2.363 . 0 0 "[ ]" 1
275 1 34 TYR H 1 34 TYR QE 0.000 . 5.500 4.715 4.715 4.715 . 0 0 "[ ]" 1
276 1 33 GLY H 1 34 TYR HB3 0.000 . 5.500 5.543 5.543 5.543 0.043 1 0 "[ ]" 1
277 1 30 CYS H 1 34 TYR HB2 0.000 . 5.500 5.496 5.496 5.496 . 0 0 "[ ]" 1
278 1 16 HIS HB3 1 34 TYR QD 0.000 . 5.500 4.251 4.251 4.251 . 0 0 "[ ]" 1
279 1 31 PRO HB3 1 34 TYR QD 0.000 . 5.500 4.828 4.828 4.828 . 0 0 "[ ]" 1
280 1 31 PRO HB2 1 34 TYR QD 0.000 . 5.500 3.306 3.306 3.306 . 0 0 "[ ]" 1
281 1 31 PRO HD2 1 34 TYR QD 0.000 . 5.500 3.457 3.457 3.457 . 0 0 "[ ]" 1
282 1 31 PRO HG3 1 34 TYR QD 0.000 . 5.500 4.342 4.342 4.342 . 0 0 "[ ]" 1
283 1 31 PRO HG2 1 34 TYR QD 0.000 . 5.500 2.852 2.852 2.852 . 0 0 "[ ]" 1
284 1 32 PHE H 1 34 TYR QD 0.000 . 5.500 4.658 4.658 4.658 . 0 0 "[ ]" 1
285 1 33 GLY H 1 34 TYR QD 0.000 . 5.500 3.824 3.824 3.824 . 0 0 "[ ]" 1
286 1 33 GLY HA2 1 34 TYR QD 0.000 . 5.500 4.135 4.135 4.135 . 0 0 "[ ]" 1
287 1 34 TYR HA 1 34 TYR QD 0.000 . 3.500 2.983 2.983 2.983 . 0 0 "[ ]" 1
288 1 34 TYR HB2 1 34 TYR QD 0.000 . 2.800 2.652 2.652 2.652 . 0 0 "[ ]" 1
289 1 16 HIS HB3 1 34 TYR QE 0.000 . 5.500 3.691 3.691 3.691 . 0 0 "[ ]" 1
290 1 16 HIS HB2 1 34 TYR QE 0.000 . 5.500 4.858 4.858 4.858 . 0 0 "[ ]" 1
291 1 31 PRO HB3 1 34 TYR QE 0.000 . 5.500 5.521 5.521 5.521 0.021 1 0 "[ ]" 1
292 1 31 PRO HB2 1 34 TYR QE 0.000 . 5.500 4.326 4.326 4.326 . 0 0 "[ ]" 1
293 1 31 PRO HG3 1 34 TYR QE 0.000 . 5.500 4.819 4.819 4.819 . 0 0 "[ ]" 1
294 1 31 PRO HG2 1 34 TYR QE 0.000 . 5.500 3.660 3.660 3.660 . 0 0 "[ ]" 1
295 1 33 GLY HA2 1 34 TYR QE 0.000 . 5.500 5.539 5.539 5.539 0.039 1 0 "[ ]" 1
296 1 34 TYR HA 1 34 TYR QE 0.000 . 5.500 4.497 4.497 4.497 . 0 0 "[ ]" 1
297 1 35 ILE HA 1 35 ILE HB 0.000 . 2.800 2.391 2.391 2.391 . 0 0 "[ ]" 1
298 1 35 ILE HA 1 35 ILE MG 0.000 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
299 1 30 CYS HB2 1 35 ILE H 0.000 . 5.500 3.921 3.921 3.921 . 0 0 "[ ]" 1
300 1 34 TYR HA 1 35 ILE H 0.000 . 2.800 2.692 2.692 2.692 . 0 0 "[ ]" 1
301 1 34 TYR H 1 35 ILE H 0.000 . 5.500 4.416 4.416 4.416 . 0 0 "[ ]" 1
302 1 34 TYR HB3 1 35 ILE H 0.000 . 2.800 1.885 1.885 1.885 . 0 0 "[ ]" 1
303 1 34 TYR HB2 1 35 ILE H 0.000 . 5.500 3.259 3.259 3.259 . 0 0 "[ ]" 1
304 1 34 TYR QD 1 35 ILE H 0.000 . 3.500 3.505 3.505 3.505 0.005 1 0 "[ ]" 1
305 1 34 TYR QE 1 35 ILE H 0.000 . 5.500 5.607 5.607 5.607 0.107 1 0 "[ ]" 1
306 1 35 ILE H 1 35 ILE MD 0.000 . 3.500 1.752 1.752 1.752 . 0 0 "[ ]" 1
307 1 35 ILE H 1 35 ILE HG13 0.000 . 5.500 4.138 4.138 4.138 . 0 0 "[ ]" 1
308 1 35 ILE H 1 35 ILE HG12 0.000 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
309 1 35 ILE H 1 35 ILE MG 0.000 . 2.800 2.824 2.824 2.824 0.024 1 0 "[ ]" 1
310 1 34 TYR QD 1 35 ILE MD 0.000 . 5.500 3.790 3.790 3.790 . 0 0 "[ ]" 1
311 1 34 TYR QE 1 35 ILE MD 0.000 . 5.500 5.285 5.285 5.285 . 0 0 "[ ]" 1
312 1 36 LEU HA 1 36 LEU HG 0.000 . 2.800 2.817 2.817 2.817 0.017 1 0 "[ ]" 1
313 1 36 LEU HA 1 36 LEU MD1 0.000 . 2.800 2.136 2.136 2.136 . 0 0 "[ ]" 1
314 1 30 CYS HB3 1 36 LEU H 0.000 . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
315 1 30 CYS HB2 1 36 LEU H 0.000 . 5.500 4.617 4.617 4.617 . 0 0 "[ ]" 1
316 1 35 ILE HB 1 36 LEU H 0.000 . 2.800 2.057 2.057 2.057 . 0 0 "[ ]" 1
317 1 35 ILE H 1 36 LEU H 0.000 . 5.500 4.321 4.321 4.321 . 0 0 "[ ]" 1
318 1 35 ILE MG 1 36 LEU H 0.000 . 5.500 3.698 3.698 3.698 . 0 0 "[ ]" 1
319 1 36 LEU H 1 36 LEU QB 0.000 . 2.800 2.667 2.667 2.667 . 0 0 "[ ]" 1
320 1 36 LEU H 1 36 LEU MD1 0.000 . 5.500 4.289 4.289 4.289 . 0 0 "[ ]" 1
321 1 36 LEU QB 1 36 LEU MD2 0.000 . 2.800 2.045 2.045 2.045 . 0 0 "[ ]" 1
322 1 35 ILE H 1 36 LEU QD 0.000 . 5.500 5.123 5.123 5.123 . 0 0 "[ ]" 1
323 1 28 CYS HA 1 36 LEU MD1 0.000 . 5.500 4.395 4.395 4.395 . 0 0 "[ ]" 1
324 1 28 CYS H 1 36 LEU MD1 0.000 . 5.500 4.750 4.750 4.750 . 0 0 "[ ]" 1
325 1 28 CYS HB3 1 36 LEU MD1 0.000 . 3.500 2.121 2.121 2.121 . 0 0 "[ ]" 1
326 1 28 CYS HB2 1 36 LEU MD1 0.000 . 3.500 2.759 2.759 2.759 . 0 0 "[ ]" 1
327 1 29 GLU H 1 36 LEU MD1 0.000 . 5.500 5.504 5.504 5.504 0.004 1 0 "[ ]" 1
328 1 28 CYS H 1 36 LEU MD2 0.000 . 5.500 3.795 3.795 3.795 . 0 0 "[ ]" 1
329 1 28 CYS HB3 1 36 LEU MD2 0.000 . 5.500 2.525 2.525 2.525 . 0 0 "[ ]" 1
330 1 28 CYS HB2 1 36 LEU MD2 0.000 . 3.500 2.167 2.167 2.167 . 0 0 "[ ]" 1
331 1 29 GLU H 1 36 LEU MD2 0.000 . 5.500 5.441 5.441 5.441 . 0 0 "[ ]" 1
332 1 36 LEU MD1 1 36 LEU MD2 0.000 . 2.800 1.976 1.976 1.976 . 0 0 "[ ]" 1
333 1 36 LEU HA 1 37 ALA H 0.000 . 2.800 2.181 2.181 2.181 . 0 0 "[ ]" 1
334 1 36 LEU H 1 37 ALA H 0.000 . 5.500 4.211 4.211 4.211 . 0 0 "[ ]" 1
335 1 36 LEU QB 1 37 ALA H 0.000 . 5.500 3.801 3.801 3.801 . 0 0 "[ ]" 1
336 1 36 LEU MD1 1 37 ALA H 0.000 . 2.800 2.805 2.805 2.805 0.005 1 0 "[ ]" 1
337 1 36 LEU MD2 1 37 ALA H 0.000 . 5.500 4.465 4.465 4.465 . 0 0 "[ ]" 1
338 1 35 ILE MD 1 37 ALA MB 0.000 . 5.500 4.228 4.228 4.228 . 0 0 "[ ]" 1
339 1 37 ALA HA 1 38 GLY H 0.000 . 2.800 2.654 2.654 2.654 . 0 0 "[ ]" 1
340 1 37 ALA H 1 38 GLY H 0.000 . 5.500 3.376 3.376 3.376 . 0 0 "[ ]" 1
341 1 37 ALA MB 1 38 GLY H 0.000 . 5.500 3.729 3.729 3.729 . 0 0 "[ ]" 1
342 1 37 ALA MB 1 38 GLY HA2 0.000 . 5.500 5.052 5.052 5.052 . 0 0 "[ ]" 1
343 1 13 VAL HA 1 39 ASN HA 0.000 . 5.500 3.967 3.967 3.967 . 0 0 "[ ]" 1
344 1 36 LEU HG 1 39 ASN HA 0.000 . 5.500 3.362 3.362 3.362 . 0 0 "[ ]" 1
345 1 36 LEU MD1 1 39 ASN HA 0.000 . 2.800 2.596 2.596 2.596 . 0 0 "[ ]" 1
346 1 39 ASN HA 1 39 ASN HB3 0.000 . 2.800 2.828 2.828 2.828 0.028 1 0 "[ ]" 1
347 1 39 ASN HA 1 39 ASN HB2 0.000 . 2.800 2.869 2.869 2.869 0.069 1 0 "[ ]" 1
348 1 38 GLY HA3 1 39 ASN H 0.000 . 5.500 3.208 3.208 3.208 . 0 0 "[ ]" 1
349 1 38 GLY HA2 1 39 ASN H 0.000 . 5.500 3.371 3.371 3.371 . 0 0 "[ ]" 1
350 1 13 VAL HA 1 39 ASN HB3 0.000 . 5.500 2.863 2.863 2.863 . 0 0 "[ ]" 1
351 1 13 VAL MG1 1 39 ASN HB3 0.000 . 5.500 4.229 4.229 4.229 . 0 0 "[ ]" 1
352 1 13 VAL MG2 1 39 ASN HB3 0.000 . 5.500 4.671 4.671 4.671 . 0 0 "[ ]" 1
353 1 13 VAL HA 1 39 ASN HB2 0.000 . 5.500 3.959 3.959 3.959 . 0 0 "[ ]" 1
354 1 13 VAL MG1 1 39 ASN HB2 0.000 . 5.500 4.980 4.980 4.980 . 0 0 "[ ]" 1
355 1 13 VAL MG2 1 39 ASN HB2 0.000 . 5.500 5.446 5.446 5.446 . 0 0 "[ ]" 1
356 1 13 VAL HA 1 39 ASN HD21 0.000 . 5.500 2.753 2.753 2.753 . 0 0 "[ ]" 1
357 1 13 VAL QG 1 39 ASN HD21 0.000 . 5.500 3.477 3.477 3.477 . 0 0 "[ ]" 1
358 1 13 VAL H 1 39 ASN HD22 0.000 . 5.500 5.217 5.217 5.217 . 0 0 "[ ]" 1
359 1 15 LYS HA 1 40 GLU HA 0.000 . 5.500 5.181 5.181 5.181 . 0 0 "[ ]" 1
360 1 37 ALA H 1 40 GLU HA 0.000 . 5.500 4.889 4.889 4.889 . 0 0 "[ ]" 1
361 1 40 GLU HA 1 40 GLU QG 0.000 . 3.500 2.331 2.331 2.331 . 0 0 "[ ]" 1
362 1 15 LYS HB2 1 40 GLU H 0.000 . 5.500 4.950 4.950 4.950 . 0 0 "[ ]" 1
363 1 36 LEU HA 1 40 GLU H 0.000 . 5.500 5.245 5.245 5.245 . 0 0 "[ ]" 1
364 1 36 LEU MD1 1 40 GLU H 0.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 1
365 1 36 LEU MD2 1 40 GLU H 0.000 . 5.500 5.162 5.162 5.162 . 0 0 "[ ]" 1
366 1 37 ALA H 1 40 GLU H 0.000 . 5.500 3.767 3.767 3.767 . 0 0 "[ ]" 1
367 1 37 ALA MB 1 40 GLU H 0.000 . 3.500 3.481 3.481 3.481 . 0 0 "[ ]" 1
368 1 38 GLY HA3 1 40 GLU H 0.000 . 5.500 4.650 4.650 4.650 . 0 0 "[ ]" 1
369 1 38 GLY HA2 1 40 GLU H 0.000 . 5.500 5.481 5.481 5.481 . 0 0 "[ ]" 1
370 1 39 ASN H 1 40 GLU H 0.000 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
371 1 39 ASN HB3 1 40 GLU H 0.000 . 3.500 2.637 2.637 2.637 . 0 0 "[ ]" 1
372 1 39 ASN HB2 1 40 GLU H 0.000 . 3.500 2.924 2.924 2.924 . 0 0 "[ ]" 1
373 1 40 GLU H 1 40 GLU HB3 0.000 . 2.800 2.581 2.581 2.581 . 0 0 "[ ]" 1
374 1 40 GLU H 1 40 GLU HB2 0.000 . 2.800 2.536 2.536 2.536 . 0 0 "[ ]" 1
375 1 37 ALA H 1 40 GLU QB 0.000 . 5.500 3.640 3.640 3.640 . 0 0 "[ ]" 1
376 1 37 ALA H 1 40 GLU QG 0.000 . 5.500 4.657 4.657 4.657 . 0 0 "[ ]" 1
377 1 36 LEU HA 1 41 CYS HA 0.000 . 2.800 2.412 2.412 2.412 . 0 0 "[ ]" 1
378 1 36 LEU HG 1 41 CYS HA 0.000 . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
379 1 36 LEU H 1 41 CYS HA 0.000 . 5.500 4.868 4.868 4.868 . 0 0 "[ ]" 1
380 1 36 LEU MD1 1 41 CYS HA 0.000 . 2.800 2.655 2.655 2.655 . 0 0 "[ ]" 1
381 1 37 ALA H 1 41 CYS HA 0.000 . 3.500 3.441 3.441 3.441 . 0 0 "[ ]" 1
382 1 40 GLU H 1 41 CYS HA 0.000 . 5.500 5.401 5.401 5.401 . 0 0 "[ ]" 1
383 1 15 LYS H 1 41 CYS H 0.000 . 5.500 4.721 4.721 4.721 . 0 0 "[ ]" 1
384 1 15 LYS HB3 1 41 CYS H 0.000 . 5.500 3.683 3.683 3.683 . 0 0 "[ ]" 1
385 1 15 LYS HB2 1 41 CYS H 0.000 . 5.500 2.869 2.869 2.869 . 0 0 "[ ]" 1
386 1 16 HIS H 1 41 CYS H 0.000 . 5.500 5.193 5.193 5.193 . 0 0 "[ ]" 1
387 1 36 LEU MD1 1 41 CYS H 0.000 . 5.500 3.375 3.375 3.375 . 0 0 "[ ]" 1
388 1 37 ALA MB 1 41 CYS H 0.000 . 5.500 5.527 5.527 5.527 0.027 1 0 "[ ]" 1
389 1 40 GLU HA 1 41 CYS H 0.000 . 2.800 2.186 2.186 2.186 . 0 0 "[ ]" 1
390 1 40 GLU H 1 41 CYS H 0.000 . 5.500 4.535 4.535 4.535 . 0 0 "[ ]" 1
391 1 41 CYS H 1 41 CYS HB3 0.000 . 3.500 3.200 3.200 3.200 . 0 0 "[ ]" 1
392 1 16 HIS HB3 1 41 CYS HB3 0.000 . 5.500 4.117 4.117 4.117 . 0 0 "[ ]" 1
393 1 16 HIS HB2 1 41 CYS HB3 0.000 . 5.500 3.418 3.418 3.418 . 0 0 "[ ]" 1
394 1 34 TYR QD 1 41 CYS HB2 0.000 . 5.500 5.506 5.506 5.506 0.006 1 0 "[ ]" 1
395 1 34 TYR QD 1 42 VAL HA 0.000 . 2.800 2.230 2.230 2.230 . 0 0 "[ ]" 1
396 1 34 TYR QE 1 42 VAL HA 0.000 . 5.500 2.931 2.931 2.931 . 0 0 "[ ]" 1
397 1 41 CYS HA 1 42 VAL HA 0.000 . 5.500 4.509 4.509 4.509 . 0 0 "[ ]" 1
398 1 42 VAL HA 1 42 VAL HB 0.000 . 2.800 2.625 2.625 2.625 . 0 0 "[ ]" 1
399 1 42 VAL HA 1 42 VAL MG1 0.000 . 2.800 2.037 2.037 2.037 . 0 0 "[ ]" 1
400 1 42 VAL HA 1 42 VAL MG2 0.000 . 3.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
401 1 34 TYR QD 1 42 VAL HB 0.000 . 5.500 4.310 4.310 4.310 . 0 0 "[ ]" 1
402 1 35 ILE H 1 42 VAL HB 0.000 . 5.500 5.341 5.341 5.341 . 0 0 "[ ]" 1
403 1 34 TYR HB2 1 42 VAL H 0.000 . 5.500 4.927 4.927 4.927 . 0 0 "[ ]" 1
404 1 34 TYR QD 1 42 VAL H 0.000 . 5.500 3.242 3.242 3.242 . 0 0 "[ ]" 1
405 1 35 ILE MG 1 42 VAL H 0.000 . 5.500 4.690 4.690 4.690 . 0 0 "[ ]" 1
406 1 36 LEU HA 1 42 VAL H 0.000 . 5.500 3.780 3.780 3.780 . 0 0 "[ ]" 1
407 1 36 LEU MD1 1 42 VAL H 0.000 . 5.500 4.426 4.426 4.426 . 0 0 "[ ]" 1
408 1 37 ALA H 1 42 VAL H 0.000 . 5.500 4.695 4.695 4.695 . 0 0 "[ ]" 1
409 1 37 ALA MB 1 42 VAL H 0.000 . 5.500 5.149 5.149 5.149 . 0 0 "[ ]" 1
410 1 41 CYS HA 1 42 VAL H 0.000 . 2.800 2.236 2.236 2.236 . 0 0 "[ ]" 1
411 1 41 CYS H 1 42 VAL H 0.000 . 5.500 4.560 4.560 4.560 . 0 0 "[ ]" 1
412 1 41 CYS HB3 1 42 VAL H 0.000 . 3.500 3.500 3.500 3.500 0.000 1 0 "[ ]" 1
413 1 41 CYS HB2 1 42 VAL H 0.000 . 5.500 4.428 4.428 4.428 . 0 0 "[ ]" 1
414 1 42 VAL H 1 42 VAL MG2 0.000 . 3.500 2.071 2.071 2.071 . 0 0 "[ ]" 1
415 1 41 CYS H 1 42 VAL QG 0.000 . 5.500 3.792 3.792 3.792 . 0 0 "[ ]" 1
416 1 16 HIS HA 1 42 VAL MG1 0.000 . 5.500 5.517 5.517 5.517 0.017 1 0 "[ ]" 1
417 1 34 TYR QD 1 42 VAL MG2 0.000 . 5.500 4.226 4.226 4.226 . 0 0 "[ ]" 1
418 1 37 ALA H 1 42 VAL MG2 0.000 . 5.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
419 1 37 ALA MB 1 42 VAL MG2 0.000 . 3.500 3.366 3.366 3.366 . 0 0 "[ ]" 1
420 1 41 CYS HA 1 42 VAL MG2 0.000 . 5.500 3.298 3.298 3.298 . 0 0 "[ ]" 1
421 1 34 TYR HA 1 43 ASP HA 0.000 . 2.800 1.823 1.823 1.823 . 0 0 "[ ]" 1
422 1 34 TYR HB3 1 43 ASP HA 0.000 . 5.500 3.578 3.578 3.578 . 0 0 "[ ]" 1
423 1 34 TYR QD 1 43 ASP HA 0.000 . 3.500 3.255 3.255 3.255 . 0 0 "[ ]" 1
424 1 34 TYR QE 1 43 ASP HA 0.000 . 5.500 4.005 4.005 4.005 . 0 0 "[ ]" 1
425 1 35 ILE H 1 43 ASP HA 0.000 . 5.500 3.756 3.756 3.756 . 0 0 "[ ]" 1
426 1 42 VAL HA 1 43 ASP HA 0.000 . 5.500 4.399 4.399 4.399 . 0 0 "[ ]" 1
427 1 42 VAL MG1 1 43 ASP HA 0.000 . 5.500 5.427 5.427 5.427 . 0 0 "[ ]" 1
428 1 34 TYR HA 1 43 ASP H 0.000 . 5.500 4.463 4.463 4.463 . 0 0 "[ ]" 1
429 1 34 TYR QD 1 43 ASP H 0.000 . 5.500 3.623 3.623 3.623 . 0 0 "[ ]" 1
430 1 34 TYR QE 1 43 ASP H 0.000 . 5.500 3.718 3.718 3.718 . 0 0 "[ ]" 1
431 1 35 ILE H 1 43 ASP H 0.000 . 5.500 5.000 5.000 5.000 . 0 0 "[ ]" 1
432 1 42 VAL HA 1 43 ASP H 0.000 . 2.800 2.798 2.798 2.798 . 0 0 "[ ]" 1
433 1 42 VAL H 1 43 ASP H 0.000 . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
434 1 42 VAL MG1 1 43 ASP H 0.000 . 3.500 3.310 3.310 3.310 . 0 0 "[ ]" 1
435 1 42 VAL MG2 1 43 ASP H 0.000 . 3.500 3.264 3.264 3.264 . 0 0 "[ ]" 1
436 1 43 ASP H 1 43 ASP HB2 0.000 . 2.800 2.376 2.376 2.376 . 0 0 "[ ]" 1
437 1 34 TYR HA 1 43 ASP HB3 0.000 . 5.500 4.721 4.721 4.721 . 0 0 "[ ]" 1
438 1 34 TYR HA 1 43 ASP HB2 0.000 . 5.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
439 1 35 ILE HB 1 44 THR HA 0.000 . 5.500 5.557 5.557 5.557 0.057 1 0 "[ ]" 1
440 1 35 ILE H 1 44 THR HA 0.000 . 5.500 5.509 5.509 5.509 0.009 1 0 "[ ]" 1
441 1 35 ILE HG12 1 44 THR HA 0.000 . 5.500 5.215 5.215 5.215 . 0 0 "[ ]" 1
442 1 44 THR HA 1 44 THR HB 0.000 . 2.800 2.523 2.523 2.523 . 0 0 "[ ]" 1
443 1 34 TYR HA 1 44 THR HB 0.000 . 5.500 3.848 3.848 3.848 . 0 0 "[ ]" 1
444 1 35 ILE HB 1 44 THR HB 0.000 . 5.500 4.185 4.185 4.185 . 0 0 "[ ]" 1
445 1 35 ILE H 1 44 THR HB 0.000 . 5.500 4.588 4.588 4.588 . 0 0 "[ ]" 1
446 1 35 ILE HG12 1 44 THR HB 0.000 . 5.500 4.902 4.902 4.902 . 0 0 "[ ]" 1
447 1 34 TYR HA 1 44 THR H 0.000 . 2.800 2.767 2.767 2.767 . 0 0 "[ ]" 1
448 1 34 TYR H 1 44 THR H 0.000 . 5.500 4.999 4.999 4.999 . 0 0 "[ ]" 1
449 1 34 TYR QD 1 44 THR H 0.000 . 5.500 4.729 4.729 4.729 . 0 0 "[ ]" 1
450 1 35 ILE H 1 44 THR H 0.000 . 5.500 4.791 4.791 4.791 . 0 0 "[ ]" 1
451 1 43 ASP HA 1 44 THR H 0.000 . 2.800 2.348 2.348 2.348 . 0 0 "[ ]" 1
452 1 43 ASP H 1 44 THR H 0.000 . 5.500 4.629 4.629 4.629 . 0 0 "[ ]" 1
453 1 43 ASP HB3 1 44 THR H 0.000 . 3.500 3.354 3.354 3.354 . 0 0 "[ ]" 1
454 1 43 ASP HB2 1 44 THR H 0.000 . 5.500 4.155 4.155 4.155 . 0 0 "[ ]" 1
455 1 44 THR H 1 44 THR HB 0.000 . 2.800 2.763 2.763 2.763 . 0 0 "[ ]" 1
456 1 44 THR H 1 44 THR MG 0.000 . 2.800 1.968 1.968 1.968 . 0 0 "[ ]" 1
457 1 33 GLY H 1 44 THR MG 0.000 . 5.500 4.653 4.653 4.653 . 0 0 "[ ]" 1
458 1 33 GLY HA2 1 44 THR MG 0.000 . 5.500 3.419 3.419 3.419 . 0 0 "[ ]" 1
459 1 34 TYR H 1 44 THR MG 0.000 . 5.500 4.707 4.707 4.707 . 0 0 "[ ]" 1
460 1 44 THR HA 1 45 ASP HA 0.000 . 5.500 4.437 4.437 4.437 . 0 0 "[ ]" 1
461 1 44 THR MG 1 45 ASP HA 0.000 . 5.500 3.835 3.835 3.835 . 0 0 "[ ]" 1
462 1 44 THR HA 1 45 ASP H 0.000 . 5.500 2.647 2.647 2.647 . 0 0 "[ ]" 1
463 1 44 THR MG 1 45 ASP H 0.000 . 5.500 2.815 2.815 2.815 . 0 0 "[ ]" 1
464 1 44 THR HA 1 45 ASP HB2 0.000 . 5.500 4.646 4.646 4.646 . 0 0 "[ ]" 1
465 1 46 GLU HA 1 46 GLU HB3 0.000 . 2.800 2.649 2.649 2.649 . 0 0 "[ ]" 1
466 1 46 GLU HA 1 46 GLU HG2 0.000 . 3.500 3.459 3.459 3.459 . 0 0 "[ ]" 1
467 1 44 THR MG 1 46 GLU H 0.000 . 3.500 3.317 3.317 3.317 . 0 0 "[ ]" 1
468 1 45 ASP HA 1 46 GLU H 0.000 . 2.800 2.264 2.264 2.264 . 0 0 "[ ]" 1
469 1 45 ASP HB3 1 46 GLU H 0.000 . 5.500 4.493 4.493 4.493 . 0 0 "[ ]" 1
470 1 45 ASP HB2 1 46 GLU H 0.000 . 5.500 4.535 4.535 4.535 . 0 0 "[ ]" 1
471 1 46 GLU H 1 46 GLU HA 0.000 . 2.800 2.869 2.869 2.869 0.069 1 0 "[ ]" 1
472 1 46 GLU H 1 46 GLU HB3 0.000 . 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
473 1 46 GLU H 1 46 GLU HB2 0.000 . 2.800 2.202 2.202 2.202 . 0 0 "[ ]" 1
474 1 46 GLU H 1 46 GLU HG3 0.000 . 5.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
475 1 46 GLU H 1 46 GLU HG2 0.000 . 5.500 4.112 4.112 4.112 . 0 0 "[ ]" 1
476 1 44 THR MG 1 46 GLU HG2 0.000 . 5.500 4.095 4.095 4.095 . 0 0 "[ ]" 1
477 1 46 GLU H 1 47 CYS HA 0.000 . 5.500 5.224 5.224 5.224 . 0 0 "[ ]" 1
478 1 44 THR MG 1 47 CYS H 0.000 . 5.500 5.269 5.269 5.269 . 0 0 "[ ]" 1
479 1 45 ASP HA 1 47 CYS H 0.000 . 3.500 3.522 3.522 3.522 0.022 1 0 "[ ]" 1
480 1 45 ASP HB3 1 47 CYS H 0.000 . 5.500 4.901 4.901 4.901 . 0 0 "[ ]" 1
481 1 45 ASP HB2 1 47 CYS H 0.000 . 5.500 5.050 5.050 5.050 . 0 0 "[ ]" 1
482 1 46 GLU HA 1 47 CYS H 0.000 . 3.500 3.519 3.519 3.519 0.019 1 0 "[ ]" 1
483 1 46 GLU H 1 47 CYS H 0.000 . 2.800 2.568 2.568 2.568 . 0 0 "[ ]" 1
484 1 46 GLU HB2 1 47 CYS H 0.000 . 3.500 2.941 2.941 2.941 . 0 0 "[ ]" 1
485 1 46 GLU HG3 1 47 CYS H 0.000 . 5.500 4.992 4.992 4.992 . 0 0 "[ ]" 1
486 1 46 GLU HG2 1 47 CYS H 0.000 . 5.500 5.334 5.334 5.334 . 0 0 "[ ]" 1
487 1 47 CYS H 1 47 CYS HA 0.000 . 2.800 2.859 2.859 2.859 0.059 1 0 "[ ]" 1
488 1 47 CYS H 1 47 CYS HB3 0.000 . 2.800 2.188 2.188 2.188 . 0 0 "[ ]" 1
489 1 47 CYS H 1 47 CYS HB2 0.000 . 2.800 2.886 2.886 2.886 0.086 1 0 "[ ]" 1
490 1 46 GLU H 1 47 CYS HB3 0.000 . 5.500 4.471 4.471 4.471 . 0 0 "[ ]" 1
491 1 48 SER HA 1 48 SER HB3 0.000 . 2.800 2.867 2.867 2.867 0.067 1 0 "[ ]" 1
492 1 48 SER HA 1 48 SER HB2 0.000 . 2.800 2.828 2.828 2.828 0.028 1 0 "[ ]" 1
493 1 45 ASP HB3 1 48 SER H 0.000 . 5.500 3.688 3.688 3.688 . 0 0 "[ ]" 1
494 1 45 ASP HB2 1 48 SER H 0.000 . 5.500 4.639 4.639 4.639 . 0 0 "[ ]" 1
495 1 46 GLU HA 1 48 SER H 0.000 . 5.500 3.461 3.461 3.461 . 0 0 "[ ]" 1
496 1 46 GLU H 1 48 SER H 0.000 . 5.500 3.938 3.938 3.938 . 0 0 "[ ]" 1
497 1 46 GLU HB3 1 48 SER H 0.000 . 5.500 4.842 4.842 4.842 . 0 0 "[ ]" 1
498 1 46 GLU HB2 1 48 SER H 0.000 . 5.500 4.835 4.835 4.835 . 0 0 "[ ]" 1
499 1 47 CYS H 1 48 SER H 0.000 . 2.800 2.607 2.607 2.607 . 0 0 "[ ]" 1
500 1 47 CYS HB3 1 48 SER H 0.000 . 3.500 3.386 3.386 3.386 . 0 0 "[ ]" 1
501 1 47 CYS HB2 1 48 SER H 0.000 . 5.500 4.405 4.405 4.405 . 0 0 "[ ]" 1
502 1 48 SER H 1 48 SER QB 0.000 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
503 1 47 CYS H 1 48 SER QB 0.000 . 5.500 4.263 4.263 4.263 . 0 0 "[ ]" 1
504 1 48 SER H 1 49 VAL HA 0.000 . 5.500 5.153 5.153 5.153 . 0 0 "[ ]" 1
505 1 49 VAL HA 1 49 VAL MG1 0.000 . 2.800 2.358 2.358 2.358 . 0 0 "[ ]" 1
506 1 46 GLU HA 1 49 VAL HB 0.000 . 5.500 4.655 4.655 4.655 . 0 0 "[ ]" 1
507 1 46 GLU HA 1 49 VAL H 0.000 . 5.500 3.952 3.952 3.952 . 0 0 "[ ]" 1
508 1 47 CYS H 1 49 VAL H 0.000 . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
509 1 47 CYS HB3 1 49 VAL H 0.000 . 5.500 5.138 5.138 5.138 . 0 0 "[ ]" 1
510 1 48 SER HA 1 49 VAL H 0.000 . 3.500 3.379 3.379 3.379 . 0 0 "[ ]" 1
511 1 48 SER H 1 49 VAL H 0.000 . 2.800 2.554 2.554 2.554 . 0 0 "[ ]" 1
512 1 48 SER QB 1 49 VAL H 0.000 . 3.500 3.235 3.235 3.235 . 0 0 "[ ]" 1
513 1 49 VAL H 1 49 VAL HB 0.000 . 2.800 2.581 2.581 2.581 . 0 0 "[ ]" 1
514 1 49 VAL H 1 49 VAL QG 0.000 . 2.800 2.142 2.142 2.142 . 0 0 "[ ]" 1
515 1 48 SER H 1 49 VAL QG 0.000 . 3.500 3.479 3.479 3.479 . 0 0 "[ ]" 1
516 1 48 SER HB3 1 49 VAL MG1 0.000 . 5.500 5.411 5.411 5.411 . 0 0 "[ ]" 1
517 1 48 SER HB3 1 49 VAL MG2 0.000 . 5.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
518 1 49 VAL HA 1 50 GLY H 0.000 . 3.500 3.558 3.558 3.558 0.058 1 0 "[ ]" 1
519 1 49 VAL HB 1 50 GLY H 0.000 . 2.800 1.862 1.862 1.862 . 0 0 "[ ]" 1
520 1 49 VAL H 1 50 GLY H 0.000 . 2.800 2.804 2.804 2.804 0.004 1 0 "[ ]" 1
521 1 49 VAL QG 1 50 GLY H 0.000 . 2.800 2.793 2.793 2.793 . 0 0 "[ ]" 1
522 1 50 GLY H 1 50 GLY QA 0.000 . 2.800 2.525 2.525 2.525 . 0 0 "[ ]" 1
523 1 49 VAL MG1 1 50 GLY HA2 0.000 . 5.500 4.245 4.245 4.245 . 0 0 "[ ]" 1
524 1 51 ASN HA 1 51 ASN HB3 0.000 . 2.800 2.491 2.491 2.491 . 0 0 "[ ]" 1
525 1 51 ASN HB3 1 51 ASN HD21 0.000 . 3.500 3.201 3.201 3.201 . 0 0 "[ ]" 1
526 1 51 ASN HB2 1 51 ASN HD21 0.000 . 3.500 2.259 2.259 2.259 . 0 0 "[ ]" 1
527 1 51 ASN HA 1 51 ASN HD22 0.000 . 5.500 5.282 5.282 5.282 . 0 0 "[ ]" 1
528 1 51 ASN HB2 1 51 ASN HD22 0.000 . 3.500 3.514 3.514 3.514 0.014 1 0 "[ ]" 1
529 1 52 PRO HA 1 52 PRO HB3 0.000 . 2.800 2.271 2.271 2.271 . 0 0 "[ ]" 1
530 1 51 ASN HD21 1 52 PRO QD 0.000 . 5.500 5.297 5.297 5.297 . 0 0 "[ ]" 1
531 1 51 ASN HA 1 52 PRO HD2 0.000 . 2.800 1.987 1.987 1.987 . 0 0 "[ ]" 1
532 1 51 ASN HB3 1 52 PRO HD2 0.000 . 5.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
533 1 51 ASN HB2 1 52 PRO HD2 0.000 . 5.500 3.702 3.702 3.702 . 0 0 "[ ]" 1
534 1 47 CYS H 1 52 PRO HG3 0.000 . 5.500 5.168 5.168 5.168 . 0 0 "[ ]" 1
535 1 51 ASN HA 1 52 PRO HG3 0.000 . 5.500 4.337 4.337 4.337 . 0 0 "[ ]" 1
536 1 51 ASN HA 1 53 CYS H 0.000 . 3.500 3.384 3.384 3.384 . 0 0 "[ ]" 1
537 1 51 ASN HD21 1 53 CYS H 0.000 . 5.500 4.337 4.337 4.337 . 0 0 "[ ]" 1
538 1 51 ASN HD22 1 53 CYS H 0.000 . 5.500 5.400 5.400 5.400 . 0 0 "[ ]" 1
539 1 52 PRO HA 1 53 CYS H 0.000 . 3.500 3.500 3.500 3.500 0.000 1 0 "[ ]" 1
540 1 52 PRO HB3 1 53 CYS H 0.000 . 5.500 4.303 4.303 4.303 . 0 0 "[ ]" 1
541 1 52 PRO HB2 1 53 CYS H 0.000 . 5.500 3.262 3.262 3.262 . 0 0 "[ ]" 1
542 1 52 PRO HD3 1 53 CYS H 0.000 . 5.500 3.902 3.902 3.902 . 0 0 "[ ]" 1
543 1 52 PRO HD2 1 53 CYS H 0.000 . 2.800 2.687 2.687 2.687 . 0 0 "[ ]" 1
544 1 52 PRO HG3 1 53 CYS H 0.000 . 5.500 4.502 4.502 4.502 . 0 0 "[ ]" 1
545 1 52 PRO HG2 1 53 CYS H 0.000 . 3.500 3.503 3.503 3.503 0.003 1 0 "[ ]" 1
546 1 53 CYS H 1 53 CYS HB2 0.000 . 2.800 2.105 2.105 2.105 . 0 0 "[ ]" 1
547 1 53 CYS H 1 54 GLY HA2 0.000 . 5.500 5.127 5.127 5.127 . 0 0 "[ ]" 1
548 1 53 CYS H 1 54 GLY H 0.000 . 2.800 2.727 2.727 2.727 . 0 0 "[ ]" 1
549 1 53 CYS HB2 1 54 GLY H 0.000 . 5.500 3.608 3.608 3.608 . 0 0 "[ ]" 1
550 1 55 ASN HA 1 55 ASN HB3 0.000 . 2.800 2.863 2.863 2.863 0.063 1 0 "[ ]" 1
551 1 55 ASN HA 1 55 ASN HB2 0.000 . 2.800 2.831 2.831 2.831 0.031 1 0 "[ ]" 1
552 1 53 CYS H 1 55 ASN H 0.000 . 5.500 4.429 4.429 4.429 . 0 0 "[ ]" 1
553 1 54 GLY H 1 55 ASN H 0.000 . 5.500 2.911 2.911 2.911 . 0 0 "[ ]" 1
554 1 54 GLY HA3 1 55 ASN H 0.000 . 3.500 2.922 2.922 2.922 . 0 0 "[ ]" 1
555 1 54 GLY HA2 1 55 ASN H 0.000 . 3.500 3.530 3.530 3.530 0.030 1 0 "[ ]" 1
556 1 55 ASN H 1 55 ASN HB3 0.000 . 3.500 3.484 3.484 3.484 . 0 0 "[ ]" 1
557 1 51 ASN HD21 1 56 GLY H 0.000 . 5.500 3.119 3.119 3.119 . 0 0 "[ ]" 1
558 1 51 ASN HD22 1 56 GLY H 0.000 . 5.500 4.331 4.331 4.331 . 0 0 "[ ]" 1
559 1 53 CYS HB3 1 56 GLY H 0.000 . 3.500 2.246 2.246 2.246 . 0 0 "[ ]" 1
560 1 53 CYS HB2 1 56 GLY H 0.000 . 3.500 3.532 3.532 3.532 0.032 1 0 "[ ]" 1
561 1 54 GLY H 1 56 GLY H 0.000 . 5.500 4.417 4.417 4.417 . 0 0 "[ ]" 1
562 1 54 GLY HA3 1 56 GLY H 0.000 . 5.500 4.648 4.648 4.648 . 0 0 "[ ]" 1
563 1 55 ASN H 1 56 GLY H 0.000 . 5.500 1.868 1.868 1.868 . 0 0 "[ ]" 1
564 1 55 ASN HB2 1 56 GLY H 0.000 . 3.500 3.301 3.301 3.301 . 0 0 "[ ]" 1
565 1 56 GLY H 1 56 GLY HA2 0.000 . 2.800 2.830 2.830 2.830 0.030 1 0 "[ ]" 1
566 1 53 CYS HB3 1 56 GLY HA3 0.000 . 5.500 2.986 2.986 2.986 . 0 0 "[ ]" 1
567 1 53 CYS HB2 1 56 GLY HA3 0.000 . 5.500 3.492 3.492 3.492 . 0 0 "[ ]" 1
568 1 51 ASN HD21 1 57 THR HA 0.000 . 5.500 3.972 3.972 3.972 . 0 0 "[ ]" 1
569 1 51 ASN HD22 1 57 THR HA 0.000 . 5.500 5.279 5.279 5.279 . 0 0 "[ ]" 1
570 1 57 THR HA 1 57 THR HB 0.000 . 2.800 2.651 2.651 2.651 . 0 0 "[ ]" 1
571 1 57 THR HA 1 57 THR MG 0.000 . 2.800 2.201 2.201 2.201 . 0 0 "[ ]" 1
572 1 53 CYS HB3 1 57 THR H 0.000 . 5.500 3.743 3.743 3.743 . 0 0 "[ ]" 1
573 1 53 CYS HB2 1 57 THR H 0.000 . 5.500 3.094 3.094 3.094 . 0 0 "[ ]" 1
574 1 56 GLY H 1 57 THR H 0.000 . 5.500 3.973 3.973 3.973 . 0 0 "[ ]" 1
575 1 57 THR H 1 57 THR MG 0.000 . 3.500 3.407 3.407 3.407 . 0 0 "[ ]" 1
576 1 56 GLY H 1 57 THR MG 0.000 . 5.500 5.511 5.511 5.511 0.011 1 0 "[ ]" 1
577 1 53 CYS H 1 58 CYS HA 0.000 . 5.500 3.797 3.797 3.797 . 0 0 "[ ]" 1
578 1 57 THR HA 1 58 CYS HA 0.000 . 5.500 4.397 4.397 4.397 . 0 0 "[ ]" 1
579 1 57 THR MG 1 58 CYS HA 0.000 . 5.500 5.469 5.469 5.469 . 0 0 "[ ]" 1
580 1 47 CYS HB2 1 58 CYS H 0.000 . 5.500 4.765 4.765 4.765 . 0 0 "[ ]" 1
581 1 51 ASN HD21 1 58 CYS H 0.000 . 5.500 5.505 5.505 5.505 0.005 1 0 "[ ]" 1
582 1 57 THR HA 1 58 CYS H 0.000 . 2.800 2.355 2.355 2.355 . 0 0 "[ ]" 1
583 1 57 THR HB 1 58 CYS H 0.000 . 3.500 2.783 2.783 2.783 . 0 0 "[ ]" 1
584 1 57 THR H 1 58 CYS H 0.000 . 5.500 4.440 4.440 4.440 . 0 0 "[ ]" 1
585 1 57 THR MG 1 58 CYS H 0.000 . 3.500 3.387 3.387 3.387 . 0 0 "[ ]" 1
586 1 58 CYS H 1 58 CYS HB3 0.000 . 2.800 2.837 2.837 2.837 0.037 1 0 "[ ]" 1
587 1 47 CYS H 1 58 CYS HB3 0.000 . 5.500 5.540 5.540 5.540 0.040 1 0 "[ ]" 1
588 1 47 CYS HB2 1 58 CYS HB3 0.000 . 5.500 3.616 3.616 3.616 . 0 0 "[ ]" 1
589 1 53 CYS H 1 58 CYS HB2 0.000 . 5.500 5.382 5.382 5.382 . 0 0 "[ ]" 1
590 1 58 CYS H 1 59 LYS H 0.000 . 5.500 4.598 4.598 4.598 . 0 0 "[ ]" 1
591 1 58 CYS HB3 1 59 LYS H 0.000 . 5.500 3.783 3.783 3.783 . 0 0 "[ ]" 1
592 1 58 CYS HB2 1 59 LYS H 0.000 . 5.500 2.521 2.521 2.521 . 0 0 "[ ]" 1
593 1 59 LYS H 1 59 LYS QD 0.000 . 5.500 4.740 4.740 4.740 . 0 0 "[ ]" 1
594 1 59 LYS H 1 59 LYS HG3 0.000 . 5.500 4.475 4.475 4.475 . 0 0 "[ ]" 1
595 1 59 LYS H 1 59 LYS HG2 0.000 . 5.500 4.886 4.886 4.886 . 0 0 "[ ]" 1
596 1 59 LYS HG3 1 61 VAL H 0.000 . 5.500 5.405 5.405 5.405 . 0 0 "[ ]" 1
597 1 59 LYS H 1 60 ASN HA 0.000 . 5.500 4.547 4.547 4.547 . 0 0 "[ ]" 1
598 1 60 ASN HA 1 60 ASN HB2 0.000 . 2.800 2.538 2.538 2.538 . 0 0 "[ ]" 1
599 1 47 CYS H 1 60 ASN H 0.000 . 5.500 4.985 4.985 4.985 . 0 0 "[ ]" 1
600 1 59 LYS HA 1 60 ASN H 0.000 . 2.800 2.424 2.424 2.424 . 0 0 "[ ]" 1
601 1 59 LYS H 1 60 ASN H 0.000 . 5.500 4.403 4.403 4.403 . 0 0 "[ ]" 1
602 1 59 LYS QB 1 60 ASN H 0.000 . 5.500 3.435 3.435 3.435 . 0 0 "[ ]" 1
603 1 59 LYS QD 1 60 ASN H 0.000 . 5.500 3.360 3.360 3.360 . 0 0 "[ ]" 1
604 1 59 LYS HG3 1 60 ASN H 0.000 . 5.500 1.715 1.715 1.715 . 0 0 "[ ]" 1
605 1 59 LYS HG2 1 60 ASN H 0.000 . 3.500 3.337 3.337 3.337 . 0 0 "[ ]" 1
606 1 60 ASN H 1 60 ASN HB3 0.000 . 3.500 2.658 2.658 2.658 . 0 0 "[ ]" 1
607 1 60 ASN H 1 60 ASN HB2 0.000 . 2.800 2.737 2.737 2.737 . 0 0 "[ ]" 1
608 1 60 ASN H 1 60 ASN HD21 0.000 . 5.500 4.997 4.997 4.997 . 0 0 "[ ]" 1
609 1 46 GLU H 1 60 ASN HB3 0.000 . 5.500 5.514 5.514 5.514 0.014 1 0 "[ ]" 1
610 1 47 CYS H 1 60 ASN HB3 0.000 . 5.500 5.337 5.337 5.337 . 0 0 "[ ]" 1
611 1 45 ASP HB2 1 60 ASN HD21 0.000 . 5.500 3.587 3.587 3.587 . 0 0 "[ ]" 1
612 1 46 GLU H 1 60 ASN HD21 0.000 . 5.500 5.484 5.484 5.484 . 0 0 "[ ]" 1
613 1 60 ASN HB3 1 60 ASN HD21 0.000 . 3.500 2.416 2.416 2.416 . 0 0 "[ ]" 1
614 1 60 ASN HB2 1 60 ASN HD21 0.000 . 3.500 2.909 2.909 2.909 . 0 0 "[ ]" 1
615 1 44 THR MG 1 60 ASN HD22 0.000 . 5.500 5.148 5.148 5.148 . 0 0 "[ ]" 1
616 1 45 ASP HB3 1 60 ASN HD22 0.000 . 5.500 4.917 4.917 4.917 . 0 0 "[ ]" 1
617 1 60 ASN HA 1 60 ASN HD22 0.000 . 5.500 4.558 4.558 4.558 . 0 0 "[ ]" 1
618 1 60 ASN HB3 1 60 ASN HD22 0.000 . 3.500 3.564 3.564 3.564 0.064 1 0 "[ ]" 1
619 1 46 GLU H 1 60 ASN HD22 0.000 . 5.500 4.645 4.645 4.645 . 0 0 "[ ]" 1
620 1 61 VAL HA 1 61 VAL MG1 0.000 . 3.500 3.135 3.135 3.135 . 0 0 "[ ]" 1
621 1 61 VAL HA 1 61 VAL MG2 0.000 . 2.800 2.000 2.000 2.000 . 0 0 "[ ]" 1
622 1 59 LYS QB 1 61 VAL H 0.000 . 5.500 5.498 5.498 5.498 . 0 0 "[ ]" 1
623 1 60 ASN HA 1 61 VAL H 0.000 . 2.800 2.206 2.206 2.206 . 0 0 "[ ]" 1
624 1 60 ASN H 1 61 VAL H 0.000 . 5.500 4.541 4.541 4.541 . 0 0 "[ ]" 1
625 1 60 ASN HB3 1 61 VAL H 0.000 . 5.500 3.963 3.963 3.963 . 0 0 "[ ]" 1
626 1 60 ASN HD22 1 61 VAL H 0.000 . 5.500 4.504 4.504 4.504 . 0 0 "[ ]" 1
627 1 61 VAL H 1 61 VAL MG1 0.000 . 2.800 2.663 2.663 2.663 . 0 0 "[ ]" 1
628 1 46 GLU HB3 1 61 VAL MG1 0.000 . 5.500 5.540 5.540 5.540 0.040 1 0 "[ ]" 1
629 1 60 ASN HA 1 61 VAL MG1 0.000 . 5.500 4.321 4.321 4.321 . 0 0 "[ ]" 1
630 1 59 LYS QE 1 61 VAL MG2 0.000 . 5.500 5.032 5.032 5.032 . 0 0 "[ ]" 1
631 1 60 ASN HA 1 61 VAL MG2 0.000 . 5.500 5.224 5.224 5.224 . 0 0 "[ ]" 1
632 1 60 ASN H 1 61 VAL MG2 0.000 . 5.500 5.591 5.591 5.591 0.091 1 0 "[ ]" 1
633 1 61 VAL MG1 1 61 VAL MG2 0.000 . 2.800 1.964 1.964 1.964 . 0 0 "[ ]" 1
634 1 43 ASP H 1 62 ILE HA 0.000 . 5.500 5.297 5.297 5.297 . 0 0 "[ ]" 1
635 1 43 ASP HB3 1 62 ILE HA 0.000 . 3.500 3.201 3.201 3.201 . 0 0 "[ ]" 1
636 1 43 ASP HB2 1 62 ILE HA 0.000 . 3.500 2.953 2.953 2.953 . 0 0 "[ ]" 1
637 1 61 VAL H 1 62 ILE HA 0.000 . 5.500 4.714 4.714 4.714 . 0 0 "[ ]" 1
638 1 61 VAL MG1 1 62 ILE HA 0.000 . 5.500 3.543 3.543 3.543 . 0 0 "[ ]" 1
639 1 62 ILE HA 1 62 ILE MD 0.000 . 3.500 3.471 3.471 3.471 . 0 0 "[ ]" 1
640 1 62 ILE HA 1 62 ILE HG13 0.000 . 3.500 2.256 2.256 2.256 . 0 0 "[ ]" 1
641 1 62 ILE HA 1 62 ILE MG 0.000 . 2.800 2.446 2.446 2.446 . 0 0 "[ ]" 1
642 1 62 ILE HB 1 62 ILE MD 0.000 . 3.500 1.922 1.922 1.922 . 0 0 "[ ]" 1
643 1 61 VAL HA 1 62 ILE H 0.000 . 2.800 2.731 2.731 2.731 . 0 0 "[ ]" 1
644 1 61 VAL HB 1 62 ILE H 0.000 . 5.500 3.736 3.736 3.736 . 0 0 "[ ]" 1
645 1 61 VAL H 1 62 ILE H 0.000 . 5.500 4.360 4.360 4.360 . 0 0 "[ ]" 1
646 1 61 VAL MG1 1 62 ILE H 0.000 . 3.500 2.112 2.112 2.112 . 0 0 "[ ]" 1
647 1 62 ILE H 1 62 ILE HB 0.000 . 2.800 2.464 2.464 2.464 . 0 0 "[ ]" 1
648 1 62 ILE H 1 62 ILE HG13 0.000 . 3.500 3.290 3.290 3.290 . 0 0 "[ ]" 1
649 1 62 ILE H 1 62 ILE HG12 0.000 . 5.500 4.249 4.249 4.249 . 0 0 "[ ]" 1
650 1 43 ASP HB3 1 62 ILE MD 0.000 . 5.500 4.826 4.826 4.826 . 0 0 "[ ]" 1
651 1 43 ASP HB2 1 62 ILE MD 0.000 . 5.500 4.620 4.620 4.620 . 0 0 "[ ]" 1
652 1 61 VAL MG1 1 62 ILE HG13 0.000 . 5.500 4.625 4.625 4.625 . 0 0 "[ ]" 1
653 1 34 TYR QD 1 62 ILE MG 0.000 . 5.500 4.410 4.410 4.410 . 0 0 "[ ]" 1
654 1 34 TYR QE 1 62 ILE MG 0.000 . 3.500 2.768 2.768 2.768 . 0 0 "[ ]" 1
655 1 43 ASP HB2 1 62 ILE MG 0.000 . 3.500 3.031 3.031 3.031 . 0 0 "[ ]" 1
656 1 61 VAL MG1 1 62 ILE MG 0.000 . 5.500 4.323 4.323 4.323 . 0 0 "[ ]" 1
657 1 33 GLY HA2 1 63 GLY H 0.000 . 5.500 5.535 5.535 5.535 0.035 1 0 "[ ]" 1
658 1 34 TYR QD 1 63 GLY H 0.000 . 5.500 4.136 4.136 4.136 . 0 0 "[ ]" 1
659 1 34 TYR QE 1 63 GLY H 0.000 . 5.500 2.697 2.697 2.697 . 0 0 "[ ]" 1
660 1 43 ASP HA 1 63 GLY H 0.000 . 5.500 4.441 4.441 4.441 . 0 0 "[ ]" 1
661 1 43 ASP HB3 1 63 GLY H 0.000 . 5.500 4.358 4.358 4.358 . 0 0 "[ ]" 1
662 1 43 ASP HB2 1 63 GLY H 0.000 . 5.500 3.691 3.691 3.691 . 0 0 "[ ]" 1
663 1 44 THR H 1 63 GLY H 0.000 . 5.500 5.127 5.127 5.127 . 0 0 "[ ]" 1
664 1 61 VAL MG1 1 63 GLY H 0.000 . 5.500 4.213 4.213 4.213 . 0 0 "[ ]" 1
665 1 62 ILE HA 1 63 GLY H 0.000 . 2.800 2.246 2.246 2.246 . 0 0 "[ ]" 1
666 1 62 ILE HB 1 63 GLY H 0.000 . 5.500 4.093 4.093 4.093 . 0 0 "[ ]" 1
667 1 62 ILE H 1 63 GLY H 0.000 . 5.500 4.553 4.553 4.553 . 0 0 "[ ]" 1
668 1 62 ILE HG13 1 63 GLY H 0.000 . 5.500 4.285 4.285 4.285 . 0 0 "[ ]" 1
669 1 62 ILE HG12 1 63 GLY H 0.000 . 5.500 4.795 4.795 4.795 . 0 0 "[ ]" 1
670 1 62 ILE MG 1 63 GLY H 0.000 . 2.800 2.088 2.088 2.088 . 0 0 "[ ]" 1
671 1 63 GLY H 1 63 GLY HA3 0.000 . 2.800 2.870 2.870 2.870 0.070 1 0 "[ ]" 1
672 1 63 GLY H 1 63 GLY HA2 0.000 . 2.800 2.340 2.340 2.340 . 0 0 "[ ]" 1
673 1 34 TYR QD 1 63 GLY HA3 0.000 . 5.500 5.381 5.381 5.381 . 0 0 "[ ]" 1
674 1 34 TYR QE 1 63 GLY HA3 0.000 . 3.500 3.528 3.528 3.528 0.028 1 0 "[ ]" 1
675 1 34 TYR QD 1 63 GLY HA2 0.000 . 5.500 3.840 3.840 3.840 . 0 0 "[ ]" 1
676 1 34 TYR QE 1 63 GLY HA2 0.000 . 3.500 2.505 2.505 2.505 . 0 0 "[ ]" 1
677 1 34 TYR QE 1 64 GLY H 0.000 . 5.500 4.876 4.876 4.876 . 0 0 "[ ]" 1
678 1 43 ASP HB2 1 64 GLY H 0.000 . 5.500 5.512 5.512 5.512 0.012 1 0 "[ ]" 1
679 1 61 VAL HB 1 64 GLY H 0.000 . 5.500 5.522 5.522 5.522 0.022 1 0 "[ ]" 1
680 1 61 VAL H 1 64 GLY H 0.000 . 5.500 4.641 4.641 4.641 . 0 0 "[ ]" 1
681 1 61 VAL MG1 1 64 GLY H 0.000 . 2.800 2.711 2.711 2.711 . 0 0 "[ ]" 1
682 1 61 VAL MG2 1 64 GLY H 0.000 . 5.500 4.960 4.960 4.960 . 0 0 "[ ]" 1
683 1 62 ILE HA 1 64 GLY H 0.000 . 3.500 3.282 3.282 3.282 . 0 0 "[ ]" 1
684 1 62 ILE HB 1 64 GLY H 0.000 . 5.500 5.127 5.127 5.127 . 0 0 "[ ]" 1
685 1 62 ILE H 1 64 GLY H 0.000 . 5.500 4.317 4.317 4.317 . 0 0 "[ ]" 1
686 1 62 ILE HG13 1 64 GLY H 0.000 . 5.500 5.471 5.471 5.471 . 0 0 "[ ]" 1
687 1 62 ILE MG 1 64 GLY H 0.000 . 5.500 4.104 4.104 4.104 . 0 0 "[ ]" 1
688 1 63 GLY H 1 64 GLY H 0.000 . 2.800 2.601 2.601 2.601 . 0 0 "[ ]" 1
689 1 63 GLY HA3 1 64 GLY H 0.000 . 3.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
690 1 63 GLY HA2 1 64 GLY H 0.000 . 3.500 3.171 3.171 3.171 . 0 0 "[ ]" 1
691 1 64 GLY H 1 64 GLY QA 0.000 . 2.800 2.522 2.522 2.522 . 0 0 "[ ]" 1
692 1 61 VAL H 1 64 GLY QA 0.000 . 5.500 5.182 5.182 5.182 . 0 0 "[ ]" 1
693 1 61 VAL MG1 1 64 GLY QA 0.000 . 3.500 3.011 3.011 3.011 . 0 0 "[ ]" 1
694 1 61 VAL MG2 1 64 GLY QA 0.000 . 5.500 5.206 5.206 5.206 . 0 0 "[ ]" 1
695 1 46 GLU HB2 1 65 PHE HA 0.000 . 5.500 3.620 3.620 3.620 . 0 0 "[ ]" 1
696 1 47 CYS H 1 65 PHE HA 0.000 . 5.500 4.919 4.919 4.919 . 0 0 "[ ]" 1
697 1 59 LYS H 1 65 PHE HA 0.000 . 5.500 5.126 5.126 5.126 . 0 0 "[ ]" 1
698 1 60 ASN HA 1 65 PHE HA 0.000 . 3.500 3.226 3.226 3.226 . 0 0 "[ ]" 1
699 1 60 ASN H 1 65 PHE HA 0.000 . 5.500 5.286 5.286 5.286 . 0 0 "[ ]" 1
700 1 61 VAL H 1 65 PHE HA 0.000 . 2.800 2.216 2.216 2.216 . 0 0 "[ ]" 1
701 1 61 VAL MG1 1 65 PHE HA 0.000 . 2.800 1.927 1.927 1.927 . 0 0 "[ ]" 1
702 1 61 VAL MG2 1 65 PHE HA 0.000 . 5.500 3.812 3.812 3.812 . 0 0 "[ ]" 1
703 1 64 GLY H 1 65 PHE HA 0.000 . 5.500 4.439 4.439 4.439 . 0 0 "[ ]" 1
704 1 65 PHE HA 1 65 PHE HB3 0.000 . 2.800 2.342 2.342 2.342 . 0 0 "[ ]" 1
705 1 61 VAL HB 1 65 PHE H 0.000 . 5.500 4.186 4.186 4.186 . 0 0 "[ ]" 1
706 1 61 VAL H 1 65 PHE H 0.000 . 5.500 4.848 4.848 4.848 . 0 0 "[ ]" 1
707 1 61 VAL MG1 1 65 PHE H 0.000 . 2.800 2.186 2.186 2.186 . 0 0 "[ ]" 1
708 1 61 VAL MG2 1 65 PHE H 0.000 . 5.500 4.595 4.595 4.595 . 0 0 "[ ]" 1
709 1 64 GLY H 1 65 PHE H 0.000 . 5.500 4.001 4.001 4.001 . 0 0 "[ ]" 1
710 1 64 GLY QA 1 65 PHE H 0.000 . 2.800 2.155 2.155 2.155 . 0 0 "[ ]" 1
711 1 65 PHE H 1 65 PHE QD 0.000 . 3.500 3.147 3.147 3.147 . 0 0 "[ ]" 1
712 1 52 PRO HB3 1 65 PHE HZ 0.000 . 5.500 3.233 3.233 3.233 . 0 0 "[ ]" 1
713 1 52 PRO HB2 1 65 PHE HZ 0.000 . 5.500 3.821 3.821 3.821 . 0 0 "[ ]" 1
714 1 59 LYS H 1 65 PHE QB 0.000 . 5.500 3.007 3.007 3.007 . 0 0 "[ ]" 1
715 1 46 GLU HB3 1 65 PHE HB3 0.000 . 5.500 2.672 2.672 2.672 . 0 0 "[ ]" 1
716 1 46 GLU HB2 1 65 PHE HB3 0.000 . 5.500 1.580 1.580 1.580 . 0 0 "[ ]" 1
717 1 48 SER H 1 65 PHE HB3 0.000 . 5.500 5.550 5.550 5.550 0.050 1 0 "[ ]" 1
718 1 61 VAL MG1 1 65 PHE HB3 0.000 . 5.500 3.637 3.637 3.637 . 0 0 "[ ]" 1
719 1 64 GLY H 1 65 PHE HB3 0.000 . 5.500 5.248 5.248 5.248 . 0 0 "[ ]" 1
720 1 46 GLU H 1 65 PHE HB2 0.000 . 5.500 4.699 4.699 4.699 . 0 0 "[ ]" 1
721 1 46 GLU HB2 1 65 PHE HB2 0.000 . 5.500 3.217 3.217 3.217 . 0 0 "[ ]" 1
722 1 47 CYS H 1 65 PHE HB2 0.000 . 5.500 3.742 3.742 3.742 . 0 0 "[ ]" 1
723 1 60 ASN HA 1 65 PHE HB2 0.000 . 5.500 3.549 3.549 3.549 . 0 0 "[ ]" 1
724 1 61 VAL H 1 65 PHE HB2 0.000 . 5.500 4.098 4.098 4.098 . 0 0 "[ ]" 1
725 1 61 VAL MG1 1 65 PHE HB2 0.000 . 5.500 3.967 3.967 3.967 . 0 0 "[ ]" 1
726 1 44 THR MG 1 65 PHE QD 0.000 . 5.500 5.028 5.028 5.028 . 0 0 "[ ]" 1
727 1 46 GLU HA 1 65 PHE QD 0.000 . 5.500 4.335 4.335 4.335 . 0 0 "[ ]" 1
728 1 46 GLU H 1 65 PHE QD 0.000 . 5.500 4.159 4.159 4.159 . 0 0 "[ ]" 1
729 1 46 GLU HB3 1 65 PHE QD 0.000 . 3.500 2.314 2.314 2.314 . 0 0 "[ ]" 1
730 1 46 GLU HB2 1 65 PHE QD 0.000 . 3.500 2.169 2.169 2.169 . 0 0 "[ ]" 1
731 1 46 GLU HG2 1 65 PHE QD 0.000 . 3.500 1.776 1.776 1.776 . 0 0 "[ ]" 1
732 1 47 CYS H 1 65 PHE QD 0.000 . 5.500 4.670 4.670 4.670 . 0 0 "[ ]" 1
733 1 52 PRO HB3 1 65 PHE QD 0.000 . 5.500 3.886 3.886 3.886 . 0 0 "[ ]" 1
734 1 52 PRO HB2 1 65 PHE QD 0.000 . 5.500 3.288 3.288 3.288 . 0 0 "[ ]" 1
735 1 52 PRO HG3 1 65 PHE QD 0.000 . 5.500 2.854 2.854 2.854 . 0 0 "[ ]" 1
736 1 58 CYS HA 1 65 PHE QD 0.000 . 5.500 4.417 4.417 4.417 . 0 0 "[ ]" 1
737 1 59 LYS H 1 65 PHE QD 0.000 . 5.500 3.802 3.802 3.802 . 0 0 "[ ]" 1
738 1 60 ASN HA 1 65 PHE QD 0.000 . 5.500 5.063 5.063 5.063 . 0 0 "[ ]" 1
739 1 61 VAL H 1 65 PHE QD 0.000 . 5.500 4.789 4.789 4.789 . 0 0 "[ ]" 1
740 1 61 VAL MG1 1 65 PHE QD 0.000 . 5.500 3.869 3.869 3.869 . 0 0 "[ ]" 1
741 1 64 GLY H 1 65 PHE QD 0.000 . 5.500 4.385 4.385 4.385 . 0 0 "[ ]" 1
742 1 64 GLY QA 1 65 PHE QD 0.000 . 3.500 2.526 2.526 2.526 . 0 0 "[ ]" 1
743 1 65 PHE HA 1 65 PHE QD 0.000 . 3.500 3.591 3.591 3.591 0.091 1 0 "[ ]" 1
744 1 65 PHE HB3 1 65 PHE QD 0.000 . 2.800 2.449 2.449 2.449 . 0 0 "[ ]" 1
745 1 65 PHE HB2 1 65 PHE QD 0.000 . 2.800 2.369 2.369 2.369 . 0 0 "[ ]" 1
746 1 46 GLU HA 1 65 PHE QE 0.000 . 5.500 5.383 5.383 5.383 . 0 0 "[ ]" 1
747 1 46 GLU HG3 1 65 PHE QE 0.000 . 5.500 4.009 4.009 4.009 . 0 0 "[ ]" 1
748 1 46 GLU HG2 1 65 PHE QE 0.000 . 5.500 2.564 2.564 2.564 . 0 0 "[ ]" 1
749 1 52 PRO HB3 1 65 PHE QE 0.000 . 3.500 2.363 2.363 2.363 . 0 0 "[ ]" 1
750 1 52 PRO HB2 1 65 PHE QE 0.000 . 5.500 1.792 1.792 1.792 . 0 0 "[ ]" 1
751 1 52 PRO HG3 1 65 PHE QE 0.000 . 5.500 3.019 3.019 3.019 . 0 0 "[ ]" 1
752 1 53 CYS HA 1 65 PHE QE 0.000 . 5.500 5.347 5.347 5.347 . 0 0 "[ ]" 1
753 1 53 CYS H 1 65 PHE QE 0.000 . 5.500 4.871 4.871 4.871 . 0 0 "[ ]" 1
754 1 61 VAL MG1 1 66 GLU HA 0.000 . 5.500 3.948 3.948 3.948 . 0 0 "[ ]" 1
755 1 65 PHE QD 1 66 GLU HA 0.000 . 5.500 3.933 3.933 3.933 . 0 0 "[ ]" 1
756 1 66 GLU HA 1 66 GLU HB2 0.000 . 2.800 2.725 2.725 2.725 . 0 0 "[ ]" 1
757 1 66 GLU HA 1 66 GLU QG 0.000 . 2.800 1.945 1.945 1.945 . 0 0 "[ ]" 1
758 1 52 PRO QD 1 66 GLU H 0.000 . 5.500 5.541 5.541 5.541 0.041 1 0 "[ ]" 1
759 1 58 CYS HA 1 66 GLU H 0.000 . 5.500 5.079 5.079 5.079 . 0 0 "[ ]" 1
760 1 59 LYS HG3 1 66 GLU H 0.000 . 5.500 4.125 4.125 4.125 . 0 0 "[ ]" 1
761 1 59 LYS HG2 1 66 GLU H 0.000 . 5.500 3.913 3.913 3.913 . 0 0 "[ ]" 1
762 1 60 ASN HA 1 66 GLU H 0.000 . 3.500 3.577 3.577 3.577 0.077 1 0 "[ ]" 1
763 1 61 VAL H 1 66 GLU H 0.000 . 5.500 3.940 3.940 3.940 . 0 0 "[ ]" 1
764 1 61 VAL MG1 1 66 GLU H 0.000 . 3.500 3.575 3.575 3.575 0.075 1 0 "[ ]" 1
765 1 61 VAL MG2 1 66 GLU H 0.000 . 5.500 4.317 4.317 4.317 . 0 0 "[ ]" 1
766 1 65 PHE HA 1 66 GLU H 0.000 . 2.800 2.569 2.569 2.569 . 0 0 "[ ]" 1
767 1 65 PHE H 1 66 GLU H 0.000 . 5.500 4.375 4.375 4.375 . 0 0 "[ ]" 1
768 1 65 PHE HB3 1 66 GLU H 0.000 . 3.500 3.396 3.396 3.396 . 0 0 "[ ]" 1
769 1 65 PHE HB2 1 66 GLU H 0.000 . 3.500 2.121 2.121 2.121 . 0 0 "[ ]" 1
770 1 65 PHE QD 1 66 GLU H 0.000 . 3.500 3.516 3.516 3.516 0.016 1 0 "[ ]" 1
771 1 66 GLU H 1 66 GLU HB3 0.000 . 3.500 3.088 3.088 3.088 . 0 0 "[ ]" 1
772 1 66 GLU H 1 66 GLU HB2 0.000 . 3.500 2.724 2.724 2.724 . 0 0 "[ ]" 1
773 1 61 VAL MG1 1 66 GLU HB3 0.000 . 5.500 5.106 5.106 5.106 . 0 0 "[ ]" 1
774 1 65 PHE HA 1 66 GLU HB3 0.000 . 5.500 5.256 5.256 5.256 . 0 0 "[ ]" 1
775 1 59 LYS H 1 66 GLU HB2 0.000 . 5.500 5.097 5.097 5.097 . 0 0 "[ ]" 1
776 1 61 VAL MG1 1 66 GLU HB2 0.000 . 5.500 3.755 3.755 3.755 . 0 0 "[ ]" 1
777 1 59 LYS H 1 66 GLU QG 0.000 . 5.500 5.563 5.563 5.563 0.063 1 0 "[ ]" 1
778 1 57 THR H 1 67 CYS HA 0.000 . 5.500 4.131 4.131 4.131 . 0 0 "[ ]" 1
779 1 58 CYS HA 1 67 CYS HA 0.000 . 2.800 2.836 2.836 2.836 0.036 1 0 "[ ]" 1
780 1 58 CYS H 1 67 CYS HA 0.000 . 5.500 4.896 4.896 4.896 . 0 0 "[ ]" 1
781 1 59 LYS H 1 67 CYS HA 0.000 . 3.500 3.493 3.493 3.493 . 0 0 "[ ]" 1
782 1 66 GLU HA 1 67 CYS HA 0.000 . 5.500 4.528 4.528 4.528 . 0 0 "[ ]" 1
783 1 66 GLU HA 1 67 CYS H 0.000 . 2.800 2.345 2.345 2.345 . 0 0 "[ ]" 1
784 1 66 GLU H 1 67 CYS H 0.000 . 5.500 4.494 4.494 4.494 . 0 0 "[ ]" 1
785 1 66 GLU HB3 1 67 CYS H 0.000 . 5.500 3.403 3.403 3.403 . 0 0 "[ ]" 1
786 1 66 GLU HB2 1 67 CYS H 0.000 . 5.500 4.241 4.241 4.241 . 0 0 "[ ]" 1
787 1 66 GLU QG 1 67 CYS H 0.000 . 5.500 2.496 2.496 2.496 . 0 0 "[ ]" 1
788 1 67 CYS H 1 67 CYS HB3 0.000 . 3.500 3.152 3.152 3.152 . 0 0 "[ ]" 1
789 1 59 LYS H 1 67 CYS QB 0.000 . 5.500 3.696 3.696 3.696 . 0 0 "[ ]" 1
790 1 67 CYS HA 1 68 THR HA 0.000 . 5.500 4.455 4.455 4.455 . 0 0 "[ ]" 1
791 1 56 GLY HA2 1 68 THR H 0.000 . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
792 1 57 THR H 1 68 THR H 0.000 . 3.500 2.538 2.538 2.538 . 0 0 "[ ]" 1
793 1 58 CYS HA 1 68 THR H 0.000 . 5.500 4.299 4.299 4.299 . 0 0 "[ ]" 1
794 1 59 LYS H 1 68 THR H 0.000 . 5.500 5.507 5.507 5.507 0.007 1 0 "[ ]" 1
795 1 66 GLU QB 1 68 THR H 0.000 . 5.500 5.528 5.528 5.528 0.028 1 0 "[ ]" 1
796 1 66 GLU QG 1 68 THR H 0.000 . 5.500 5.494 5.494 5.494 . 0 0 "[ ]" 1
797 1 67 CYS HA 1 68 THR H 0.000 . 2.800 2.256 2.256 2.256 . 0 0 "[ ]" 1
798 1 67 CYS H 1 68 THR H 0.000 . 5.500 4.338 4.338 4.338 . 0 0 "[ ]" 1
799 1 67 CYS HB3 1 68 THR H 0.000 . 5.500 4.247 4.247 4.247 . 0 0 "[ ]" 1
800 1 67 CYS HB2 1 68 THR H 0.000 . 3.500 3.082 3.082 3.082 . 0 0 "[ ]" 1
801 1 68 THR MG 1 70 GLU H 0.000 . 5.500 5.208 5.208 5.208 . 0 0 "[ ]" 1
802 1 56 GLY H 1 69 CYS HA 0.000 . 5.500 2.302 2.302 2.302 . 0 0 "[ ]" 1
803 1 56 GLY HA3 1 69 CYS HA 0.000 . 3.500 1.663 1.663 1.663 . 0 0 "[ ]" 1
804 1 56 GLY HA2 1 69 CYS HA 0.000 . 3.500 2.918 2.918 2.918 . 0 0 "[ ]" 1
805 1 57 THR H 1 69 CYS HA 0.000 . 3.500 3.509 3.509 3.509 0.009 1 0 "[ ]" 1
806 1 68 THR H 1 69 CYS HA 0.000 . 5.500 4.708 4.708 4.708 . 0 0 "[ ]" 1
807 1 68 THR MG 1 69 CYS HA 0.000 . 5.500 4.458 4.458 4.458 . 0 0 "[ ]" 1
808 1 68 THR HA 1 69 CYS H 0.000 . 3.500 2.309 2.309 2.309 . 0 0 "[ ]" 1
809 1 68 THR HB 1 69 CYS H 0.000 . 5.500 4.489 4.489 4.489 . 0 0 "[ ]" 1
810 1 68 THR H 1 69 CYS H 0.000 . 5.500 3.882 3.882 3.882 . 0 0 "[ ]" 1
811 1 68 THR MG 1 69 CYS H 0.000 . 3.500 3.332 3.332 3.332 . 0 0 "[ ]" 1
812 1 69 CYS H 1 69 CYS HB3 0.000 . 3.500 3.513 3.513 3.513 0.013 1 0 "[ ]" 1
813 1 70 GLU HA 1 70 GLU QG 0.000 . 2.800 2.594 2.594 2.594 . 0 0 "[ ]" 1
814 1 56 GLY HA3 1 70 GLU H 0.000 . 3.500 3.551 3.551 3.551 0.051 1 0 "[ ]" 1
815 1 56 GLY HA2 1 70 GLU H 0.000 . 3.500 3.508 3.508 3.508 0.008 1 0 "[ ]" 1
816 1 69 CYS HA 1 70 GLU H 0.000 . 2.800 2.614 2.614 2.614 . 0 0 "[ ]" 1
817 1 69 CYS H 1 70 GLU H 0.000 . 5.500 4.601 4.601 4.601 . 0 0 "[ ]" 1
818 1 69 CYS HB2 1 70 GLU H 0.000 . 3.500 3.588 3.588 3.588 0.088 1 0 "[ ]" 1
819 1 70 GLU H 1 70 GLU HB2 0.000 . 2.800 2.812 2.812 2.812 0.012 1 0 "[ ]" 1
820 1 56 GLY H 1 70 GLU HB3 0.000 . 5.500 5.527 5.527 5.527 0.027 1 0 "[ ]" 1
821 1 56 GLY H 1 70 GLU HB2 0.000 . 5.500 5.318 5.318 5.318 . 0 0 "[ ]" 1
822 1 68 THR MG 1 71 GLU HA 0.000 . 5.500 3.526 3.526 3.526 . 0 0 "[ ]" 1
823 1 71 GLU HA 1 71 GLU QB 0.000 . 2.800 2.541 2.541 2.541 . 0 0 "[ ]" 1
824 1 71 GLU HA 1 71 GLU QG 0.000 . 2.800 2.119 2.119 2.119 . 0 0 "[ ]" 1
825 1 70 GLU HA 1 71 GLU H 0.000 . 3.500 2.205 2.205 2.205 . 0 0 "[ ]" 1
826 1 70 GLU HB3 1 71 GLU H 0.000 . 5.500 4.521 4.521 4.521 . 0 0 "[ ]" 1
827 1 68 THR MG 1 72 GLY H 0.000 . 5.500 4.916 4.916 4.916 . 0 0 "[ ]" 1
828 1 71 GLU H 1 72 GLY H 5.500 3.800 5.500 4.527 4.527 4.527 . 0 0 "[ ]" 1
829 1 71 GLU QB 1 72 GLY H 0.000 . 3.500 3.443 3.443 3.443 . 0 0 "[ ]" 1
830 1 71 GLU QG 1 72 GLY H 0.000 . 3.500 3.326 3.326 3.326 . 0 0 "[ ]" 1
831 1 69 CYS HB3 1 73 PHE HA 0.000 . 5.500 5.531 5.531 5.531 0.031 1 0 "[ ]" 1
832 1 69 CYS HB2 1 73 PHE HA 0.000 . 5.500 5.541 5.541 5.541 0.041 1 0 "[ ]" 1
833 1 73 PHE HA 1 73 PHE HB3 0.000 . 2.800 2.646 2.646 2.646 . 0 0 "[ ]" 1
834 1 68 THR MG 1 73 PHE H 0.000 . 5.500 5.152 5.152 5.152 . 0 0 "[ ]" 1
835 1 69 CYS HB3 1 73 PHE H 0.000 . 5.500 4.630 4.630 4.630 . 0 0 "[ ]" 1
836 1 69 CYS HB2 1 73 PHE H 0.000 . 5.500 4.692 4.692 4.692 . 0 0 "[ ]" 1
837 1 71 GLU QB 1 73 PHE H 0.000 . 5.500 4.894 4.894 4.894 . 0 0 "[ ]" 1
838 1 71 GLU QG 1 73 PHE H 0.000 . 5.500 4.807 4.807 4.807 . 0 0 "[ ]" 1
839 1 72 GLY H 1 73 PHE H 0.000 . 3.500 1.912 1.912 1.912 . 0 0 "[ ]" 1
840 1 72 GLY HA3 1 73 PHE H 0.000 . 3.500 3.327 3.327 3.327 . 0 0 "[ ]" 1
841 1 73 PHE H 1 73 PHE HB2 0.000 . 3.500 3.737 3.737 3.737 0.237 1 0 "[ ]" 1
842 1 73 PHE H 1 73 PHE QD 0.000 . 3.500 1.876 1.876 1.876 . 0 0 "[ ]" 1
843 1 73 PHE H 1 73 PHE QE 0.000 . 5.500 4.144 4.144 4.144 . 0 0 "[ ]" 1
844 1 70 GLU H 1 73 PHE QB 0.000 . 5.500 4.289 4.289 4.289 . 0 0 "[ ]" 1
845 1 72 GLY H 1 73 PHE HB2 0.000 . 5.500 5.637 5.637 5.637 0.137 1 0 "[ ]" 1
846 1 69 CYS HB3 1 73 PHE QD 0.000 . 5.500 3.203 3.203 3.203 . 0 0 "[ ]" 1
847 1 69 CYS HB2 1 73 PHE QD 0.000 . 5.500 2.755 2.755 2.755 . 0 0 "[ ]" 1
848 1 70 GLU H 1 73 PHE QD 0.000 . 5.500 4.506 4.506 4.506 . 0 0 "[ ]" 1
849 1 71 GLU HA 1 73 PHE QD 0.000 . 5.500 3.243 3.243 3.243 . 0 0 "[ ]" 1
850 1 73 PHE HB3 1 73 PHE QD 0.000 . 2.800 2.607 2.607 2.607 . 0 0 "[ ]" 1
851 1 73 PHE HB2 1 73 PHE QD 0.000 . 2.800 2.311 2.311 2.311 . 0 0 "[ ]" 1
852 1 71 GLU H 1 73 PHE QE 0.000 . 5.500 5.041 5.041 5.041 . 0 0 "[ ]" 1
853 1 73 PHE HA 1 73 PHE QE 0.000 . 5.500 5.541 5.541 5.541 0.041 1 0 "[ ]" 1
854 1 74 GLU HA 1 74 GLU QG 0.000 . 2.800 2.037 2.037 2.037 . 0 0 "[ ]" 1
855 1 69 CYS HB3 1 74 GLU H 0.000 . 5.500 5.405 5.405 5.405 . 0 0 "[ ]" 1
856 1 73 PHE HA 1 74 GLU H 0.000 . 2.800 2.770 2.770 2.770 . 0 0 "[ ]" 1
857 1 73 PHE H 1 74 GLU H 0.000 . 5.500 4.316 4.316 4.316 . 0 0 "[ ]" 1
858 1 73 PHE HB3 1 74 GLU H 0.000 . 3.500 3.600 3.600 3.600 0.100 1 0 "[ ]" 1
859 1 73 PHE HB2 1 74 GLU H 0.000 . 5.500 2.291 2.291 2.291 . 0 0 "[ ]" 1
860 1 73 PHE QD 1 74 GLU H 0.000 . 5.500 2.194 2.194 2.194 . 0 0 "[ ]" 1
861 1 74 GLU H 1 74 GLU HB3 0.000 . 3.500 3.634 3.634 3.634 0.134 1 0 "[ ]" 1
862 1 74 GLU H 1 74 GLU HB2 0.000 . 3.500 2.599 2.599 2.599 . 0 0 "[ ]" 1
863 1 74 GLU H 1 74 GLU QG 0.000 . 3.500 3.599 3.599 3.599 0.099 1 0 "[ ]" 1
864 1 73 PHE HZ 1 75 PRO HA 0.000 . 5.500 3.232 3.232 3.232 . 0 0 "[ ]" 1
865 1 73 PHE QD 1 75 PRO HB3 0.000 . 5.500 4.533 4.533 4.533 . 0 0 "[ ]" 1
866 1 73 PHE QE 1 75 PRO HB3 0.000 . 5.500 2.408 2.408 2.408 . 0 0 "[ ]" 1
867 1 69 CYS H 1 75 PRO HB2 0.000 . 5.500 4.983 4.983 4.983 . 0 0 "[ ]" 1
868 1 73 PHE QD 1 75 PRO HB2 0.000 . 5.500 5.622 5.622 5.622 0.122 1 0 "[ ]" 1
869 1 73 PHE QE 1 75 PRO HB2 0.000 . 5.500 3.698 3.698 3.698 . 0 0 "[ ]" 1
870 1 73 PHE QD 1 75 PRO HD3 0.000 . 5.500 3.144 3.144 3.144 . 0 0 "[ ]" 1
871 1 74 GLU HA 1 75 PRO HD3 0.000 . 2.800 2.358 2.358 2.358 . 0 0 "[ ]" 1
872 1 74 GLU H 1 75 PRO HD3 0.000 . 5.500 3.501 3.501 3.501 . 0 0 "[ ]" 1
873 1 69 CYS H 1 75 PRO HD2 0.000 . 5.500 5.620 5.620 5.620 0.120 1 0 "[ ]" 1
874 1 74 GLU HA 1 75 PRO HD2 0.000 . 2.800 1.947 1.947 1.947 . 0 0 "[ ]" 1
875 1 74 GLU H 1 75 PRO HD2 0.000 . 5.500 4.378 4.378 4.378 . 0 0 "[ ]" 1
876 1 73 PHE QE 1 75 PRO HG3 0.000 . 5.500 2.485 2.485 2.485 . 0 0 "[ ]" 1
877 1 73 PHE QD 1 75 PRO HG2 0.000 . 5.500 5.329 5.329 5.329 . 0 0 "[ ]" 1
878 1 73 PHE QE 1 75 PRO HG2 0.000 . 5.500 3.863 3.863 3.863 . 0 0 "[ ]" 1
879 1 74 GLU HA 1 75 PRO HG2 0.000 . 5.500 4.187 4.187 4.187 . 0 0 "[ ]" 1
880 1 75 PRO HA 1 76 GLY H 0.000 . 2.800 2.802 2.802 2.802 0.002 1 0 "[ ]" 1
881 1 75 PRO HB3 1 76 GLY H 0.000 . 3.500 2.923 2.923 2.923 . 0 0 "[ ]" 1
882 1 75 PRO HB2 1 76 GLY H 0.000 . 3.500 1.915 1.915 1.915 . 0 0 "[ ]" 1
883 1 75 PRO HD3 1 76 GLY H 0.000 . 5.500 5.459 5.459 5.459 . 0 0 "[ ]" 1
884 1 75 PRO HD2 1 76 GLY H 0.000 . 5.500 5.160 5.160 5.160 . 0 0 "[ ]" 1
885 1 75 PRO QG 1 76 GLY H 0.000 . 5.500 3.825 3.825 3.825 . 0 0 "[ ]" 1
886 1 76 GLY H 1 81 CYS HA 0.000 . 5.500 4.245 4.245 4.245 . 0 0 "[ ]" 1
887 1 66 GLU HA 1 77 PRO HA 0.000 . 5.500 5.528 5.528 5.528 0.028 1 0 "[ ]" 1
888 1 76 GLY HA3 1 77 PRO QD 0.000 . 2.800 2.082 2.082 2.082 . 0 0 "[ ]" 1
889 1 64 GLY QA 1 78 MET H 0.000 . 5.500 5.296 5.296 5.296 . 0 0 "[ ]" 1
890 1 65 PHE H 1 78 MET H 0.000 . 5.500 5.090 5.090 5.090 . 0 0 "[ ]" 1
891 1 77 PRO HA 1 78 MET H 0.000 . 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 1
892 1 77 PRO HB3 1 78 MET H 0.000 . 5.500 3.434 3.434 3.434 . 0 0 "[ ]" 1
893 1 77 PRO QD 1 78 MET H 0.000 . 3.500 3.218 3.218 3.218 . 0 0 "[ ]" 1
894 1 78 MET H 1 78 MET HG3 0.000 . 3.500 2.035 2.035 2.035 . 0 0 "[ ]" 1
895 1 78 MET H 1 78 MET HG2 0.000 . 5.500 2.737 2.737 2.737 . 0 0 "[ ]" 1
896 1 65 PHE H 1 78 MET HG3 0.000 . 5.500 4.689 4.689 4.689 . 0 0 "[ ]" 1
897 1 65 PHE H 1 78 MET HG2 0.000 . 5.500 4.602 4.602 4.602 . 0 0 "[ ]" 1
898 1 79 MET HA 1 79 MET HG3 0.000 . 3.500 3.523 3.523 3.523 0.023 1 0 "[ ]" 1
899 1 64 GLY QA 1 79 MET H 0.000 . 5.500 5.489 5.489 5.489 . 0 0 "[ ]" 1
900 1 77 PRO QD 1 79 MET H 0.000 . 5.500 3.753 3.753 3.753 . 0 0 "[ ]" 1
901 1 78 MET HA 1 79 MET H 0.000 . 3.500 2.741 2.741 2.741 . 0 0 "[ ]" 1
902 1 78 MET H 1 79 MET H 0.000 . 3.500 2.792 2.792 2.792 . 0 0 "[ ]" 1
903 1 78 MET HG2 1 79 MET H 0.000 . 5.500 5.073 5.073 5.073 . 0 0 "[ ]" 1
904 1 79 MET H 1 79 MET HB3 0.000 . 3.500 3.582 3.582 3.582 0.082 1 0 "[ ]" 1
905 1 79 MET H 1 79 MET HG2 0.000 . 3.500 3.531 3.531 3.531 0.031 1 0 "[ ]" 1
906 1 64 GLY QA 1 79 MET HG2 0.000 . 5.500 5.536 5.536 5.536 0.036 1 0 "[ ]" 1
907 1 65 PHE QE 1 80 THR HA 0.000 . 5.500 2.940 2.940 2.940 . 0 0 "[ ]" 1
908 1 80 THR HA 1 80 THR HB 0.000 . 2.800 2.535 2.535 2.535 . 0 0 "[ ]" 1
909 1 65 PHE QE 1 80 THR HB 0.000 . 5.500 3.928 3.928 3.928 . 0 0 "[ ]" 1
910 1 76 GLY H 1 80 THR H 0.000 . 5.500 4.379 4.379 4.379 . 0 0 "[ ]" 1
911 1 79 MET HA 1 80 THR H 0.000 . 3.500 3.554 3.554 3.554 0.054 1 0 "[ ]" 1
912 1 79 MET H 1 80 THR H 0.000 . 3.500 2.688 2.688 2.688 . 0 0 "[ ]" 1
913 1 79 MET HB3 1 80 THR H 0.000 . 3.500 2.433 2.433 2.433 . 0 0 "[ ]" 1
914 1 79 MET HB2 1 80 THR H 0.000 . 3.500 2.280 2.280 2.280 . 0 0 "[ ]" 1
915 1 79 MET HG3 1 80 THR H 0.000 . 5.500 4.466 4.466 4.466 . 0 0 "[ ]" 1
916 1 79 MET HG2 1 80 THR H 0.000 . 5.500 4.514 4.514 4.514 . 0 0 "[ ]" 1
917 1 80 THR H 1 80 THR HA 0.000 . 2.800 2.863 2.863 2.863 0.063 1 0 "[ ]" 1
918 1 80 THR H 1 80 THR HB 0.000 . 3.500 3.438 3.438 3.438 . 0 0 "[ ]" 1
919 1 80 THR H 1 80 THR MG 0.000 . 2.800 2.574 2.574 2.574 . 0 0 "[ ]" 1
920 1 65 PHE HZ 1 80 THR MG 0.000 . 5.500 5.513 5.513 5.513 0.013 1 0 "[ ]" 1
921 1 65 PHE QE 1 80 THR MG 0.000 . 5.500 5.075 5.075 5.075 . 0 0 "[ ]" 1
922 1 79 MET H 1 80 THR MG 0.000 . 5.500 4.893 4.893 4.893 . 0 0 "[ ]" 1
923 1 69 CYS HB2 1 81 CYS HA 0.000 . 5.500 4.560 4.560 4.560 . 0 0 "[ ]" 1
924 1 75 PRO HA 1 81 CYS HA 0.000 . 3.500 2.593 2.593 2.593 . 0 0 "[ ]" 1
925 1 75 PRO HG3 1 81 CYS HA 0.000 . 5.500 5.539 5.539 5.539 0.039 1 0 "[ ]" 1
926 1 81 CYS HA 1 81 CYS QB 0.000 . 2.800 2.429 2.429 2.429 . 0 0 "[ ]" 1
927 1 53 CYS HB3 1 81 CYS H 0.000 . 5.500 4.981 4.981 4.981 . 0 0 "[ ]" 1
928 1 53 CYS HB2 1 81 CYS H 0.000 . 5.500 5.248 5.248 5.248 . 0 0 "[ ]" 1
929 1 54 GLY HA2 1 81 CYS H 0.000 . 5.500 5.596 5.596 5.596 0.096 1 0 "[ ]" 1
930 1 75 PRO HA 1 81 CYS H 0.000 . 5.500 5.401 5.401 5.401 . 0 0 "[ ]" 1
931 1 80 THR HA 1 81 CYS H 0.000 . 2.800 2.762 2.762 2.762 . 0 0 "[ ]" 1
932 1 80 THR HB 1 81 CYS H 0.000 . 3.500 3.562 3.562 3.562 0.062 1 0 "[ ]" 1
933 1 80 THR H 1 81 CYS H 0.000 . 5.500 4.348 4.348 4.348 . 0 0 "[ ]" 1
934 1 80 THR MG 1 81 CYS H 0.000 . 2.800 2.589 2.589 2.589 . 0 0 "[ ]" 1
935 1 81 CYS H 1 81 CYS QB 0.000 . 2.800 2.278 2.278 2.278 . 0 0 "[ ]" 1
936 1 55 ASN H 1 81 CYS QB 0.000 . 5.500 3.957 3.957 3.957 . 0 0 "[ ]" 1
937 1 56 GLY H 1 81 CYS QB 0.000 . 5.500 4.447 4.447 4.447 . 0 0 "[ ]" 1
938 1 73 PHE QD 1 81 CYS QB 0.000 . 5.500 4.291 4.291 4.291 . 0 0 "[ ]" 1
939 1 73 PHE QD 1 82 GLU HA 0.000 . 5.500 4.728 4.728 4.728 . 0 0 "[ ]" 1
940 1 73 PHE QE 1 82 GLU HA 0.000 . 5.500 5.463 5.463 5.463 . 0 0 "[ ]" 1
941 1 82 GLU HA 1 82 GLU QG 0.000 . 3.500 3.303 3.303 3.303 . 0 0 "[ ]" 1
942 1 69 CYS HB2 1 82 GLU H 0.000 . 5.500 4.772 4.772 4.772 . 0 0 "[ ]" 1
943 1 73 PHE HB2 1 82 GLU H 0.000 . 5.500 4.653 4.653 4.653 . 0 0 "[ ]" 1
944 1 73 PHE QD 1 82 GLU H 0.000 . 5.500 2.522 2.522 2.522 . 0 0 "[ ]" 1
945 1 74 GLU H 1 82 GLU H 0.000 . 5.500 4.040 4.040 4.040 . 0 0 "[ ]" 1
946 1 76 GLY H 1 82 GLU H 0.000 . 5.500 5.294 5.294 5.294 . 0 0 "[ ]" 1
947 1 80 THR MG 1 82 GLU H 0.000 . 5.500 4.715 4.715 4.715 . 0 0 "[ ]" 1
948 1 81 CYS H 1 82 GLU H 0.000 . 5.500 4.650 4.650 4.650 . 0 0 "[ ]" 1
949 1 81 CYS QB 1 82 GLU H 0.000 . 3.500 3.452 3.452 3.452 . 0 0 "[ ]" 1
950 1 82 GLU H 1 82 GLU HB3 0.000 . 3.500 3.478 3.478 3.478 . 0 0 "[ ]" 1
951 1 82 GLU H 1 82 GLU QG 0.000 . 3.500 2.507 2.507 2.507 . 0 0 "[ ]" 1
952 1 81 CYS H 1 82 GLU HB3 0.000 . 5.500 5.308 5.308 5.308 . 0 0 "[ ]" 1
953 1 81 CYS H 1 82 GLU QG 0.000 . 5.500 5.346 5.346 5.346 . 0 0 "[ ]" 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 76
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 0.090
_Distance_constraint_stats_list.Viol_max 0.040
_Distance_constraint_stats_list.Viol_rms 0.0056
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0180
_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 11 PRO 0.000 0.000 . 0 "[ ]"
1 12 ASP 0.000 0.000 . 0 "[ ]"
1 13 VAL 0.000 0.000 . 0 "[ ]"
1 14 CYS 0.000 0.000 . 0 "[ ]"
1 15 LYS 0.025 0.025 1 0 "[ ]"
1 19 CYS 0.000 0.000 . 0 "[ ]"
1 20 ILE 0.000 0.000 . 0 "[ ]"
1 21 ASN 0.000 0.000 . 0 "[ ]"
1 22 THR 0.000 0.000 . 0 "[ ]"
1 25 SER 0.000 0.000 . 0 "[ ]"
1 27 ARG 0.000 0.000 . 0 "[ ]"
1 30 CYS 0.000 0.000 . 0 "[ ]"
1 33 GLY 0.000 0.000 . 0 "[ ]"
1 34 TYR 0.000 0.000 . 0 "[ ]"
1 35 ILE 0.044 0.040 1 0 "[ ]"
1 36 LEU 0.044 0.040 1 0 "[ ]"
1 39 ASN 0.025 0.025 1 0 "[ ]"
1 40 GLU 0.034 0.025 1 0 "[ ]"
1 41 CYS 0.009 0.009 1 0 "[ ]"
1 42 VAL 0.044 0.040 1 0 "[ ]"
1 43 ASP 0.000 0.000 . 0 "[ ]"
1 44 THR 0.000 0.000 . 0 "[ ]"
1 45 ASP 0.000 0.000 . 0 "[ ]"
1 46 GLU 0.012 0.012 1 0 "[ ]"
1 47 CYS 0.012 0.012 1 0 "[ ]"
1 48 SER 0.000 0.000 . 0 "[ ]"
1 49 VAL 0.000 0.000 . 0 "[ ]"
1 50 GLY 0.000 0.000 . 0 "[ ]"
1 51 ASN 0.000 0.000 . 0 "[ ]"
1 52 PRO 0.012 0.012 1 0 "[ ]"
1 53 CYS 0.000 0.000 . 0 "[ ]"
1 54 GLY 0.000 0.000 . 0 "[ ]"
1 55 ASN 0.000 0.000 . 0 "[ ]"
1 56 GLY 0.000 0.000 . 0 "[ ]"
1 57 THR 0.000 0.000 . 0 "[ ]"
1 58 CYS 0.000 0.000 . 0 "[ ]"
1 59 LYS 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.000 0.000 . 0 "[ ]"
1 61 VAL 0.000 0.000 . 0 "[ ]"
1 62 ILE 0.000 0.000 . 0 "[ ]"
1 63 GLY 0.000 0.000 . 0 "[ ]"
1 64 GLY 0.000 0.000 . 0 "[ ]"
1 65 PHE 0.000 0.000 . 0 "[ ]"
1 66 GLU 0.000 0.000 . 0 "[ ]"
1 68 THR 0.000 0.000 . 0 "[ ]"
1 69 CYS 0.000 0.000 . 0 "[ ]"
1 70 GLU 0.009 0.009 1 0 "[ ]"
1 71 GLU 0.000 0.000 . 0 "[ ]"
1 72 GLY 0.000 0.000 . 0 "[ ]"
1 73 PHE 0.000 0.000 . 0 "[ ]"
1 75 PRO 0.000 0.000 . 0 "[ ]"
1 77 PRO 0.000 0.000 . 0 "[ ]"
1 78 MET 0.000 0.000 . 0 "[ ]"
1 79 MET 0.000 0.000 . 0 "[ ]"
1 80 THR 0.000 0.000 . 0 "[ ]"
1 81 CYS 0.000 0.000 . 0 "[ ]"
1 82 GLU 0.000 0.000 . 0 "[ ]"
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 11 PRO HA 1 12 ASP H 0.000 . 2.800 2.798 2.798 2.798 . 0 0 "[ ]" 2
2 1 11 PRO HB3 1 13 VAL H 0.000 . 2.800 2.600 2.600 2.600 . 0 0 "[ ]" 2
3 1 19 CYS HA 1 20 ILE H 0.000 . 2.800 2.156 2.156 2.156 . 0 0 "[ ]" 2
4 1 20 ILE H 1 20 ILE HB 0.000 . 2.800 2.389 2.389 2.389 . 0 0 "[ ]" 2
5 1 21 ASN HD21 1 22 THR H 0.000 . 5.500 3.294 3.294 3.294 . 0 0 "[ ]" 2
6 1 33 GLY HA3 1 34 TYR H 0.000 . 2.800 2.332 2.332 2.332 . 0 0 "[ ]" 2
7 1 35 ILE HA 1 36 LEU H 0.000 . 2.800 2.552 2.552 2.552 . 0 0 "[ ]" 2
8 1 35 ILE MD 1 36 LEU H 0.000 . 3.500 3.540 3.540 3.540 0.040 1 0 "[ ]" 2
9 1 35 ILE HG13 1 36 LEU H 0.000 . 3.500 3.504 3.504 3.504 0.004 1 0 "[ ]" 2
10 1 35 ILE HG12 1 36 LEU H 0.000 . 2.800 2.378 2.378 2.378 . 0 0 "[ ]" 2
11 1 39 ASN HA 1 40 GLU H 0.000 . 2.800 2.761 2.761 2.761 . 0 0 "[ ]" 2
12 1 39 ASN H 1 40 GLU H 0.000 . 3.500 2.514 2.514 2.514 . 0 0 "[ ]" 2
13 1 40 GLU QB 1 41 CYS H 0.000 . 2.800 2.295 2.295 2.295 . 0 0 "[ ]" 2
14 1 40 GLU QG 1 41 CYS H 0.000 . 2.800 2.809 2.809 2.809 0.009 1 0 "[ ]" 2
15 1 41 CYS H 1 41 CYS HB2 0.000 . 2.800 1.919 1.919 1.919 . 0 0 "[ ]" 2
16 1 36 LEU MD2 1 42 VAL H 0.000 . 3.500 3.496 3.496 3.496 . 0 0 "[ ]" 2
17 1 42 VAL HB 1 43 ASP H 0.000 . 2.800 1.802 1.802 1.802 . 0 0 "[ ]" 2
18 1 47 CYS HA 1 48 SER H 0.000 . 2.800 2.740 2.740 2.740 . 0 0 "[ ]" 2
19 1 54 GLY HA2 1 56 GLY H 0.000 . 2.800 2.342 2.342 2.342 . 0 0 "[ ]" 2
20 1 56 GLY HA3 1 57 THR H 0.000 . 2.800 2.175 2.175 2.175 . 0 0 "[ ]" 2
21 1 56 GLY HA2 1 57 THR H 0.000 . 2.800 2.765 2.765 2.765 . 0 0 "[ ]" 2
22 1 61 VAL MG2 1 62 ILE H 0.000 . 2.800 1.805 1.805 1.805 . 0 0 "[ ]" 2
23 1 61 VAL MG2 1 63 GLY H 0.000 . 5.500 4.705 4.705 4.705 . 0 0 "[ ]" 2
24 1 60 ASN HD21 1 61 VAL H 0.000 . 5.500 4.346 4.346 4.346 . 0 0 "[ ]" 2
25 1 61 VAL H 1 64 GLY H 0.000 . 5.500 4.575 4.575 4.575 . 0 0 "[ ]" 2
26 1 64 GLY H 1 66 GLU H 0.000 . 5.500 5.477 5.477 5.477 . 0 0 "[ ]" 2
27 1 70 GLU HB2 1 71 GLU H 0.000 . 2.800 2.278 2.278 2.278 . 0 0 "[ ]" 2
28 1 70 GLU QG 1 71 GLU H 0.000 . 2.800 2.800 2.800 2.800 . 0 0 "[ ]" 2
29 1 71 GLU HA 1 72 GLY H 0.000 . 2.800 2.066 2.066 2.066 . 0 0 "[ ]" 2
30 1 71 GLU HA 1 73 PHE H 0.000 . 3.500 2.943 2.943 2.943 . 0 0 "[ ]" 2
31 1 77 PRO HB2 1 78 MET H 0.000 . 3.500 1.846 1.846 1.846 . 0 0 "[ ]" 2
32 1 77 PRO QG 1 78 MET H 0.000 . 2.800 2.614 2.614 2.614 . 0 0 "[ ]" 2
33 1 78 MET HB2 1 79 MET H 0.000 . 3.500 3.500 3.500 3.500 . 0 0 "[ ]" 2
34 1 78 MET HB3 1 79 MET H 0.000 . 2.800 2.389 2.389 2.389 . 0 0 "[ ]" 2
35 1 81 CYS HA 1 82 GLU H 0.000 . 2.500 2.320 2.320 2.320 . 0 0 "[ ]" 2
36 1 30 CYS HB3 1 34 TYR H 0.000 . 3.500 3.251 3.251 3.251 . 0 0 "[ ]" 2
37 1 46 GLU H 1 60 ASN HB2 0.000 . 5.500 3.132 3.132 3.132 . 0 0 "[ ]" 2
38 1 47 CYS H 1 60 ASN HB2 0.000 . 3.500 3.024 3.024 3.024 . 0 0 "[ ]" 2
39 1 46 GLU HB3 1 47 CYS H 0.000 . 3.500 3.512 3.512 3.512 0.012 1 0 "[ ]" 2
40 1 46 GLU QG 1 48 SER H 0.000 . 5.500 4.517 4.517 4.517 . 0 0 "[ ]" 2
41 1 56 GLY HA3 1 68 THR H 0.000 . 2.800 2.574 2.574 2.574 . 0 0 "[ ]" 2
42 1 53 CYS H 1 53 CYS HB3 0.000 . 3.500 3.249 3.249 3.249 . 0 0 "[ ]" 2
43 1 50 GLY H 1 51 ASN HA 0.000 . 5.500 4.265 4.265 4.265 . 0 0 "[ ]" 2
44 1 47 CYS HA 1 50 GLY H 0.000 . 3.500 3.138 3.138 3.138 . 0 0 "[ ]" 2
45 1 50 GLY H 1 52 PRO HD3 0.000 . 5.500 3.495 3.495 3.495 . 0 0 "[ ]" 2
46 1 50 GLY H 1 51 ASN HB2 0.000 . 5.500 3.816 3.816 3.816 . 0 0 "[ ]" 2
47 1 50 GLY H 1 52 PRO HB2 0.000 . 5.500 4.619 4.619 4.619 . 0 0 "[ ]" 2
48 1 50 GLY H 1 52 PRO HB3 0.000 . 5.500 4.784 4.784 4.784 . 0 0 "[ ]" 2
49 1 50 GLY H 1 52 PRO HG2 0.000 . 5.500 5.246 5.246 5.246 . 0 0 "[ ]" 2
50 1 50 GLY H 1 52 PRO HG3 0.000 . 5.500 4.473 4.473 4.473 . 0 0 "[ ]" 2
51 1 55 ASN HB3 1 56 GLY H 0.000 . 3.500 2.985 2.985 2.985 . 0 0 "[ ]" 2
52 1 60 ASN HB2 1 61 VAL H 0.000 . 3.500 3.196 3.196 3.196 . 0 0 "[ ]" 2
53 1 65 PHE H 1 77 PRO HA 0.000 . 5.500 5.106 5.106 5.106 . 0 0 "[ ]" 2
54 1 64 GLY H 1 79 MET H 0.000 . 5.500 4.865 4.865 4.865 . 0 0 "[ ]" 2
55 1 30 CYS H 1 30 CYS HB3 0.000 . 3.500 3.254 3.254 3.254 . 0 0 "[ ]" 2
56 1 47 CYS H 1 47 CYS HB3 0.000 . 2.800 2.178 2.178 2.178 . 0 0 "[ ]" 2
57 1 20 ILE HA 1 20 ILE HG13 0.000 . 3.500 2.272 2.272 2.272 . 0 0 "[ ]" 2
58 1 34 TYR HA 1 35 ILE MG 0.000 . 5.500 2.903 2.903 2.903 . 0 0 "[ ]" 2
59 1 34 TYR HA 1 44 THR MG 0.000 . 5.500 3.803 3.803 3.803 . 0 0 "[ ]" 2
60 1 34 TYR HB3 1 34 TYR QD 0.000 . 2.800 2.271 2.271 2.271 . 0 0 "[ ]" 2
61 1 36 LEU MD2 1 39 ASN HA 0.000 . 5.500 2.814 2.814 2.814 . 0 0 "[ ]" 2
62 1 39 ASN HA 1 42 VAL MG2 0.000 . 5.500 5.031 5.031 5.031 . 0 0 "[ ]" 2
63 1 14 CYS HA 1 39 ASN HA 0.000 . 5.500 3.633 3.633 3.633 . 0 0 "[ ]" 2
64 1 15 LYS HB3 1 39 ASN HA 0.000 . 3.500 3.525 3.525 3.525 0.025 1 0 "[ ]" 2
65 1 15 LYS HB2 1 39 ASN HA 0.000 . 3.500 2.259 2.259 2.259 . 0 0 "[ ]" 2
66 1 36 LEU MD2 1 41 CYS HA 0.000 . 5.500 3.261 3.261 3.261 . 0 0 "[ ]" 2
67 1 44 THR HA 1 44 THR MG 0.000 . 2.800 2.374 2.374 2.374 . 0 0 "[ ]" 2
68 1 35 ILE MD 1 44 THR HB 0.000 . 2.800 1.611 1.611 1.611 . 0 0 "[ ]" 2
69 1 49 VAL HA 1 49 VAL HB 0.000 . 2.800 2.286 2.286 2.286 . 0 0 "[ ]" 2
70 1 46 GLU HB3 1 51 ASN HA 0.000 . 5.500 3.917 3.917 3.917 . 0 0 "[ ]" 2
71 1 33 GLY HA2 1 63 GLY HA3 0.000 . 5.500 4.155 4.155 4.155 . 0 0 "[ ]" 2
72 1 51 ASN HA 1 52 PRO HD3 0.000 . 2.800 2.132 2.132 2.132 . 0 0 "[ ]" 2
73 1 68 THR HA 1 68 THR MG 0.000 . 2.800 2.322 2.322 2.322 . 0 0 "[ ]" 2
74 1 75 PRO HA 1 75 PRO HB3 0.000 . 2.800 2.257 2.257 2.257 . 0 0 "[ ]" 2
75 1 13 VAL MG1 1 27 ARG HA 0.000 . 5.500 5.266 5.266 5.266 . 0 0 "[ ]" 2
76 1 45 ASP HA 1 48 SER H 0.000 . 5.500 4.054 4.054 4.054 . 0 0 "[ ]" 2
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