NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
514019 |
2l2i   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l2i
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 1239
_Distance_constraint_stats_list.Viol_count 1770
_Distance_constraint_stats_list.Viol_total 2597.697
_Distance_constraint_stats_list.Viol_max 1.361
_Distance_constraint_stats_list.Viol_rms 0.0405
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0052
_Distance_constraint_stats_list.Viol_average_violations_only 0.0734
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 PRO 1.480 0.077 7 0 "[ . 1 . 2]"
1 2 SER 1.480 0.077 7 0 "[ . 1 . 2]"
1 3 HIS 2.593 0.135 12 0 "[ . 1 . 2]"
1 4 SER 2.031 0.135 12 0 "[ . 1 . 2]"
1 5 GLY 0.048 0.015 6 0 "[ . 1 . 2]"
1 6 ALA 0.009 0.006 12 0 "[ . 1 . 2]"
1 7 ALA 0.853 0.059 2 0 "[ . 1 . 2]"
1 8 ILE 0.003 0.003 2 0 "[ . 1 . 2]"
1 9 PHE 13.880 0.780 13 20 [************+**-****]
1 10 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.552 0.044 8 0 "[ . 1 . 2]"
1 13 SER 1.339 0.102 8 0 "[ . 1 . 2]"
1 14 GLY 0.469 0.041 18 0 "[ . 1 . 2]"
1 15 ILE 0.026 0.014 1 0 "[ . 1 . 2]"
1 16 ILE 1.967 0.119 5 0 "[ . 1 . 2]"
1 17 ALA 0.365 0.040 19 0 "[ . 1 . 2]"
1 18 ILE 1.355 0.117 12 0 "[ . 1 . 2]"
1 19 ASN 2.312 0.087 9 0 "[ . 1 . 2]"
1 20 GLU 1.713 0.091 9 0 "[ . 1 . 2]"
1 21 ASP 2.683 0.091 9 0 "[ . 1 . 2]"
1 22 VAL 1.918 0.087 9 0 "[ . 1 . 2]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.128 0.031 4 0 "[ . 1 . 2]"
1 27 LEU 6.117 0.200 1 0 "[ . 1 . 2]"
1 28 THR 5.322 0.204 3 0 "[ . 1 . 2]"
1 29 TRP 21.463 0.780 13 20 [************+**-****]
1 30 ARG 0.213 0.039 6 0 "[ . 1 . 2]"
1 31 SER 0.221 0.044 16 0 "[ . 1 . 2]"
1 32 THR 1.568 0.115 18 0 "[ . 1 . 2]"
1 33 ASP 3.531 0.118 15 0 "[ . 1 . 2]"
1 34 GLY 0.726 0.065 8 0 "[ . 1 . 2]"
1 35 ASP 1.925 0.118 8 0 "[ . 1 . 2]"
1 36 LYS 0.795 0.099 9 0 "[ . 1 . 2]"
1 37 VAL 1.066 0.083 4 0 "[ . 1 . 2]"
1 38 HIS 0.075 0.029 6 0 "[ . 1 . 2]"
1 39 THR 11.300 0.204 3 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 VAL 0.128 0.031 4 0 "[ . 1 . 2]"
1 42 LEU 0.386 0.107 8 0 "[ . 1 . 2]"
1 43 SER 5.084 0.168 10 0 "[ . 1 . 2]"
1 44 THR 4.224 0.148 3 0 "[ . 1 . 2]"
1 45 ILE 2.931 0.168 10 0 "[ . 1 . 2]"
1 46 ASP 0.111 0.111 3 0 "[ . 1 . 2]"
1 47 LYS 0.026 0.021 17 0 "[ . 1 . 2]"
1 48 LEU 0.626 0.178 9 0 "[ . 1 . 2]"
1 49 GLN 0.197 0.062 17 0 "[ . 1 . 2]"
1 50 ALA 2.985 0.186 19 0 "[ . 1 . 2]"
1 51 THR 0.771 0.088 5 0 "[ . 1 . 2]"
1 52 PRO 0.012 0.012 1 0 "[ . 1 . 2]"
1 53 ALA 0.386 0.121 9 0 "[ . 1 . 2]"
1 54 SER 1.182 0.121 9 0 "[ . 1 . 2]"
1 55 SER 0.841 0.044 2 0 "[ . 1 . 2]"
1 56 GLU 0.248 0.046 13 0 "[ . 1 . 2]"
1 57 LYS 1.107 0.112 8 0 "[ . 1 . 2]"
1 58 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 MET 1.602 0.118 17 0 "[ . 1 . 2]"
1 60 LEU 8.023 0.520 18 4 "[ - 1* * . + 2]"
1 61 ARG 0.185 0.053 17 0 "[ . 1 . 2]"
1 62 LEU 0.026 0.021 17 0 "[ . 1 . 2]"
1 63 ILE 0.036 0.023 4 0 "[ . 1 . 2]"
1 64 GLY 0.051 0.016 18 0 "[ . 1 . 2]"
1 65 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 VAL 0.039 0.024 14 0 "[ . 1 . 2]"
1 67 ASP 0.039 0.024 14 0 "[ . 1 . 2]"
1 68 GLU 2.863 0.203 3 0 "[ . 1 . 2]"
1 69 SER 2.669 0.119 14 0 "[ . 1 . 2]"
1 70 LYS 2.808 0.123 15 0 "[ . 1 . 2]"
1 71 LYS 0.051 0.051 16 0 "[ . 1 . 2]"
1 72 ARG 0.136 0.051 16 0 "[ . 1 . 2]"
1 73 LYS 0.158 0.032 19 0 "[ . 1 . 2]"
1 74 ASP 1.534 0.119 4 0 "[ . 1 . 2]"
1 75 ASN 1.833 0.113 17 0 "[ . 1 . 2]"
1 76 GLU 3.401 0.121 11 0 "[ . 1 . 2]"
1 77 GLY 0.017 0.012 7 0 "[ . 1 . 2]"
1 78 ASN 0.146 0.025 12 0 "[ . 1 . 2]"
1 79 GLU 0.136 0.032 19 0 "[ . 1 . 2]"
1 80 VAL 0.697 0.081 11 0 "[ . 1 . 2]"
1 81 VAL 3.489 0.203 3 0 "[ . 1 . 2]"
1 82 PRO 0.081 0.081 11 0 "[ . 1 . 2]"
1 83 LYS 0.004 0.003 16 0 "[ . 1 . 2]"
1 84 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 GLN 0.000 0.000 3 0 "[ . 1 . 2]"
1 86 ARG 0.051 0.016 18 0 "[ . 1 . 2]"
1 87 HIS 0.068 0.015 3 0 "[ . 1 . 2]"
1 88 MET 1.851 0.118 17 0 "[ . 1 . 2]"
1 89 PHE 0.660 0.059 2 0 "[ . 1 . 2]"
1 90 SER 0.122 0.056 5 0 "[ . 1 . 2]"
1 91 PHE 0.071 0.022 15 0 "[ . 1 . 2]"
1 92 ASN 0.463 0.046 9 0 "[ . 1 . 2]"
1 93 ASN 1.017 0.093 11 0 "[ . 1 . 2]"
1 94 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 THR 1.641 0.148 8 0 "[ . 1 . 2]"
1 96 VAL 1.011 0.093 11 0 "[ . 1 . 2]"
1 97 MET 0.101 0.024 1 0 "[ . 1 . 2]"
1 98 ASP 0.098 0.016 16 0 "[ . 1 . 2]"
1 99 ASN 0.431 0.051 14 0 "[ . 1 . 2]"
1 100 ILE 3.932 0.157 19 0 "[ . 1 . 2]"
1 101 LYS 6.214 0.520 18 4 "[ - 1* * . + 2]"
1 102 MET 0.201 0.028 16 0 "[ . 1 . 2]"
1 103 THR 0.637 0.051 14 0 "[ . 1 . 2]"
1 104 LEU 0.108 0.034 6 0 "[ . 1 . 2]"
1 105 GLN 21.033 1.361 3 19 [**+******1***-******]
1 106 GLN 0.041 0.015 9 0 "[ . 1 . 2]"
1 107 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ILE 2.134 0.178 9 0 "[ . 1 . 2]"
1 109 SER 1.654 0.121 1 0 "[ . 1 . 2]"
1 110 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 111 TYR 0.063 0.011 13 0 "[ . 1 . 2]"
1 112 LYS 0.347 0.108 7 0 "[ . 1 . 2]"
1 113 ASP 0.762 0.047 7 0 "[ . 1 . 2]"
1 114 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ASP 0.001 0.001 12 0 "[ . 1 . 2]"
2 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 GLU 0.349 0.076 11 0 "[ . 1 . 2]"
2 17 ASP 2.331 0.373 14 0 "[ . 1 . 2]"
2 18 GLU 1.241 0.373 14 0 "[ . 1 . 2]"
2 19 ARG 5.363 0.123 16 0 "[ . 1 . 2]"
2 20 GLY 3.218 0.129 8 0 "[ . 1 . 2]"
2 21 ALA 1.007 0.105 17 0 "[ . 1 . 2]"
2 22 ASP 1.170 0.121 5 0 "[ . 1 . 2]"
2 23 ALA 1.497 0.121 5 0 "[ . 1 . 2]"
2 24 THR 0.961 0.123 5 0 "[ . 1 . 2]"
2 25 TRP 2.038 0.136 19 0 "[ . 1 . 2]"
2 26 ASP 1.084 0.120 20 0 "[ . 1 . 2]"
2 27 LEU 0.867 0.120 20 0 "[ . 1 . 2]"
2 28 ASP 1.567 0.157 2 0 "[ . 1 . 2]"
2 29 LEU 0.819 0.143 10 0 "[ . 1 . 2]"
2 30 LEU 0.052 0.021 4 0 "[ . 1 . 2]"
2 31 LEU 21.083 1.361 3 19 [**+******1***-******]
2 32 THR 0.772 0.123 4 0 "[ . 1 . 2]"
2 33 ASN 0.020 0.005 20 0 "[ . 1 . 2]"
2 34 PHE 0.017 0.005 14 0 "[ . 1 . 2]"
2 35 SER 0.014 0.005 14 0 "[ . 1 . 2]"
2 36 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 PRO HA 1 2 SER H 2.800 . 2.800 2.874 2.872 2.877 0.077 7 0 "[ . 1 . 2]" 1
2 1 1 PRO QD 1 2 SER H 3.400 . 3.400 3.085 3.084 3.087 . 0 0 "[ . 1 . 2]" 1
3 1 1 PRO QB 1 2 SER H 5.000 . 5.000 3.952 3.949 3.953 . 0 0 "[ . 1 . 2]" 1
4 1 1 PRO QG 1 2 SER H 5.000 . 5.000 4.432 4.431 4.434 . 0 0 "[ . 1 . 2]" 1
5 1 3 HIS HA 1 18 ILE QG 6.000 . 6.000 3.061 1.875 4.010 . 0 0 "[ . 1 . 2]" 1
6 1 3 HIS HA 1 18 ILE MG 6.000 . 6.000 4.425 4.134 4.740 . 0 0 "[ . 1 . 2]" 1
7 1 3 HIS HD2 1 18 ILE MG 6.000 . 6.000 3.224 2.168 4.965 . 0 0 "[ . 1 . 2]" 1
8 1 3 HIS HA 1 100 ILE MG 6.000 . 6.000 5.044 5.026 5.063 . 0 0 "[ . 1 . 2]" 1
9 1 3 HIS HD2 1 103 THR MG 6.000 . 6.000 2.720 1.829 4.756 . 0 0 "[ . 1 . 2]" 1
10 1 3 HIS HA 1 4 SER H 3.400 . 3.400 3.459 2.551 3.535 0.135 12 0 "[ . 1 . 2]" 1
11 1 3 HIS QB 1 4 SER H 6.000 . 6.000 2.444 1.956 2.786 . 0 0 "[ . 1 . 2]" 1
12 1 4 SER H 1 5 GLY H 5.000 . 5.000 4.474 4.010 4.531 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER HA 1 16 ILE MG 6.000 . 6.000 3.795 3.528 3.906 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER QB 1 17 ALA HA 5.000 . 5.000 3.678 3.431 3.955 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER HA 1 17 ALA HA 2.800 . 2.800 2.059 1.887 2.181 . 0 0 "[ . 1 . 2]" 1
16 1 4 SER QB 1 17 ALA MB 4.080 . 4.080 2.839 2.441 3.034 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER HA 1 17 ALA MB 4.080 . 4.080 2.673 2.314 2.875 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER H 1 17 ALA HA 5.000 . 5.000 4.039 1.965 4.262 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER H 1 18 ILE H 5.000 . 5.000 4.139 2.033 4.390 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER H 1 100 ILE QG 5.000 . 5.000 4.394 3.476 4.483 . 0 0 "[ . 1 . 2]" 1
21 1 4 SER H 1 100 ILE MD 6.000 . 6.000 4.786 3.500 4.978 . 0 0 "[ . 1 . 2]" 1
22 1 4 SER HA 1 100 ILE MD 6.000 . 6.000 3.648 3.587 3.786 . 0 0 "[ . 1 . 2]" 1
23 1 4 SER QB 1 100 ILE MD 6.750 . 6.750 5.019 5.010 5.033 . 0 0 "[ . 1 . 2]" 1
24 1 4 SER HA 1 5 GLY H 2.800 . 2.800 2.120 2.104 2.132 . 0 0 "[ . 1 . 2]" 1
25 1 4 SER QB 1 5 GLY H 3.400 . 3.400 3.040 3.033 3.046 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLY H 1 15 ILE HA 5.000 . 5.000 4.660 4.267 4.822 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLY H 1 16 ILE HA 5.000 . 5.000 4.598 4.505 4.633 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLY H 1 16 ILE HB 5.000 . 5.000 4.958 4.801 5.015 0.015 6 0 "[ . 1 . 2]" 1
29 1 5 GLY H 1 16 ILE MG 6.000 . 6.000 2.465 2.130 2.713 . 0 0 "[ . 1 . 2]" 1
30 1 5 GLY H 1 17 ALA HA 5.000 . 5.000 3.405 3.305 3.520 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLY H 1 17 ALA MB 6.000 . 6.000 3.733 3.551 3.895 . 0 0 "[ . 1 . 2]" 1
32 1 5 GLY H 1 96 VAL QG 6.750 . 6.750 4.337 4.020 4.693 . 0 0 "[ . 1 . 2]" 1
33 1 5 GLY H 1 100 ILE MD 6.000 . 6.000 3.246 3.129 3.572 . 0 0 "[ . 1 . 2]" 1
34 1 5 GLY H 1 6 ALA H 5.000 . 5.000 4.362 4.343 4.369 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLY QA 1 6 ALA H 2.800 . 2.800 2.306 2.302 2.310 . 0 0 "[ . 1 . 2]" 1
36 1 6 ALA H 1 6 ALA MB 3.360 . 3.360 2.345 2.320 2.359 . 0 0 "[ . 1 . 2]" 1
37 1 6 ALA MB 1 7 ALA HA 6.000 . 6.000 3.923 3.907 3.943 . 0 0 "[ . 1 . 2]" 1
38 1 6 ALA MB 1 15 ILE HA 6.000 . 6.000 3.543 3.495 3.586 . 0 0 "[ . 1 . 2]" 1
39 1 6 ALA HA 1 15 ILE HA 2.800 . 2.800 2.270 2.223 2.329 . 0 0 "[ . 1 . 2]" 1
40 1 6 ALA HA 1 15 ILE MG 6.000 . 6.000 2.897 2.778 2.964 . 0 0 "[ . 1 . 2]" 1
41 1 6 ALA H 1 15 ILE HA 5.000 . 5.000 4.935 4.834 5.006 0.006 12 0 "[ . 1 . 2]" 1
42 1 6 ALA H 1 16 ILE H 5.000 . 5.000 4.414 4.369 4.462 . 0 0 "[ . 1 . 2]" 1
43 1 6 ALA H 1 96 VAL QG 4.580 . 4.580 2.083 1.866 2.623 . 0 0 "[ . 1 . 2]" 1
44 1 6 ALA H 1 100 ILE MG 6.000 . 6.000 4.957 4.749 5.013 . 0 0 "[ . 1 . 2]" 1
45 1 6 ALA H 1 100 ILE MD 6.000 . 6.000 4.991 4.902 5.018 . 0 0 "[ . 1 . 2]" 1
46 1 6 ALA H 1 7 ALA H 5.000 . 5.000 4.489 4.476 4.504 . 0 0 "[ . 1 . 2]" 1
47 1 6 ALA HA 1 7 ALA H 2.800 . 2.800 2.173 2.162 2.191 . 0 0 "[ . 1 . 2]" 1
48 1 6 ALA MB 1 7 ALA H 3.360 . 3.360 2.823 2.807 2.833 . 0 0 "[ . 1 . 2]" 1
49 1 7 ALA H 1 8 ILE H 5.000 . 5.000 4.387 4.349 4.400 . 0 0 "[ . 1 . 2]" 1
50 1 7 ALA H 1 15 ILE HA 3.400 . 3.400 3.111 2.934 3.231 . 0 0 "[ . 1 . 2]" 1
51 1 7 ALA H 1 15 ILE QG 5.600 . 5.600 4.887 4.761 4.983 . 0 0 "[ . 1 . 2]" 1
52 1 7 ALA MB 1 16 ILE QG 6.000 . 6.000 3.745 3.481 3.858 . 0 0 "[ . 1 . 2]" 1
53 1 7 ALA MB 1 16 ILE MD 4.040 . 4.040 2.445 2.276 2.540 . 0 0 "[ . 1 . 2]" 1
54 1 7 ALA H 1 16 ILE H 5.000 . 5.000 3.511 3.360 3.622 . 0 0 "[ . 1 . 2]" 1
55 1 7 ALA H 1 16 ILE HB 5.800 2.200 5.800 3.976 3.855 4.126 . 0 0 "[ . 1 . 2]" 1
56 1 7 ALA H 1 29 TRP HD1 6.000 . 6.000 3.896 3.752 4.038 . 0 0 "[ . 1 . 2]" 1
57 1 7 ALA MB 1 89 PHE HA 6.000 . 6.000 4.251 3.942 4.577 . 0 0 "[ . 1 . 2]" 1
58 1 7 ALA HA 1 89 PHE QE 5.600 . 5.600 4.202 4.065 4.340 . 0 0 "[ . 1 . 2]" 1
59 1 7 ALA HA 1 89 PHE QB 5.600 . 5.600 4.729 4.262 4.996 . 0 0 "[ . 1 . 2]" 1
60 1 7 ALA HA 1 89 PHE HZ 6.000 . 6.000 6.033 6.008 6.059 0.059 2 0 "[ . 1 . 2]" 1
61 1 7 ALA HA 1 91 PHE HA 6.000 . 6.000 3.727 3.513 4.354 . 0 0 "[ . 1 . 2]" 1
62 1 7 ALA HA 1 91 PHE QD 5.600 . 5.600 2.110 1.865 2.365 . 0 0 "[ . 1 . 2]" 1
63 1 7 ALA HA 1 91 PHE QE 5.600 . 5.600 3.532 2.788 3.738 . 0 0 "[ . 1 . 2]" 1
64 1 7 ALA HA 1 91 PHE HZ 5.000 . 5.000 4.925 4.394 5.022 0.022 15 0 "[ . 1 . 2]" 1
65 1 7 ALA HA 1 8 ILE H 2.800 . 2.800 2.366 2.315 2.404 . 0 0 "[ . 1 . 2]" 1
66 1 8 ILE H 1 8 ILE HB 3.400 . 3.400 2.727 2.697 2.763 . 0 0 "[ . 1 . 2]" 1
67 1 8 ILE H 1 8 ILE QG 3.400 . 3.400 2.993 2.928 3.051 . 0 0 "[ . 1 . 2]" 1
68 1 8 ILE H 1 9 PHE H 5.000 . 5.000 4.400 4.370 4.420 . 0 0 "[ . 1 . 2]" 1
69 1 8 ILE HA 1 13 SER HA 3.400 . 3.400 2.325 2.213 2.424 . 0 0 "[ . 1 . 2]" 1
70 1 8 ILE QG 1 13 SER HA 5.000 . 5.000 2.033 1.973 2.067 . 0 0 "[ . 1 . 2]" 1
71 1 8 ILE MD 1 13 SER QB 6.000 . 6.000 2.896 2.799 3.010 . 0 0 "[ . 1 . 2]" 1
72 1 8 ILE HB 1 90 SER QB 5.600 . 5.600 3.821 3.556 3.895 . 0 0 "[ . 1 . 2]" 1
73 1 8 ILE MD 1 90 SER QB 6.000 . 6.000 4.282 4.157 4.377 . 0 0 "[ . 1 . 2]" 1
74 1 8 ILE MG 1 90 SER QB 6.000 . 6.000 4.382 4.032 4.462 . 0 0 "[ . 1 . 2]" 1
75 1 8 ILE H 1 90 SER H 5.000 . 5.000 3.041 2.881 3.189 . 0 0 "[ . 1 . 2]" 1
76 1 8 ILE H 1 90 SER QB 5.000 . 5.000 4.484 4.458 4.519 . 0 0 "[ . 1 . 2]" 1
77 1 8 ILE H 1 91 PHE HA 5.000 . 5.000 3.740 3.494 4.232 . 0 0 "[ . 1 . 2]" 1
78 1 8 ILE HA 1 9 PHE H 2.800 . 2.800 2.192 2.161 2.210 . 0 0 "[ . 1 . 2]" 1
79 1 8 ILE QG 1 9 PHE H 5.000 . 5.000 3.917 3.884 3.951 . 0 0 "[ . 1 . 2]" 1
80 1 8 ILE MD 1 9 PHE H 6.000 . 6.000 5.000 4.978 5.012 . 0 0 "[ . 1 . 2]" 1
81 1 8 ILE MG 1 9 PHE H 4.080 . 4.080 1.963 1.935 2.049 . 0 0 "[ . 1 . 2]" 1
82 1 9 PHE HA 1 9 PHE QD 3.820 . 3.820 3.091 3.064 3.137 . 0 0 "[ . 1 . 2]" 1
83 1 9 PHE H 1 10 GLU H 5.000 . 5.000 4.322 4.295 4.341 . 0 0 "[ . 1 . 2]" 1
84 1 9 PHE H 1 12 VAL H 5.000 . 5.000 2.857 2.793 2.927 . 0 0 "[ . 1 . 2]" 1
85 1 9 PHE H 1 12 VAL HB 5.000 . 5.000 3.602 3.391 3.748 . 0 0 "[ . 1 . 2]" 1
86 1 9 PHE H 1 12 VAL QG 6.740 . 6.740 4.046 3.947 4.127 . 0 0 "[ . 1 . 2]" 1
87 1 9 PHE H 1 13 SER QB 5.800 2.200 5.800 5.080 5.015 5.189 . 0 0 "[ . 1 . 2]" 1
88 1 9 PHE H 1 14 GLY H 5.000 . 5.000 5.023 5.011 5.041 0.041 18 0 "[ . 1 . 2]" 1
89 1 9 PHE H 1 29 TRP HD1 6.000 . 6.000 6.671 6.578 6.780 0.780 13 20 [************+**-****] 1
90 1 9 PHE H 1 29 TRP HH2 5.000 . 5.000 3.633 3.492 3.761 . 0 0 "[ . 1 . 2]" 1
91 1 9 PHE H 1 29 TRP HE1 5.000 . 5.000 4.752 4.666 4.841 . 0 0 "[ . 1 . 2]" 1
92 1 9 PHE H 1 29 TRP HZ2 5.000 . 5.000 3.087 2.995 3.198 . 0 0 "[ . 1 . 2]" 1
93 1 9 PHE QE 1 87 HIS HA 5.610 . 5.610 3.274 2.828 3.904 . 0 0 "[ . 1 . 2]" 1
94 1 9 PHE QD 1 89 PHE HA 5.610 . 5.610 3.525 3.087 3.877 . 0 0 "[ . 1 . 2]" 1
95 1 9 PHE HA 1 89 PHE HA 5.000 . 5.000 4.063 3.851 4.258 . 0 0 "[ . 1 . 2]" 1
96 1 9 PHE HA 1 89 PHE QD 5.600 . 5.600 4.231 4.096 4.309 . 0 0 "[ . 1 . 2]" 1
97 1 9 PHE QD 1 10 GLU H 5.610 . 5.610 2.964 2.344 3.362 . 0 0 "[ . 1 . 2]" 1
98 1 9 PHE HA 1 10 GLU H 2.800 . 2.800 2.231 2.189 2.244 . 0 0 "[ . 1 . 2]" 1
99 1 9 PHE QB 1 10 GLU H 5.600 . 5.600 3.570 3.497 3.660 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLU HA 1 10 GLU QG 3.810 . 3.810 2.433 2.202 3.306 . 0 0 "[ . 1 . 2]" 1
101 1 10 GLU H 1 10 GLU HA 2.800 . 2.800 2.278 2.274 2.289 . 0 0 "[ . 1 . 2]" 1
102 1 10 GLU H 1 10 GLU QG 3.400 . 3.400 3.078 3.040 3.179 . 0 0 "[ . 1 . 2]" 1
103 1 10 GLU H 1 11 LYS H 5.000 . 5.000 2.853 2.791 2.985 . 0 0 "[ . 1 . 2]" 1
104 1 8 ILE MG 1 11 LYS HA 3.360 . 3.360 2.820 2.813 2.833 . 0 0 "[ . 1 . 2]" 1
105 1 8 ILE MG 1 11 LYS H 4.080 . 4.080 2.977 2.918 3.047 . 0 0 "[ . 1 . 2]" 1
106 1 10 GLU QG 1 11 LYS QG 5.000 . 5.000 3.998 3.984 4.016 . 0 0 "[ . 1 . 2]" 1
107 1 10 GLU HA 1 11 LYS H 3.400 . 3.400 2.797 2.715 2.851 . 0 0 "[ . 1 . 2]" 1
108 1 11 LYS HA 1 11 LYS QG 3.400 . 3.400 2.793 2.702 3.049 . 0 0 "[ . 1 . 2]" 1
109 1 11 LYS H 1 11 LYS HA 2.800 . 2.800 2.269 2.264 2.272 . 0 0 "[ . 1 . 2]" 1
110 1 11 LYS H 1 11 LYS QD 5.600 . 5.600 4.449 3.016 4.746 . 0 0 "[ . 1 . 2]" 1
111 1 11 LYS H 1 11 LYS QG 3.400 . 3.400 2.675 2.601 2.714 . 0 0 "[ . 1 . 2]" 1
112 1 8 ILE QG 1 12 VAL H 5.600 . 5.600 5.030 5.019 5.046 . 0 0 "[ . 1 . 2]" 1
113 1 8 ILE MG 1 12 VAL H 6.000 . 6.000 2.578 2.536 2.634 . 0 0 "[ . 1 . 2]" 1
114 1 8 ILE HA 1 12 VAL H 5.000 . 5.000 4.597 4.530 4.669 . 0 0 "[ . 1 . 2]" 1
115 1 9 PHE HA 1 12 VAL H 5.000 . 5.000 4.173 4.131 4.219 . 0 0 "[ . 1 . 2]" 1
116 1 9 PHE QD 1 12 VAL H 5.000 . 5.000 4.509 4.485 4.549 . 0 0 "[ . 1 . 2]" 1
117 1 10 GLU H 1 12 VAL H 5.000 . 5.000 4.106 4.052 4.157 . 0 0 "[ . 1 . 2]" 1
118 1 10 GLU HA 1 12 VAL H 5.000 . 5.000 4.310 4.240 4.390 . 0 0 "[ . 1 . 2]" 1
119 1 11 LYS HA 1 12 VAL H 5.000 . 5.000 3.095 3.067 3.130 . 0 0 "[ . 1 . 2]" 1
120 1 11 LYS QB 1 12 VAL H 5.000 . 5.000 3.736 3.681 3.809 . 0 0 "[ . 1 . 2]" 1
121 1 12 VAL H 1 12 VAL HB 2.800 . 2.800 2.764 2.680 2.809 0.009 7 0 "[ . 1 . 2]" 1
122 1 12 VAL H 1 29 TRP HZ3 6.000 . 6.000 6.015 5.958 6.036 0.036 4 0 "[ . 1 . 2]" 1
123 1 12 VAL H 1 29 TRP HZ2 5.000 . 5.000 4.972 4.910 5.004 0.004 9 0 "[ . 1 . 2]" 1
124 1 12 VAL H 1 29 TRP HH2 5.000 . 5.000 4.304 4.275 4.341 . 0 0 "[ . 1 . 2]" 1
125 1 12 VAL HB 1 29 TRP HH2 5.000 . 5.000 2.261 2.161 2.396 . 0 0 "[ . 1 . 2]" 1
126 1 12 VAL HB 1 29 TRP HZ2 5.000 . 5.000 4.183 4.060 4.305 . 0 0 "[ . 1 . 2]" 1
127 1 12 VAL MG1 1 29 TRP HZ2 6.000 . 6.000 3.888 3.736 4.052 . 0 0 "[ . 1 . 2]" 1
128 1 12 VAL MG2 1 29 TRP HH2 6.000 . 6.000 3.869 3.794 3.945 . 0 0 "[ . 1 . 2]" 1
129 1 12 VAL MG2 1 29 TRP HZ3 6.000 . 6.000 4.532 4.417 4.657 . 0 0 "[ . 1 . 2]" 1
130 1 12 VAL MG1 1 31 SER HA 6.000 . 6.000 3.641 3.358 3.951 . 0 0 "[ . 1 . 2]" 1
131 1 12 VAL MG1 1 31 SER QB 6.750 . 6.750 2.594 2.087 3.206 . 0 0 "[ . 1 . 2]" 1
132 1 12 VAL QG 1 36 LYS QD 4.580 . 4.580 1.851 1.756 1.938 0.044 8 0 "[ . 1 . 2]" 1
133 1 8 ILE MD 1 13 SER HA 6.000 . 6.000 3.775 3.726 3.806 . 0 0 "[ . 1 . 2]" 1
134 1 8 ILE MG 1 13 SER HA 6.000 . 6.000 2.666 2.551 2.740 . 0 0 "[ . 1 . 2]" 1
135 1 8 ILE MD 1 13 SER H 6.000 . 6.000 4.993 4.916 5.008 . 0 0 "[ . 1 . 2]" 1
136 1 8 ILE MG 1 13 SER H 6.000 . 6.000 3.457 3.355 3.584 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL HA 1 13 SER H 2.800 . 2.800 2.156 2.148 2.162 . 0 0 "[ . 1 . 2]" 1
138 1 12 VAL HB 1 13 SER H 5.000 . 5.000 4.170 4.096 4.253 . 0 0 "[ . 1 . 2]" 1
139 1 12 VAL QG 1 13 SER H 6.750 . 6.750 2.697 2.562 2.843 . 0 0 "[ . 1 . 2]" 1
140 1 13 SER HA 1 13 SER QB 2.800 . 2.800 2.181 2.160 2.185 . 0 0 "[ . 1 . 2]" 1
141 1 13 SER H 1 13 SER QB 5.000 . 5.000 2.725 2.629 2.944 . 0 0 "[ . 1 . 2]" 1
142 1 13 SER H 1 14 GLY H 5.000 . 5.000 4.568 4.555 4.573 . 0 0 "[ . 1 . 2]" 1
143 1 13 SER H 1 29 TRP HZ2 5.000 . 5.000 4.118 4.062 4.179 . 0 0 "[ . 1 . 2]" 1
144 1 13 SER H 1 29 TRP HH2 5.000 . 5.000 3.986 3.887 4.092 . 0 0 "[ . 1 . 2]" 1
145 1 13 SER HA 1 29 TRP HZ3 6.000 . 6.000 6.066 6.044 6.102 0.102 8 0 "[ . 1 . 2]" 1
146 1 8 ILE HA 1 14 GLY H 3.400 . 3.400 3.342 3.269 3.403 0.003 2 0 "[ . 1 . 2]" 1
147 1 8 ILE QG 1 14 GLY H 5.000 . 5.000 3.110 3.011 3.177 . 0 0 "[ . 1 . 2]" 1
148 1 8 ILE MD 1 14 GLY H 6.000 . 6.000 4.597 4.507 4.661 . 0 0 "[ . 1 . 2]" 1
149 1 8 ILE MG 1 14 GLY H 6.000 . 6.000 4.452 4.382 4.506 . 0 0 "[ . 1 . 2]" 1
150 1 13 SER HA 1 14 GLY H 2.800 . 2.800 2.246 2.197 2.290 . 0 0 "[ . 1 . 2]" 1
151 1 13 SER QB 1 14 GLY H 3.400 . 3.400 2.577 2.493 2.675 . 0 0 "[ . 1 . 2]" 1
152 1 14 GLY H 1 29 TRP HD1 6.000 . 6.000 5.206 5.108 5.278 . 0 0 "[ . 1 . 2]" 1
153 1 14 GLY H 1 29 TRP HE1 5.000 . 5.000 2.866 2.768 2.951 . 0 0 "[ . 1 . 2]" 1
154 1 14 GLY H 1 29 TRP HZ2 5.000 . 5.000 2.393 2.308 2.494 . 0 0 "[ . 1 . 2]" 1
155 1 14 GLY H 1 29 TRP HH2 5.000 . 5.000 4.488 4.409 4.596 . 0 0 "[ . 1 . 2]" 1
156 1 4 SER QB 1 15 ILE MG 4.080 . 4.080 3.070 3.057 3.098 . 0 0 "[ . 1 . 2]" 1
157 1 6 ALA MB 1 15 ILE MG 4.900 . 4.900 3.414 3.408 3.421 . 0 0 "[ . 1 . 2]" 1
158 1 14 GLY QA 1 15 ILE H 2.800 . 2.800 2.303 2.297 2.310 . 0 0 "[ . 1 . 2]" 1
159 1 15 ILE HB 1 15 ILE MD 3.360 . 3.360 2.197 2.060 2.439 . 0 0 "[ . 1 . 2]" 1
160 1 15 ILE HA 1 15 ILE MG 3.360 . 3.360 2.128 2.096 2.176 . 0 0 "[ . 1 . 2]" 1
161 1 15 ILE H 1 15 ILE HB 3.400 . 3.400 2.842 2.798 2.883 . 0 0 "[ . 1 . 2]" 1
162 1 15 ILE H 1 15 ILE QG 5.000 . 5.000 2.599 2.154 2.846 . 0 0 "[ . 1 . 2]" 1
163 1 15 ILE H 1 16 ILE H 5.000 . 5.000 4.420 4.392 4.438 . 0 0 "[ . 1 . 2]" 1
164 1 15 ILE MG 1 17 ALA MB 4.900 . 4.900 3.376 3.272 3.404 . 0 0 "[ . 1 . 2]" 1
165 1 15 ILE H 1 29 TRP HD1 5.000 . 5.000 4.750 4.569 4.847 . 0 0 "[ . 1 . 2]" 1
166 1 15 ILE H 1 29 TRP HA 5.000 . 5.000 4.355 4.224 4.507 . 0 0 "[ . 1 . 2]" 1
167 1 15 ILE H 1 30 ARG QB 5.800 2.200 5.800 3.306 3.008 3.499 . 0 0 "[ . 1 . 2]" 1
168 1 15 ILE H 1 32 THR H 5.000 . 5.000 4.666 4.328 5.014 0.014 1 0 "[ . 1 . 2]" 1
169 1 4 SER HA 1 16 ILE H 5.000 . 5.000 4.806 4.526 4.894 . 0 0 "[ . 1 . 2]" 1
170 1 5 GLY H 1 16 ILE H 3.400 . 3.400 3.094 2.889 3.163 . 0 0 "[ . 1 . 2]" 1
171 1 6 ALA HA 1 16 ILE MG 3.360 . 3.360 2.832 2.823 2.852 . 0 0 "[ . 1 . 2]" 1
172 1 7 ALA MB 1 16 ILE HB 4.080 . 4.080 2.306 1.897 2.444 . 0 0 "[ . 1 . 2]" 1
173 1 15 ILE HA 1 16 ILE H 3.400 . 3.400 2.133 2.115 2.148 . 0 0 "[ . 1 . 2]" 1
174 1 15 ILE MG 1 16 ILE H 3.360 . 3.360 2.552 2.464 2.641 . 0 0 "[ . 1 . 2]" 1
175 1 16 ILE H 1 16 ILE HB 3.400 . 3.400 2.885 2.837 2.915 . 0 0 "[ . 1 . 2]" 1
176 1 16 ILE HA 1 29 TRP QB 5.000 . 5.000 3.368 3.217 3.672 . 0 0 "[ . 1 . 2]" 1
177 1 16 ILE H 1 29 TRP HD1 5.000 . 5.000 3.651 3.574 3.776 . 0 0 "[ . 1 . 2]" 1
178 1 16 ILE MG 1 89 PHE QD 6.750 . 6.750 5.055 4.836 5.209 . 0 0 "[ . 1 . 2]" 1
179 1 16 ILE MG 1 89 PHE QE 6.750 . 6.750 5.012 4.907 5.158 . 0 0 "[ . 1 . 2]" 1
180 1 16 ILE MG 1 89 PHE HZ 6.000 . 6.000 5.615 5.413 5.810 . 0 0 "[ . 1 . 2]" 1
181 1 16 ILE MG 1 91 PHE HZ 6.000 . 6.000 3.956 3.764 4.258 . 0 0 "[ . 1 . 2]" 1
182 1 16 ILE MG 1 91 PHE QE . . 6.740 3.915 3.783 4.136 . 0 0 "[ . 1 . 2]" 1
183 1 16 ILE MD 1 100 ILE MG 4.900 . 4.900 3.410 3.405 3.418 . 0 0 "[ . 1 . 2]" 1
184 1 16 ILE HA 1 17 ALA H 3.400 . 3.400 2.206 2.176 2.235 . 0 0 "[ . 1 . 2]" 1
185 1 16 ILE HB 1 17 ALA H 5.000 . 5.000 4.265 4.193 4.371 . 0 0 "[ . 1 . 2]" 1
186 1 16 ILE MG 1 17 ALA H 6.000 . 6.000 4.041 3.899 4.181 . 0 0 "[ . 1 . 2]" 1
187 1 16 ILE MD 1 17 ALA H 6.000 . 6.000 4.370 4.204 4.643 . 0 0 "[ . 1 . 2]" 1
188 1 17 ALA H 1 17 ALA MB 3.360 . 3.360 2.606 2.549 2.656 . 0 0 "[ . 1 . 2]" 1
189 1 17 ALA H 1 18 ILE H 5.000 . 5.000 4.385 4.317 4.440 . 0 0 "[ . 1 . 2]" 1
190 1 17 ALA H 1 27 LEU MD1 6.000 . 6.000 3.475 2.906 4.130 . 0 0 "[ . 1 . 2]" 1
191 1 17 ALA MB 1 28 THR HB 6.000 . 6.000 4.522 4.255 4.988 . 0 0 "[ . 1 . 2]" 1
192 1 17 ALA H 1 28 THR H 5.000 . 5.000 3.109 2.868 3.283 . 0 0 "[ . 1 . 2]" 1
193 1 17 ALA H 1 28 THR HB 5.000 . 5.000 4.824 4.644 5.040 0.040 19 0 "[ . 1 . 2]" 1
194 1 17 ALA H 1 28 THR MG 6.000 . 6.000 4.826 4.125 5.097 . 0 0 "[ . 1 . 2]" 1
195 1 17 ALA H 1 29 TRP HD1 5.000 . 5.000 4.944 4.862 5.031 0.031 18 0 "[ . 1 . 2]" 1
196 1 17 ALA H 1 29 TRP HA 5.000 . 5.000 3.568 3.445 3.692 . 0 0 "[ . 1 . 2]" 1
197 1 17 ALA H 1 30 ARG H 5.000 . 5.000 4.944 4.623 5.039 0.039 6 0 "[ . 1 . 2]" 1
198 1 3 HIS QB 1 18 ILE MD 6.250 . 6.250 3.041 2.422 3.982 . 0 0 "[ . 1 . 2]" 1
199 1 3 HIS HA 1 18 ILE H 3.400 . 3.400 3.428 3.404 3.449 0.049 4 0 "[ . 1 . 2]" 1
200 1 3 HIS QB 1 18 ILE H 5.000 . 5.000 2.076 1.943 2.331 . 0 0 "[ . 1 . 2]" 1
201 1 4 SER HA 1 18 ILE H 5.000 . 5.000 3.646 3.551 3.776 . 0 0 "[ . 1 . 2]" 1
202 1 17 ALA MB 1 18 ILE H 4.080 . 4.080 2.857 2.743 2.948 . 0 0 "[ . 1 . 2]" 1
203 1 18 ILE H 1 18 ILE QG 3.400 . 3.400 2.456 2.062 2.985 . 0 0 "[ . 1 . 2]" 1
204 1 18 ILE H 1 18 ILE HB 2.800 . 2.800 2.614 2.434 2.824 0.024 3 0 "[ . 1 . 2]" 1
205 1 18 ILE H 1 18 ILE MD 4.080 . 4.080 2.987 2.604 3.400 . 0 0 "[ . 1 . 2]" 1
206 1 18 ILE MG 1 20 GLU QG 6.000 . 6.000 3.463 2.335 4.441 . 0 0 "[ . 1 . 2]" 1
207 1 18 ILE MD 1 100 ILE QG 6.000 . 6.000 1.890 1.683 2.380 0.117 12 0 "[ . 1 . 2]" 1
208 1 18 ILE MD 1 100 ILE HA 6.000 . 6.000 3.606 2.942 4.652 . 0 0 "[ . 1 . 2]" 1
209 1 18 ILE H 1 100 ILE MD 6.000 . 6.000 3.866 3.690 4.005 . 0 0 "[ . 1 . 2]" 1
210 1 18 ILE QG 1 107 ILE MD 6.000 . 6.000 4.462 4.454 4.477 . 0 0 "[ . 1 . 2]" 1
211 1 18 ILE H 1 19 ASN H 5.000 . 5.000 4.513 4.230 4.559 . 0 0 "[ . 1 . 2]" 1
212 1 18 ILE HA 1 19 ASN H 2.800 . 2.800 2.215 2.173 2.233 . 0 0 "[ . 1 . 2]" 1
213 1 18 ILE MD 1 19 ASN H 6.000 . 6.000 4.719 3.776 5.045 . 0 0 "[ . 1 . 2]" 1
214 1 18 ILE MG 1 19 ASN H 4.080 . 4.080 2.285 2.007 3.236 . 0 0 "[ . 1 . 2]" 1
215 1 19 ASN H 1 19 ASN QB 3.400 . 3.400 2.478 2.158 2.687 . 0 0 "[ . 1 . 2]" 1
216 1 19 ASN H 1 20 GLU H 5.000 . 5.000 4.166 4.125 4.372 . 0 0 "[ . 1 . 2]" 1
217 1 19 ASN QD 1 22 VAL MG2 6.750 . 6.750 3.493 1.855 4.592 . 0 0 "[ . 1 . 2]" 1
218 1 19 ASN H 1 26 GLU H 5.000 . 5.000 3.669 3.476 4.171 . 0 0 "[ . 1 . 2]" 1
219 1 19 ASN H 1 27 LEU HA 3.400 . 3.400 2.746 2.079 2.949 . 0 0 "[ . 1 . 2]" 1
220 1 18 ILE MG 1 20 GLU H 6.000 . 6.000 3.875 3.554 4.630 . 0 0 "[ . 1 . 2]" 1
221 1 19 ASN HA 1 20 GLU H 2.800 . 2.800 2.118 2.117 2.120 . 0 0 "[ . 1 . 2]" 1
222 1 19 ASN QB 1 20 GLU H 5.000 . 5.000 3.647 3.448 3.875 . 0 0 "[ . 1 . 2]" 1
223 1 20 GLU H 1 20 GLU QG 5.000 . 5.000 3.484 1.999 4.094 . 0 0 "[ . 1 . 2]" 1
224 1 20 GLU H 1 22 VAL H 5.000 . 5.000 4.526 4.467 4.557 . 0 0 "[ . 1 . 2]" 1
225 1 19 ASN HA 1 21 ASP H 3.400 . 3.400 3.448 3.441 3.458 0.058 7 0 "[ . 1 . 2]" 1
226 1 20 GLU H 1 21 ASP H 2.800 . 2.800 2.584 2.533 2.612 . 0 0 "[ . 1 . 2]" 1
227 1 20 GLU QB 1 21 ASP H 5.000 . 5.000 3.770 3.733 3.986 . 0 0 "[ . 1 . 2]" 1
228 1 20 GLU HA 1 21 ASP H 2.800 . 2.800 2.886 2.879 2.891 0.091 9 0 "[ . 1 . 2]" 1
229 1 21 ASP H 1 21 ASP QB 3.140 . 3.140 2.382 2.254 2.794 . 0 0 "[ . 1 . 2]" 1
230 1 21 ASP H 1 22 VAL QG 6.740 . 6.740 3.004 2.953 3.031 . 0 0 "[ . 1 . 2]" 1
231 1 19 ASN QB 1 22 VAL QG 6.740 . 6.740 2.546 2.387 2.786 . 0 0 "[ . 1 . 2]" 1
232 1 19 ASN HA 1 22 VAL H 5.000 . 5.000 5.067 5.051 5.087 0.087 9 0 "[ . 1 . 2]" 1
233 1 19 ASN QB 1 22 VAL H 5.000 . 5.000 3.558 3.293 4.128 . 0 0 "[ . 1 . 2]" 1
234 1 21 ASP H 1 22 VAL H 2.800 . 2.800 2.076 2.051 2.093 . 0 0 "[ . 1 . 2]" 1
235 1 21 ASP QB 1 22 VAL H 5.610 . 5.610 2.989 2.893 3.620 . 0 0 "[ . 1 . 2]" 1
236 1 22 VAL HA 1 22 VAL HB 2.800 . 2.800 2.768 2.762 2.777 . 0 0 "[ . 1 . 2]" 1
237 1 22 VAL H 1 22 VAL HB 3.400 . 3.400 3.429 3.423 3.433 0.033 18 0 "[ . 1 . 2]" 1
238 1 22 VAL H 1 22 VAL QG 3.770 . 3.770 1.862 1.851 1.889 . 0 0 "[ . 1 . 2]" 1
239 1 22 VAL H 1 23 SER H 5.000 . 5.000 4.561 4.553 4.567 . 0 0 "[ . 1 . 2]" 1
240 1 22 VAL H 1 25 ALA MB 5.600 . 5.600 4.673 4.670 4.680 . 0 0 "[ . 1 . 2]" 1
241 1 22 VAL H 1 25 ALA HA 5.000 . 5.000 3.843 3.769 3.888 . 0 0 "[ . 1 . 2]" 1
242 1 22 VAL HA 1 23 SER H 2.800 . 2.800 2.462 2.442 2.479 . 0 0 "[ . 1 . 2]" 1
243 1 22 VAL HB 1 23 SER H 2.800 . 2.800 2.504 2.459 2.567 . 0 0 "[ . 1 . 2]" 1
244 1 22 VAL QG 1 23 SER H 4.580 . 4.580 2.700 2.652 2.767 . 0 0 "[ . 1 . 2]" 1
245 1 23 SER HA 1 23 SER QB 2.800 . 2.800 2.368 2.154 2.512 . 0 0 "[ . 1 . 2]" 1
246 1 23 SER H 1 23 SER QB 3.400 . 3.400 2.469 2.172 2.914 . 0 0 "[ . 1 . 2]" 1
247 1 23 SER QB 1 24 PRO HA 5.000 . 5.000 3.904 3.894 3.913 . 0 0 "[ . 1 . 2]" 1
248 1 24 PRO QB 1 41 VAL QG 3.770 . 3.770 2.034 1.897 2.259 . 0 0 "[ . 1 . 2]" 1
249 1 20 GLU HA 1 25 ALA MB 4.080 . 4.080 2.107 1.958 2.310 . 0 0 "[ . 1 . 2]" 1
250 1 20 GLU QG 1 25 ALA MB 6.000 . 6.000 2.348 1.836 4.452 . 0 0 "[ . 1 . 2]" 1
251 1 22 VAL QG 1 25 ALA HA 4.580 . 4.580 3.176 3.087 3.234 . 0 0 "[ . 1 . 2]" 1
252 1 22 VAL QG 1 25 ALA H 6.600 . 6.600 4.679 4.608 4.729 . 0 0 "[ . 1 . 2]" 1
253 1 23 SER QB 1 25 ALA H 5.600 . 5.600 5.017 5.009 5.027 . 0 0 "[ . 1 . 2]" 1
254 1 24 PRO HA 1 25 ALA H 3.400 . 3.400 2.337 2.318 2.349 . 0 0 "[ . 1 . 2]" 1
255 1 24 PRO QB 1 25 ALA H 5.000 . 5.000 3.836 3.823 3.847 . 0 0 "[ . 1 . 2]" 1
256 1 24 PRO QD 1 25 ALA H 5.000 . 5.000 4.469 4.458 4.481 . 0 0 "[ . 1 . 2]" 1
257 1 25 ALA H 1 25 ALA MB 3.360 . 3.360 2.120 2.077 2.236 . 0 0 "[ . 1 . 2]" 1
258 1 25 ALA H 1 26 GLU H 5.000 . 5.000 4.183 4.133 4.221 . 0 0 "[ . 1 . 2]" 1
259 1 25 ALA H 1 41 VAL QG 6.750 . 6.750 5.089 5.077 5.100 . 0 0 "[ . 1 . 2]" 1
260 1 25 ALA H 1 111 TYR HE2 5.000 . 5.000 2.706 2.094 3.098 . 0 0 "[ . 1 . 2]" 1
261 1 25 ALA H 1 111 TYR QD 5.600 . 5.600 4.883 4.418 5.003 . 0 0 "[ . 1 . 2]" 1
262 1 25 ALA MB 1 111 TYR QD 6.750 . 6.750 4.311 3.821 4.686 . 0 0 "[ . 1 . 2]" 1
263 1 19 ASN QB 1 26 GLU H 5.000 . 5.000 3.040 2.742 3.269 . 0 0 "[ . 1 . 2]" 1
264 1 22 VAL H 1 26 GLU H 5.000 . 5.000 4.625 4.504 4.699 . 0 0 "[ . 1 . 2]" 1
265 1 25 ALA HA 1 26 GLU H 2.800 . 2.800 2.153 2.144 2.164 . 0 0 "[ . 1 . 2]" 1
266 1 25 ALA MB 1 26 GLU H 4.080 . 4.080 3.483 3.461 3.507 . 0 0 "[ . 1 . 2]" 1
267 1 26 GLU H 1 26 GLU QG 5.000 . 5.000 1.997 1.931 2.145 . 0 0 "[ . 1 . 2]" 1
268 1 26 GLU H 1 27 LEU H 5.000 . 5.000 4.501 4.486 4.524 . 0 0 "[ . 1 . 2]" 1
269 1 26 GLU HA 1 41 VAL HA 3.400 . 3.400 3.276 2.882 3.431 0.031 4 0 "[ . 1 . 2]" 1
270 1 26 GLU H 1 42 LEU H 5.000 . 5.000 4.488 4.407 4.619 . 0 0 "[ . 1 . 2]" 1
271 1 16 ILE MD 1 27 LEU QD 8.100 . 8.100 1.881 1.756 2.115 0.044 10 0 "[ . 1 . 2]" 1
272 1 18 ILE QG 1 27 LEU QD 6.740 . 6.740 2.564 1.773 3.726 0.027 20 0 "[ . 1 . 2]" 1
273 1 18 ILE HA 1 27 LEU HA 3.400 . 3.400 2.160 1.949 2.426 . 0 0 "[ . 1 . 2]" 1
274 1 26 GLU QG 1 27 LEU H 5.000 . 5.000 3.918 3.600 4.132 . 0 0 "[ . 1 . 2]" 1
275 1 26 GLU QB 1 27 LEU H 3.400 . 3.400 2.241 2.218 2.270 . 0 0 "[ . 1 . 2]" 1
276 1 27 LEU H 1 27 LEU HA 2.800 . 2.800 2.913 2.906 2.918 0.118 6 0 "[ . 1 . 2]" 1
277 1 27 LEU H 1 27 LEU QB 3.820 . 3.820 2.918 2.444 3.033 . 0 0 "[ . 1 . 2]" 1
278 1 27 LEU H 1 28 THR H 5.000 . 5.000 4.375 4.314 4.438 . 0 0 "[ . 1 . 2]" 1
279 1 27 LEU QD 1 39 THR HA 6.740 . 6.740 4.169 3.801 4.974 . 0 0 "[ . 1 . 2]" 1
280 1 27 LEU H 1 39 THR MG 6.000 . 6.000 4.167 4.071 4.322 . 0 0 "[ . 1 . 2]" 1
281 1 27 LEU H 1 39 THR HA 5.000 . 5.000 5.171 5.112 5.200 0.200 1 0 "[ . 1 . 2]" 1
282 1 27 LEU H 1 40 VAL QG 6.000 . 6.000 4.151 3.980 4.261 . 0 0 "[ . 1 . 2]" 1
283 1 27 LEU H 1 41 VAL HA 5.000 . 5.000 3.510 2.920 3.784 . 0 0 "[ . 1 . 2]" 1
284 1 27 LEU HG 1 42 LEU MD2 6.000 . 6.000 4.064 2.540 5.002 . 0 0 "[ . 1 . 2]" 1
285 1 27 LEU QD 1 42 LEU QD 6.180 . 6.180 1.907 1.693 2.853 0.107 8 0 "[ . 1 . 2]" 1
286 1 27 LEU H 1 42 LEU H 5.000 . 5.000 2.974 2.787 3.112 . 0 0 "[ . 1 . 2]" 1
287 1 27 LEU QD 1 89 PHE QD 6.250 . 6.250 4.110 3.929 4.143 . 0 0 "[ . 1 . 2]" 1
288 1 27 LEU QD 1 89 PHE QE 6.250 . 6.250 3.861 3.494 4.137 . 0 0 "[ . 1 . 2]" 1
289 1 17 ALA MB 1 28 THR H 4.080 . 4.080 3.424 3.368 3.456 . 0 0 "[ . 1 . 2]" 1
290 1 18 ILE HA 1 28 THR H 5.000 . 5.000 3.840 3.634 4.115 . 0 0 "[ . 1 . 2]" 1
291 1 19 ASN H 1 28 THR H 5.000 . 5.000 4.672 3.686 5.002 0.002 9 0 "[ . 1 . 2]" 1
292 1 27 LEU HA 1 28 THR H 2.800 . 2.800 2.240 2.187 2.331 . 0 0 "[ . 1 . 2]" 1
293 1 27 LEU QB 1 28 THR H 5.610 . 5.610 2.972 2.644 3.634 . 0 0 "[ . 1 . 2]" 1
294 1 27 LEU QD 1 28 THR H 6.740 . 6.740 3.434 3.100 4.140 . 0 0 "[ . 1 . 2]" 1
295 1 28 THR H 1 28 THR HB 3.400 . 3.400 2.830 2.391 3.588 0.188 4 0 "[ . 1 . 2]" 1
296 1 28 THR MG 1 30 ARG QG 6.000 . 6.000 4.227 2.073 4.467 . 0 0 "[ . 1 . 2]" 1
297 1 28 THR MG 1 37 VAL HB 6.000 . 6.000 4.373 3.711 5.042 . 0 0 "[ . 1 . 2]" 1
298 1 28 THR HB 1 37 VAL QG 7.550 . 7.550 3.815 2.845 5.097 . 0 0 "[ . 1 . 2]" 1
299 1 28 THR MG 1 39 THR HB 6.000 . 6.000 3.744 3.310 5.035 . 0 0 "[ . 1 . 2]" 1
300 1 28 THR MG 1 39 THR HA 4.080 . 4.080 2.416 1.997 3.447 . 0 0 "[ . 1 . 2]" 1
301 1 28 THR H 1 39 THR HA 5.000 . 5.000 4.391 4.275 4.546 . 0 0 "[ . 1 . 2]" 1
302 1 28 THR HA 1 39 THR HA 5.000 . 5.000 1.764 1.732 1.797 0.068 14 0 "[ . 1 . 2]" 1
303 1 28 THR HA 1 39 THR MG 5.600 . 5.600 3.293 2.862 3.507 . 0 0 "[ . 1 . 2]" 1
304 1 28 THR HA 1 40 VAL QG 5.600 . 5.600 3.856 3.519 4.161 . 0 0 "[ . 1 . 2]" 1
305 1 7 ALA MB 1 29 TRP HD1 6.000 . 6.000 2.404 2.165 2.517 . 0 0 "[ . 1 . 2]" 1
306 1 7 ALA MB 1 29 TRP HE1 5.600 . 5.600 2.375 2.197 2.505 . 0 0 "[ . 1 . 2]" 1
307 1 8 ILE MG 1 29 TRP HE1 6.000 . 6.000 5.076 5.064 5.090 . 0 0 "[ . 1 . 2]" 1
308 1 9 PHE QB 1 29 TRP HE1 5.600 . 5.600 4.889 4.773 5.006 . 0 0 "[ . 1 . 2]" 1
309 1 12 VAL QG 1 29 TRP HZ2 6.750 . 6.750 3.808 3.674 3.953 . 0 0 "[ . 1 . 2]" 1
310 1 13 SER HA 1 29 TRP HE1 6.000 . 6.000 4.068 4.031 4.113 . 0 0 "[ . 1 . 2]" 1
311 1 13 SER QB 1 29 TRP HE1 5.600 . 5.600 5.027 5.002 5.042 . 0 0 "[ . 1 . 2]" 1
312 1 14 GLY QA 1 29 TRP HE1 5.000 . 5.000 3.288 3.164 3.352 . 0 0 "[ . 1 . 2]" 1
313 1 14 GLY QA 1 29 TRP HZ2 5.600 . 5.600 2.889 2.828 2.997 . 0 0 "[ . 1 . 2]" 1
314 1 16 ILE MD 1 29 TRP HD1 6.000 . 6.000 3.065 2.997 3.115 . 0 0 "[ . 1 . 2]" 1
315 1 16 ILE MD 1 29 TRP HE1 5.600 . 5.600 4.706 4.693 4.727 . 0 0 "[ . 1 . 2]" 1
316 1 16 ILE MG 1 29 TRP HE1 6.000 . 6.000 4.391 4.268 4.489 . 0 0 "[ . 1 . 2]" 1
317 1 16 ILE HA 1 29 TRP HE1 5.000 . 5.000 5.091 5.052 5.119 0.119 5 0 "[ . 1 . 2]" 1
318 1 16 ILE HA 1 29 TRP HD1 5.000 . 5.000 2.822 2.741 2.883 . 0 0 "[ . 1 . 2]" 1
319 1 16 ILE HB 1 29 TRP HD1 5.600 . 5.600 1.869 1.790 1.949 0.010 18 0 "[ . 1 . 2]" 1
320 1 16 ILE QG 1 29 TRP HD1 5.600 . 5.600 3.526 3.407 3.616 . 0 0 "[ . 1 . 2]" 1
321 1 16 ILE MG 1 29 TRP HD1 6.000 . 6.000 3.467 3.369 3.543 . 0 0 "[ . 1 . 2]" 1
322 1 28 THR HB 1 29 TRP H 5.000 . 5.000 3.654 2.685 4.315 . 0 0 "[ . 1 . 2]" 1
323 1 28 THR MG 1 29 TRP H 4.080 . 4.080 2.593 2.140 3.471 . 0 0 "[ . 1 . 2]" 1
324 1 29 TRP H 1 29 TRP HE3 5.000 . 5.000 4.455 4.292 4.676 . 0 0 "[ . 1 . 2]" 1
325 1 29 TRP HZ2 1 31 SER HA 6.000 . 6.000 3.808 3.646 4.118 . 0 0 "[ . 1 . 2]" 1
326 1 29 TRP H 1 37 VAL QG 6.000 . 6.000 3.399 3.058 4.339 . 0 0 "[ . 1 . 2]" 1
327 1 29 TRP H 1 38 HIS H 5.000 . 5.000 3.006 2.654 3.375 . 0 0 "[ . 1 . 2]" 1
328 1 29 TRP H 1 39 THR HA 2.800 . 2.800 2.884 2.849 2.914 0.114 7 0 "[ . 1 . 2]" 1
329 1 29 TRP QB 1 89 PHE QE 6.000 . 6.000 2.917 2.740 3.150 . 0 0 "[ . 1 . 2]" 1
330 1 14 GLY QA 1 30 ARG H 5.000 . 5.000 3.890 3.456 4.201 . 0 0 "[ . 1 . 2]" 1
331 1 15 ILE H 1 30 ARG H 3.400 . 3.400 2.832 2.547 3.081 . 0 0 "[ . 1 . 2]" 1
332 1 16 ILE HA 1 30 ARG H 5.000 . 5.000 3.817 3.652 4.087 . 0 0 "[ . 1 . 2]" 1
333 1 29 TRP H 1 30 ARG H 5.000 . 5.000 4.279 4.133 4.540 . 0 0 "[ . 1 . 2]" 1
334 1 29 TRP QB 1 30 ARG H 5.000 . 5.000 3.846 3.641 3.934 . 0 0 "[ . 1 . 2]" 1
335 1 29 TRP HA 1 30 ARG H 5.000 . 5.000 2.187 2.169 2.233 . 0 0 "[ . 1 . 2]" 1
336 1 30 ARG H 1 30 ARG QG 5.000 . 5.000 3.739 2.396 4.225 . 0 0 "[ . 1 . 2]" 1
337 1 30 ARG H 1 30 ARG QB 3.400 . 3.400 2.517 2.249 2.801 . 0 0 "[ . 1 . 2]" 1
338 1 30 ARG H 1 31 SER H 5.000 . 5.000 4.348 4.201 4.433 . 0 0 "[ . 1 . 2]" 1
339 1 30 ARG HA 1 36 LYS QG 5.000 . 5.000 4.338 4.058 4.465 . 0 0 "[ . 1 . 2]" 1
340 1 30 ARG HA 1 37 VAL HA 2.800 . 2.800 2.060 1.927 2.367 . 0 0 "[ . 1 . 2]" 1
341 1 30 ARG QG 1 37 VAL HA 5.000 . 5.000 3.415 2.940 3.854 . 0 0 "[ . 1 . 2]" 1
342 1 30 ARG HA 1 37 VAL QG 6.750 . 6.750 2.302 1.929 3.052 . 0 0 "[ . 1 . 2]" 1
343 1 30 ARG H 1 37 VAL HA 5.000 . 5.000 4.540 4.410 5.008 0.008 6 0 "[ . 1 . 2]" 1
344 1 29 TRP HE3 1 31 SER H 5.000 . 5.000 4.064 3.904 4.220 . 0 0 "[ . 1 . 2]" 1
345 1 29 TRP HH2 1 31 SER H 5.000 . 5.000 4.854 4.604 5.014 0.014 16 0 "[ . 1 . 2]" 1
346 1 29 TRP HZ3 1 31 SER H 5.000 . 5.000 3.893 3.674 4.172 . 0 0 "[ . 1 . 2]" 1
347 1 30 ARG HA 1 31 SER H 3.400 . 3.400 2.157 2.146 2.174 . 0 0 "[ . 1 . 2]" 1
348 1 30 ARG QB 1 31 SER H 5.000 . 5.000 3.645 3.191 3.829 . 0 0 "[ . 1 . 2]" 1
349 1 31 SER H 1 31 SER QB 3.400 . 3.400 2.387 2.037 2.743 . 0 0 "[ . 1 . 2]" 1
350 1 31 SER H 1 32 THR H 5.000 . 5.000 4.637 4.597 4.657 . 0 0 "[ . 1 . 2]" 1
351 1 31 SER H 1 36 LYS H 5.000 . 5.000 3.421 2.982 3.693 . 0 0 "[ . 1 . 2]" 1
352 1 31 SER H 1 36 LYS QB 5.000 . 5.000 4.497 4.466 4.520 . 0 0 "[ . 1 . 2]" 1
353 1 31 SER H 1 37 VAL HA 3.400 . 3.400 2.930 2.791 3.107 . 0 0 "[ . 1 . 2]" 1
354 1 31 SER H 1 37 VAL QG 6.000 . 6.000 3.435 2.793 4.242 . 0 0 "[ . 1 . 2]" 1
355 1 31 SER H 1 38 HIS H 5.000 . 5.000 4.521 4.262 4.767 . 0 0 "[ . 1 . 2]" 1
356 1 12 VAL QG 1 32 THR H 6.740 . 6.740 4.096 3.751 4.444 . 0 0 "[ . 1 . 2]" 1
357 1 13 SER QB 1 32 THR MG 6.000 . 6.000 3.554 2.288 4.453 . 0 0 "[ . 1 . 2]" 1
358 1 13 SER H 1 32 THR H 5.000 . 5.000 4.648 4.338 5.017 0.017 1 0 "[ . 1 . 2]" 1
359 1 14 GLY QA 1 32 THR MG 6.000 . 6.000 2.835 2.233 3.314 . 0 0 "[ . 1 . 2]" 1
360 1 31 SER QB 1 32 THR H 3.400 . 3.400 2.812 2.532 3.034 . 0 0 "[ . 1 . 2]" 1
361 1 32 THR HA 1 32 THR HB 2.800 . 2.800 2.706 2.497 2.813 0.013 4 0 "[ . 1 . 2]" 1
362 1 32 THR HA 1 32 THR MG 3.360 . 3.360 2.112 1.990 2.276 . 0 0 "[ . 1 . 2]" 1
363 1 32 THR H 1 32 THR MG 4.080 . 4.080 3.071 2.485 3.398 . 0 0 "[ . 1 . 2]" 1
364 1 32 THR H 1 33 ASP H 3.400 . 3.400 2.440 2.059 2.779 . 0 0 "[ . 1 . 2]" 1
365 1 12 VAL QG 1 33 ASP H 6.000 . 6.000 4.388 3.927 4.468 . 0 0 "[ . 1 . 2]" 1
366 1 31 SER QB 1 33 ASP H 5.000 . 5.000 2.788 2.306 3.536 . 0 0 "[ . 1 . 2]" 1
367 1 32 THR HA 1 33 ASP H 3.400 . 3.400 3.470 3.437 3.515 0.115 18 0 "[ . 1 . 2]" 1
368 1 32 THR HB 1 33 ASP H 3.400 . 3.400 3.391 3.221 3.411 0.011 10 0 "[ . 1 . 2]" 1
369 1 32 THR MG 1 33 ASP H 6.000 . 6.000 4.199 3.823 4.349 . 0 0 "[ . 1 . 2]" 1
370 1 33 ASP H 1 33 ASP HA 2.800 . 2.800 2.875 2.831 2.918 0.118 15 0 "[ . 1 . 2]" 1
371 1 33 ASP H 1 33 ASP QB 3.140 . 3.140 2.412 2.151 2.818 . 0 0 "[ . 1 . 2]" 1
372 1 33 ASP H 1 34 GLY H 2.800 . 2.800 2.261 1.903 2.530 . 0 0 "[ . 1 . 2]" 1
373 1 33 ASP HA 1 34 GLY H 3.400 . 3.400 3.332 2.840 3.465 0.065 8 0 "[ . 1 . 2]" 1
374 1 33 ASP QB 1 34 GLY H 5.610 . 5.610 3.173 2.806 3.839 . 0 0 "[ . 1 . 2]" 1
375 1 34 GLY H 1 34 GLY QA 2.800 . 2.800 2.266 2.223 2.385 . 0 0 "[ . 1 . 2]" 1
376 1 34 GLY H 1 35 ASP H 2.800 . 2.800 2.308 1.934 2.548 . 0 0 "[ . 1 . 2]" 1
377 1 34 GLY H 1 35 ASP HA 5.000 . 5.000 4.783 4.106 5.032 0.032 14 0 "[ . 1 . 2]" 1
378 1 34 GLY H 1 36 LYS H 5.000 . 5.000 3.795 3.504 4.376 . 0 0 "[ . 1 . 2]" 1
379 1 31 SER H 1 35 ASP H 5.000 . 5.000 4.888 4.659 5.044 0.044 16 0 "[ . 1 . 2]" 1
380 1 33 ASP HA 1 35 ASP H 5.000 . 5.000 4.300 3.566 4.816 . 0 0 "[ . 1 . 2]" 1
381 1 34 GLY QA 1 35 ASP H 3.400 . 3.400 2.884 2.814 2.930 . 0 0 "[ . 1 . 2]" 1
382 1 35 ASP H 1 35 ASP HA 2.800 . 2.800 2.637 2.263 2.918 0.118 8 0 "[ . 1 . 2]" 1
383 1 35 ASP H 1 35 ASP QB 3.140 . 3.140 2.603 2.205 2.880 . 0 0 "[ . 1 . 2]" 1
384 1 29 TRP HZ3 1 36 LYS H 6.000 . 6.000 5.159 4.726 5.634 . 0 0 "[ . 1 . 2]" 1
385 1 31 SER QB 1 36 LYS H 5.000 . 5.000 2.470 1.813 3.573 . 0 0 "[ . 1 . 2]" 1
386 1 34 GLY QA 1 36 LYS H 5.000 . 5.000 3.539 3.173 4.458 . 0 0 "[ . 1 . 2]" 1
387 1 35 ASP HA 1 36 LYS H 3.400 . 3.400 3.204 2.433 3.499 0.099 9 0 "[ . 1 . 2]" 1
388 1 35 ASP QB 1 36 LYS H 5.610 . 5.610 3.431 2.608 4.031 . 0 0 "[ . 1 . 2]" 1
389 1 36 LYS HA 1 36 LYS QD 5.000 . 5.000 4.345 3.713 4.505 . 0 0 "[ . 1 . 2]" 1
390 1 36 LYS H 1 36 LYS QB 3.400 . 3.400 2.998 2.786 3.066 . 0 0 "[ . 1 . 2]" 1
391 1 36 LYS H 1 36 LYS QG 5.000 . 5.000 2.508 2.069 3.580 . 0 0 "[ . 1 . 2]" 1
392 1 36 LYS HA 1 37 VAL HB 5.000 . 5.000 4.738 4.472 5.037 0.037 5 0 "[ . 1 . 2]" 1
393 1 36 LYS H 1 37 VAL H 5.000 . 5.000 4.410 4.231 4.518 . 0 0 "[ . 1 . 2]" 1
394 1 36 LYS H 1 37 VAL QG 6.000 . 6.000 4.091 3.652 4.476 . 0 0 "[ . 1 . 2]" 1
395 1 29 TRP HE3 1 37 VAL H 5.000 . 5.000 4.986 4.870 5.073 0.073 9 0 "[ . 1 . 2]" 1
396 1 29 TRP HZ3 1 37 VAL H 5.000 . 5.000 5.036 5.013 5.083 0.083 4 0 "[ . 1 . 2]" 1
397 1 30 ARG QB 1 37 VAL QG 6.740 . 6.740 2.546 2.020 3.133 . 0 0 "[ . 1 . 2]" 1
398 1 36 LYS HA 1 37 VAL H 2.800 . 2.800 2.327 2.172 2.465 . 0 0 "[ . 1 . 2]" 1
399 1 36 LYS QB 1 37 VAL H 3.400 . 3.400 2.593 2.245 3.070 . 0 0 "[ . 1 . 2]" 1
400 1 36 LYS QG 1 37 VAL H 5.000 . 5.000 3.500 2.327 3.986 . 0 0 "[ . 1 . 2]" 1
401 1 37 VAL H 1 37 VAL QG 3.770 . 3.770 2.554 2.248 2.799 . 0 0 "[ . 1 . 2]" 1
402 1 37 VAL H 1 38 HIS H 5.000 . 5.000 4.171 4.073 4.364 . 0 0 "[ . 1 . 2]" 1
403 1 28 THR MG 1 38 HIS H 6.000 . 6.000 3.800 3.202 4.998 . 0 0 "[ . 1 . 2]" 1
404 1 29 TRP HE3 1 38 HIS H 3.400 . 3.400 2.471 2.134 3.129 . 0 0 "[ . 1 . 2]" 1
405 1 29 TRP QB 1 38 HIS H 5.000 . 5.000 2.721 2.412 3.350 . 0 0 "[ . 1 . 2]" 1
406 1 29 TRP HZ3 1 38 HIS H 5.000 . 5.000 4.525 4.139 5.015 0.015 9 0 "[ . 1 . 2]" 1
407 1 30 ARG QG 1 38 HIS H 6.000 . 6.000 4.712 3.488 5.294 . 0 0 "[ . 1 . 2]" 1
408 1 30 ARG QB 1 38 HIS H 5.600 . 5.600 4.885 4.406 5.044 . 0 0 "[ . 1 . 2]" 1
409 1 37 VAL HA 1 38 HIS H 2.800 . 2.800 2.179 2.157 2.256 . 0 0 "[ . 1 . 2]" 1
410 1 37 VAL HB 1 38 HIS H 5.000 . 5.000 4.002 3.463 4.262 . 0 0 "[ . 1 . 2]" 1
411 1 37 VAL QG 1 38 HIS H 4.580 . 4.580 2.608 2.186 2.853 . 0 0 "[ . 1 . 2]" 1
412 1 38 HIS H 1 38 HIS QB 3.400 . 3.400 2.486 2.345 2.678 . 0 0 "[ . 1 . 2]" 1
413 1 38 HIS H 1 39 THR HA 5.000 . 5.000 4.884 4.536 5.029 0.029 6 0 "[ . 1 . 2]" 1
414 1 38 HIS HD1 1 40 VAL QG 6.750 . 6.750 3.009 2.271 4.672 . 0 0 "[ . 1 . 2]" 1
415 1 38 HIS HD1 1 89 PHE QE 6.000 . 6.000 3.797 3.253 4.662 . 0 0 "[ . 1 . 2]" 1
416 1 38 HIS HD1 1 89 PHE HZ 5.000 . 5.000 4.592 4.210 4.998 . 0 0 "[ . 1 . 2]" 1
417 1 26 GLU QB 1 39 THR MG 6.000 . 6.000 3.268 3.065 3.434 . 0 0 "[ . 1 . 2]" 1
418 1 28 THR HB 1 39 THR HA 3.400 . 3.400 3.582 3.561 3.604 0.204 3 0 "[ . 1 . 2]" 1
419 1 28 THR HB 1 39 THR MG 6.000 . 6.000 3.726 3.101 4.171 . 0 0 "[ . 1 . 2]" 1
420 1 29 TRP HE3 1 39 THR H 6.000 . 6.000 6.086 6.043 6.116 0.116 13 0 "[ . 1 . 2]" 1
421 1 38 HIS H 1 39 THR H 5.000 . 5.000 4.163 3.942 4.450 . 0 0 "[ . 1 . 2]" 1
422 1 38 HIS HA 1 39 THR H 3.400 . 3.400 2.125 2.102 2.259 . 0 0 "[ . 1 . 2]" 1
423 1 38 HIS QB 1 39 THR H 5.000 . 5.000 3.744 2.871 3.882 . 0 0 "[ . 1 . 2]" 1
424 1 39 THR HA 1 39 THR MG 3.360 . 3.360 2.385 2.235 2.473 . 0 0 "[ . 1 . 2]" 1
425 1 39 THR H 1 39 THR HB 2.800 . 2.800 2.491 2.377 2.836 0.036 9 0 "[ . 1 . 2]" 1
426 1 39 THR H 1 40 VAL H 5.000 . 5.000 4.242 3.922 4.298 . 0 0 "[ . 1 . 2]" 1
427 1 27 LEU H 1 40 VAL H 5.000 . 5.000 3.848 3.775 3.928 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU QB 1 40 VAL H 5.610 . 5.610 4.859 4.560 5.026 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU QD 1 40 VAL H 6.740 . 6.740 2.779 2.325 3.468 . 0 0 "[ . 1 . 2]" 1
430 1 38 HIS HD1 1 40 VAL MG2 6.000 . 6.000 3.034 2.278 4.754 . 0 0 "[ . 1 . 2]" 1
431 1 39 THR HA 1 40 VAL H 2.800 . 2.800 2.198 2.178 2.216 . 0 0 "[ . 1 . 2]" 1
432 1 39 THR HB 1 40 VAL H 5.000 . 5.000 4.396 4.302 4.448 . 0 0 "[ . 1 . 2]" 1
433 1 39 THR HA 1 40 VAL MG2 6.000 . 6.000 3.746 3.636 3.890 . 0 0 "[ . 1 . 2]" 1
434 1 40 VAL H 1 40 VAL HB 3.400 . 3.400 2.632 2.596 2.768 . 0 0 "[ . 1 . 2]" 1
435 1 40 VAL H 1 41 VAL H 5.000 . 5.000 4.319 4.266 4.379 . 0 0 "[ . 1 . 2]" 1
436 1 40 VAL MG2 1 87 HIS HE1 6.000 . 6.000 4.229 1.841 5.001 . 0 0 "[ . 1 . 2]" 1
437 1 40 VAL MG2 1 87 HIS HD2 6.000 . 6.000 4.378 3.179 5.002 . 0 0 "[ . 1 . 2]" 1
438 1 40 VAL MG1 1 87 HIS HE1 6.000 . 6.000 3.811 2.095 5.000 . 0 0 "[ . 1 . 2]" 1
439 1 40 VAL MG1 1 87 HIS HD2 6.000 . 6.000 3.883 2.493 4.512 . 0 0 "[ . 1 . 2]" 1
440 1 40 VAL MG2 1 89 PHE HZ 6.000 . 6.000 4.990 4.892 5.022 . 0 0 "[ . 1 . 2]" 1
441 1 40 VAL HB 1 41 VAL H 5.000 . 5.000 4.299 4.166 4.328 . 0 0 "[ . 1 . 2]" 1
442 1 40 VAL QG 1 41 VAL H 3.770 . 3.770 2.805 2.799 2.812 . 0 0 "[ . 1 . 2]" 1
443 1 41 VAL H 1 42 LEU H 5.000 . 5.000 4.247 4.175 4.317 . 0 0 "[ . 1 . 2]" 1
444 1 41 VAL H 1 44 THR MG 6.000 . 6.000 4.798 3.807 5.004 . 0 0 "[ . 1 . 2]" 1
445 1 18 ILE HA 1 42 LEU QD 4.580 . 4.580 3.432 3.415 3.449 . 0 0 "[ . 1 . 2]" 1
446 1 24 PRO QB 1 42 LEU QB 5.610 . 5.610 4.521 4.504 4.536 . 0 0 "[ . 1 . 2]" 1
447 1 25 ALA MB 1 42 LEU QD 4.530 . 4.530 2.807 2.801 2.813 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLU HA 1 42 LEU H 5.000 . 5.000 1.941 1.817 2.045 . 0 0 "[ . 1 . 2]" 1
449 1 41 VAL HA 1 42 LEU H 2.800 . 2.800 2.132 2.091 2.163 . 0 0 "[ . 1 . 2]" 1
450 1 41 VAL QG 1 42 LEU H 6.740 . 6.740 2.947 2.783 3.052 . 0 0 "[ . 1 . 2]" 1
451 1 42 LEU HA 1 42 LEU QD 3.770 . 3.770 2.454 2.102 2.821 . 0 0 "[ . 1 . 2]" 1
452 1 42 LEU H 1 42 LEU QB 3.820 . 3.820 2.297 2.154 2.524 . 0 0 "[ . 1 . 2]" 1
453 1 42 LEU H 1 43 SER H 5.000 . 5.000 2.768 2.731 2.813 . 0 0 "[ . 1 . 2]" 1
454 1 42 LEU HG 1 111 TYR HE2 6.750 . 6.750 6.657 6.088 6.757 0.007 7 0 "[ . 1 . 2]" 1
455 1 24 PRO QB 1 43 SER H 5.000 . 5.000 3.030 2.889 3.173 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLU QB 1 43 SER H 3.400 . 3.400 3.124 3.105 3.173 . 0 0 "[ . 1 . 2]" 1
457 1 43 SER H 1 43 SER QB 3.400 . 3.400 2.110 2.061 2.185 . 0 0 "[ . 1 . 2]" 1
458 1 43 SER H 1 44 THR H 3.400 . 3.400 2.710 2.577 2.875 . 0 0 "[ . 1 . 2]" 1
459 1 43 SER H 1 44 THR MG 6.000 . 6.000 4.732 3.911 4.998 . 0 0 "[ . 1 . 2]" 1
460 1 43 SER H 1 45 ILE H 3.400 . 3.400 3.541 3.521 3.568 0.168 10 0 "[ . 1 . 2]" 1
461 1 43 SER HA 1 107 ILE MG 6.000 . 6.000 5.002 4.930 5.014 . 0 0 "[ . 1 . 2]" 1
462 1 43 SER H 1 111 TYR QE 5.600 . 5.600 4.451 3.648 4.999 . 0 0 "[ . 1 . 2]" 1
463 1 43 SER HA 1 111 TYR HE2 5.000 . 5.000 3.623 2.634 4.500 . 0 0 "[ . 1 . 2]" 1
464 1 43 SER HA 1 111 TYR HD2 5.000 . 5.000 2.929 2.194 4.834 . 0 0 "[ . 1 . 2]" 1
465 1 41 VAL HB 1 44 THR MG 6.000 . 6.000 3.312 1.886 4.800 . 0 0 "[ . 1 . 2]" 1
466 1 42 LEU H 1 44 THR H 5.000 . 5.000 4.681 4.493 5.005 0.005 17 0 "[ . 1 . 2]" 1
467 1 43 SER HA 1 44 THR H 3.400 . 3.400 3.513 3.498 3.524 0.124 15 0 "[ . 1 . 2]" 1
468 1 43 SER QB 1 44 THR H 5.000 . 5.000 2.594 2.191 3.105 . 0 0 "[ . 1 . 2]" 1
469 1 44 THR HA 1 44 THR MG 3.360 . 3.360 2.333 2.187 2.576 . 0 0 "[ . 1 . 2]" 1
470 1 44 THR HA 1 44 THR HB 2.800 . 2.800 2.581 2.379 2.668 . 0 0 "[ . 1 . 2]" 1
471 1 44 THR H 1 44 THR HB 3.400 . 3.400 3.498 3.466 3.548 0.148 3 0 "[ . 1 . 2]" 1
472 1 44 THR H 1 44 THR MG 3.360 . 3.360 2.583 1.938 2.812 . 0 0 "[ . 1 . 2]" 1
473 1 44 THR H 1 45 ILE H 3.400 . 3.400 2.467 2.337 2.564 . 0 0 "[ . 1 . 2]" 1
474 1 44 THR H 1 45 ILE HB 5.000 . 5.000 4.872 4.734 4.979 . 0 0 "[ . 1 . 2]" 1
475 1 44 THR HB 1 65 LYS QD 6.250 . 6.250 4.844 1.999 5.588 . 0 0 "[ . 1 . 2]" 1
476 1 40 VAL QG 1 45 ILE H 6.000 . 6.000 4.459 4.390 4.489 . 0 0 "[ . 1 . 2]" 1
477 1 43 SER HA 1 45 ILE H 5.000 . 5.000 3.930 3.835 4.086 . 0 0 "[ . 1 . 2]" 1
478 1 44 THR MG 1 45 ILE H 6.000 . 6.000 4.175 3.849 4.310 . 0 0 "[ . 1 . 2]" 1
479 1 44 THR HA 1 45 ILE H 5.000 . 5.000 3.443 3.424 3.478 . 0 0 "[ . 1 . 2]" 1
480 1 44 THR HB 1 45 ILE H 5.000 . 5.000 3.851 3.704 4.187 . 0 0 "[ . 1 . 2]" 1
481 1 45 ILE H 1 45 ILE HB 2.800 . 2.800 2.594 2.473 2.744 . 0 0 "[ . 1 . 2]" 1
482 1 45 ILE H 1 45 ILE QG 5.000 . 5.000 2.189 2.022 2.330 . 0 0 "[ . 1 . 2]" 1
483 1 45 ILE H 1 46 ASP H 5.000 . 5.000 4.310 3.015 4.581 . 0 0 "[ . 1 . 2]" 1
484 1 45 ILE MG 1 62 LEU HA 6.000 . 6.000 3.017 2.448 3.712 . 0 0 "[ . 1 . 2]" 1
485 1 45 ILE H 1 64 GLY QA 5.000 . 5.000 4.170 3.832 4.477 . 0 0 "[ . 1 . 2]" 1
486 1 45 ILE HB 1 108 ILE MD 6.000 . 6.000 3.392 2.859 5.011 . 0 0 "[ . 1 . 2]" 1
487 1 45 ILE HA 1 46 ASP H 3.400 . 3.400 2.245 2.138 3.511 0.111 3 0 "[ . 1 . 2]" 1
488 1 45 ILE MG 1 46 ASP H 4.080 . 4.080 2.837 2.351 3.400 . 0 0 "[ . 1 . 2]" 1
489 1 45 ILE MD 1 46 ASP H 6.000 . 6.000 4.020 3.504 5.012 . 0 0 "[ . 1 . 2]" 1
490 1 46 ASP H 1 65 LYS H 5.000 . 5.000 3.955 2.061 4.826 . 0 0 "[ . 1 . 2]" 1
491 1 46 ASP QB 1 65 LYS HA 5.600 . 5.600 3.272 1.923 4.994 . 0 0 "[ . 1 . 2]" 1
492 1 46 ASP HA 1 108 ILE QG 5.600 . 5.600 4.745 3.623 5.002 . 0 0 "[ . 1 . 2]" 1
493 1 46 ASP HA 1 108 ILE MG 4.080 . 4.080 2.685 2.034 3.398 . 0 0 "[ . 1 . 2]" 1
494 1 45 ILE HA 1 47 LYS H 5.000 . 5.000 3.490 3.146 3.790 . 0 0 "[ . 1 . 2]" 1
495 1 45 ILE MG 1 47 LYS H 4.080 . 4.080 2.184 1.810 2.501 . 0 0 "[ . 1 . 2]" 1
496 1 46 ASP H 1 47 LYS H 3.400 . 3.400 2.256 1.932 2.853 . 0 0 "[ . 1 . 2]" 1
497 1 46 ASP HA 1 47 LYS H 5.000 . 5.000 3.364 3.261 3.479 . 0 0 "[ . 1 . 2]" 1
498 1 46 ASP QB 1 47 LYS H 3.820 . 3.820 3.217 2.881 3.428 . 0 0 "[ . 1 . 2]" 1
499 1 47 LYS HA 1 47 LYS QE 5.000 . 5.000 4.290 3.978 4.456 . 0 0 "[ . 1 . 2]" 1
500 1 47 LYS H 1 47 LYS QB 3.400 . 3.400 2.512 2.314 2.802 . 0 0 "[ . 1 . 2]" 1
501 1 47 LYS H 1 47 LYS QD 5.000 . 5.000 3.715 3.251 4.398 . 0 0 "[ . 1 . 2]" 1
502 1 47 LYS H 1 47 LYS QG 5.000 . 5.000 4.118 3.804 4.298 . 0 0 "[ . 1 . 2]" 1
503 1 47 LYS H 1 48 LEU H 5.000 . 5.000 4.407 4.311 4.515 . 0 0 "[ . 1 . 2]" 1
504 1 47 LYS H 1 62 LEU HA 5.000 . 5.000 4.760 4.314 5.021 0.021 17 0 "[ . 1 . 2]" 1
505 1 47 LYS QE 1 63 ILE MD 6.000 . 6.000 3.938 2.604 4.452 . 0 0 "[ . 1 . 2]" 1
506 1 47 LYS H 1 108 ILE MD 6.000 . 6.000 3.998 3.236 4.582 . 0 0 "[ . 1 . 2]" 1
507 1 47 LYS H 1 108 ILE QG 5.600 . 5.600 4.847 4.298 5.004 . 0 0 "[ . 1 . 2]" 1
508 1 47 LYS HA 1 48 LEU QB 5.610 . 5.610 3.941 3.800 4.190 . 0 0 "[ . 1 . 2]" 1
509 1 47 LYS QB 1 48 LEU H 3.400 . 3.400 3.032 2.905 3.071 . 0 0 "[ . 1 . 2]" 1
510 1 47 LYS QG 1 48 LEU H 3.400 . 3.400 2.934 2.522 3.041 . 0 0 "[ . 1 . 2]" 1
511 1 48 LEU H 1 49 GLN H 5.000 . 5.000 4.148 3.953 4.370 . 0 0 "[ . 1 . 2]" 1
512 1 48 LEU QD 1 62 LEU HA 6.750 . 6.750 3.646 2.674 4.371 . 0 0 "[ . 1 . 2]" 1
513 1 48 LEU H 1 63 ILE H 5.000 . 5.000 4.673 4.319 5.023 0.023 4 0 "[ . 1 . 2]" 1
514 1 48 LEU QD 1 101 LYS HA 4.590 . 4.590 2.886 2.329 3.416 . 0 0 "[ . 1 . 2]" 1
515 1 48 LEU QD 1 105 GLN HA 4.590 . 4.590 2.171 1.723 2.579 0.077 8 0 "[ . 1 . 2]" 1
516 1 48 LEU QD 1 105 GLN QB 5.140 . 5.140 2.429 1.797 3.200 0.003 18 0 "[ . 1 . 2]" 1
517 1 48 LEU QB 1 108 ILE MD 4.590 . 4.590 2.659 1.622 3.412 0.178 9 0 "[ . 1 . 2]" 1
518 1 48 LEU HA 1 49 GLN H 2.800 . 2.800 2.197 2.133 2.377 . 0 0 "[ . 1 . 2]" 1
519 1 48 LEU QB 1 49 GLN H 5.610 . 5.610 3.607 2.666 3.884 . 0 0 "[ . 1 . 2]" 1
520 1 49 GLN H 1 49 GLN QG 5.000 . 5.000 3.112 2.567 3.921 . 0 0 "[ . 1 . 2]" 1
521 1 49 GLN H 1 49 GLN QB 3.400 . 3.400 2.858 2.444 3.065 . 0 0 "[ . 1 . 2]" 1
522 1 49 GLN H 1 50 ALA H 5.000 . 5.000 4.362 4.260 4.481 . 0 0 "[ . 1 . 2]" 1
523 1 49 GLN H 1 60 LEU HA 5.000 . 5.000 4.559 4.201 5.017 0.017 17 0 "[ . 1 . 2]" 1
524 1 49 GLN H 1 61 ARG H 5.000 . 5.000 2.830 2.510 3.314 . 0 0 "[ . 1 . 2]" 1
525 1 49 GLN H 1 61 ARG QG 5.000 . 5.000 4.179 3.506 4.474 . 0 0 "[ . 1 . 2]" 1
526 1 49 GLN H 1 62 LEU QD 4.580 . 4.580 3.252 2.452 3.431 . 0 0 "[ . 1 . 2]" 1
527 1 49 GLN H 1 63 ILE MD 6.000 . 6.000 4.836 4.300 5.015 . 0 0 "[ . 1 . 2]" 1
528 1 49 GLN HA 1 50 ALA H 5.000 . 5.000 2.203 2.130 2.376 . 0 0 "[ . 1 . 2]" 1
529 1 49 GLN QB 1 50 ALA H 3.400 . 3.400 2.862 2.372 3.065 . 0 0 "[ . 1 . 2]" 1
530 1 50 ALA H 1 51 THR H 5.000 . 5.000 4.441 4.303 4.519 . 0 0 "[ . 1 . 2]" 1
531 1 50 ALA HA 1 60 LEU HA 2.800 . 2.800 2.378 2.111 2.594 . 0 0 "[ . 1 . 2]" 1
532 1 50 ALA MB 1 60 LEU HA 6.000 . 6.000 3.384 2.930 3.641 . 0 0 "[ . 1 . 2]" 1
533 1 50 ALA MB 1 97 MET ME 4.890 . 4.890 2.171 1.798 2.942 0.002 4 0 "[ . 1 . 2]" 1
534 1 50 ALA MB 1 101 LYS QE 6.750 . 6.750 1.704 1.614 2.084 0.186 19 0 "[ . 1 . 2]" 1
535 1 50 ALA MB 1 101 LYS QD 4.600 . 4.600 2.775 1.854 3.192 . 0 0 "[ . 1 . 2]" 1
536 1 50 ALA HA 1 51 THR H 2.800 . 2.800 2.360 2.202 2.466 . 0 0 "[ . 1 . 2]" 1
537 1 50 ALA MB 1 51 THR H 3.360 . 3.360 2.623 2.381 2.895 . 0 0 "[ . 1 . 2]" 1
538 1 51 THR H 1 59 MET HA 5.000 . 5.000 5.033 4.957 5.088 0.088 5 0 "[ . 1 . 2]" 1
539 1 51 THR H 1 60 LEU HA 5.000 . 5.000 3.998 3.194 4.381 . 0 0 "[ . 1 . 2]" 1
540 1 51 THR H 1 60 LEU QD 5.490 2.700 5.490 3.338 2.739 4.089 . 0 0 "[ . 1 . 2]" 1
541 1 51 THR H 1 97 MET ME 6.000 . 6.000 2.001 1.776 2.718 0.024 1 0 "[ . 1 . 2]" 1
542 1 51 THR HB 1 52 PRO QD 5.000 . 5.000 3.191 2.373 3.896 . 0 0 "[ . 1 . 2]" 1
543 1 52 PRO HA 1 53 ALA H 3.400 . 3.400 2.383 2.321 2.415 . 0 0 "[ . 1 . 2]" 1
544 1 53 ALA H 1 54 SER H 5.000 . 5.000 3.044 2.618 3.959 . 0 0 "[ . 1 . 2]" 1
545 1 52 PRO HA 1 54 SER H 5.000 . 5.000 4.018 3.812 5.012 0.012 1 0 "[ . 1 . 2]" 1
546 1 52 PRO QB 1 54 SER H 5.000 . 5.000 2.739 2.124 4.261 . 0 0 "[ . 1 . 2]" 1
547 1 53 ALA MB 1 54 SER HA 6.000 . 6.000 3.987 3.646 4.156 . 0 0 "[ . 1 . 2]" 1
548 1 53 ALA HA 1 54 SER H 3.400 . 3.400 3.376 3.221 3.521 0.121 9 0 "[ . 1 . 2]" 1
549 1 54 SER HA 1 54 SER QB 2.800 . 2.800 2.361 2.333 2.403 . 0 0 "[ . 1 . 2]" 1
550 1 54 SER H 1 54 SER QB 3.400 . 3.400 2.389 2.194 2.502 . 0 0 "[ . 1 . 2]" 1
551 1 52 PRO QG 1 55 SER H 5.000 . 5.000 3.705 2.950 4.353 . 0 0 "[ . 1 . 2]" 1
552 1 52 PRO QB 1 55 SER H 5.600 . 5.600 4.570 3.921 5.004 . 0 0 "[ . 1 . 2]" 1
553 1 53 ALA MB 1 55 SER H 6.000 . 6.000 4.429 3.923 4.543 . 0 0 "[ . 1 . 2]" 1
554 1 54 SER HA 1 55 SER H 3.400 . 3.400 3.439 3.429 3.444 0.044 2 0 "[ . 1 . 2]" 1
555 1 54 SER QB 1 55 SER H 2.800 . 2.800 2.623 2.613 2.634 . 0 0 "[ . 1 . 2]" 1
556 1 55 SER HA 1 55 SER QB 2.800 . 2.800 2.462 2.282 2.528 . 0 0 "[ . 1 . 2]" 1
557 1 55 SER H 1 55 SER QB 2.800 . 2.800 2.538 2.479 2.593 . 0 0 "[ . 1 . 2]" 1
558 1 55 SER H 1 56 GLU H 5.000 . 5.000 4.314 3.941 4.459 . 0 0 "[ . 1 . 2]" 1
559 1 55 SER H 1 57 LYS H 5.000 . 5.000 4.524 4.009 5.033 0.033 1 0 "[ . 1 . 2]" 1
560 1 55 SER HA 1 56 GLU H 2.800 . 2.800 2.351 2.161 2.540 . 0 0 "[ . 1 . 2]" 1
561 1 55 SER QB 1 56 GLU H 5.000 . 5.000 3.055 2.239 3.998 . 0 0 "[ . 1 . 2]" 1
562 1 56 GLU H 1 56 GLU QG 5.000 . 5.000 2.896 1.977 4.040 . 0 0 "[ . 1 . 2]" 1
563 1 56 GLU H 1 56 GLU QB 3.400 . 3.400 2.439 2.136 2.763 . 0 0 "[ . 1 . 2]" 1
564 1 55 SER HA 1 57 LYS H 5.000 . 5.000 3.811 3.142 4.235 . 0 0 "[ . 1 . 2]" 1
565 1 55 SER QB 1 57 LYS H 5.000 . 5.000 2.573 2.095 3.733 . 0 0 "[ . 1 . 2]" 1
566 1 56 GLU H 1 57 LYS H 2.800 . 2.800 2.655 2.344 2.846 0.046 13 0 "[ . 1 . 2]" 1
567 1 56 GLU HA 1 57 LYS H 3.400 . 3.400 3.201 2.876 3.430 0.030 17 0 "[ . 1 . 2]" 1
568 1 56 GLU QG 1 57 LYS H 5.000 . 5.000 4.093 2.456 4.453 . 0 0 "[ . 1 . 2]" 1
569 1 56 GLU QB 1 57 LYS H 5.000 . 5.000 3.460 2.935 4.017 . 0 0 "[ . 1 . 2]" 1
570 1 57 LYS H 1 57 LYS HA 2.800 . 2.800 2.820 2.709 2.912 0.112 8 0 "[ . 1 . 2]" 1
571 1 57 LYS H 1 57 LYS QD 2.800 . 2.800 2.134 1.821 2.512 . 0 0 "[ . 1 . 2]" 1
572 1 57 LYS HA 1 58 MET H 3.400 . 3.400 2.511 2.148 3.248 . 0 0 "[ . 1 . 2]" 1
573 1 58 MET QG 1 92 ASN HA 3.130 . 3.130 2.626 2.111 2.808 . 0 0 "[ . 1 . 2]" 1
574 1 58 MET ME 1 92 ASN QB 4.590 . 4.590 3.011 2.606 3.410 . 0 0 "[ . 1 . 2]" 1
575 1 58 MET ME 1 93 ASN HA 4.080 . 4.080 3.438 3.419 3.462 . 0 0 "[ . 1 . 2]" 1
576 1 51 THR MG 1 59 MET H 6.000 . 6.000 2.460 1.777 3.428 0.023 14 0 "[ . 1 . 2]" 1
577 1 59 MET QG 1 88 MET ME 6.000 . 6.000 1.804 1.682 2.317 0.118 17 0 "[ . 1 . 2]" 1
578 1 59 MET QG 1 90 SER HA 5.000 . 5.000 4.065 2.383 4.471 . 0 0 "[ . 1 . 2]" 1
579 1 59 MET QB 1 90 SER HA 5.000 . 5.000 2.243 1.860 3.278 . 0 0 "[ . 1 . 2]" 1
580 1 59 MET HA 1 91 PHE H 5.000 . 5.000 2.849 2.622 3.296 . 0 0 "[ . 1 . 2]" 1
581 1 50 ALA HA 1 60 LEU QD 4.580 . 4.580 2.083 1.898 2.514 . 0 0 "[ . 1 . 2]" 1
582 1 50 ALA HA 1 60 LEU HG 5.000 . 5.000 4.037 2.838 4.631 . 0 0 "[ . 1 . 2]" 1
583 1 50 ALA MB 1 60 LEU QD 4.530 . 4.530 1.778 1.688 1.931 0.112 17 0 "[ . 1 . 2]" 1
584 1 50 ALA HA 1 60 LEU MD1 6.000 . 6.000 4.639 4.278 4.897 . 0 0 "[ . 1 . 2]" 1
585 1 59 MET HA 1 60 LEU H 2.800 . 2.800 2.288 2.186 2.482 . 0 0 "[ . 1 . 2]" 1
586 1 59 MET QG 1 60 LEU H 5.000 . 5.000 3.786 3.282 4.464 . 0 0 "[ . 1 . 2]" 1
587 1 59 MET QB 1 60 LEU H 5.000 . 5.000 2.665 2.106 2.946 . 0 0 "[ . 1 . 2]" 1
588 1 60 LEU H 1 60 LEU QB 3.820 . 3.820 2.508 2.331 2.648 . 0 0 "[ . 1 . 2]" 1
589 1 60 LEU H 1 61 ARG H 5.000 . 5.000 4.362 4.173 4.505 . 0 0 "[ . 1 . 2]" 1
590 1 60 LEU H 1 89 PHE QB 5.000 . 5.000 2.776 2.650 2.908 . 0 0 "[ . 1 . 2]" 1
591 1 60 LEU H 1 90 SER HA 5.000 . 5.000 3.341 3.063 3.720 . 0 0 "[ . 1 . 2]" 1
592 1 60 LEU H 1 91 PHE QD 5.610 . 5.610 4.382 4.034 4.847 . 0 0 "[ . 1 . 2]" 1
593 1 60 LEU H 1 91 PHE QE 5.610 . 5.610 2.979 2.433 3.660 . 0 0 "[ . 1 . 2]" 1
594 1 60 LEU HA 1 91 PHE QE 5.600 . 5.600 4.957 4.696 5.014 . 0 0 "[ . 1 . 2]" 1
595 1 60 LEU MD1 1 91 PHE QE 6.750 . 6.750 3.068 2.798 3.360 . 0 0 "[ . 1 . 2]" 1
596 1 60 LEU MD2 1 91 PHE HZ 6.000 . 6.000 3.830 3.477 4.577 . 0 0 "[ . 1 . 2]" 1
597 1 60 LEU QD 1 100 ILE MG 5.500 . 5.500 1.733 1.643 1.991 0.157 19 0 "[ . 1 . 2]" 1
598 1 60 LEU QD 1 101 LYS HA 4.580 . 4.580 2.510 2.024 3.138 . 0 0 "[ . 1 . 2]" 1
599 1 60 LEU QD 1 101 LYS QG 4.580 . 4.580 2.446 1.868 3.058 . 0 0 "[ . 1 . 2]" 1
600 1 49 GLN HA 1 61 ARG H 5.000 . 5.000 4.566 4.110 4.799 . 0 0 "[ . 1 . 2]" 1
601 1 49 GLN QB 1 61 ARG H 5.600 . 5.600 3.371 2.263 4.542 . 0 0 "[ . 1 . 2]" 1
602 1 50 ALA HA 1 61 ARG H 5.000 . 5.000 3.526 2.972 3.884 . 0 0 "[ . 1 . 2]" 1
603 1 60 LEU HA 1 61 ARG H 2.800 . 2.800 2.201 2.158 2.437 . 0 0 "[ . 1 . 2]" 1
604 1 60 LEU QB 1 61 ARG H 5.610 . 5.610 3.149 2.394 3.438 . 0 0 "[ . 1 . 2]" 1
605 1 60 LEU QD 1 61 ARG H 6.740 . 6.740 3.098 2.270 3.485 . 0 0 "[ . 1 . 2]" 1
606 1 61 ARG H 1 61 ARG QG 5.000 . 5.000 4.008 3.641 4.210 . 0 0 "[ . 1 . 2]" 1
607 1 61 ARG QB 1 63 ILE MD 6.000 . 6.000 3.842 3.358 4.452 . 0 0 "[ . 1 . 2]" 1
608 1 61 ARG HA 1 88 MET HA 3.400 . 3.400 2.422 2.310 2.675 . 0 0 "[ . 1 . 2]" 1
609 1 48 LEU HA 1 62 LEU HA 3.400 . 3.400 2.501 1.982 3.012 . 0 0 "[ . 1 . 2]" 1
610 1 61 ARG HA 1 62 LEU QD 6.740 . 6.740 2.787 2.297 3.666 . 0 0 "[ . 1 . 2]" 1
611 1 61 ARG H 1 62 LEU H 5.000 . 5.000 4.423 4.353 4.466 . 0 0 "[ . 1 . 2]" 1
612 1 61 ARG HA 1 62 LEU H 3.400 . 3.400 2.190 2.147 2.247 . 0 0 "[ . 1 . 2]" 1
613 1 61 ARG QB 1 62 LEU H 5.000 . 5.000 3.631 3.482 3.770 . 0 0 "[ . 1 . 2]" 1
614 1 62 LEU H 1 62 LEU HG 5.000 . 5.000 3.490 2.002 4.378 . 0 0 "[ . 1 . 2]" 1
615 1 62 LEU H 1 87 HIS H 5.000 . 5.000 3.223 2.759 3.671 . 0 0 "[ . 1 . 2]" 1
616 1 62 LEU H 1 87 HIS HD2 5.000 . 5.000 3.333 1.940 4.855 . 0 0 "[ . 1 . 2]" 1
617 1 62 LEU H 1 87 HIS QB 5.000 . 5.000 3.923 2.876 4.490 . 0 0 "[ . 1 . 2]" 1
618 1 62 LEU H 1 88 MET HA 5.000 . 5.000 3.750 3.487 4.119 . 0 0 "[ . 1 . 2]" 1
619 1 62 LEU H 1 89 PHE H 5.000 . 5.000 4.193 3.743 4.567 . 0 0 "[ . 1 . 2]" 1
620 1 47 LYS H 1 63 ILE H 5.000 . 5.000 3.182 2.705 3.541 . 0 0 "[ . 1 . 2]" 1
621 1 48 LEU HA 1 63 ILE H 5.000 . 5.000 3.659 2.810 4.161 . 0 0 "[ . 1 . 2]" 1
622 1 62 LEU H 1 63 ILE H 5.000 . 5.000 4.303 4.015 4.422 . 0 0 "[ . 1 . 2]" 1
623 1 62 LEU HA 1 63 ILE H 2.800 . 2.800 2.180 2.120 2.256 . 0 0 "[ . 1 . 2]" 1
624 1 62 LEU QB 1 63 ILE H 5.610 . 5.610 3.137 2.831 3.528 . 0 0 "[ . 1 . 2]" 1
625 1 63 ILE HA 1 63 ILE MG 3.360 . 3.360 2.455 2.135 2.640 . 0 0 "[ . 1 . 2]" 1
626 1 63 ILE HA 1 63 ILE MD 4.080 . 4.080 2.919 1.854 3.461 . 0 0 "[ . 1 . 2]" 1
627 1 63 ILE H 1 63 ILE HB 3.400 . 3.400 2.567 2.317 2.804 . 0 0 "[ . 1 . 2]" 1
628 1 63 ILE H 1 63 ILE QG 5.000 . 5.000 3.083 2.239 3.608 . 0 0 "[ . 1 . 2]" 1
629 1 63 ILE HA 1 86 ARG HA 2.800 . 2.800 2.267 1.934 2.688 . 0 0 "[ . 1 . 2]" 1
630 1 63 ILE MD 1 86 ARG HA 6.000 . 6.000 3.426 1.942 4.963 . 0 0 "[ . 1 . 2]" 1
631 1 63 ILE MD 1 86 ARG QD 6.000 . 6.000 3.053 1.872 4.451 . 0 0 "[ . 1 . 2]" 1
632 1 45 ILE MG 1 64 GLY H 5.000 . 5.000 4.167 4.126 4.186 . 0 0 "[ . 1 . 2]" 1
633 1 45 ILE HA 1 64 GLY H 5.000 . 5.000 4.320 3.879 4.774 . 0 0 "[ . 1 . 2]" 1
634 1 63 ILE HA 1 64 GLY H 2.800 . 2.800 2.169 2.123 2.202 . 0 0 "[ . 1 . 2]" 1
635 1 63 ILE HB 1 64 GLY H 5.000 . 5.000 4.204 3.664 4.537 . 0 0 "[ . 1 . 2]" 1
636 1 63 ILE QG 1 64 GLY H 5.000 . 5.000 4.164 3.751 4.545 . 0 0 "[ . 1 . 2]" 1
637 1 64 GLY H 1 64 GLY QA 2.800 . 2.800 2.227 2.193 2.347 . 0 0 "[ . 1 . 2]" 1
638 1 64 GLY H 1 65 LYS H 5.000 . 5.000 4.222 2.629 4.639 . 0 0 "[ . 1 . 2]" 1
639 1 64 GLY H 1 85 GLN H 5.000 . 5.000 3.807 2.515 5.000 0.000 3 0 "[ . 1 . 2]" 1
640 1 64 GLY H 1 86 ARG HA 3.400 . 3.400 3.217 2.423 3.416 0.016 18 0 "[ . 1 . 2]" 1
641 1 44 THR HB 1 65 LYS QB 5.000 . 5.000 4.080 3.075 4.465 . 0 0 "[ . 1 . 2]" 1
642 1 46 ASP QB 1 65 LYS H 5.600 . 5.600 4.207 3.160 4.992 . 0 0 "[ . 1 . 2]" 1
643 1 64 GLY QA 1 65 LYS HA 5.000 . 5.000 4.092 3.935 4.512 . 0 0 "[ . 1 . 2]" 1
644 1 65 LYS HA 1 65 LYS QG 3.400 . 3.400 2.256 2.061 2.575 . 0 0 "[ . 1 . 2]" 1
645 1 65 LYS HA 1 65 LYS QD 3.400 . 3.400 2.795 2.204 3.074 . 0 0 "[ . 1 . 2]" 1
646 1 65 LYS H 1 66 VAL H 5.000 . 5.000 4.240 2.151 4.640 . 0 0 "[ . 1 . 2]" 1
647 1 46 ASP QB 1 66 VAL H 5.600 . 5.600 4.741 4.103 5.030 . 0 0 "[ . 1 . 2]" 1
648 1 65 LYS QB 1 66 VAL H 3.400 . 3.400 2.627 1.900 3.080 . 0 0 "[ . 1 . 2]" 1
649 1 66 VAL H 1 66 VAL QG 3.770 . 3.770 2.261 1.978 2.803 . 0 0 "[ . 1 . 2]" 1
650 1 66 VAL QG 1 84 PRO QB 6.740 . 6.740 3.307 1.806 4.469 . 0 0 "[ . 1 . 2]" 1
651 1 66 VAL QG 1 84 PRO HA 6.740 . 6.740 3.992 1.962 5.012 . 0 0 "[ . 1 . 2]" 1
652 1 66 VAL H 1 67 ASP H 5.000 . 5.000 4.393 4.110 4.642 . 0 0 "[ . 1 . 2]" 1
653 1 66 VAL HA 1 67 ASP H 2.800 . 2.800 2.364 2.143 2.767 . 0 0 "[ . 1 . 2]" 1
654 1 66 VAL HB 1 67 ASP H 3.400 . 3.400 2.770 1.847 3.424 0.024 14 0 "[ . 1 . 2]" 1
655 1 66 VAL QG 1 67 ASP H 4.580 . 4.580 2.919 1.886 3.408 . 0 0 "[ . 1 . 2]" 1
656 1 67 ASP H 1 67 ASP QB 2.800 . 2.800 2.462 2.154 2.607 . 0 0 "[ . 1 . 2]" 1
657 1 67 ASP H 1 68 GLU H 5.000 . 5.000 3.573 1.834 4.596 . 0 0 "[ . 1 . 2]" 1
658 1 67 ASP QB 1 68 GLU H 5.610 . 5.610 3.268 1.976 3.934 . 0 0 "[ . 1 . 2]" 1
659 1 68 GLU H 1 68 GLU HA 2.800 . 2.800 2.766 2.280 2.924 0.124 3 0 "[ . 1 . 2]" 1
660 1 68 GLU H 1 68 GLU QG 3.400 . 3.400 2.413 1.970 3.049 . 0 0 "[ . 1 . 2]" 1
661 1 68 GLU H 1 68 GLU QB 3.400 . 3.400 2.812 2.433 3.042 . 0 0 "[ . 1 . 2]" 1
662 1 68 GLU H 1 69 SER H 2.800 . 2.800 2.542 1.950 2.857 0.057 4 0 "[ . 1 . 2]" 1
663 1 68 GLU QB 1 81 VAL HA 3.400 . 3.400 2.851 2.276 3.056 . 0 0 "[ . 1 . 2]" 1
664 1 68 GLU QB 1 81 VAL QG 4.590 . 4.590 1.907 1.597 2.783 0.203 3 0 "[ . 1 . 2]" 1
665 1 68 GLU HA 1 69 SER H 3.400 . 3.400 3.123 2.674 3.441 0.041 5 0 "[ . 1 . 2]" 1
666 1 68 GLU QB 1 69 SER H 5.000 . 5.000 3.890 3.617 4.047 . 0 0 "[ . 1 . 2]" 1
667 1 69 SER HA 1 69 SER QB 2.800 . 2.800 2.403 2.275 2.496 . 0 0 "[ . 1 . 2]" 1
668 1 69 SER H 1 69 SER HA 2.800 . 2.800 2.856 2.740 2.919 0.119 14 0 "[ . 1 . 2]" 1
669 1 69 SER H 1 69 SER QB 2.800 . 2.800 2.328 2.189 2.468 . 0 0 "[ . 1 . 2]" 1
670 1 69 SER H 1 70 LYS H 2.800 . 2.800 2.371 1.868 2.812 0.012 18 0 "[ . 1 . 2]" 1
671 1 67 ASP QB 1 70 LYS H 5.610 . 5.610 3.711 2.654 5.008 . 0 0 "[ . 1 . 2]" 1
672 1 68 GLU HA 1 70 LYS H 5.000 . 5.000 3.701 3.084 4.490 . 0 0 "[ . 1 . 2]" 1
673 1 69 SER HA 1 70 LYS H 3.400 . 3.400 3.408 2.969 3.496 0.096 4 0 "[ . 1 . 2]" 1
674 1 69 SER QB 1 70 LYS H 5.000 . 5.000 2.985 2.605 3.744 . 0 0 "[ . 1 . 2]" 1
675 1 70 LYS HA 1 70 LYS QB 2.800 . 2.800 2.177 2.165 2.182 . 0 0 "[ . 1 . 2]" 1
676 1 70 LYS H 1 70 LYS HA 2.800 . 2.800 2.895 2.850 2.923 0.123 15 0 "[ . 1 . 2]" 1
677 1 70 LYS H 1 70 LYS QD 2.800 . 2.800 2.373 1.956 2.539 . 0 0 "[ . 1 . 2]" 1
678 1 70 LYS H 1 70 LYS QG 5.000 . 5.000 2.183 1.843 2.427 . 0 0 "[ . 1 . 2]" 1
679 1 70 LYS H 1 71 LYS QD 5.000 . 5.000 3.955 3.353 4.343 . 0 0 "[ . 1 . 2]" 1
680 1 68 GLU HA 1 71 LYS H 5.000 . 5.000 3.623 3.054 4.524 . 0 0 "[ . 1 . 2]" 1
681 1 70 LYS QG 1 71 LYS H 3.400 . 3.400 2.964 2.166 3.111 . 0 0 "[ . 1 . 2]" 1
682 1 71 LYS QE 1 71 LYS QG 3.400 . 3.400 2.182 2.029 2.474 . 0 0 "[ . 1 . 2]" 1
683 1 71 LYS H 1 71 LYS QD 2.800 . 2.800 2.483 2.115 2.535 . 0 0 "[ . 1 . 2]" 1
684 1 71 LYS H 1 71 LYS QG 3.400 . 3.400 2.923 2.619 3.116 . 0 0 "[ . 1 . 2]" 1
685 1 71 LYS QG 1 72 ARG QD 5.000 . 5.000 3.977 3.779 4.041 . 0 0 "[ . 1 . 2]" 1
686 1 71 LYS QB 1 72 ARG QD 5.000 . 5.000 3.217 2.493 3.946 . 0 0 "[ . 1 . 2]" 1
687 1 71 LYS H 1 72 ARG H 5.000 . 5.000 4.529 4.399 4.643 . 0 0 "[ . 1 . 2]" 1
688 1 71 LYS HA 1 72 ARG H 2.800 . 2.800 2.649 2.307 2.851 0.051 16 0 "[ . 1 . 2]" 1
689 1 72 ARG QB 1 72 ARG QD 3.400 . 3.400 2.279 2.040 2.709 . 0 0 "[ . 1 . 2]" 1
690 1 72 ARG H 1 72 ARG QG 3.400 . 3.400 2.587 1.952 3.039 . 0 0 "[ . 1 . 2]" 1
691 1 72 ARG H 1 80 VAL QG 6.750 . 6.750 3.129 1.945 5.035 . 0 0 "[ . 1 . 2]" 1
692 1 72 ARG H 1 80 VAL H 5.000 . 5.000 3.243 2.427 4.051 . 0 0 "[ . 1 . 2]" 1
693 1 71 LYS QG 1 73 LYS HA 5.000 . 5.000 4.380 3.408 4.541 . 0 0 "[ . 1 . 2]" 1
694 1 72 ARG QB 1 73 LYS H 3.400 . 3.400 2.774 1.943 3.063 . 0 0 "[ . 1 . 2]" 1
695 1 73 LYS HA 1 73 LYS QD 5.000 . 5.000 3.048 2.185 3.534 . 0 0 "[ . 1 . 2]" 1
696 1 73 LYS QE 1 73 LYS QG 2.800 . 2.800 2.135 1.968 2.231 . 0 0 "[ . 1 . 2]" 1
697 1 73 LYS HA 1 73 LYS QB 2.800 . 2.800 2.307 2.161 2.505 . 0 0 "[ . 1 . 2]" 1
698 1 73 LYS H 1 73 LYS QG 5.000 . 5.000 2.964 1.913 3.748 . 0 0 "[ . 1 . 2]" 1
699 1 73 LYS H 1 73 LYS QD 2.800 . 2.800 2.228 1.894 2.514 . 0 0 "[ . 1 . 2]" 1
700 1 73 LYS H 1 74 ASP H 5.000 . 5.000 4.493 4.313 4.620 . 0 0 "[ . 1 . 2]" 1
701 1 73 LYS HA 1 79 GLU HA 2.800 . 2.800 2.319 1.955 2.832 0.032 19 0 "[ . 1 . 2]" 1
702 1 73 LYS QB 1 74 ASP H 2.800 . 2.800 2.081 1.788 2.502 0.012 12 0 "[ . 1 . 2]" 1
703 1 73 LYS HA 1 74 ASP H 2.800 . 2.800 2.631 2.351 2.806 0.006 20 0 "[ . 1 . 2]" 1
704 1 74 ASP H 1 74 ASP HA 2.800 . 2.800 2.876 2.835 2.919 0.119 4 0 "[ . 1 . 2]" 1
705 1 74 ASP H 1 74 ASP QB 3.820 . 3.820 2.696 2.268 2.909 . 0 0 "[ . 1 . 2]" 1
706 1 74 ASP H 1 77 GLY H 5.000 . 5.000 3.496 2.985 4.320 . 0 0 "[ . 1 . 2]" 1
707 1 74 ASP H 1 77 GLY QA 5.000 . 5.000 3.174 2.328 4.204 . 0 0 "[ . 1 . 2]" 1
708 1 74 ASP HA 1 75 ASN H 5.000 . 5.000 2.755 2.461 3.569 . 0 0 "[ . 1 . 2]" 1
709 1 74 ASP QB 1 75 ASN H 3.140 . 3.140 2.370 1.936 2.800 . 0 0 "[ . 1 . 2]" 1
710 1 75 ASN HA 1 75 ASN QB 2.800 . 2.800 2.458 2.339 2.504 . 0 0 "[ . 1 . 2]" 1
711 1 75 ASN H 1 75 ASN HA 2.800 . 2.800 2.810 2.750 2.910 0.110 15 0 "[ . 1 . 2]" 1
712 1 75 ASN H 1 75 ASN QB 2.800 . 2.800 2.283 2.090 2.518 . 0 0 "[ . 1 . 2]" 1
713 1 75 ASN H 1 76 GLU H 3.400 . 3.400 2.763 2.581 3.371 . 0 0 "[ . 1 . 2]" 1
714 1 74 ASP QB 1 76 GLU H 5.000 . 5.000 2.865 2.288 4.352 . 0 0 "[ . 1 . 2]" 1
715 1 75 ASN QB 1 76 GLU QG 5.000 . 5.000 3.370 2.700 3.918 . 0 0 "[ . 1 . 2]" 1
716 1 75 ASN HA 1 76 GLU H 3.400 . 3.400 3.473 3.438 3.513 0.113 17 0 "[ . 1 . 2]" 1
717 1 75 ASN QB 1 76 GLU H 5.000 . 5.000 2.590 1.888 2.995 . 0 0 "[ . 1 . 2]" 1
718 1 76 GLU HA 1 76 GLU QG 2.800 . 2.800 2.328 2.090 2.496 . 0 0 "[ . 1 . 2]" 1
719 1 76 GLU H 1 76 GLU HA 2.800 . 2.800 2.889 2.851 2.921 0.121 11 0 "[ . 1 . 2]" 1
720 1 76 GLU H 1 76 GLU QB 2.800 . 2.800 2.267 2.162 2.495 . 0 0 "[ . 1 . 2]" 1
721 1 76 GLU H 1 78 ASN H 3.400 . 3.400 3.382 3.233 3.425 0.025 12 0 "[ . 1 . 2]" 1
722 1 73 LYS QB 1 77 GLY QA 4.250 . 4.250 3.175 2.672 3.401 . 0 0 "[ . 1 . 2]" 1
723 1 75 ASN QB 1 77 GLY H 5.000 . 5.000 4.422 3.865 4.472 . 0 0 "[ . 1 . 2]" 1
724 1 76 GLU HA 1 77 GLY H 3.400 . 3.400 3.078 2.544 3.412 0.012 7 0 "[ . 1 . 2]" 1
725 1 76 GLU QB 1 77 GLY H 5.000 . 5.000 3.550 3.068 3.918 . 0 0 "[ . 1 . 2]" 1
726 1 77 GLY H 1 77 GLY QA 2.800 . 2.800 2.231 2.190 2.349 . 0 0 "[ . 1 . 2]" 1
727 1 77 GLY H 1 78 ASN H 2.800 . 2.800 2.511 1.949 2.791 . 0 0 "[ . 1 . 2]" 1
728 1 73 LYS QB 1 78 ASN H 5.800 2.200 5.800 4.531 3.900 5.172 . 0 0 "[ . 1 . 2]" 1
729 1 77 GLY QA 1 78 ASN H 3.400 . 3.400 2.842 2.736 2.925 . 0 0 "[ . 1 . 2]" 1
730 1 78 ASN HA 1 78 ASN QB 2.800 . 2.800 2.428 2.336 2.514 . 0 0 "[ . 1 . 2]" 1
731 1 78 ASN H 1 78 ASN QB 2.800 . 2.800 2.321 2.119 2.514 . 0 0 "[ . 1 . 2]" 1
732 1 73 LYS HA 1 79 GLU QB 3.400 . 3.400 2.891 1.963 3.049 . 0 0 "[ . 1 . 2]" 1
733 1 73 LYS QD 1 79 GLU HA 5.000 . 5.000 4.338 3.755 4.493 . 0 0 "[ . 1 . 2]" 1
734 1 78 ASN QB 1 79 GLU H 3.400 . 3.400 2.448 1.846 3.037 . 0 0 "[ . 1 . 2]" 1
735 1 79 GLU HA 1 79 GLU QB 2.800 . 2.800 2.220 2.165 2.318 . 0 0 "[ . 1 . 2]" 1
736 1 79 GLU H 1 79 GLU QG 3.400 . 3.400 2.542 2.132 3.048 . 0 0 "[ . 1 . 2]" 1
737 1 68 GLU HA 1 80 VAL QG 6.740 . 6.740 5.018 5.001 5.045 . 0 0 "[ . 1 . 2]" 1
738 1 71 LYS HA 1 80 VAL QG 6.740 . 6.740 3.722 2.395 5.021 . 0 0 "[ . 1 . 2]" 1
739 1 72 ARG QD 1 80 VAL QG 6.740 . 6.740 2.719 1.757 4.461 0.043 13 0 "[ . 1 . 2]" 1
740 1 79 GLU HA 1 80 VAL QG 6.740 . 6.740 3.765 3.318 4.243 . 0 0 "[ . 1 . 2]" 1
741 1 79 GLU HA 1 80 VAL H 2.800 . 2.800 2.571 2.370 2.798 . 0 0 "[ . 1 . 2]" 1
742 1 79 GLU QB 1 80 VAL H 2.800 . 2.800 2.179 1.839 2.504 . 0 0 "[ . 1 . 2]" 1
743 1 80 VAL H 1 80 VAL QG 3.770 . 3.770 2.519 1.933 2.799 . 0 0 "[ . 1 . 2]" 1
744 1 68 GLU HA 1 81 VAL QG 6.740 . 6.740 2.780 1.952 3.637 . 0 0 "[ . 1 . 2]" 1
745 1 71 LYS HA 1 81 VAL QG 6.740 . 6.740 4.893 3.097 5.039 . 0 0 "[ . 1 . 2]" 1
746 1 80 VAL H 1 81 VAL H 5.000 . 5.000 4.000 1.924 4.503 . 0 0 "[ . 1 . 2]" 1
747 1 80 VAL HB 1 81 VAL H 3.810 . 3.810 3.781 3.576 3.872 0.062 13 0 "[ . 1 . 2]" 1
748 1 80 VAL QG 1 81 VAL H 3.770 . 3.770 1.875 1.721 2.047 0.079 9 0 "[ . 1 . 2]" 1
749 1 81 VAL H 1 81 VAL HA 2.800 . 2.800 2.787 2.290 2.922 0.122 20 0 "[ . 1 . 2]" 1
750 1 81 VAL H 1 81 VAL HB 2.800 . 2.800 2.736 2.439 2.917 0.117 13 0 "[ . 1 . 2]" 1
751 1 81 VAL H 1 81 VAL QG 3.770 . 3.770 2.498 1.957 2.833 . 0 0 "[ . 1 . 2]" 1
752 1 81 VAL H 1 82 PRO QD 5.000 . 5.000 3.748 2.621 4.344 . 0 0 "[ . 1 . 2]" 1
753 1 71 LYS HA 1 82 PRO QD 5.000 . 5.000 2.837 1.986 4.152 . 0 0 "[ . 1 . 2]" 1
754 1 80 VAL QG 1 82 PRO QD 6.740 . 6.740 2.989 1.719 4.284 0.081 11 0 "[ . 1 . 2]" 1
755 1 81 VAL HA 1 82 PRO QD 2.800 . 2.800 2.011 1.870 2.385 . 0 0 "[ . 1 . 2]" 1
756 1 82 PRO QB 1 82 PRO QD 3.400 . 3.400 2.724 2.713 2.755 . 0 0 "[ . 1 . 2]" 1
757 1 80 VAL QG 1 83 LYS H 5.600 . 5.600 4.130 3.562 4.188 . 0 0 "[ . 1 . 2]" 1
758 1 82 PRO QB 1 83 LYS H 5.000 . 5.000 3.614 1.950 3.902 . 0 0 "[ . 1 . 2]" 1
759 1 83 LYS HA 1 83 LYS QD 5.000 . 5.000 3.475 2.083 3.874 . 0 0 "[ . 1 . 2]" 1
760 1 83 LYS H 1 83 LYS QE 5.000 . 5.000 3.633 1.935 4.337 . 0 0 "[ . 1 . 2]" 1
761 1 83 LYS H 1 83 LYS HA 2.800 . 2.800 2.721 2.296 2.803 0.003 16 0 "[ . 1 . 2]" 1
762 1 83 LYS H 1 83 LYS QB 3.400 . 3.400 2.600 2.311 3.053 . 0 0 "[ . 1 . 2]" 1
763 1 83 LYS H 1 83 LYS QD 2.800 . 2.800 2.118 1.945 2.506 . 0 0 "[ . 1 . 2]" 1
764 1 83 LYS H 1 83 LYS QG 3.400 . 3.400 2.436 1.939 3.039 . 0 0 "[ . 1 . 2]" 1
765 1 63 ILE MG 1 84 PRO QB 4.080 . 4.080 2.686 2.045 3.040 . 0 0 "[ . 1 . 2]" 1
766 1 83 LYS HA 1 84 PRO QD 3.400 . 3.400 1.966 1.912 2.190 . 0 0 "[ . 1 . 2]" 1
767 1 83 LYS HA 1 84 PRO QG 5.000 . 5.000 3.867 3.816 4.084 . 0 0 "[ . 1 . 2]" 1
768 1 84 PRO HA 1 84 PRO QG 3.400 . 3.400 2.969 2.854 3.065 . 0 0 "[ . 1 . 2]" 1
769 1 84 PRO HA 1 85 GLN H 2.800 . 2.800 2.441 2.190 2.752 . 0 0 "[ . 1 . 2]" 1
770 1 84 PRO QB 1 85 GLN H 3.400 . 3.400 2.624 2.110 3.041 . 0 0 "[ . 1 . 2]" 1
771 1 85 GLN HA 1 85 GLN QG 3.400 . 3.400 2.333 2.051 2.736 . 0 0 "[ . 1 . 2]" 1
772 1 85 GLN H 1 85 GLN QB 2.800 . 2.800 2.331 2.176 2.502 . 0 0 "[ . 1 . 2]" 1
773 1 85 GLN H 1 86 ARG H 5.000 . 5.000 3.952 3.196 4.638 . 0 0 "[ . 1 . 2]" 1
774 1 63 ILE MG 1 86 ARG HA 6.000 . 6.000 3.371 1.984 4.068 . 0 0 "[ . 1 . 2]" 1
775 1 85 GLN QG 1 86 ARG H 5.000 . 5.000 3.903 2.686 4.456 . 0 0 "[ . 1 . 2]" 1
776 1 85 GLN HA 1 86 ARG H 2.800 . 2.800 2.313 2.141 2.552 . 0 0 "[ . 1 . 2]" 1
777 1 86 ARG HA 1 86 ARG QG 3.400 . 3.400 2.593 2.464 2.830 . 0 0 "[ . 1 . 2]" 1
778 1 86 ARG H 1 86 ARG QG 3.400 . 3.400 2.288 1.883 2.911 . 0 0 "[ . 1 . 2]" 1
779 1 86 ARG H 1 87 HIS H 5.000 . 5.000 4.494 4.212 4.605 . 0 0 "[ . 1 . 2]" 1
780 1 61 ARG HA 1 87 HIS H 5.000 . 5.000 4.759 4.214 5.015 0.015 3 0 "[ . 1 . 2]" 1
781 1 62 LEU QD 1 87 HIS HD2 4.580 . 4.580 2.735 1.927 3.426 . 0 0 "[ . 1 . 2]" 1
782 1 62 LEU QD 1 87 HIS H 6.000 . 6.000 4.296 3.428 4.466 . 0 0 "[ . 1 . 2]" 1
783 1 86 ARG HA 1 87 HIS H 2.800 . 2.800 2.212 2.133 2.391 . 0 0 "[ . 1 . 2]" 1
784 1 86 ARG QB 1 87 HIS H 5.000 . 5.000 2.988 2.446 3.317 . 0 0 "[ . 1 . 2]" 1
785 1 87 HIS HA 1 87 HIS HD2 5.000 . 5.000 4.495 3.988 4.885 . 0 0 "[ . 1 . 2]" 1
786 1 87 HIS H 1 87 HIS HD2 3.400 . 3.400 3.015 2.152 3.409 0.009 2 0 "[ . 1 . 2]" 1
787 1 9 PHE QE 1 88 MET H 3.820 . 3.820 3.415 3.406 3.424 . 0 0 "[ . 1 . 2]" 1
788 1 9 PHE QD 1 88 MET H 5.610 . 5.610 4.356 3.979 4.885 . 0 0 "[ . 1 . 2]" 1
789 1 61 ARG HA 1 88 MET QB 5.000 . 5.000 4.473 4.280 4.529 . 0 0 "[ . 1 . 2]" 1
790 1 87 HIS HA 1 88 MET H 2.800 . 2.800 2.187 2.141 2.306 . 0 0 "[ . 1 . 2]" 1
791 1 87 HIS QB 1 88 MET H 5.000 . 5.000 3.079 2.619 3.420 . 0 0 "[ . 1 . 2]" 1
792 1 88 MET H 1 88 MET QG 5.000 . 5.000 3.993 3.825 4.103 . 0 0 "[ . 1 . 2]" 1
793 1 88 MET H 1 88 MET QB 3.400 . 3.400 2.365 2.284 2.484 . 0 0 "[ . 1 . 2]" 1
794 1 88 MET H 1 89 PHE H 5.000 . 5.000 4.258 4.192 4.419 . 0 0 "[ . 1 . 2]" 1
795 1 7 ALA MB 1 89 PHE QB 6.000 . 6.000 2.872 2.450 3.248 . 0 0 "[ . 1 . 2]" 1
796 1 7 ALA MB 1 89 PHE QD 6.740 . 6.740 2.361 2.248 2.501 . 0 0 "[ . 1 . 2]" 1
797 1 61 ARG HA 1 89 PHE H 5.000 . 5.000 2.575 2.263 3.120 . 0 0 "[ . 1 . 2]" 1
798 1 62 LEU QD 1 89 PHE QD 5.140 . 5.140 2.699 1.932 3.402 . 0 0 "[ . 1 . 2]" 1
799 1 88 MET QB 1 89 PHE H 5.610 . 5.610 3.831 3.739 3.921 . 0 0 "[ . 1 . 2]" 1
800 1 88 MET HA 1 89 PHE H 2.800 . 2.800 2.143 2.120 2.164 . 0 0 "[ . 1 . 2]" 1
801 1 88 MET QG 1 89 PHE H 5.000 . 5.000 3.483 2.814 4.081 . 0 0 "[ . 1 . 2]" 1
802 1 89 PHE H 1 89 PHE QD 5.610 2.200 5.610 3.975 3.903 4.033 . 0 0 "[ . 1 . 2]" 1
803 1 7 ALA HA 1 90 SER H 5.000 . 5.000 4.889 4.673 5.056 0.056 5 0 "[ . 1 . 2]" 1
804 1 8 ILE HB 1 90 SER H 5.000 . 5.000 3.846 3.739 3.916 . 0 0 "[ . 1 . 2]" 1
805 1 8 ILE QG 1 90 SER H 6.000 . 6.000 5.368 5.357 5.388 . 0 0 "[ . 1 . 2]" 1
806 1 8 ILE MD 1 90 SER H 6.000 . 6.000 5.010 4.997 5.026 . 0 0 "[ . 1 . 2]" 1
807 1 8 ILE MG 1 90 SER H 6.000 . 6.000 4.562 4.384 4.678 . 0 0 "[ . 1 . 2]" 1
808 1 9 PHE HA 1 90 SER H 5.000 . 5.000 4.195 4.015 4.433 . 0 0 "[ . 1 . 2]" 1
809 1 89 PHE H 1 90 SER H 5.000 . 5.000 4.495 4.414 4.604 . 0 0 "[ . 1 . 2]" 1
810 1 89 PHE QD 1 90 SER H 5.610 . 5.610 2.350 1.919 2.726 . 0 0 "[ . 1 . 2]" 1
811 1 89 PHE HA 1 90 SER H 2.800 . 2.800 2.204 2.150 2.374 . 0 0 "[ . 1 . 2]" 1
812 1 89 PHE QB 1 90 SER H 5.000 . 5.000 3.451 3.098 3.665 . 0 0 "[ . 1 . 2]" 1
813 1 90 SER H 1 91 PHE H 5.000 . 5.000 4.322 4.213 4.469 . 0 0 "[ . 1 . 2]" 1
814 1 90 SER H 1 91 PHE QD 5.000 . 5.000 3.289 3.024 3.588 . 0 0 "[ . 1 . 2]" 1
815 1 90 SER H 1 91 PHE QE 5.000 . 5.000 3.952 3.229 4.395 . 0 0 "[ . 1 . 2]" 1
816 1 7 ALA MB 1 91 PHE QE 6.740 . 6.740 2.224 1.902 2.592 . 0 0 "[ . 1 . 2]" 1
817 1 8 ILE HB 1 91 PHE QB 5.000 . 5.000 4.502 4.481 4.543 . 0 0 "[ . 1 . 2]" 1
818 1 59 MET HA 1 91 PHE QD 5.610 . 5.610 3.942 3.588 4.131 . 0 0 "[ . 1 . 2]" 1
819 1 59 MET HA 1 91 PHE QE 5.610 . 5.610 3.666 3.302 3.978 . 0 0 "[ . 1 . 2]" 1
820 1 60 LEU MD2 1 91 PHE QE 6.740 . 6.740 4.220 3.284 4.967 . 0 0 "[ . 1 . 2]" 1
821 1 60 LEU H 1 91 PHE H 5.000 . 5.000 4.566 4.229 4.973 . 0 0 "[ . 1 . 2]" 1
822 1 90 SER HA 1 91 PHE QD 5.610 . 5.610 3.273 2.961 3.726 . 0 0 "[ . 1 . 2]" 1
823 1 90 SER HA 1 91 PHE H 2.800 . 2.800 2.144 2.121 2.173 . 0 0 "[ . 1 . 2]" 1
824 1 90 SER QB 1 91 PHE H 5.000 . 5.000 3.510 2.887 3.715 . 0 0 "[ . 1 . 2]" 1
825 1 91 PHE H 1 91 PHE QD 3.820 . 3.820 2.874 2.584 3.294 . 0 0 "[ . 1 . 2]" 1
826 1 91 PHE H 1 91 PHE QE 5.610 . 5.610 4.154 3.985 4.427 . 0 0 "[ . 1 . 2]" 1
827 1 91 PHE QE 1 100 ILE MG 6.740 . 6.740 2.997 2.673 3.428 . 0 0 "[ . 1 . 2]" 1
828 1 8 ILE MD 1 92 ASN QD 4.590 . 4.590 2.734 2.273 3.151 . 0 0 "[ . 1 . 2]" 1
829 1 8 ILE QG 1 92 ASN QD 6.250 . 6.250 4.553 4.088 4.893 . 0 0 "[ . 1 . 2]" 1
830 1 91 PHE H 1 92 ASN H 5.000 . 5.000 4.423 4.375 4.446 . 0 0 "[ . 1 . 2]" 1
831 1 91 PHE QD 1 92 ASN H 5.610 . 5.610 4.367 4.227 4.712 . 0 0 "[ . 1 . 2]" 1
832 1 91 PHE HA 1 92 ASN H 3.400 . 3.400 2.480 2.239 2.508 . 0 0 "[ . 1 . 2]" 1
833 1 91 PHE QB 1 92 ASN H 5.000 . 5.000 2.400 2.303 2.856 . 0 0 "[ . 1 . 2]" 1
834 1 92 ASN HA 1 92 ASN QB 2.800 . 2.800 2.341 2.179 2.492 . 0 0 "[ . 1 . 2]" 1
835 1 91 PHE QD 1 93 ASN H 5.610 . 5.610 3.154 2.922 3.392 . 0 0 "[ . 1 . 2]" 1
836 1 91 PHE QB 1 93 ASN H 3.400 . 3.400 2.311 2.171 2.413 . 0 0 "[ . 1 . 2]" 1
837 1 92 ASN H 1 93 ASN H 2.800 . 2.800 2.813 2.682 2.846 0.046 9 0 "[ . 1 . 2]" 1
838 1 93 ASN H 1 93 ASN QB 3.400 . 3.400 2.555 2.395 2.725 . 0 0 "[ . 1 . 2]" 1
839 1 93 ASN H 1 94 ARG H 5.000 . 5.000 4.145 3.864 4.531 . 0 0 "[ . 1 . 2]" 1
840 1 93 ASN QB 1 96 VAL QG 4.580 . 4.580 1.835 1.707 1.932 0.093 11 0 "[ . 1 . 2]" 1
841 1 93 ASN H 1 96 VAL HB 5.000 . 5.000 4.826 4.463 5.064 0.064 4 0 "[ . 1 . 2]" 1
842 1 93 ASN QD 1 96 VAL QG 5.140 . 5.140 2.555 1.949 3.326 . 0 0 "[ . 1 . 2]" 1
843 1 93 ASN HA 1 94 ARG H 5.000 . 5.000 2.139 2.109 2.197 . 0 0 "[ . 1 . 2]" 1
844 1 93 ASN QB 1 94 ARG H 5.600 . 5.600 3.458 2.985 3.740 . 0 0 "[ . 1 . 2]" 1
845 1 94 ARG H 1 94 ARG QB 3.400 . 3.400 2.423 2.245 2.896 . 0 0 "[ . 1 . 2]" 1
846 1 94 ARG H 1 94 ARG QD 5.000 . 5.000 4.028 2.892 4.450 . 0 0 "[ . 1 . 2]" 1
847 1 94 ARG H 1 96 VAL H 5.000 . 5.000 4.029 3.578 4.414 . 0 0 "[ . 1 . 2]" 1
848 1 93 ASN HA 1 95 THR H 5.000 . 5.000 3.571 3.330 3.886 . 0 0 "[ . 1 . 2]" 1
849 1 93 ASN QB 1 95 THR H 5.000 . 5.000 3.383 3.126 3.686 . 0 0 "[ . 1 . 2]" 1
850 1 94 ARG H 1 95 THR H 3.400 . 3.400 2.349 1.976 2.647 . 0 0 "[ . 1 . 2]" 1
851 1 94 ARG HA 1 95 THR H 5.000 . 5.000 3.482 3.452 3.533 . 0 0 "[ . 1 . 2]" 1
852 1 94 ARG QB 1 95 THR H 3.400 . 3.400 2.841 2.727 3.079 . 0 0 "[ . 1 . 2]" 1
853 1 94 ARG QG 1 95 THR H 5.000 . 5.000 3.956 1.985 4.454 . 0 0 "[ . 1 . 2]" 1
854 1 95 THR HA 1 95 THR HB 2.800 . 2.800 2.754 2.680 2.908 0.108 2 0 "[ . 1 . 2]" 1
855 1 95 THR H 1 95 THR HB 2.800 . 2.800 2.352 2.146 2.948 0.148 8 0 "[ . 1 . 2]" 1
856 1 95 THR H 1 95 THR MG 4.080 . 4.080 2.959 2.708 3.508 . 0 0 "[ . 1 . 2]" 1
857 1 95 THR H 1 96 VAL HB 5.000 . 5.000 4.720 4.359 4.939 . 0 0 "[ . 1 . 2]" 1
858 1 95 THR H 1 97 MET H 5.000 . 5.000 4.259 3.839 4.608 . 0 0 "[ . 1 . 2]" 1
859 1 95 THR H 1 98 ASP H 5.000 . 5.000 4.976 4.818 5.016 0.016 16 0 "[ . 1 . 2]" 1
860 1 5 GLY QA 1 96 VAL QG 4.230 . 4.230 2.086 1.817 2.402 . 0 0 "[ . 1 . 2]" 1
861 1 91 PHE QD 1 96 VAL MG2 6.750 . 6.750 4.262 3.864 4.633 . 0 0 "[ . 1 . 2]" 1
862 1 91 PHE QE 1 96 VAL MG2 6.750 . 6.750 4.961 4.340 5.040 . 0 0 "[ . 1 . 2]" 1
863 1 93 ASN QB 1 96 VAL H 5.600 . 5.600 2.277 1.979 2.507 . 0 0 "[ . 1 . 2]" 1
864 1 93 ASN HA 1 96 VAL H 5.000 . 5.000 4.145 3.963 4.449 . 0 0 "[ . 1 . 2]" 1
865 1 95 THR HB 1 96 VAL QG 6.750 . 6.750 4.152 2.944 5.021 . 0 0 "[ . 1 . 2]" 1
866 1 95 THR H 1 96 VAL H 2.800 . 2.800 2.495 2.306 2.688 . 0 0 "[ . 1 . 2]" 1
867 1 95 THR HB 1 96 VAL H 3.400 . 3.400 3.249 2.534 3.442 0.042 3 0 "[ . 1 . 2]" 1
868 1 95 THR HA 1 96 VAL H 5.000 . 5.000 3.535 3.496 3.551 . 0 0 "[ . 1 . 2]" 1
869 1 96 VAL H 1 96 VAL HB 2.800 . 2.800 2.556 2.195 2.767 . 0 0 "[ . 1 . 2]" 1
870 1 96 VAL H 1 96 VAL QG 3.770 . 3.770 2.100 1.908 2.686 . 0 0 "[ . 1 . 2]" 1
871 1 96 VAL H 1 98 ASP H 5.000 . 5.000 4.467 4.365 4.564 . 0 0 "[ . 1 . 2]" 1
872 1 50 ALA HA 1 97 MET ME 6.000 . 6.000 3.284 2.752 4.212 . 0 0 "[ . 1 . 2]" 1
873 1 60 LEU HA 1 97 MET ME 6.000 . 6.000 4.165 3.214 5.012 . 0 0 "[ . 1 . 2]" 1
874 1 91 PHE QB 1 97 MET H 5.600 . 5.600 5.030 4.914 5.104 . 0 0 "[ . 1 . 2]" 1
875 1 91 PHE QD 1 97 MET H 7.550 3.000 7.550 3.259 3.148 3.392 . 0 0 "[ . 1 . 2]" 1
876 1 91 PHE QD 1 97 MET ME 6.750 . 6.750 5.030 5.008 5.060 . 0 0 "[ . 1 . 2]" 1
877 1 94 ARG HA 1 97 MET H 5.000 . 5.000 3.910 3.638 4.195 . 0 0 "[ . 1 . 2]" 1
878 1 95 THR HA 1 97 MET H 5.000 . 5.000 4.859 4.351 5.015 0.015 2 0 "[ . 1 . 2]" 1
879 1 96 VAL H 1 97 MET H 3.400 . 3.400 2.823 2.598 2.978 . 0 0 "[ . 1 . 2]" 1
880 1 96 VAL HA 1 97 MET H 5.000 . 5.000 3.564 3.521 3.582 . 0 0 "[ . 1 . 2]" 1
881 1 96 VAL QG 1 97 MET H 4.580 . 4.580 2.742 1.875 3.045 . 0 0 "[ . 1 . 2]" 1
882 1 97 MET H 1 97 MET QG 2.800 . 2.800 2.009 1.840 2.132 . 0 0 "[ . 1 . 2]" 1
883 1 97 MET H 1 97 MET QB 3.400 . 3.400 2.603 2.511 2.703 . 0 0 "[ . 1 . 2]" 1
884 1 94 ARG HA 1 98 ASP H 5.000 . 5.000 4.089 3.924 4.319 . 0 0 "[ . 1 . 2]" 1
885 1 95 THR HA 1 98 ASP QB 3.810 . 3.810 3.211 2.892 3.403 . 0 0 "[ . 1 . 2]" 1
886 1 95 THR HA 1 98 ASP H 5.000 . 5.000 3.965 3.717 4.071 . 0 0 "[ . 1 . 2]" 1
887 1 97 MET H 1 98 ASP H 3.400 . 3.400 3.029 2.777 3.162 . 0 0 "[ . 1 . 2]" 1
888 1 97 MET QB 1 98 ASP H 3.400 . 3.400 3.060 3.009 3.104 . 0 0 "[ . 1 . 2]" 1
889 1 98 ASP H 1 98 ASP QB 3.820 . 3.820 2.178 2.093 2.261 . 0 0 "[ . 1 . 2]" 1
890 1 98 ASP H 1 99 ASN H 3.400 . 3.400 2.712 2.578 2.842 . 0 0 "[ . 1 . 2]" 1
891 1 95 THR MG 1 99 ASN QD 4.590 . 4.590 3.098 2.160 3.409 . 0 0 "[ . 1 . 2]" 1
892 1 96 VAL HA 1 99 ASN QB 3.810 . 3.810 2.624 2.302 3.081 . 0 0 "[ . 1 . 2]" 1
893 1 96 VAL HA 1 99 ASN H 5.000 . 5.000 3.577 3.434 3.908 . 0 0 "[ . 1 . 2]" 1
894 1 96 VAL HA 1 99 ASN QD 5.600 . 5.600 3.288 2.530 4.284 . 0 0 "[ . 1 . 2]" 1
895 1 97 MET H 1 99 ASN H 5.000 . 5.000 4.058 3.888 4.190 . 0 0 "[ . 1 . 2]" 1
896 1 98 ASP HA 1 99 ASN H 5.000 . 5.000 3.455 3.445 3.475 . 0 0 "[ . 1 . 2]" 1
897 1 98 ASP QB 1 99 ASN H 3.820 . 3.820 3.007 2.903 3.068 . 0 0 "[ . 1 . 2]" 1
898 1 99 ASN H 1 99 ASN QB 2.800 . 2.800 2.196 2.124 2.301 . 0 0 "[ . 1 . 2]" 1
899 1 99 ASN H 1 99 ASN QD 5.600 . 5.600 3.758 2.256 4.582 . 0 0 "[ . 1 . 2]" 1
900 1 99 ASN H 1 101 LYS H 5.000 . 5.000 3.841 3.585 4.117 . 0 0 "[ . 1 . 2]" 1
901 1 99 ASN HA 1 102 MET QB 5.600 . 5.600 3.187 2.562 4.350 . 0 0 "[ . 1 . 2]" 1
902 1 99 ASN HA 1 102 MET ME 6.000 . 6.000 4.006 2.203 4.995 . 0 0 "[ . 1 . 2]" 1
903 1 99 ASN HA 1 102 MET QG 5.600 . 5.600 4.247 2.420 4.990 . 0 0 "[ . 1 . 2]" 1
904 1 5 GLY QA 1 100 ILE MD 4.590 . 4.590 3.108 2.992 3.190 . 0 0 "[ . 1 . 2]" 1
905 1 16 ILE MG 1 100 ILE MD 4.040 . 4.040 1.912 1.802 2.036 . 0 0 "[ . 1 . 2]" 1
906 1 18 ILE MD 1 100 ILE MD 4.040 . 4.040 2.428 1.865 2.810 . 0 0 "[ . 1 . 2]" 1
907 1 60 LEU MD1 1 100 ILE MG 4.040 . 4.040 1.737 1.646 1.997 0.154 19 0 "[ . 1 . 2]" 1
908 1 60 LEU MD1 1 100 ILE MD 4.040 . 4.040 2.828 2.819 2.855 . 0 0 "[ . 1 . 2]" 1
909 1 91 PHE HZ 1 100 ILE MG 6.000 . 6.000 3.254 2.840 3.804 . 0 0 "[ . 1 . 2]" 1
910 1 91 PHE QD 1 100 ILE MG 6.750 . 6.750 4.658 4.469 4.908 . 0 0 "[ . 1 . 2]" 1
911 1 99 ASN HA 1 100 ILE H 5.000 . 5.000 3.539 3.507 3.583 . 0 0 "[ . 1 . 2]" 1
912 1 99 ASN QB 1 100 ILE H 5.600 . 5.600 2.662 2.183 2.917 . 0 0 "[ . 1 . 2]" 1
913 1 100 ILE HB 1 100 ILE QG 2.800 . 2.800 2.302 2.248 2.327 . 0 0 "[ . 1 . 2]" 1
914 1 100 ILE H 1 100 ILE HB 2.800 . 2.800 2.613 2.430 2.731 . 0 0 "[ . 1 . 2]" 1
915 1 100 ILE H 1 100 ILE QG 5.000 . 5.000 3.996 3.951 4.019 . 0 0 "[ . 1 . 2]" 1
916 1 100 ILE H 1 101 LYS H 3.400 . 3.400 2.517 2.371 2.872 . 0 0 "[ . 1 . 2]" 1
917 1 60 LEU MD2 1 101 LYS HA 6.000 3.000 6.000 3.228 2.480 4.043 0.520 18 4 "[ - 1* * . + 2]" 1
918 1 60 LEU QD 1 101 LYS H 5.600 . 5.600 2.595 2.417 2.848 . 0 0 "[ . 1 . 2]" 1
919 1 98 ASP HA 1 101 LYS QB 3.810 . 3.810 3.251 2.774 3.467 . 0 0 "[ . 1 . 2]" 1
920 1 98 ASP HA 1 101 LYS QE 5.600 . 5.600 3.354 1.970 4.646 . 0 0 "[ . 1 . 2]" 1
921 1 98 ASP HA 1 101 LYS H 5.000 . 5.000 3.797 3.417 4.337 . 0 0 "[ . 1 . 2]" 1
922 1 101 LYS QE 1 101 LYS QG 3.400 . 3.400 2.284 1.918 2.535 . 0 0 "[ . 1 . 2]" 1
923 1 101 LYS H 1 101 LYS QE 5.000 . 5.000 4.512 4.451 4.597 . 0 0 "[ . 1 . 2]" 1
924 1 101 LYS H 1 101 LYS QD 5.000 . 5.000 4.254 3.811 4.506 . 0 0 "[ . 1 . 2]" 1
925 1 101 LYS H 1 101 LYS QG 5.000 . 5.000 3.213 2.038 4.037 . 0 0 "[ . 1 . 2]" 1
926 1 60 LEU QD 1 102 MET H 5.600 . 5.600 4.200 4.177 4.221 . 0 0 "[ . 1 . 2]" 1
927 1 98 ASP HA 1 102 MET H 5.000 . 5.000 4.036 3.533 4.698 . 0 0 "[ . 1 . 2]" 1
928 1 99 ASN HA 1 102 MET H 5.000 . 5.000 3.924 3.674 4.282 . 0 0 "[ . 1 . 2]" 1
929 1 101 LYS H 1 102 MET H 3.400 . 3.400 2.552 2.362 2.815 . 0 0 "[ . 1 . 2]" 1
930 1 101 LYS HA 1 102 MET H 5.000 . 5.000 3.506 3.478 3.533 . 0 0 "[ . 1 . 2]" 1
931 1 101 LYS QE 1 102 MET H 6.000 . 6.000 4.135 3.704 4.972 . 0 0 "[ . 1 . 2]" 1
932 1 101 LYS QB 1 102 MET H 3.810 . 3.810 2.940 2.345 3.458 . 0 0 "[ . 1 . 2]" 1
933 1 101 LYS QG 1 102 MET H 5.000 . 5.000 3.170 1.797 4.378 0.003 19 0 "[ . 1 . 2]" 1
934 1 102 MET H 1 102 MET QG 5.000 . 5.000 3.235 2.169 4.022 . 0 0 "[ . 1 . 2]" 1
935 1 102 MET H 1 102 MET QB 2.800 . 2.800 2.197 2.066 2.499 . 0 0 "[ . 1 . 2]" 1
936 1 102 MET H 1 103 THR H 3.400 . 3.400 2.743 2.523 2.884 . 0 0 "[ . 1 . 2]" 1
937 1 102 MET H 1 103 THR HB 5.000 . 5.000 4.982 4.818 5.028 0.028 16 0 "[ . 1 . 2]" 1
938 1 102 MET H 1 104 LEU H 5.000 . 5.000 4.244 4.054 4.596 . 0 0 "[ . 1 . 2]" 1
939 1 102 MET HA 1 105 GLN QB 3.810 . 3.810 2.671 2.049 3.026 . 0 0 "[ . 1 . 2]" 1
940 1 102 MET H 1 105 GLN H 5.000 . 5.000 4.634 4.491 4.792 . 0 0 "[ . 1 . 2]" 1
941 1 3 HIS HA 1 103 THR MG 6.000 . 6.000 3.433 2.497 4.252 . 0 0 "[ . 1 . 2]" 1
942 1 3 HIS HE1 1 103 THR MG 6.000 . 6.000 3.135 1.881 4.506 . 0 0 "[ . 1 . 2]" 1
943 1 18 ILE MD 1 103 THR HB 4.590 . 4.590 2.929 1.926 3.835 . 0 0 "[ . 1 . 2]" 1
944 1 99 ASN HA 1 103 THR H 5.000 . 5.000 5.022 5.005 5.051 0.051 14 0 "[ . 1 . 2]" 1
945 1 100 ILE HA 1 103 THR HB 3.810 . 3.810 3.411 3.010 3.819 0.009 10 0 "[ . 1 . 2]" 1
946 1 100 ILE HA 1 103 THR H 5.000 . 5.000 3.581 3.173 3.991 . 0 0 "[ . 1 . 2]" 1
947 1 101 LYS H 1 103 THR H 5.000 . 5.000 4.141 3.993 4.464 . 0 0 "[ . 1 . 2]" 1
948 1 102 MET HA 1 103 THR H 5.000 . 5.000 3.511 3.481 3.558 . 0 0 "[ . 1 . 2]" 1
949 1 102 MET QB 1 103 THR H 5.000 . 5.000 2.784 2.479 3.517 . 0 0 "[ . 1 . 2]" 1
950 1 103 THR H 1 103 THR HB 2.800 . 2.800 2.513 2.396 2.748 . 0 0 "[ . 1 . 2]" 1
951 1 103 THR H 1 104 LEU H 3.400 . 3.400 2.573 2.283 2.886 . 0 0 "[ . 1 . 2]" 1
952 1 103 THR H 1 105 GLN H 5.000 . 5.000 4.018 3.529 4.358 . 0 0 "[ . 1 . 2]" 1
953 1 103 THR MG 1 107 ILE MD 4.890 . 4.890 3.053 2.532 3.381 . 0 0 "[ . 1 . 2]" 1
954 1 101 LYS HA 1 104 LEU QB 3.810 . 3.810 2.886 2.184 3.407 . 0 0 "[ . 1 . 2]" 1
955 1 101 LYS HA 1 104 LEU H 5.000 . 5.000 3.277 2.857 3.828 . 0 0 "[ . 1 . 2]" 1
956 1 103 THR HB 1 104 LEU H 5.600 . 5.600 2.616 2.278 2.925 . 0 0 "[ . 1 . 2]" 1
957 1 104 LEU HA 1 104 LEU MD1 4.080 . 4.080 3.305 3.007 3.438 . 0 0 "[ . 1 . 2]" 1
958 1 104 LEU H 1 104 LEU QB 3.820 . 3.820 2.272 2.116 2.437 . 0 0 "[ . 1 . 2]" 1
959 1 104 LEU H 1 104 LEU HG 3.400 . 3.400 3.203 2.771 3.434 0.034 6 0 "[ . 1 . 2]" 1
960 1 48 LEU QB 1 105 GLN QG 6.250 . 6.250 4.141 2.763 4.966 . 0 0 "[ . 1 . 2]" 1
961 1 48 LEU QD 1 105 GLN QE 5.140 . 5.140 3.162 2.247 3.406 . 0 0 "[ . 1 . 2]" 1
962 1 101 LYS HA 1 105 GLN H 5.000 . 5.000 3.706 3.275 4.243 . 0 0 "[ . 1 . 2]" 1
963 1 102 MET HA 1 105 GLN H 5.000 . 5.000 3.656 3.194 4.075 . 0 0 "[ . 1 . 2]" 1
964 1 102 MET HA 1 105 GLN QE 5.600 . 5.600 4.748 2.944 4.995 . 0 0 "[ . 1 . 2]" 1
965 1 104 LEU H 1 105 GLN H 3.400 . 3.400 2.524 2.394 2.858 . 0 0 "[ . 1 . 2]" 1
966 1 104 LEU HG 1 105 GLN H 5.000 . 5.000 4.155 2.243 4.920 . 0 0 "[ . 1 . 2]" 1
967 1 104 LEU QB 1 105 GLN H 5.610 . 5.610 2.761 2.282 3.578 . 0 0 "[ . 1 . 2]" 1
968 1 104 LEU QD 1 105 GLN H 6.740 . 6.740 3.716 3.164 4.079 . 0 0 "[ . 1 . 2]" 1
969 1 105 GLN H 1 105 GLN QG 5.000 . 5.000 3.740 2.445 4.034 . 0 0 "[ . 1 . 2]" 1
970 1 105 GLN H 1 105 GLN QB 3.400 . 3.400 2.236 2.084 2.366 . 0 0 "[ . 1 . 2]" 1
971 1 105 GLN H 1 106 GLN QG 5.600 . 5.600 4.294 3.524 4.901 . 0 0 "[ . 1 . 2]" 1
972 1 105 GLN HA 1 108 ILE HB 3.810 . 3.810 3.726 3.263 3.836 0.026 10 0 "[ . 1 . 2]" 1
973 1 102 MET HA 1 106 GLN H 5.000 . 5.000 4.113 3.489 4.846 . 0 0 "[ . 1 . 2]" 1
974 1 103 THR HA 1 106 GLN QE 5.600 . 5.600 3.769 1.995 4.989 . 0 0 "[ . 1 . 2]" 1
975 1 105 GLN H 1 106 GLN H 3.400 . 3.400 2.866 2.654 3.014 . 0 0 "[ . 1 . 2]" 1
976 1 105 GLN QB 1 106 GLN H 2.800 . 2.800 2.406 2.165 2.504 . 0 0 "[ . 1 . 2]" 1
977 1 106 GLN H 1 106 GLN QG 3.400 . 3.400 2.216 1.965 2.480 . 0 0 "[ . 1 . 2]" 1
978 1 106 GLN H 1 107 ILE H 3.400 . 3.400 2.699 2.512 2.920 . 0 0 "[ . 1 . 2]" 1
979 1 25 ALA MB 1 107 ILE MD 4.030 . 4.030 2.086 1.857 2.430 . 0 0 "[ . 1 . 2]" 1
980 1 103 THR HA 1 107 ILE MD 6.000 . 6.000 4.996 4.818 5.015 . 0 0 "[ . 1 . 2]" 1
981 1 104 LEU HA 1 107 ILE MG 6.000 . 6.000 3.395 3.039 3.864 . 0 0 "[ . 1 . 2]" 1
982 1 104 LEU HA 1 107 ILE QG 5.000 . 5.000 4.160 3.736 4.467 . 0 0 "[ . 1 . 2]" 1
983 1 104 LEU HA 1 107 ILE HB 3.400 . 3.400 2.434 2.005 2.907 . 0 0 "[ . 1 . 2]" 1
984 1 104 LEU HA 1 107 ILE H 5.000 . 5.000 3.374 3.033 3.752 . 0 0 "[ . 1 . 2]" 1
985 1 106 GLN QB 1 107 ILE H 5.000 . 5.000 2.951 2.459 3.558 . 0 0 "[ . 1 . 2]" 1
986 1 107 ILE H 1 107 ILE QG 3.400 . 3.400 3.086 3.073 3.096 . 0 0 "[ . 1 . 2]" 1
987 1 107 ILE H 1 107 ILE HB 3.400 . 3.400 2.085 2.080 2.091 . 0 0 "[ . 1 . 2]" 1
988 1 107 ILE H 1 107 ILE MG 4.080 . 4.080 3.440 3.426 3.455 . 0 0 "[ . 1 . 2]" 1
989 1 45 ILE MG 1 108 ILE QG 6.750 . 6.750 3.799 3.018 4.760 . 0 0 "[ . 1 . 2]" 1
990 1 47 LYS HA 1 108 ILE MG 6.000 . 6.000 2.937 2.024 3.592 . 0 0 "[ . 1 . 2]" 1
991 1 47 LYS HA 1 108 ILE MD 6.000 . 6.000 4.066 2.333 4.828 . 0 0 "[ . 1 . 2]" 1
992 1 48 LEU QB 1 108 ILE HB 6.000 . 6.000 3.915 3.228 4.942 . 0 0 "[ . 1 . 2]" 1
993 1 105 GLN HA 1 108 ILE MD 6.000 . 6.000 4.047 2.403 5.004 . 0 0 "[ . 1 . 2]" 1
994 1 105 GLN HA 1 108 ILE H 5.000 . 5.000 3.811 3.456 4.049 . 0 0 "[ . 1 . 2]" 1
995 1 106 GLN HA 1 108 ILE H 5.000 . 5.000 4.771 4.125 5.015 0.015 9 0 "[ . 1 . 2]" 1
996 1 106 GLN H 1 108 ILE H 5.000 . 5.000 4.564 4.317 4.912 . 0 0 "[ . 1 . 2]" 1
997 1 107 ILE H 1 108 ILE H 3.400 . 3.400 2.905 2.772 2.985 . 0 0 "[ . 1 . 2]" 1
998 1 107 ILE HA 1 108 ILE H 5.000 . 5.000 3.579 3.526 3.595 . 0 0 "[ . 1 . 2]" 1
999 1 107 ILE MD 1 108 ILE H 6.000 . 6.000 4.620 4.487 4.948 . 0 0 "[ . 1 . 2]" 1
1000 1 108 ILE H 1 108 ILE HB 3.400 . 3.400 2.835 2.695 2.899 . 0 0 "[ . 1 . 2]" 1
1001 1 108 ILE H 1 108 ILE MD 4.080 . 4.080 2.845 2.484 3.475 . 0 0 "[ . 1 . 2]" 1
1002 1 105 GLN HA 1 109 SER H 5.000 . 5.000 4.482 3.949 5.000 . 0 0 "[ . 1 . 2]" 1
1003 1 107 ILE HA 1 109 SER H 5.000 . 5.000 4.274 3.941 4.856 . 0 0 "[ . 1 . 2]" 1
1004 1 108 ILE QG 1 109 SER QB 6.250 . 6.250 4.992 4.971 5.028 . 0 0 "[ . 1 . 2]" 1
1005 1 108 ILE MG 1 109 SER QB 6.750 . 6.750 4.668 4.187 4.895 . 0 0 "[ . 1 . 2]" 1
1006 1 108 ILE H 1 109 SER H 3.400 . 3.400 2.732 2.488 3.005 . 0 0 "[ . 1 . 2]" 1
1007 1 108 ILE HA 1 109 SER H 3.400 . 3.400 3.475 3.440 3.521 0.121 1 0 "[ . 1 . 2]" 1
1008 1 108 ILE HB 1 109 SER H 3.400 . 3.400 2.655 2.097 2.950 . 0 0 "[ . 1 . 2]" 1
1009 1 108 ILE MG 1 109 SER H 6.750 . 6.750 3.759 3.242 4.011 . 0 0 "[ . 1 . 2]" 1
1010 1 108 ILE MD 1 109 SER H 6.000 . 6.000 4.413 4.145 4.689 . 0 0 "[ . 1 . 2]" 1
1011 1 109 SER HA 1 109 SER QB 2.800 . 2.800 2.441 2.311 2.501 . 0 0 "[ . 1 . 2]" 1
1012 1 109 SER H 1 109 SER QB 2.800 . 2.800 2.185 2.081 2.264 . 0 0 "[ . 1 . 2]" 1
1013 1 109 SER H 1 110 ARG H 3.400 . 3.400 2.538 2.426 2.737 . 0 0 "[ . 1 . 2]" 1
1014 1 109 SER H 1 110 ARG QB 5.000 . 5.000 4.443 4.271 4.476 . 0 0 "[ . 1 . 2]" 1
1015 1 109 SER HA 1 112 LYS QG 3.810 . 3.810 3.200 1.692 3.426 0.108 7 0 "[ . 1 . 2]" 1
1016 1 107 ILE HA 1 110 ARG QB 3.810 . 3.810 3.060 2.188 3.403 . 0 0 "[ . 1 . 2]" 1
1017 1 107 ILE HA 1 110 ARG H 5.000 . 5.000 3.299 3.082 3.494 . 0 0 "[ . 1 . 2]" 1
1018 1 107 ILE QG 1 110 ARG H 6.750 . 6.750 4.902 4.696 5.058 . 0 0 "[ . 1 . 2]" 1
1019 1 108 ILE H 1 110 ARG H 5.000 . 5.000 3.992 3.794 4.125 . 0 0 "[ . 1 . 2]" 1
1020 1 109 SER HA 1 110 ARG H 5.000 . 5.000 3.465 3.447 3.511 . 0 0 "[ . 1 . 2]" 1
1021 1 110 ARG H 1 110 ARG QD 5.000 . 5.000 4.096 3.628 4.439 . 0 0 "[ . 1 . 2]" 1
1022 1 110 ARG H 1 110 ARG QG 5.000 . 5.000 2.822 2.486 3.712 . 0 0 "[ . 1 . 2]" 1
1023 1 110 ARG H 1 110 ARG QB 2.800 . 2.800 2.367 2.105 2.506 . 0 0 "[ . 1 . 2]" 1
1024 1 110 ARG H 1 111 TYR QD 5.610 . 5.610 4.774 4.440 5.021 . 0 0 "[ . 1 . 2]" 1
1025 1 110 ARG H 1 112 LYS H 5.000 . 5.000 3.664 3.399 4.155 . 0 0 "[ . 1 . 2]" 1
1026 1 24 PRO HA 1 111 TYR QE 5.600 . 5.600 2.904 1.991 4.108 . 0 0 "[ . 1 . 2]" 1
1027 1 25 ALA MB 1 111 TYR QE 4.590 . 4.590 2.796 1.998 3.261 . 0 0 "[ . 1 . 2]" 1
1028 1 43 SER HA 1 111 TYR QD 5.000 . 5.000 2.868 2.193 4.075 . 0 0 "[ . 1 . 2]" 1
1029 1 43 SER HA 1 111 TYR QE 5.000 . 5.000 3.543 2.632 4.455 . 0 0 "[ . 1 . 2]" 1
1030 1 107 ILE QG 1 111 TYR H 5.000 . 5.000 4.534 4.498 4.567 . 0 0 "[ . 1 . 2]" 1
1031 1 108 ILE HA 1 111 TYR QB 3.400 . 3.400 2.514 2.280 3.020 . 0 0 "[ . 1 . 2]" 1
1032 1 108 ILE HA 1 111 TYR H 5.000 . 5.000 3.356 3.271 3.513 . 0 0 "[ . 1 . 2]" 1
1033 1 108 ILE MG 1 111 TYR H 5.600 . 5.600 4.698 4.670 4.725 . 0 0 "[ . 1 . 2]" 1
1034 1 108 ILE HA 1 111 TYR QD 5.000 . 5.000 4.319 3.113 4.466 . 0 0 "[ . 1 . 2]" 1
1035 1 109 SER HA 1 111 TYR H 5.000 . 5.000 4.842 4.600 5.011 0.011 13 0 "[ . 1 . 2]" 1
1036 1 109 SER QB 1 111 TYR H 5.600 . 5.600 4.928 4.814 5.030 . 0 0 "[ . 1 . 2]" 1
1037 1 110 ARG HA 1 111 TYR H 5.000 . 5.000 3.553 3.523 3.566 . 0 0 "[ . 1 . 2]" 1
1038 1 110 ARG QG 1 111 TYR H 2.800 . 2.800 2.070 1.938 2.514 . 0 0 "[ . 1 . 2]" 1
1039 1 111 TYR H 1 111 TYR QD 3.820 . 3.820 2.915 2.590 3.413 . 0 0 "[ . 1 . 2]" 1
1040 1 111 TYR H 1 111 TYR QB 3.400 . 3.400 2.173 2.035 2.389 . 0 0 "[ . 1 . 2]" 1
1041 1 111 TYR H 1 112 LYS H 2.800 . 2.800 2.649 2.535 2.790 . 0 0 "[ . 1 . 2]" 1
1042 1 111 TYR H 1 113 ASP H 5.000 . 5.000 4.398 3.957 4.735 . 0 0 "[ . 1 . 2]" 1
1043 1 111 TYR HA 1 114 ALA MB 4.080 . 4.080 3.014 2.581 3.409 . 0 0 "[ . 1 . 2]" 1
1044 1 108 ILE MG 1 112 LYS QE 6.250 . 6.250 3.803 2.025 4.607 . 0 0 "[ . 1 . 2]" 1
1045 1 108 ILE MG 1 112 LYS QG 4.590 . 4.590 2.268 1.782 3.446 0.018 13 0 "[ . 1 . 2]" 1
1046 1 109 SER HA 1 112 LYS QB 3.810 . 3.810 3.032 2.593 3.493 . 0 0 "[ . 1 . 2]" 1
1047 1 109 SER HA 1 112 LYS H 5.000 . 5.000 3.984 3.766 4.172 . 0 0 "[ . 1 . 2]" 1
1048 1 110 ARG HA 1 112 LYS H 5.000 . 5.000 4.268 3.746 4.916 . 0 0 "[ . 1 . 2]" 1
1049 1 111 TYR QD 1 112 LYS H 5.610 . 5.610 4.547 4.463 4.717 . 0 0 "[ . 1 . 2]" 1
1050 1 111 TYR HA 1 112 LYS H 5.000 . 5.000 3.498 3.370 3.560 . 0 0 "[ . 1 . 2]" 1
1051 1 111 TYR QB 1 112 LYS H 5.000 . 5.000 2.805 2.492 3.215 . 0 0 "[ . 1 . 2]" 1
1052 1 112 LYS HA 1 112 LYS QE 5.000 . 5.000 2.779 1.866 4.458 . 0 0 "[ . 1 . 2]" 1
1053 1 112 LYS H 1 112 LYS QB 2.800 . 2.800 2.255 2.024 2.589 . 0 0 "[ . 1 . 2]" 1
1054 1 112 LYS H 1 112 LYS QD 5.000 . 5.000 4.178 3.738 4.522 . 0 0 "[ . 1 . 2]" 1
1055 1 112 LYS H 1 112 LYS QG 3.400 . 3.400 2.627 1.881 3.103 . 0 0 "[ . 1 . 2]" 1
1056 1 112 LYS H 1 113 ASP QB 5.600 . 5.600 4.498 4.269 4.616 . 0 0 "[ . 1 . 2]" 1
1057 1 109 SER HA 1 113 ASP H 5.000 . 5.000 4.685 3.770 5.002 0.002 4 0 "[ . 1 . 2]" 1
1058 1 110 ARG HA 1 113 ASP QB 3.810 . 3.810 3.261 2.864 3.427 . 0 0 "[ . 1 . 2]" 1
1059 1 110 ARG HA 1 113 ASP H 5.000 . 5.000 3.711 3.537 4.372 . 0 0 "[ . 1 . 2]" 1
1060 1 112 LYS H 1 113 ASP H 2.800 . 2.800 2.752 2.515 2.847 0.047 7 0 "[ . 1 . 2]" 1
1061 1 112 LYS QE 1 113 ASP H 5.000 . 5.000 4.399 3.817 4.488 . 0 0 "[ . 1 . 2]" 1
1062 1 112 LYS QB 1 113 ASP H 3.136 . 3.136 2.633 2.274 3.006 . 0 0 "[ . 1 . 2]" 1
1063 1 112 LYS QD 1 113 ASP H 5.600 . 5.600 4.646 2.020 5.026 . 0 0 "[ . 1 . 2]" 1
1064 1 113 ASP H 1 113 ASP QB 3.140 . 3.140 2.187 2.079 2.266 . 0 0 "[ . 1 . 2]" 1
1065 1 113 ASP H 1 113 ASP HA 2.800 . 2.800 2.822 2.718 2.843 0.043 6 0 "[ . 1 . 2]" 1
1066 1 113 ASP HA 1 114 ALA MB 5.600 . 5.600 4.729 4.693 4.767 . 0 0 "[ . 1 . 2]" 1
1067 1 113 ASP H 1 114 ALA H 3.400 . 3.400 2.700 2.633 2.899 . 0 0 "[ . 1 . 2]" 1
1068 1 113 ASP H 1 114 ALA MB 6.000 . 6.000 4.210 4.072 4.586 . 0 0 "[ . 1 . 2]" 1
1069 1 112 LYS QB 1 114 ALA H 5.600 . 5.600 4.324 4.136 4.676 . 0 0 "[ . 1 . 2]" 1
1070 1 113 ASP QB 1 114 ALA HA 5.600 . 5.600 4.296 4.113 4.533 . 0 0 "[ . 1 . 2]" 1
1071 1 113 ASP HA 1 114 ALA H 5.000 . 5.000 3.315 3.259 3.455 . 0 0 "[ . 1 . 2]" 1
1072 1 113 ASP QB 1 114 ALA H 3.820 . 3.820 3.324 2.963 3.417 . 0 0 "[ . 1 . 2]" 1
1073 1 114 ALA H 1 114 ALA MB 3.360 . 3.360 2.450 2.372 2.566 . 0 0 "[ . 1 . 2]" 1
1074 1 112 LYS HA 1 115 ASP QB 3.130 . 3.130 2.758 2.097 2.798 . 0 0 "[ . 1 . 2]" 1
1075 1 114 ALA H 1 115 ASP H 2.800 . 2.800 2.013 1.934 2.291 . 0 0 "[ . 1 . 2]" 1
1076 1 114 ALA HA 1 115 ASP H 5.000 . 5.000 3.526 3.491 3.572 . 0 0 "[ . 1 . 2]" 1
1077 1 114 ALA MB 1 115 ASP H 3.360 . 3.360 2.617 2.155 2.805 . 0 0 "[ . 1 . 2]" 1
1078 1 115 ASP H 1 115 ASP HA 2.800 . 2.800 2.766 2.281 2.801 0.001 12 0 "[ . 1 . 2]" 1
1079 1 115 ASP H 1 115 ASP QB 3.140 . 3.140 2.245 2.042 2.822 . 0 0 "[ . 1 . 2]" 1
1080 2 14 GLU HB3 2 14 GLU QG 2.800 . 2.800 2.266 2.131 2.498 . 0 0 "[ . 1 . 2]" 1
1081 2 14 GLU HB2 2 14 GLU QG 2.800 . 2.800 2.369 2.131 2.499 . 0 0 "[ . 1 . 2]" 1
1082 2 14 GLU HA 2 14 GLU QG 3.400 . 3.400 2.512 2.107 3.061 . 0 0 "[ . 1 . 2]" 1
1083 2 14 GLU QG 2 17 ASP QB 6.750 . 6.750 4.951 2.611 5.368 . 0 0 "[ . 1 . 2]" 1
1084 2 15 GLU QG 2 17 ASP H 5.610 . 5.610 4.919 4.231 5.039 . 0 0 "[ . 1 . 2]" 1
1085 2 15 GLU HB2 2 17 ASP H 5.000 . 5.000 4.570 3.373 5.075 0.075 13 0 "[ . 1 . 2]" 1
1086 2 15 GLU HB3 2 17 ASP H 5.000 . 5.000 3.925 2.680 5.076 0.076 11 0 "[ . 1 . 2]" 1
1087 2 17 ASP H 2 17 ASP HA 2.800 . 2.800 2.705 2.333 2.887 0.087 14 0 "[ . 1 . 2]" 1
1088 2 17 ASP H 2 18 GLU QG 5.610 . 5.610 4.470 3.212 5.015 . 0 0 "[ . 1 . 2]" 1
1089 2 17 ASP H 2 19 ARG H 2.800 . 2.800 2.828 2.718 2.918 0.118 12 0 "[ . 1 . 2]" 1
1090 2 17 ASP HA 2 18 GLU H 2.800 . 2.800 2.462 2.137 3.173 0.373 14 0 "[ . 1 . 2]" 1
1091 2 17 ASP HB2 2 18 GLU H 5.000 . 5.000 4.413 1.926 4.661 . 0 0 "[ . 1 . 2]" 1
1092 2 17 ASP H 2 18 GLU H 3.400 . 3.400 2.916 1.896 3.538 0.138 14 0 "[ . 1 . 2]" 1
1093 2 18 GLU H 2 18 GLU HB3 3.400 . 3.400 3.078 2.831 3.444 0.044 17 0 "[ . 1 . 2]" 1
1094 2 18 GLU H 2 19 ARG H 3.400 . 3.400 2.603 1.693 3.049 0.107 17 0 "[ . 1 . 2]" 1
1095 2 18 GLU QG 2 19 ARG QD 4.280 . 4.280 3.365 3.099 3.411 . 0 0 "[ . 1 . 2]" 1
1096 2 18 GLU QG 2 19 ARG HA 5.610 . 5.610 4.112 3.774 4.336 . 0 0 "[ . 1 . 2]" 1
1097 2 17 ASP HA 2 19 ARG H 5.000 . 5.000 4.153 3.531 4.547 . 0 0 "[ . 1 . 2]" 1
1098 2 18 GLU HB3 2 19 ARG H 5.000 . 5.000 4.525 3.961 4.642 . 0 0 "[ . 1 . 2]" 1
1099 2 18 GLU HB2 2 19 ARG H 5.000 . 5.000 4.458 4.044 4.596 . 0 0 "[ . 1 . 2]" 1
1100 2 18 GLU QG 2 19 ARG H 5.610 . 5.610 3.586 2.030 3.935 . 0 0 "[ . 1 . 2]" 1
1101 2 19 ARG H 2 19 ARG HA 2.800 . 2.800 2.890 2.855 2.918 0.118 3 0 "[ . 1 . 2]" 1
1102 2 19 ARG H 2 19 ARG HB2 3.400 . 3.400 2.774 2.530 2.971 . 0 0 "[ . 1 . 2]" 1
1103 2 19 ARG H 2 19 ARG QG 3.820 . 3.820 3.283 2.946 3.408 . 0 0 "[ . 1 . 2]" 1
1104 2 19 ARG H 2 20 GLY H 3.400 . 3.400 2.425 1.781 3.439 0.039 10 0 "[ . 1 . 2]" 1
1105 2 19 ARG H 2 20 GLY HA3 5.000 . 5.000 4.444 3.968 4.760 . 0 0 "[ . 1 . 2]" 1
1106 2 19 ARG H 2 21 ALA H 2.800 . 2.800 2.816 2.615 2.905 0.105 17 0 "[ . 1 . 2]" 1
1107 2 19 ARG HA 2 22 ASP HB3 5.000 . 5.000 4.350 2.646 5.029 0.029 11 0 "[ . 1 . 2]" 1
1108 2 19 ARG HA 2 22 ASP HB2 5.000 . 5.000 4.830 3.490 5.037 0.037 13 0 "[ . 1 . 2]" 1
1109 2 19 ARG HA 2 20 GLY H 3.400 . 3.400 3.185 2.210 3.523 0.123 16 0 "[ . 1 . 2]" 1
1110 2 19 ARG HB2 2 20 GLY H 5.000 . 5.000 2.981 2.022 4.502 . 0 0 "[ . 1 . 2]" 1
1111 2 19 ARG QG 2 20 GLY H 5.610 . 5.610 4.234 3.855 4.821 . 0 0 "[ . 1 . 2]" 1
1112 2 20 GLY H 2 20 GLY HA2 2.800 . 2.800 2.762 2.350 2.929 0.129 8 0 "[ . 1 . 2]" 1
1113 2 20 GLY QA 2 23 ALA MB 6.740 . 6.740 5.006 4.650 5.057 . 0 0 "[ . 1 . 2]" 1
1114 2 18 GLU HA 2 21 ALA MB 6.000 . 6.000 4.496 3.947 5.022 . 0 0 "[ . 1 . 2]" 1
1115 2 20 GLY H 2 21 ALA H 2.800 . 2.800 2.512 1.990 2.842 0.042 6 0 "[ . 1 . 2]" 1
1116 2 21 ALA H 2 21 ALA MB 3.360 . 3.360 2.719 2.520 2.811 . 0 0 "[ . 1 . 2]" 1
1117 2 21 ALA H 2 22 ASP H 2.800 . 2.800 2.524 2.082 2.837 0.037 17 0 "[ . 1 . 2]" 1
1118 2 20 GLY H 2 22 ASP H 5.000 . 5.000 4.607 3.644 5.021 0.021 18 0 "[ . 1 . 2]" 1
1119 2 21 ALA HA 2 22 ASP H 3.400 . 3.400 2.709 2.564 2.919 . 0 0 "[ . 1 . 2]" 1
1120 2 21 ALA MB 2 22 ASP H 6.000 . 6.000 3.710 3.643 3.726 . 0 0 "[ . 1 . 2]" 1
1121 2 22 ASP H 2 22 ASP HB2 3.400 . 3.400 3.206 2.914 3.400 . 0 0 "[ . 1 . 2]" 1
1122 2 22 ASP H 2 23 ALA H 5.000 . 5.000 2.504 1.906 2.986 . 0 0 "[ . 1 . 2]" 1
1123 2 22 ASP H 2 24 THR H 5.000 . 5.000 4.691 2.890 5.031 0.031 19 0 "[ . 1 . 2]" 1
1124 2 21 ALA H 2 23 ALA H 5.000 . 5.000 4.869 4.156 5.028 0.028 13 0 "[ . 1 . 2]" 1
1125 2 22 ASP HA 2 23 ALA H 3.400 . 3.400 2.837 2.511 3.521 0.121 5 0 "[ . 1 . 2]" 1
1126 2 22 ASP HB2 2 23 ALA H 5.000 . 5.000 4.389 3.117 4.657 . 0 0 "[ . 1 . 2]" 1
1127 2 23 ALA H 2 24 THR H 5.000 . 5.000 2.507 1.797 4.119 0.003 16 0 "[ . 1 . 2]" 1
1128 2 23 ALA HA 2 26 ASP HB2 5.000 . 5.000 4.978 4.567 5.069 0.069 9 0 "[ . 1 . 2]" 1
1129 2 23 ALA HA 2 26 ASP HB3 5.000 . 5.000 4.985 4.709 5.070 0.070 9 0 "[ . 1 . 2]" 1
1130 2 23 ALA HA 2 24 THR H 3.400 . 3.400 2.798 2.289 3.417 0.017 17 0 "[ . 1 . 2]" 1
1131 2 23 ALA MB 2 24 THR H 6.000 . 6.000 3.607 3.072 3.734 . 0 0 "[ . 1 . 2]" 1
1132 2 23 ALA MB 2 24 THR MG 7.210 . 7.210 4.157 3.643 5.080 . 0 0 "[ . 1 . 2]" 1
1133 2 23 ALA MB 2 24 THR HA 6.000 . 6.000 4.167 3.881 4.260 . 0 0 "[ . 1 . 2]" 1
1134 2 24 THR H 2 25 TRP HB2 5.000 . 5.000 4.620 4.221 5.020 0.020 7 0 "[ . 1 . 2]" 1
1135 2 24 THR HA 2 27 LEU QB 5.610 . 5.610 4.339 2.792 4.711 . 0 0 "[ . 1 . 2]" 1
1136 2 24 THR HA 2 25 TRP H 3.400 . 3.400 3.391 3.184 3.523 0.123 5 0 "[ . 1 . 2]" 1
1137 2 24 THR MG 2 25 TRP H 6.000 . 6.000 4.203 2.062 4.479 . 0 0 "[ . 1 . 2]" 1
1138 2 25 TRP H 2 25 TRP HD1 5.000 . 5.000 4.005 3.826 4.179 . 0 0 "[ . 1 . 2]" 1
1139 2 25 TRP H 2 25 TRP HE1 5.000 . 5.000 4.838 4.615 5.136 0.136 19 0 "[ . 1 . 2]" 1
1140 2 25 TRP HA 2 25 TRP HE3 5.000 . 5.000 2.109 1.850 2.319 . 0 0 "[ . 1 . 2]" 1
1141 2 25 TRP HA 2 25 TRP HD1 5.000 . 5.000 4.915 4.826 4.954 . 0 0 "[ . 1 . 2]" 1
1142 2 25 TRP H 2 26 ASP H 5.000 . 5.000 3.124 2.617 3.911 . 0 0 "[ . 1 . 2]" 1
1143 2 25 TRP HB2 2 26 ASP H 5.000 . 5.000 4.183 3.824 4.395 . 0 0 "[ . 1 . 2]" 1
1144 2 25 TRP HB3 2 26 ASP H 5.000 . 5.000 4.537 4.232 4.620 . 0 0 "[ . 1 . 2]" 1
1145 2 25 TRP HA 2 26 ASP H 3.400 . 3.400 2.794 2.351 3.179 . 0 0 "[ . 1 . 2]" 1
1146 2 26 ASP HA 2 27 LEU H 3.400 . 3.400 3.089 2.468 3.520 0.120 20 0 "[ . 1 . 2]" 1
1147 2 26 ASP HA 2 27 LEU MD2 6.000 . 6.000 4.916 4.427 5.054 . 0 0 "[ . 1 . 2]" 1
1148 2 27 LEU H 2 27 LEU HG 5.000 . 5.000 3.972 2.849 4.564 . 0 0 "[ . 1 . 2]" 1
1149 2 27 LEU HA 2 27 LEU MD2 4.080 . 4.080 3.355 2.592 3.607 . 0 0 "[ . 1 . 2]" 1
1150 2 27 LEU HA 2 27 LEU MD1 4.080 . 4.080 3.161 1.883 3.743 . 0 0 "[ . 1 . 2]" 1
1151 2 27 LEU H 2 28 ASP H 5.000 . 5.000 2.129 1.743 3.007 0.057 19 0 "[ . 1 . 2]" 1
1152 2 27 LEU HA 2 28 ASP H 3.400 . 3.400 3.335 2.985 3.489 0.089 7 0 "[ . 1 . 2]" 1
1153 2 27 LEU QB 2 28 ASP H 5.610 . 5.610 3.483 1.791 4.004 0.009 9 0 "[ . 1 . 2]" 1
1154 2 27 LEU MD2 2 28 ASP H 6.000 . 6.000 2.517 1.900 4.183 . 0 0 "[ . 1 . 2]" 1
1155 2 27 LEU MD1 2 28 ASP HA 6.000 . 6.000 4.983 4.541 5.161 . 0 0 "[ . 1 . 2]" 1
1156 2 28 ASP H 2 28 ASP HB3 3.400 . 3.400 2.958 2.438 3.416 0.016 16 0 "[ . 1 . 2]" 1
1157 2 28 ASP H 2 28 ASP HB2 3.400 . 3.400 2.776 2.163 3.557 0.157 2 0 "[ . 1 . 2]" 1
1158 2 26 ASP HA 2 29 LEU QB 5.600 . 5.600 4.903 3.685 5.056 . 0 0 "[ . 1 . 2]" 1
1159 2 26 ASP HA 2 29 LEU MD1 6.000 . 6.000 4.789 4.217 5.036 . 0 0 "[ . 1 . 2]" 1
1160 2 28 ASP H 2 29 LEU H 5.000 . 5.000 3.777 2.105 4.327 . 0 0 "[ . 1 . 2]" 1
1161 2 28 ASP HB2 2 29 LEU H 5.000 . 5.000 3.341 1.904 3.967 . 0 0 "[ . 1 . 2]" 1
1162 2 28 ASP HA 2 29 LEU H 3.400 . 3.400 3.066 2.801 3.504 0.104 10 0 "[ . 1 . 2]" 1
1163 2 29 LEU H 2 29 LEU QB 3.820 . 3.820 3.024 2.285 3.227 . 0 0 "[ . 1 . 2]" 1
1164 2 29 LEU H 2 29 LEU HG 3.400 . 3.400 3.411 3.055 3.543 0.143 10 0 "[ . 1 . 2]" 1
1165 2 29 LEU HA 2 29 LEU MD1 4.080 . 4.080 3.098 1.985 3.346 . 0 0 "[ . 1 . 2]" 1
1166 2 29 LEU HA 2 29 LEU MD2 4.080 . 4.080 3.242 1.891 3.512 . 0 0 "[ . 1 . 2]" 1
1167 2 29 LEU HB2 2 29 LEU MD2 3.360 . 3.360 2.701 2.049 2.884 . 0 0 "[ . 1 . 2]" 1
1168 2 27 LEU HA 2 30 LEU QD 6.740 . 6.740 3.960 2.595 5.002 . 0 0 "[ . 1 . 2]" 1
1169 2 30 LEU H 2 30 LEU QB 3.820 . 3.820 3.386 2.837 3.438 . 0 0 "[ . 1 . 2]" 1
1170 2 30 LEU H 2 30 LEU HG 3.400 . 3.400 2.796 2.611 3.401 0.001 7 0 "[ . 1 . 2]" 1
1171 2 30 LEU HB2 2 30 LEU MD2 3.360 . 3.360 2.657 2.372 2.819 . 0 0 "[ . 1 . 2]" 1
1172 2 30 LEU H 2 31 LEU H 2.800 . 2.800 2.496 1.970 2.821 0.021 4 0 "[ . 1 . 2]" 1
1173 2 31 LEU H 2 31 LEU HG 3.400 . 3.400 2.705 1.973 3.407 0.007 16 0 "[ . 1 . 2]" 1
1174 2 31 LEU H 2 31 LEU QB 3.820 . 3.820 2.719 2.322 3.298 . 0 0 "[ . 1 . 2]" 1
1175 2 31 LEU HA 2 31 LEU HG 3.400 . 3.400 2.931 2.414 3.475 0.075 1 0 "[ . 1 . 2]" 1
1176 2 31 LEU H 2 32 THR MG 6.000 . 6.000 4.935 4.537 5.013 . 0 0 "[ . 1 . 2]" 1
1177 2 31 LEU QB 2 32 THR H 5.610 . 5.610 2.239 1.886 3.649 . 0 0 "[ . 1 . 2]" 1
1178 2 31 LEU HG 2 32 THR H 5.000 . 5.000 4.323 2.518 5.021 0.021 2 0 "[ . 1 . 2]" 1
1179 2 31 LEU QD 2 32 THR H 6.740 . 6.740 3.363 1.922 4.390 . 0 0 "[ . 1 . 2]" 1
1180 2 32 THR H 2 32 THR HA 2.800 . 2.800 2.646 2.276 2.923 0.123 4 0 "[ . 1 . 2]" 1
1181 2 32 THR HA 2 33 ASN H 5.000 . 5.000 2.408 2.142 2.853 . 0 0 "[ . 1 . 2]" 1
1182 2 32 THR HB 2 33 ASN H 5.000 . 5.000 3.787 1.981 4.640 . 0 0 "[ . 1 . 2]" 1
1183 2 33 ASN HB2 2 34 PHE H 2.800 . 2.800 2.459 1.975 2.805 0.005 20 0 "[ . 1 . 2]" 1
1184 2 34 PHE H 2 35 SER H 2.800 . 2.800 2.391 1.998 2.805 0.005 14 0 "[ . 1 . 2]" 1
1185 2 33 ASN H 2 35 SER H 5.000 . 5.000 4.000 2.596 5.005 0.005 2 0 "[ . 1 . 2]" 1
1186 2 34 PHE QD 2 35 SER H 5.610 . 5.610 4.295 2.681 4.966 . 0 0 "[ . 1 . 2]" 1
1187 2 35 SER H 2 36 GLY H 5.000 . 5.000 3.686 1.998 4.620 . 0 0 "[ . 1 . 2]" 1
1188 2 35 SER HA 2 36 GLY H 5.000 . 5.000 2.609 2.142 3.572 . 0 0 "[ . 1 . 2]" 1
1189 2 35 SER QB 2 36 GLY H 5.610 . 5.610 3.270 1.964 4.000 . 0 0 "[ . 1 . 2]" 1
1190 2 36 GLY H 2 37 PRO QD 5.610 . 5.610 3.500 2.052 4.387 . 0 0 "[ . 1 . 2]" 1
1191 2 36 GLY QA 2 37 PRO HD3 3.140 . 3.140 2.379 2.009 2.784 . 0 0 "[ . 1 . 2]" 1
1192 2 36 GLY QA 2 37 PRO HG3 5.610 . 5.610 4.302 4.036 4.487 . 0 0 "[ . 1 . 2]" 1
1193 1 47 LYS HA 2 29 LEU QD 6.750 3.000 6.750 5.008 4.740 5.040 . 0 0 "[ . 1 . 2]" 1
1194 1 49 GLN HA 2 28 ASP HA 5.000 . 5.000 4.438 3.082 5.062 0.062 17 0 "[ . 1 . 2]" 1
1195 1 49 GLN QB 2 28 ASP HA 5.600 . 5.600 4.673 2.342 5.022 . 0 0 "[ . 1 . 2]" 1
1196 1 49 GLN QG 2 28 ASP HA 5.600 . 5.600 4.278 3.771 4.993 . 0 0 "[ . 1 . 2]" 1
1197 1 51 THR MG 2 25 TRP HH2 6.000 . 6.000 5.082 5.008 5.134 . 0 0 "[ . 1 . 2]" 1
1198 1 51 THR MG 2 25 TRP HZ3 6.000 . 6.000 4.938 4.566 5.084 . 0 0 "[ . 1 . 2]" 1
1199 1 55 SER QB 2 27 LEU QD 7.550 3.000 7.550 4.866 3.333 5.056 . 0 0 "[ . 1 . 2]" 1
1200 1 59 MET ME 2 24 THR MG 7.200 . 7.200 2.422 1.732 3.579 0.068 14 0 "[ . 1 . 2]" 1
1201 1 59 MET ME 2 24 THR HB 6.000 . 6.000 3.356 1.753 3.834 0.047 19 0 "[ . 1 . 2]" 1
1202 1 59 MET ME 2 25 TRP HE3 6.000 . 6.000 5.077 5.047 5.108 . 0 0 "[ . 1 . 2]" 1
1203 1 59 MET ME 2 25 TRP HZ3 6.000 . 6.000 4.298 4.093 4.476 . 0 0 "[ . 1 . 2]" 1
1204 1 59 MET ME 2 25 TRP HH2 6.000 . 6.000 3.669 3.323 4.254 . 0 0 "[ . 1 . 2]" 1
1205 1 59 MET ME 2 25 TRP HZ2 6.000 . 6.000 3.866 3.222 4.901 . 0 0 "[ . 1 . 2]" 1
1206 1 58 MET ME 2 20 GLY QA 7.200 . 7.200 5.376 5.361 5.395 . 0 0 "[ . 1 . 2]" 1
1207 1 59 MET ME 2 21 ALA HA 6.000 . 6.000 2.000 1.776 2.751 0.024 14 0 "[ . 1 . 2]" 1
1208 1 88 MET ME 2 21 ALA MB 6.750 . 6.750 2.767 2.271 3.600 . 0 0 "[ . 1 . 2]" 1
1209 1 88 MET ME 2 21 ALA HA 6.000 . 6.000 2.225 1.717 3.699 0.083 17 0 "[ . 1 . 2]" 1
1210 1 59 MET ME 2 22 ASP QB 6.250 . 6.250 4.133 3.760 4.503 . 0 0 "[ . 1 . 2]" 1
1211 1 88 MET ME 2 22 ASP QB 6.750 . 6.750 5.010 4.786 5.088 . 0 0 "[ . 1 . 2]" 1
1212 1 54 SER QB 2 23 ALA HA 6.750 . 6.750 4.556 4.294 5.315 . 0 0 "[ . 1 . 2]" 1
1213 1 54 SER HA 2 23 ALA MB 6.000 . 6.000 5.120 5.081 5.160 . 0 0 "[ . 1 . 2]" 1
1214 1 54 SER QB 2 23 ALA MB 6.250 . 6.250 2.931 2.667 3.769 . 0 0 "[ . 1 . 2]" 1
1215 1 57 LYS QB 2 23 ALA HA 6.750 . 6.750 5.900 4.972 6.129 . 0 0 "[ . 1 . 2]" 1
1216 1 57 LYS QE 2 23 ALA HA 6.750 . 6.750 5.041 3.584 6.054 . 0 0 "[ . 1 . 2]" 1
1217 1 59 MET QB 2 25 TRP HH2 5.600 . 5.600 4.722 3.078 5.038 . 0 0 "[ . 1 . 2]" 1
1218 1 59 MET QG 2 25 TRP HH2 5.600 . 5.600 3.703 3.259 4.952 . 0 0 "[ . 1 . 2]" 1
1219 1 59 MET QG 2 25 TRP HZ2 5.600 . 5.600 4.910 4.605 5.047 . 0 0 "[ . 1 . 2]" 1
1220 1 61 ARG HA 2 25 TRP HH2 5.000 . 5.000 4.674 3.746 5.053 0.053 17 0 "[ . 1 . 2]" 1
1221 1 61 ARG HA 2 25 TRP HZ3 5.000 . 5.000 4.690 4.281 4.937 . 0 0 "[ . 1 . 2]" 1
1222 1 88 MET HA 2 25 TRP HH2 5.000 . 5.000 3.815 2.850 4.346 . 0 0 "[ . 1 . 2]" 1
1223 1 88 MET QG 2 25 TRP HH2 5.600 . 5.600 1.948 1.711 3.423 0.089 3 0 "[ . 1 . 2]" 1
1224 1 88 MET QB 2 25 TRP HH2 5.600 . 5.600 3.385 2.470 3.868 . 0 0 "[ . 1 . 2]" 1
1225 1 88 MET HA 2 25 TRP HZ3 5.000 . 5.000 5.006 4.731 5.097 0.097 3 0 "[ . 1 . 2]" 1
1226 1 50 ALA MB 2 27 LEU QD 8.100 . 8.100 3.311 2.747 3.767 . 0 0 "[ . 1 . 2]" 1
1227 1 59 MET ME 2 27 LEU QD 8.100 . 8.100 4.354 4.073 4.673 . 0 0 "[ . 1 . 2]" 1
1228 1 88 MET ME 2 27 LEU QD 8.100 . 8.100 5.110 5.020 5.143 . 0 0 "[ . 1 . 2]" 1
1229 1 88 MET ME 2 23 ALA MB 7.200 . 7.200 4.996 4.840 5.071 . 0 0 "[ . 1 . 2]" 1
1230 1 88 MET ME 2 24 THR HB 6.000 . 6.000 3.314 2.455 3.807 . 0 0 "[ . 1 . 2]" 1
1231 1 88 MET ME 2 25 TRP HE3 6.000 . 6.000 4.573 4.028 4.773 . 0 0 "[ . 1 . 2]" 1
1232 1 88 MET ME 2 25 TRP HZ2 6.000 . 6.000 2.179 1.810 2.640 . 0 0 "[ . 1 . 2]" 1
1233 1 101 LYS QE 2 27 LEU QD 5.140 . 5.140 3.426 3.390 3.448 . 0 0 "[ . 1 . 2]" 1
1234 1 101 LYS QE 2 27 LEU HG 5.600 . 5.600 4.758 4.206 5.036 . 0 0 "[ . 1 . 2]" 1
1235 1 105 GLN HA 2 31 LEU QD 7.550 3.000 7.550 3.640 2.452 4.865 0.548 13 1 "[ . 1 + . 2]" 1
1236 1 105 GLN QG 2 31 LEU QD 6.000 4.000 6.000 3.011 2.639 3.604 1.361 3 19 [**+******1***-******] 1
1237 1 105 GLN QG 2 31 LEU HG 6.750 3.000 6.750 5.074 3.730 6.017 . 0 0 "[ . 1 . 2]" 1
1238 1 111 TYR HA 2 32 THR MG 6.750 3.000 6.750 5.656 5.634 5.697 . 0 0 "[ . 1 . 2]" 1
1239 1 112 LYS QE 2 31 LEU QD 7.550 3.000 7.550 4.329 3.411 4.993 . 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 36
_Distance_constraint_stats_list.Viol_count 36
_Distance_constraint_stats_list.Viol_total 15.816
_Distance_constraint_stats_list.Viol_max 0.047
_Distance_constraint_stats_list.Viol_rms 0.0058
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0220
_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 5 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ILE 0.123 0.043 2 0 "[ . 1 . 2]"
1 15 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASN 0.604 0.047 9 0 "[ . 1 . 2]"
1 26 GLU 0.604 0.047 9 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LYS 0.040 0.026 3 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.017 0.017 11 0 "[ . 1 . 2]"
1 61 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LEU 0.007 0.007 19 0 "[ . 1 . 2]"
1 63 ILE 0.040 0.026 3 0 "[ . 1 . 2]"
1 87 HIS 0.007 0.007 19 0 "[ . 1 . 2]"
1 89 PHE 0.017 0.017 11 0 "[ . 1 . 2]"
1 90 SER 0.123 0.043 2 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 19 ASN O 1 26 GLU H 2.000 . 2.500 2.530 2.504 2.547 0.047 9 0 "[ . 1 . 2]" 2
2 1 19 ASN O 1 26 GLU N 3.000 2.300 3.500 3.042 2.977 3.136 . 0 0 "[ . 1 . 2]" 2
3 1 27 LEU H 1 40 VAL O 2.000 . 2.500 2.110 1.838 2.248 . 0 0 "[ . 1 . 2]" 2
4 1 27 LEU N 1 40 VAL O 3.000 2.300 3.500 3.046 2.795 3.177 . 0 0 "[ . 1 . 2]" 2
5 1 17 ALA O 1 28 THR H 2.000 . 2.500 2.002 1.762 2.277 . 0 0 "[ . 1 . 2]" 2
6 1 17 ALA O 1 28 THR N 3.000 2.300 3.500 2.775 2.542 2.988 . 0 0 "[ . 1 . 2]" 2
7 1 29 TRP H 1 38 HIS O 2.000 . 2.500 1.596 1.489 1.786 . 0 0 "[ . 1 . 2]" 2
8 1 29 TRP N 1 38 HIS O 3.000 2.300 3.500 2.471 2.428 2.527 . 0 0 "[ . 1 . 2]" 2
9 1 15 ILE O 1 30 ARG H 2.000 . 2.500 1.989 1.846 2.243 . 0 0 "[ . 1 . 2]" 2
10 1 15 ILE O 1 30 ARG N 3.000 2.300 3.500 2.887 2.770 3.101 . 0 0 "[ . 1 . 2]" 2
11 1 5 GLY O 1 16 ILE H 2.000 . 2.500 1.611 1.557 1.661 . 0 0 "[ . 1 . 2]" 2
12 1 5 GLY O 1 16 ILE N 3.000 2.300 3.500 2.509 2.455 2.538 . 0 0 "[ . 1 . 2]" 2
13 1 17 ALA H 1 28 THR O 2.000 . 2.500 2.057 1.721 2.293 . 0 0 "[ . 1 . 2]" 2
14 1 17 ALA N 1 28 THR O 3.000 2.300 3.500 2.994 2.691 3.236 . 0 0 "[ . 1 . 2]" 2
15 1 60 LEU H 1 89 PHE O 2.000 . 2.500 1.829 1.587 2.517 0.017 11 0 "[ . 1 . 2]" 2
16 1 60 LEU N 1 89 PHE O 3.000 2.300 3.500 2.625 2.465 3.387 . 0 0 "[ . 1 . 2]" 2
17 1 62 LEU H 1 87 HIS O 2.000 . 2.500 2.095 1.777 2.507 0.007 19 0 "[ . 1 . 2]" 2
18 1 62 LEU N 1 87 HIS O 3.000 2.300 3.500 3.017 2.715 3.382 . 0 0 "[ . 1 . 2]" 2
19 1 47 LYS O 1 63 ILE H 2.000 . 2.500 2.144 1.667 2.526 0.026 3 0 "[ . 1 . 2]" 2
20 1 47 LYS O 1 63 ILE N 3.000 2.300 3.500 3.050 2.586 3.449 . 0 0 "[ . 1 . 2]" 2
21 1 49 GLN H 1 61 ARG O 2.000 . 2.500 1.862 1.614 2.263 . 0 0 "[ . 1 . 2]" 2
22 1 49 GLN N 1 61 ARG O 3.000 2.300 3.500 2.771 2.546 3.180 . 0 0 "[ . 1 . 2]" 2
23 1 49 GLN O 1 61 ARG H 2.000 . 2.500 1.758 1.606 2.119 . 0 0 "[ . 1 . 2]" 2
24 1 49 GLN O 1 61 ARG N 3.000 2.300 3.500 2.693 2.488 2.992 . 0 0 "[ . 1 . 2]" 2
25 1 60 LEU O 1 89 PHE H 2.000 . 2.500 1.731 1.609 1.942 . 0 0 "[ . 1 . 2]" 2
26 1 60 LEU O 1 89 PHE N 3.000 2.300 3.500 2.577 2.534 2.706 . 0 0 "[ . 1 . 2]" 2
27 1 8 ILE H 1 90 SER O 2.000 . 2.500 2.467 2.239 2.543 0.043 2 0 "[ . 1 . 2]" 2
28 1 8 ILE N 1 90 SER O 3.000 2.300 3.500 3.152 2.909 3.248 . 0 0 "[ . 1 . 2]" 2
29 1 15 ILE H 1 30 ARG O 2.000 . 2.500 1.669 1.595 1.840 . 0 0 "[ . 1 . 2]" 2
30 1 15 ILE N 1 30 ARG O 3.000 2.300 3.500 2.585 2.516 2.753 . 0 0 "[ . 1 . 2]" 2
31 1 29 TRP O 1 38 HIS H 2.000 . 2.500 1.581 1.465 1.746 . 0 0 "[ . 1 . 2]" 2
32 1 29 TRP O 1 38 HIS N 3.000 2.300 3.500 2.460 2.400 2.511 . 0 0 "[ . 1 . 2]" 2
33 1 27 LEU O 1 40 VAL H 2.000 . 2.500 1.888 1.763 2.004 . 0 0 "[ . 1 . 2]" 2
34 1 27 LEU O 1 40 VAL N 3.000 2.300 3.500 2.693 2.560 2.845 . 0 0 "[ . 1 . 2]" 2
35 1 8 ILE O 1 90 SER H 2.000 . 2.500 2.350 2.222 2.505 0.005 2 0 "[ . 1 . 2]" 2
36 1 8 ILE O 1 90 SER N 3.000 2.300 3.500 3.299 3.154 3.464 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 11, 2024 11:18:20 PM GMT (wattos1)