NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650445 |
6wa3   |
30738 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6wa3
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 434
_Distance_constraint_stats_list.Viol_count 553
_Distance_constraint_stats_list.Viol_total 90.350
_Distance_constraint_stats_list.Viol_max 0.065
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0082
_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 7 ARG 0.002 0.002 19 0 "[ . 1 . 2]"
1 8 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TRP 0.120 0.014 18 0 "[ . 1 . 2]"
1 10 LYS 0.218 0.020 11 0 "[ . 1 . 2]"
1 11 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ALA 0.015 0.015 16 0 "[ . 1 . 2]"
1 13 ILE 0.099 0.020 11 0 "[ . 1 . 2]"
1 14 LYS 0.017 0.011 18 0 "[ . 1 . 2]"
1 15 ARG 0.030 0.015 16 0 "[ . 1 . 2]"
1 16 CYS 0.001 0.001 2 0 "[ . 1 . 2]"
1 17 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.045 0.015 9 0 "[ . 1 . 2]"
1 19 VAL 0.045 0.015 9 0 "[ . 1 . 2]"
1 20 ALA 0.019 0.005 12 0 "[ . 1 . 2]"
1 21 VAL 0.034 0.005 14 0 "[ . 1 . 2]"
1 22 GLY 0.029 0.005 14 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.021 0.005 12 0 "[ . 1 . 2]"
1 30 PHE 0.004 0.004 12 0 "[ . 1 . 2]"
1 31 GLY 0.127 0.027 19 0 "[ . 1 . 2]"
1 32 GLU 0.144 0.027 19 0 "[ . 1 . 2]"
1 33 GLY 0.247 0.051 10 0 "[ . 1 . 2]"
1 34 ASN 0.258 0.051 10 0 "[ . 1 . 2]"
1 35 PHE 0.207 0.029 14 0 "[ . 1 . 2]"
1 36 ARG 0.248 0.029 14 0 "[ . 1 . 2]"
1 37 TRP 0.132 0.013 16 0 "[ . 1 . 2]"
1 38 ALA 0.035 0.013 16 0 "[ . 1 . 2]"
1 39 ILE 0.098 0.016 6 0 "[ . 1 . 2]"
1 40 ARG 0.059 0.009 11 0 "[ . 1 . 2]"
1 41 MET 0.147 0.012 6 0 "[ . 1 . 2]"
1 42 ALA 0.008 0.005 16 0 "[ . 1 . 2]"
1 43 ASN 0.028 0.005 11 0 "[ . 1 . 2]"
1 44 VAL 0.123 0.012 6 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ARG 0.066 0.020 6 0 "[ . 1 . 2]"
1 49 GLU 0.066 0.020 6 0 "[ . 1 . 2]"
1 50 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 THR 0.153 0.041 11 0 "[ . 1 . 2]"
1 57 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ASP 0.153 0.041 11 0 "[ . 1 . 2]"
1 59 GLN 0.010 0.010 17 0 "[ . 1 . 2]"
1 60 LEU 0.095 0.026 11 0 "[ . 1 . 2]"
1 61 ARG 0.096 0.026 11 0 "[ . 1 . 2]"
1 62 LEU 0.014 0.005 11 0 "[ . 1 . 2]"
1 63 VAL 0.018 0.010 20 0 "[ . 1 . 2]"
1 64 ILE 0.065 0.022 5 0 "[ . 1 . 2]"
1 65 CYS 0.047 0.006 8 0 "[ . 1 . 2]"
1 66 ASP 0.028 0.008 2 0 "[ . 1 . 2]"
1 67 LEU 0.064 0.008 2 0 "[ . 1 . 2]"
1 68 GLN 0.008 0.002 16 0 "[ . 1 . 2]"
1 69 GLU 0.003 0.002 2 0 "[ . 1 . 2]"
1 70 ARG 0.100 0.022 18 0 "[ . 1 . 2]"
1 71 ARG 0.064 0.022 18 0 "[ . 1 . 2]"
1 72 GLU 0.015 0.015 2 0 "[ . 1 . 2]"
1 73 LYS 0.022 0.015 2 0 "[ . 1 . 2]"
1 74 PHE 0.002 0.001 9 0 "[ . 1 . 2]"
1 75 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 SER 0.203 0.051 6 0 "[ . 1 . 2]"
1 78 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ILE 0.024 0.005 13 0 "[ . 1 . 2]"
1 81 ASP 0.247 0.051 6 0 "[ . 1 . 2]"
1 82 MET 0.054 0.012 10 0 "[ . 1 . 2]"
1 83 ALA 0.143 0.017 6 0 "[ . 1 . 2]"
1 84 ILE 0.146 0.017 6 0 "[ . 1 . 2]"
1 85 VAL 0.139 0.014 17 0 "[ . 1 . 2]"
1 86 THR 0.029 0.010 5 0 "[ . 1 . 2]"
1 87 LEU 0.009 0.004 5 0 "[ . 1 . 2]"
1 88 LYS 0.074 0.014 14 0 "[ . 1 . 2]"
1 89 VAL 0.702 0.059 3 0 "[ . 1 . 2]"
1 90 PHE 0.294 0.059 3 0 "[ . 1 . 2]"
1 91 ALA 0.165 0.053 16 0 "[ . 1 . 2]"
1 92 VAL 0.474 0.053 16 0 "[ . 1 . 2]"
1 93 ALA 0.572 0.065 18 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 LEU 0.572 0.065 18 0 "[ . 1 . 2]"
1 96 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 97 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 THR 0.005 0.005 14 0 "[ . 1 . 2]"
1 100 VAL 0.005 0.005 14 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 THR 0.157 0.024 10 0 "[ . 1 . 2]"
1 103 ALA 0.190 0.057 10 0 "[ . 1 . 2]"
1 104 ALA 0.231 0.024 10 0 "[ . 1 . 2]"
1 105 ALA 0.010 0.005 13 0 "[ . 1 . 2]"
1 106 ALA 0.171 0.057 10 0 "[ . 1 . 2]"
1 107 GLU 0.077 0.019 5 0 "[ . 1 . 2]"
1 108 ASN 0.030 0.008 2 0 "[ . 1 . 2]"
1 109 MET 0.002 0.002 2 0 "[ . 1 . 2]"
1 110 TYR 0.039 0.019 5 0 "[ . 1 . 2]"
1 111 SER 0.087 0.015 3 0 "[ . 1 . 2]"
1 112 GLN 0.186 0.018 10 0 "[ . 1 . 2]"
1 113 MET 0.069 0.007 18 0 "[ . 1 . 2]"
1 114 GLY 0.038 0.013 5 0 "[ . 1 . 2]"
1 115 LEU 0.175 0.018 10 0 "[ . 1 . 2]"
1 116 ASP 0.069 0.007 18 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 7 ARG H 1 8 ASP H . . 2.800 2.769 2.709 2.798 . 0 0 "[ . 1 . 2]" 1
2 1 7 ARG H 1 9 TRP H . . 5.000 3.786 3.648 4.278 . 0 0 "[ . 1 . 2]" 1
3 1 7 ARG H 1 10 LYS H . . 5.000 4.954 4.858 5.002 0.002 19 0 "[ . 1 . 2]" 1
4 1 7 ARG HA 1 10 LYS QB . . 5.800 3.470 2.854 3.672 . 0 0 "[ . 1 . 2]" 1
5 1 7 ARG HA 1 11 MET H . . 5.000 3.906 3.709 4.113 . 0 0 "[ . 1 . 2]" 1
6 1 8 ASP H 1 9 TRP H . . 2.800 2.661 2.498 2.728 . 0 0 "[ . 1 . 2]" 1
7 1 8 ASP H 1 10 LYS H . . 5.000 4.813 4.493 4.944 . 0 0 "[ . 1 . 2]" 1
8 1 8 ASP H 1 11 MET H . . 5.000 4.768 4.650 4.867 . 0 0 "[ . 1 . 2]" 1
9 1 8 ASP HA 1 11 MET QB . . 5.800 2.411 2.171 2.638 . 0 0 "[ . 1 . 2]" 1
10 1 8 ASP HA 1 12 ALA H . . 5.000 3.684 3.259 4.170 . 0 0 "[ . 1 . 2]" 1
11 1 9 TRP H 1 10 LYS H . . 2.800 2.803 2.746 2.814 0.014 18 0 "[ . 1 . 2]" 1
12 1 9 TRP H 1 11 MET H . . 5.000 3.723 3.553 4.104 . 0 0 "[ . 1 . 2]" 1
13 1 9 TRP H 1 12 ALA H . . 5.000 4.429 4.364 4.534 . 0 0 "[ . 1 . 2]" 1
14 1 9 TRP HA 1 12 ALA MB . . 5.500 2.904 2.630 3.232 . 0 0 "[ . 1 . 2]" 1
15 1 9 TRP HA 1 13 ILE H . . 5.000 4.329 4.078 4.426 . 0 0 "[ . 1 . 2]" 1
16 1 9 TRP HD1 1 10 LYS H . . 3.300 3.173 2.891 3.306 0.006 14 0 "[ . 1 . 2]" 1
17 1 9 TRP HE3 1 90 PHE HZ . . 5.000 2.875 2.235 3.480 . 0 0 "[ . 1 . 2]" 1
18 1 9 TRP HH2 1 35 PHE QE . . 5.000 2.615 2.036 3.104 . 0 0 "[ . 1 . 2]" 1
19 1 9 TRP HZ3 1 39 ILE MD . . 5.500 4.360 3.565 4.611 . 0 0 "[ . 1 . 2]" 1
20 1 9 TRP HZ3 1 53 ILE MG . . 5.500 4.373 3.730 4.637 . 0 0 "[ . 1 . 2]" 1
21 1 9 TRP HZ3 1 90 PHE QE . . 5.000 3.691 2.956 4.306 . 0 0 "[ . 1 . 2]" 1
22 1 9 TRP HZ3 1 90 PHE HZ . . 5.000 2.856 1.998 3.786 . 0 0 "[ . 1 . 2]" 1
23 1 10 LYS H 1 11 MET H . . 2.800 2.644 2.554 2.770 . 0 0 "[ . 1 . 2]" 1
24 1 10 LYS H 1 12 ALA H . . 5.000 4.223 3.951 4.526 . 0 0 "[ . 1 . 2]" 1
25 1 10 LYS H 1 13 ILE H . . 5.000 5.005 4.997 5.020 0.020 11 0 "[ . 1 . 2]" 1
26 1 10 LYS HA 1 14 LYS H . . 5.000 3.929 3.622 4.314 . 0 0 "[ . 1 . 2]" 1
27 1 11 MET H 1 12 ALA H . . 2.800 2.570 2.400 2.654 . 0 0 "[ . 1 . 2]" 1
28 1 11 MET H 1 13 ILE H . . 5.000 4.227 3.958 4.568 . 0 0 "[ . 1 . 2]" 1
29 1 11 MET H 1 14 LYS H . . 5.000 4.768 4.497 4.996 . 0 0 "[ . 1 . 2]" 1
30 1 11 MET HA 1 14 LYS QB . . 5.800 2.693 2.177 2.992 . 0 0 "[ . 1 . 2]" 1
31 1 11 MET HA 1 15 ARG H . . 5.000 3.856 3.443 4.155 . 0 0 "[ . 1 . 2]" 1
32 1 12 ALA H 1 13 ILE H . . 2.800 2.719 2.606 2.796 . 0 0 "[ . 1 . 2]" 1
33 1 12 ALA H 1 14 LYS H . . 5.000 4.231 3.809 4.556 . 0 0 "[ . 1 . 2]" 1
34 1 12 ALA H 1 15 ARG H . . 5.000 4.736 4.587 5.015 0.015 16 0 "[ . 1 . 2]" 1
35 1 12 ALA HA 1 15 ARG QB . . 5.800 3.034 2.491 4.763 . 0 0 "[ . 1 . 2]" 1
36 1 12 ALA HA 1 94 GLY QA . . 5.000 2.893 2.345 3.469 . 0 0 "[ . 1 . 2]" 1
37 1 12 ALA MB 1 90 PHE QD . . 5.500 3.125 2.673 3.911 . 0 0 "[ . 1 . 2]" 1
38 1 12 ALA MB 1 90 PHE QE . . 5.500 2.304 1.971 2.915 . 0 0 "[ . 1 . 2]" 1
39 1 12 ALA MB 1 90 PHE HZ . . 5.500 3.088 2.825 3.511 . 0 0 "[ . 1 . 2]" 1
40 1 12 ALA MB 1 95 LEU QD . . 7.000 4.132 3.957 4.229 . 0 0 "[ . 1 . 2]" 1
41 1 13 ILE H 1 14 LYS H . . 2.800 2.682 2.430 2.802 0.002 1 0 "[ . 1 . 2]" 1
42 1 13 ILE H 1 15 ARG H . . 5.000 4.123 3.746 4.420 . 0 0 "[ . 1 . 2]" 1
43 1 13 ILE HA 1 16 CYS QB . . 5.800 2.710 1.984 4.166 . 0 0 "[ . 1 . 2]" 1
44 1 13 ILE MD 1 32 GLU HA . . 3.300 2.454 2.265 2.620 . 0 0 "[ . 1 . 2]" 1
45 1 13 ILE MD 1 90 PHE QE . . 6.500 2.510 1.978 3.610 . 0 0 "[ . 1 . 2]" 1
46 1 13 ILE MG 1 32 GLU HA . . 3.300 2.520 2.126 2.635 . 0 0 "[ . 1 . 2]" 1
47 1 14 LYS H 1 15 ARG H . . 2.800 2.752 2.633 2.811 0.011 18 0 "[ . 1 . 2]" 1
48 1 14 LYS HA 1 17 SER QB . . 5.800 3.068 2.310 4.463 . 0 0 "[ . 1 . 2]" 1
49 1 15 ARG H 1 16 CYS H . . 2.800 2.586 2.274 2.801 0.001 2 0 "[ . 1 . 2]" 1
50 1 15 ARG QD 1 97 ASN HA . . 5.000 3.827 2.599 4.443 . 0 0 "[ . 1 . 2]" 1
51 1 16 CYS H 1 17 SER H . . 2.800 2.673 2.572 2.790 . 0 0 "[ . 1 . 2]" 1
52 1 16 CYS HA 1 89 VAL QG . . 6.500 3.613 3.234 4.539 . 0 0 "[ . 1 . 2]" 1
53 1 16 CYS HA 1 93 ALA MB . . 5.500 3.464 2.643 4.495 . 0 0 "[ . 1 . 2]" 1
54 1 17 SER H 1 18 ASN H . . 2.800 2.693 2.585 2.774 . 0 0 "[ . 1 . 2]" 1
55 1 18 ASN H 1 19 VAL H . . 2.800 2.649 2.370 2.815 0.015 9 0 "[ . 1 . 2]" 1
56 1 18 ASN HA 1 29 LYS QD . . 5.800 3.295 2.025 4.565 . 0 0 "[ . 1 . 2]" 1
57 1 18 ASN HA 1 29 LYS QG . . 5.800 3.451 2.345 4.961 . 0 0 "[ . 1 . 2]" 1
58 1 19 VAL HA 1 20 ALA H . . 2.700 2.179 2.139 2.308 . 0 0 "[ . 1 . 2]" 1
59 1 19 VAL HA 1 101 SER HA . . 5.000 3.742 3.136 4.306 . 0 0 "[ . 1 . 2]" 1
60 1 19 VAL QG 1 30 PHE QD . . 8.800 2.404 1.910 3.199 . 0 0 "[ . 1 . 2]" 1
61 1 19 VAL QG 1 89 VAL QG . . 8.000 1.769 1.594 2.081 . 0 0 "[ . 1 . 2]" 1
62 1 19 VAL QG 1 93 ALA MB . . 7.000 3.097 2.681 4.069 . 0 0 "[ . 1 . 2]" 1
63 1 19 VAL QG 1 100 VAL QG . . 8.000 2.072 1.662 3.074 . 0 0 "[ . 1 . 2]" 1
64 1 19 VAL QG 1 102 THR CA . . 6.500 3.054 2.455 4.121 . 0 0 "[ . 1 . 2]" 1
65 1 19 VAL QG 1 103 ALA CB . . 6.000 3.551 3.199 3.917 . 0 0 "[ . 1 . 2]" 1
66 1 20 ALA H 1 102 THR HA . . 2.700 2.374 1.948 2.702 0.002 11 0 "[ . 1 . 2]" 1
67 1 20 ALA HA 1 21 VAL H . . 2.700 2.178 2.141 2.259 . 0 0 "[ . 1 . 2]" 1
68 1 20 ALA HA 1 29 LYS HA . . 2.700 2.396 1.987 2.705 0.005 12 0 "[ . 1 . 2]" 1
69 1 20 ALA MB 1 102 THR HA . . 3.800 2.789 2.352 3.073 . 0 0 "[ . 1 . 2]" 1
70 1 20 ALA MB 1 102 THR MG . . 3.800 2.061 1.947 2.216 . 0 0 "[ . 1 . 2]" 1
71 1 21 VAL H 1 21 VAL QG . . 3.200 2.052 1.901 2.087 . 0 0 "[ . 1 . 2]" 1
72 1 21 VAL H 1 22 GLY H . . 2.700 2.693 2.661 2.705 0.005 14 0 "[ . 1 . 2]" 1
73 1 21 VAL H 1 29 LYS HA . . 3.200 2.627 1.948 3.202 0.002 4 0 "[ . 1 . 2]" 1
74 1 21 VAL HA 1 30 PHE QR . . 5.800 3.419 2.875 4.104 . 0 0 "[ . 1 . 2]" 1
75 1 21 VAL QG 1 30 PHE QR . . 6.100 2.254 1.856 2.775 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL QG 1 103 ALA MB . . 4.300 2.507 2.418 2.593 . 0 0 "[ . 1 . 2]" 1
77 1 23 VAL HA 1 102 THR MG . . 3.200 2.213 1.975 2.505 . 0 0 "[ . 1 . 2]" 1
78 1 28 LYS HA 1 29 LYS H . . 2.700 2.271 2.140 2.647 . 0 0 "[ . 1 . 2]" 1
79 1 29 LYS HA 1 30 PHE H . . 2.700 2.353 2.215 2.552 . 0 0 "[ . 1 . 2]" 1
80 1 30 PHE HA 1 31 GLY H . . 2.700 2.513 2.179 2.704 0.004 12 0 "[ . 1 . 2]" 1
81 1 30 PHE QD 1 35 PHE QD . . 6.900 5.136 4.603 5.384 . 0 0 "[ . 1 . 2]" 1
82 1 30 PHE QD 1 86 THR MG . . 6.100 3.484 2.892 4.210 . 0 0 "[ . 1 . 2]" 1
83 1 30 PHE QD 1 103 ALA MB . . 7.800 3.421 2.621 4.000 . 0 0 "[ . 1 . 2]" 1
84 1 30 PHE QE 1 103 ALA MB . . 5.600 2.496 1.912 3.053 . 0 0 "[ . 1 . 2]" 1
85 1 31 GLY HA2 1 32 GLU H . . 2.700 2.548 2.432 2.727 0.027 19 0 "[ . 1 . 2]" 1
86 1 31 GLY HA3 1 32 GLU H . . 2.700 2.588 2.411 2.705 0.005 12 0 "[ . 1 . 2]" 1
87 1 32 GLU H 1 33 GLY H . . 2.800 2.735 2.493 2.810 0.010 14 0 "[ . 1 . 2]" 1
88 1 32 GLU H 1 34 ASN H . . 5.000 4.462 3.731 4.829 . 0 0 "[ . 1 . 2]" 1
89 1 32 GLU H 1 35 PHE H . . 5.000 4.852 4.654 4.977 . 0 0 "[ . 1 . 2]" 1
90 1 32 GLU HA 1 35 PHE QB . . 5.800 2.721 2.438 3.096 . 0 0 "[ . 1 . 2]" 1
91 1 32 GLU HA 1 36 ARG H . . 5.000 4.183 3.820 4.378 . 0 0 "[ . 1 . 2]" 1
92 1 33 GLY H 1 34 ASN H . . 2.800 2.801 2.667 2.851 0.051 10 0 "[ . 1 . 2]" 1
93 1 34 ASN H 1 35 PHE H . . 2.800 2.763 2.642 2.806 0.006 5 0 "[ . 1 . 2]" 1
94 1 34 ASN H 1 36 ARG H . . 5.000 4.284 4.062 4.617 . 0 0 "[ . 1 . 2]" 1
95 1 34 ASN H 1 37 TRP H . . 5.000 4.823 4.661 4.981 . 0 0 "[ . 1 . 2]" 1
96 1 34 ASN HA 1 37 TRP QB . . 5.800 2.589 2.473 2.744 . 0 0 "[ . 1 . 2]" 1
97 1 34 ASN HA 1 38 ALA H . . 5.000 4.412 4.230 4.503 . 0 0 "[ . 1 . 2]" 1
98 1 34 ASN QB 1 86 THR MG . . 5.000 3.563 3.378 3.724 . 0 0 "[ . 1 . 2]" 1
99 1 35 PHE H 1 36 ARG H . . 2.800 2.808 2.793 2.829 0.029 14 0 "[ . 1 . 2]" 1
100 1 35 PHE H 1 37 TRP H . . 5.000 4.243 4.068 4.436 . 0 0 "[ . 1 . 2]" 1
101 1 35 PHE H 1 38 ALA H . . 5.000 4.915 4.756 5.010 0.010 12 0 "[ . 1 . 2]" 1
102 1 35 PHE H 1 86 THR MG . . 5.500 3.952 3.812 4.104 . 0 0 "[ . 1 . 2]" 1
103 1 35 PHE HA 1 38 ALA MB . . 5.500 2.855 2.705 3.122 . 0 0 "[ . 1 . 2]" 1
104 1 35 PHE HA 1 39 ILE H . . 5.000 4.279 4.046 4.483 . 0 0 "[ . 1 . 2]" 1
105 1 35 PHE HA 1 86 THR MG . . 3.800 2.052 1.930 2.186 . 0 0 "[ . 1 . 2]" 1
106 1 35 PHE QD 1 90 PHE QD . . 5.000 3.829 3.615 4.009 . 0 0 "[ . 1 . 2]" 1
107 1 35 PHE QD 1 90 PHE QE . . 5.000 3.953 3.684 4.238 . 0 0 "[ . 1 . 2]" 1
108 1 35 PHE HZ 1 90 PHE QD . . 5.000 3.272 3.103 3.496 . 0 0 "[ . 1 . 2]" 1
109 1 36 ARG H 1 37 TRP H . . 2.800 2.679 2.609 2.759 . 0 0 "[ . 1 . 2]" 1
110 1 36 ARG H 1 38 ALA H . . 5.000 4.106 4.015 4.324 . 0 0 "[ . 1 . 2]" 1
111 1 36 ARG H 1 39 ILE H . . 5.000 4.974 4.780 5.016 0.016 6 0 "[ . 1 . 2]" 1
112 1 37 TRP H 1 38 ALA H . . 2.800 2.709 2.645 2.813 0.013 16 0 "[ . 1 . 2]" 1
113 1 37 TRP H 1 39 ILE H . . 5.000 4.561 4.151 4.781 . 0 0 "[ . 1 . 2]" 1
114 1 37 TRP H 1 40 ARG H . . 5.000 4.746 4.672 4.935 . 0 0 "[ . 1 . 2]" 1
115 1 37 TRP HA 1 40 ARG QB . . 5.800 2.673 2.521 3.251 . 0 0 "[ . 1 . 2]" 1
116 1 37 TRP HA 1 41 MET H . . 5.000 3.872 3.661 4.201 . 0 0 "[ . 1 . 2]" 1
117 1 37 TRP HE3 1 38 ALA H . . 3.300 2.677 2.451 2.783 . 0 0 "[ . 1 . 2]" 1
118 1 37 TRP HH2 1 79 GLU HA . . 5.000 2.501 1.999 2.856 . 0 0 "[ . 1 . 2]" 1
119 1 37 TRP HH2 1 82 MET QB . . 5.000 2.717 2.298 3.124 . 0 0 "[ . 1 . 2]" 1
120 1 37 TRP HH2 1 83 ALA H . . 3.300 3.305 3.300 3.312 0.012 14 0 "[ . 1 . 2]" 1
121 1 37 TRP HZ3 1 38 ALA H . . 5.000 4.810 4.607 4.917 . 0 0 "[ . 1 . 2]" 1
122 1 37 TRP HZ3 1 83 ALA H . . 3.300 2.816 2.671 3.128 . 0 0 "[ . 1 . 2]" 1
123 1 37 TRP HZ3 1 83 ALA HA . . 3.300 2.709 2.507 2.968 . 0 0 "[ . 1 . 2]" 1
124 1 38 ALA H 1 39 ILE H . . 2.800 2.713 2.575 2.798 . 0 0 "[ . 1 . 2]" 1
125 1 38 ALA H 1 40 ARG H . . 5.000 3.930 3.791 4.454 . 0 0 "[ . 1 . 2]" 1
126 1 38 ALA H 1 41 MET H . . 5.000 4.733 4.649 4.871 . 0 0 "[ . 1 . 2]" 1
127 1 38 ALA HA 1 41 MET QB . . 5.800 3.164 2.715 3.462 . 0 0 "[ . 1 . 2]" 1
128 1 38 ALA HA 1 42 ALA H . . 5.000 3.807 3.595 4.127 . 0 0 "[ . 1 . 2]" 1
129 1 38 ALA HA 1 83 ALA HA . . 5.000 2.805 2.684 3.015 . 0 0 "[ . 1 . 2]" 1
130 1 38 ALA HA 1 83 ALA MB . . 5.500 2.332 1.936 2.771 . 0 0 "[ . 1 . 2]" 1
131 1 38 ALA MB 1 83 ALA HA . . 5.500 1.986 1.898 2.177 . 0 0 "[ . 1 . 2]" 1
132 1 38 ALA MB 1 86 THR HA . . 5.500 4.275 4.202 4.455 . 0 0 "[ . 1 . 2]" 1
133 1 38 ALA MB 1 86 THR MG . . 4.300 1.988 1.834 2.196 . 0 0 "[ . 1 . 2]" 1
134 1 38 ALA MB 1 87 LEU H . . 5.500 3.408 3.261 3.694 . 0 0 "[ . 1 . 2]" 1
135 1 39 ILE H 1 40 ARG H . . 2.800 2.723 2.636 2.808 0.008 16 0 "[ . 1 . 2]" 1
136 1 39 ILE H 1 41 MET H . . 5.000 4.479 4.124 4.625 . 0 0 "[ . 1 . 2]" 1
137 1 39 ILE H 1 42 ALA H . . 5.000 4.745 4.510 4.850 . 0 0 "[ . 1 . 2]" 1
138 1 39 ILE H 1 87 LEU QD . . 5.500 3.481 2.623 4.092 . 0 0 "[ . 1 . 2]" 1
139 1 39 ILE HA 1 42 ALA MB . . 5.500 2.510 2.230 3.009 . 0 0 "[ . 1 . 2]" 1
140 1 39 ILE HA 1 43 ASN H . . 5.000 3.891 3.630 4.151 . 0 0 "[ . 1 . 2]" 1
141 1 39 ILE HA 1 87 LEU QD . . 5.500 2.361 1.921 2.731 . 0 0 "[ . 1 . 2]" 1
142 1 40 ARG H 1 41 MET H . . 2.800 2.800 2.777 2.809 0.009 11 0 "[ . 1 . 2]" 1
143 1 40 ARG H 1 42 ALA H . . 5.000 4.171 3.971 4.534 . 0 0 "[ . 1 . 2]" 1
144 1 40 ARG H 1 43 ASN H . . 5.000 4.640 4.522 4.851 . 0 0 "[ . 1 . 2]" 1
145 1 40 ARG HA 1 43 ASN QB . . 5.800 2.823 2.533 3.104 . 0 0 "[ . 1 . 2]" 1
146 1 40 ARG HA 1 44 VAL H . . 5.000 4.241 3.959 4.358 . 0 0 "[ . 1 . 2]" 1
147 1 41 MET H 1 42 ALA H . . 2.800 2.702 2.500 2.805 0.005 16 0 "[ . 1 . 2]" 1
148 1 41 MET H 1 43 ASN H . . 5.000 4.046 3.802 4.386 . 0 0 "[ . 1 . 2]" 1
149 1 41 MET H 1 44 VAL H . . 5.000 5.005 4.999 5.012 0.012 6 0 "[ . 1 . 2]" 1
150 1 41 MET HA 1 45 SER H . . 5.000 3.874 3.665 4.151 . 0 0 "[ . 1 . 2]" 1
151 1 42 ALA H 1 43 ASN H . . 2.800 2.712 2.630 2.777 . 0 0 "[ . 1 . 2]" 1
152 1 42 ALA H 1 44 VAL H . . 5.000 4.622 4.231 4.910 . 0 0 "[ . 1 . 2]" 1
153 1 42 ALA H 1 45 SER H . . 5.000 4.745 4.600 4.867 . 0 0 "[ . 1 . 2]" 1
154 1 42 ALA HA 1 45 SER QB . . 5.800 2.540 2.364 2.884 . 0 0 "[ . 1 . 2]" 1
155 1 42 ALA HA 1 46 THR H . . 5.000 4.394 4.273 4.675 . 0 0 "[ . 1 . 2]" 1
156 1 43 ASN H 1 44 VAL H . . 2.800 2.785 2.714 2.805 0.005 11 0 "[ . 1 . 2]" 1
157 1 43 ASN H 1 45 SER H . . 5.000 3.932 3.777 4.153 . 0 0 "[ . 1 . 2]" 1
158 1 43 ASN H 1 46 THR H . . 5.000 4.741 4.632 4.972 . 0 0 "[ . 1 . 2]" 1
159 1 43 ASN HA 1 48 ARG QB . . 5.800 3.030 2.504 3.336 . 0 0 "[ . 1 . 2]" 1
160 1 44 VAL H 1 45 SER H . . 2.800 2.704 2.654 2.800 . 0 0 "[ . 1 . 2]" 1
161 1 44 VAL H 1 46 THR H . . 5.000 4.049 3.964 4.107 . 0 0 "[ . 1 . 2]" 1
162 1 45 SER H 1 46 THR H . . 2.800 2.617 2.558 2.712 . 0 0 "[ . 1 . 2]" 1
163 1 46 THR H 1 47 GLY H . . 3.300 2.547 2.094 2.799 . 0 0 "[ . 1 . 2]" 1
164 1 46 THR HA 1 66 ASP QB . . 5.000 4.397 4.085 4.521 . 0 0 "[ . 1 . 2]" 1
165 1 46 THR MG 1 63 VAL QG . . 7.000 2.855 1.916 3.715 . 0 0 "[ . 1 . 2]" 1
166 1 46 THR MG 1 66 ASP QB . . 6.300 2.242 1.778 2.565 . 0 0 "[ . 1 . 2]" 1
167 1 46 THR MG 1 67 LEU HA . . 3.800 3.038 2.613 3.210 . 0 0 "[ . 1 . 2]" 1
168 1 47 GLY H 1 48 ARG H . . 3.300 2.702 2.407 2.827 . 0 0 "[ . 1 . 2]" 1
169 1 48 ARG HA 1 49 GLU H . . 2.700 2.368 2.148 2.720 0.020 6 0 "[ . 1 . 2]" 1
170 1 48 ARG QD 1 63 VAL QG . . 6.300 3.567 2.993 4.079 . 0 0 "[ . 1 . 2]" 1
171 1 49 GLU HA 1 50 PRO HD2 . . 2.700 2.494 2.399 2.510 . 0 0 "[ . 1 . 2]" 1
172 1 50 PRO QB 1 51 GLY H . . 4.100 3.213 2.855 3.514 . 0 0 "[ . 1 . 2]" 1
173 1 50 PRO QD 1 51 GLY H . . 4.100 2.669 2.606 2.715 . 0 0 "[ . 1 . 2]" 1
174 1 51 GLY H 1 52 ASP H . . 5.000 3.506 3.348 3.919 . 0 0 "[ . 1 . 2]" 1
175 1 52 ASP H 1 53 ILE H . . 5.000 3.949 3.596 4.255 . 0 0 "[ . 1 . 2]" 1
176 1 53 ILE HA 1 54 PRO HD2 . . 5.000 2.073 2.047 2.148 . 0 0 "[ . 1 . 2]" 1
177 1 53 ILE HA 1 54 PRO HD3 . . 5.000 2.908 2.868 3.011 . 0 0 "[ . 1 . 2]" 1
178 1 54 PRO QB 1 60 LEU H . . 5.800 4.393 3.479 4.932 . 0 0 "[ . 1 . 2]" 1
179 1 55 GLU H 1 56 THR H . . 5.000 2.637 1.897 3.400 . 0 0 "[ . 1 . 2]" 1
180 1 55 GLU H 1 59 GLN QB . . 5.800 3.780 2.952 4.567 . 0 0 "[ . 1 . 2]" 1
181 1 55 GLU QB 1 59 GLN NE2 . . 5.800 5.013 4.685 5.228 . 0 0 "[ . 1 . 2]" 1
182 1 56 THR H 1 58 ASP H . . 5.000 5.000 4.859 5.041 0.041 11 0 "[ . 1 . 2]" 1
183 1 56 THR H 1 59 GLN H . . 5.000 3.951 3.796 4.119 . 0 0 "[ . 1 . 2]" 1
184 1 56 THR H 1 59 GLN QB . . 5.000 2.695 2.367 2.870 . 0 0 "[ . 1 . 2]" 1
185 1 56 THR H 1 60 LEU H . . 5.000 3.996 3.427 4.249 . 0 0 "[ . 1 . 2]" 1
186 1 56 THR MG 1 59 GLN NE2 . . 5.500 2.831 2.396 4.390 . 0 0 "[ . 1 . 2]" 1
187 1 57 LEU HA 1 60 LEU QB . . 5.800 2.755 2.637 2.916 . 0 0 "[ . 1 . 2]" 1
188 1 57 LEU HA 1 61 ARG H . . 5.000 4.047 3.822 4.266 . 0 0 "[ . 1 . 2]" 1
189 1 57 LEU QD 1 91 ALA HA . . 6.500 4.005 3.123 4.723 . 0 0 "[ . 1 . 2]" 1
190 1 57 LEU QD 1 91 ALA MB . . 7.000 2.779 1.922 3.559 . 0 0 "[ . 1 . 2]" 1
191 1 57 LEU QD 1 115 LEU MD2 . . 8.000 2.817 1.824 3.979 . 0 0 "[ . 1 . 2]" 1
192 1 58 ASP H 1 59 GLN H . . 2.800 2.602 2.527 2.686 . 0 0 "[ . 1 . 2]" 1
193 1 58 ASP H 1 60 LEU H . . 5.000 4.160 3.974 4.449 . 0 0 "[ . 1 . 2]" 1
194 1 58 ASP H 1 61 ARG H . . 5.000 4.852 4.675 4.985 . 0 0 "[ . 1 . 2]" 1
195 1 58 ASP HA 1 61 ARG QB . . 5.800 2.891 2.670 3.867 . 0 0 "[ . 1 . 2]" 1
196 1 58 ASP HA 1 62 LEU H . . 5.000 4.235 4.042 4.416 . 0 0 "[ . 1 . 2]" 1
197 1 59 GLN H 1 60 LEU H . . 2.800 2.694 2.631 2.810 0.010 17 0 "[ . 1 . 2]" 1
198 1 59 GLN H 1 61 ARG H . . 5.000 4.317 3.985 4.561 . 0 0 "[ . 1 . 2]" 1
199 1 59 GLN H 1 62 LEU H . . 5.000 4.771 4.628 4.959 . 0 0 "[ . 1 . 2]" 1
200 1 59 GLN HA 1 62 LEU QB . . 5.800 2.660 2.336 2.961 . 0 0 "[ . 1 . 2]" 1
201 1 59 GLN HA 1 63 VAL H . . 5.000 4.061 3.913 4.366 . 0 0 "[ . 1 . 2]" 1
202 1 60 LEU H 1 61 ARG H . . 2.800 2.772 2.670 2.826 0.026 11 0 "[ . 1 . 2]" 1
203 1 60 LEU H 1 62 LEU H . . 5.000 4.036 3.743 4.417 . 0 0 "[ . 1 . 2]" 1
204 1 60 LEU H 1 63 VAL H . . 5.000 4.796 4.713 4.974 . 0 0 "[ . 1 . 2]" 1
205 1 60 LEU H 1 91 ALA MB . . 5.500 4.480 4.431 4.505 . 0 0 "[ . 1 . 2]" 1
206 1 60 LEU HA 1 63 VAL HB . . 5.000 3.276 2.733 5.010 0.010 20 0 "[ . 1 . 2]" 1
207 1 60 LEU HA 1 64 ILE H . . 5.000 4.301 4.181 4.449 . 0 0 "[ . 1 . 2]" 1
208 1 60 LEU QD 1 90 PHE QD . . 6.500 2.271 1.868 2.722 . 0 0 "[ . 1 . 2]" 1
209 1 60 LEU QD 1 91 ALA H . . 6.500 3.229 2.762 3.841 . 0 0 "[ . 1 . 2]" 1
210 1 60 LEU QD 1 91 ALA HA . . 6.500 2.722 1.853 3.563 . 0 0 "[ . 1 . 2]" 1
211 1 60 LEU QD 1 91 ALA MB . . 7.000 2.076 1.709 2.777 . 0 0 "[ . 1 . 2]" 1
212 1 61 ARG H 1 62 LEU H . . 2.800 2.706 2.648 2.791 . 0 0 "[ . 1 . 2]" 1
213 1 61 ARG H 1 63 VAL H . . 5.000 4.429 4.120 4.831 . 0 0 "[ . 1 . 2]" 1
214 1 61 ARG H 1 64 ILE H . . 5.000 4.957 4.887 5.022 0.022 5 0 "[ . 1 . 2]" 1
215 1 61 ARG HA 1 65 CYS H . . 5.000 4.258 3.914 4.448 . 0 0 "[ . 1 . 2]" 1
216 1 62 LEU H 1 63 VAL H . . 2.800 2.666 2.620 2.751 . 0 0 "[ . 1 . 2]" 1
217 1 62 LEU H 1 64 ILE H . . 5.000 4.017 3.697 4.334 . 0 0 "[ . 1 . 2]" 1
218 1 62 LEU H 1 65 CYS H . . 5.000 4.931 4.640 5.005 0.005 11 0 "[ . 1 . 2]" 1
219 1 62 LEU HA 1 65 CYS QB . . 5.800 2.920 2.714 3.161 . 0 0 "[ . 1 . 2]" 1
220 1 62 LEU HA 1 66 ASP H . . 5.000 4.270 3.903 4.446 . 0 0 "[ . 1 . 2]" 1
221 1 63 VAL H 1 64 ILE H . . 2.800 2.772 2.700 2.804 0.004 11 0 "[ . 1 . 2]" 1
222 1 63 VAL H 1 65 CYS H . . 5.000 4.608 4.420 4.784 . 0 0 "[ . 1 . 2]" 1
223 1 63 VAL H 1 66 ASP H . . 5.000 4.878 4.761 4.961 . 0 0 "[ . 1 . 2]" 1
224 1 63 VAL HA 1 66 ASP H . . 5.000 3.670 3.567 3.810 . 0 0 "[ . 1 . 2]" 1
225 1 63 VAL HA 1 66 ASP QB . . 5.800 2.815 2.583 3.020 . 0 0 "[ . 1 . 2]" 1
226 1 63 VAL HA 1 67 LEU H . . 5.000 4.019 3.479 4.409 . 0 0 "[ . 1 . 2]" 1
227 1 64 ILE H 1 65 CYS H . . 2.800 2.782 2.661 2.806 0.006 8 0 "[ . 1 . 2]" 1
228 1 64 ILE H 1 66 ASP H . . 5.000 3.900 3.679 4.102 . 0 0 "[ . 1 . 2]" 1
229 1 64 ILE H 1 67 LEU H . . 5.000 4.875 4.695 5.002 0.002 9 0 "[ . 1 . 2]" 1
230 1 64 ILE H 1 87 LEU MD1 . . 5.500 4.144 3.488 4.434 . 0 0 "[ . 1 . 2]" 1
231 1 64 ILE HA 1 68 GLN H . . 5.000 3.831 3.602 4.299 . 0 0 "[ . 1 . 2]" 1
232 1 64 ILE HA 1 87 LEU MD1 . . 5.500 3.673 2.767 4.454 . 0 0 "[ . 1 . 2]" 1
233 1 64 ILE MD 1 88 LYS H . . 5.500 3.327 2.794 4.010 . 0 0 "[ . 1 . 2]" 1
234 1 64 ILE MD 1 88 LYS HA . . 5.500 2.673 1.987 3.934 . 0 0 "[ . 1 . 2]" 1
235 1 65 CYS H 1 66 ASP H . . 2.800 2.747 2.687 2.801 0.001 14 0 "[ . 1 . 2]" 1
236 1 65 CYS H 1 67 LEU H . . 5.000 4.736 4.330 4.931 . 0 0 "[ . 1 . 2]" 1
237 1 65 CYS H 1 68 GLN H . . 5.000 4.831 4.697 5.000 0.000 20 0 "[ . 1 . 2]" 1
238 1 65 CYS HA 1 68 GLN H . . 5.000 3.832 3.532 4.020 . 0 0 "[ . 1 . 2]" 1
239 1 65 CYS HA 1 68 GLN QB . . 5.800 2.720 2.537 2.889 . 0 0 "[ . 1 . 2]" 1
240 1 65 CYS HA 1 69 GLU H . . 5.000 3.863 3.500 4.219 . 0 0 "[ . 1 . 2]" 1
241 1 66 ASP H 1 67 LEU H . . 2.800 2.766 2.679 2.808 0.008 2 0 "[ . 1 . 2]" 1
242 1 66 ASP H 1 68 GLN H . . 5.000 3.903 3.571 4.196 . 0 0 "[ . 1 . 2]" 1
243 1 66 ASP H 1 69 GLU H . . 5.000 4.530 4.357 4.782 . 0 0 "[ . 1 . 2]" 1
244 1 66 ASP HA 1 69 GLU QB . . 5.800 2.753 2.432 3.201 . 0 0 "[ . 1 . 2]" 1
245 1 66 ASP HA 1 70 ARG H . . 5.000 4.314 3.817 4.415 . 0 0 "[ . 1 . 2]" 1
246 1 67 LEU H 1 68 GLN H . . 2.800 2.762 2.650 2.802 0.002 16 0 "[ . 1 . 2]" 1
247 1 67 LEU H 1 69 GLU H . . 5.000 4.288 3.980 4.655 . 0 0 "[ . 1 . 2]" 1
248 1 67 LEU H 1 70 ARG H . . 5.000 4.972 4.775 5.007 0.007 13 0 "[ . 1 . 2]" 1
249 1 67 LEU HA 1 70 ARG QB . . 5.800 2.995 2.503 3.329 . 0 0 "[ . 1 . 2]" 1
250 1 67 LEU HA 1 71 ARG H . . 5.000 4.017 3.531 4.358 . 0 0 "[ . 1 . 2]" 1
251 1 68 GLN H 1 69 GLU H . . 2.800 2.663 2.566 2.802 0.002 2 0 "[ . 1 . 2]" 1
252 1 68 GLN H 1 70 ARG H . . 5.000 4.223 3.816 4.528 . 0 0 "[ . 1 . 2]" 1
253 1 68 GLN H 1 71 ARG H . . 5.000 4.846 4.612 5.001 0.001 13 0 "[ . 1 . 2]" 1
254 1 68 GLN HA 1 71 ARG QB . . 5.800 2.719 2.417 3.393 . 0 0 "[ . 1 . 2]" 1
255 1 68 GLN HA 1 72 GLU H . . 5.500 3.966 3.794 4.178 . 0 0 "[ . 1 . 2]" 1
256 1 68 GLN HA 1 84 ILE MD . . 3.800 2.478 2.010 3.005 . 0 0 "[ . 1 . 2]" 1
257 1 69 GLU H 1 70 ARG H . . 2.800 2.769 2.686 2.801 0.001 11 0 "[ . 1 . 2]" 1
258 1 69 GLU H 1 71 ARG H . . 5.000 4.428 4.000 4.875 . 0 0 "[ . 1 . 2]" 1
259 1 69 GLU H 1 72 GLU H . . 5.000 4.705 4.574 4.951 . 0 0 "[ . 1 . 2]" 1
260 1 69 GLU HA 1 72 GLU QB . . 5.800 2.699 2.240 3.170 . 0 0 "[ . 1 . 2]" 1
261 1 69 GLU HA 1 73 LYS H . . 5.000 4.180 3.638 4.350 . 0 0 "[ . 1 . 2]" 1
262 1 70 ARG H 1 71 ARG H . . 2.800 2.729 2.599 2.822 0.022 18 0 "[ . 1 . 2]" 1
263 1 70 ARG H 1 72 GLU H . . 5.000 3.870 3.555 4.455 . 0 0 "[ . 1 . 2]" 1
264 1 70 ARG H 1 73 LYS H . . 5.000 4.917 4.746 5.005 0.005 6 0 "[ . 1 . 2]" 1
265 1 70 ARG HA 1 73 LYS QB . . 5.800 3.090 2.540 3.792 . 0 0 "[ . 1 . 2]" 1
266 1 70 ARG HA 1 74 PHE H . . 5.000 4.358 4.197 4.464 . 0 0 "[ . 1 . 2]" 1
267 1 70 ARG QB 1 80 ILE MD . . 6.300 4.243 3.638 4.580 . 0 0 "[ . 1 . 2]" 1
268 1 71 ARG H 1 72 GLU H . . 2.800 2.702 2.610 2.798 . 0 0 "[ . 1 . 2]" 1
269 1 71 ARG H 1 73 LYS H . . 5.000 4.649 4.277 4.872 . 0 0 "[ . 1 . 2]" 1
270 1 71 ARG H 1 80 ILE MD . . 5.500 4.168 3.771 4.456 . 0 0 "[ . 1 . 2]" 1
271 1 71 ARG HA 1 80 ILE MD . . 5.500 3.402 2.126 4.485 . 0 0 "[ . 1 . 2]" 1
272 1 71 ARG HA 1 80 ILE MG . . 5.500 3.934 3.171 4.454 . 0 0 "[ . 1 . 2]" 1
273 1 71 ARG QB 1 80 ILE MD . . 6.300 2.628 1.975 3.600 . 0 0 "[ . 1 . 2]" 1
274 1 71 ARG QB 1 80 ILE MG . . 5.800 2.088 1.836 3.005 . 0 0 "[ . 1 . 2]" 1
275 1 71 ARG QG 1 80 ILE MD . . 6.300 2.622 1.888 4.016 . 0 0 "[ . 1 . 2]" 1
276 1 72 GLU H 1 73 LYS H . . 2.800 2.736 2.649 2.815 0.015 2 0 "[ . 1 . 2]" 1
277 1 72 GLU H 1 74 PHE H . . 5.000 3.879 3.616 4.114 . 0 0 "[ . 1 . 2]" 1
278 1 73 LYS H 1 74 PHE H . . 2.800 2.746 2.627 2.801 0.001 9 0 "[ . 1 . 2]" 1
279 1 73 LYS H 1 75 GLY H . . 5.000 3.993 3.935 4.061 . 0 0 "[ . 1 . 2]" 1
280 1 77 SER H 1 81 ASP H . . 5.000 3.993 3.680 4.336 . 0 0 "[ . 1 . 2]" 1
281 1 77 SER HA 1 81 ASP H . . 5.000 5.005 4.947 5.051 0.051 6 0 "[ . 1 . 2]" 1
282 1 78 LYS HA 1 81 ASP QB . . 5.800 2.612 2.261 3.077 . 0 0 "[ . 1 . 2]" 1
283 1 78 LYS HA 1 82 MET H . . 5.000 4.073 3.694 4.292 . 0 0 "[ . 1 . 2]" 1
284 1 79 GLU H 1 81 ASP H . . 5.000 4.293 3.853 4.665 . 0 0 "[ . 1 . 2]" 1
285 1 79 GLU HA 1 82 MET H . . 5.000 3.729 3.522 3.949 . 0 0 "[ . 1 . 2]" 1
286 1 79 GLU HA 1 82 MET QB . . 5.800 2.906 2.687 3.227 . 0 0 "[ . 1 . 2]" 1
287 1 79 GLU HA 1 83 ALA H . . 5.000 4.330 3.936 4.509 . 0 0 "[ . 1 . 2]" 1
288 1 80 ILE H 1 81 ASP H . . 2.800 2.769 2.628 2.805 0.005 13 0 "[ . 1 . 2]" 1
289 1 80 ILE H 1 82 MET H . . 5.000 4.122 3.880 4.497 . 0 0 "[ . 1 . 2]" 1
290 1 80 ILE H 1 83 ALA H . . 5.000 4.919 4.736 5.001 0.001 4 0 "[ . 1 . 2]" 1
291 1 80 ILE HA 1 83 ALA H . . 5.000 3.521 3.372 3.637 . 0 0 "[ . 1 . 2]" 1
292 1 80 ILE HA 1 83 ALA MB . . 5.500 2.791 2.444 3.084 . 0 0 "[ . 1 . 2]" 1
293 1 80 ILE HA 1 84 ILE H . . 5.000 4.285 3.864 4.438 . 0 0 "[ . 1 . 2]" 1
294 1 81 ASP H 1 82 MET H . . 2.800 2.778 2.699 2.812 0.012 10 0 "[ . 1 . 2]" 1
295 1 81 ASP H 1 83 ALA H . . 5.000 4.519 4.148 4.733 . 0 0 "[ . 1 . 2]" 1
296 1 81 ASP H 1 84 ILE H . . 5.000 4.923 4.847 4.973 . 0 0 "[ . 1 . 2]" 1
297 1 81 ASP HA 1 85 VAL H . . 5.000 4.258 4.065 4.406 . 0 0 "[ . 1 . 2]" 1
298 1 82 MET H 1 83 ALA H . . 2.800 2.743 2.625 2.803 0.003 17 0 "[ . 1 . 2]" 1
299 1 82 MET H 1 84 ILE H . . 5.000 4.024 3.854 4.291 . 0 0 "[ . 1 . 2]" 1
300 1 82 MET H 1 85 VAL H . . 5.000 4.949 4.820 5.005 0.005 1 0 "[ . 1 . 2]" 1
301 1 82 MET HA 1 85 VAL HB . . 5.000 3.732 2.943 5.006 0.006 15 0 "[ . 1 . 2]" 1
302 1 82 MET HA 1 86 THR H . . 5.000 4.194 3.829 4.462 . 0 0 "[ . 1 . 2]" 1
303 1 83 ALA H 1 84 ILE H . . 2.800 2.786 2.682 2.817 0.017 6 0 "[ . 1 . 2]" 1
304 1 83 ALA H 1 85 VAL H . . 5.000 4.645 4.416 4.800 . 0 0 "[ . 1 . 2]" 1
305 1 83 ALA H 1 86 THR H . . 5.000 4.827 4.681 4.952 . 0 0 "[ . 1 . 2]" 1
306 1 83 ALA HA 1 87 LEU H . . 5.000 4.224 4.084 4.399 . 0 0 "[ . 1 . 2]" 1
307 1 84 ILE H 1 85 VAL H . . 2.800 2.802 2.775 2.814 0.014 17 0 "[ . 1 . 2]" 1
308 1 84 ILE H 1 86 THR H . . 5.000 3.887 3.683 4.317 . 0 0 "[ . 1 . 2]" 1
309 1 84 ILE H 1 87 LEU H . . 5.000 4.889 4.762 5.004 0.004 5 0 "[ . 1 . 2]" 1
310 1 84 ILE HA 1 88 LYS H . . 5.000 4.435 4.234 4.494 . 0 0 "[ . 1 . 2]" 1
311 1 85 VAL H 1 86 THR H . . 2.800 2.709 2.668 2.781 . 0 0 "[ . 1 . 2]" 1
312 1 85 VAL H 1 87 LEU H . . 5.000 4.542 3.990 4.742 . 0 0 "[ . 1 . 2]" 1
313 1 85 VAL H 1 88 LYS H . . 5.000 4.881 4.804 4.947 . 0 0 "[ . 1 . 2]" 1
314 1 85 VAL HA 1 88 LYS QB . . 5.800 2.479 2.196 3.065 . 0 0 "[ . 1 . 2]" 1
315 1 85 VAL HA 1 89 VAL H . . 5.000 3.923 3.661 4.155 . 0 0 "[ . 1 . 2]" 1
316 1 85 VAL QG 1 103 ALA MB . . 5.500 1.972 1.734 2.576 . 0 0 "[ . 1 . 2]" 1
317 1 85 VAL QG 1 104 ALA H . . 5.500 3.771 3.445 4.119 . 0 0 "[ . 1 . 2]" 1
318 1 86 THR H 1 87 LEU H . . 2.800 2.725 2.587 2.804 0.004 12 0 "[ . 1 . 2]" 1
319 1 86 THR H 1 88 LYS H . . 5.000 3.887 3.593 4.565 . 0 0 "[ . 1 . 2]" 1
320 1 86 THR H 1 89 VAL H . . 5.000 4.909 4.783 5.010 0.010 5 0 "[ . 1 . 2]" 1
321 1 86 THR HA 1 89 VAL HB . . 5.000 4.134 2.877 5.002 0.002 17 0 "[ . 1 . 2]" 1
322 1 86 THR HA 1 90 PHE H . . 5.000 4.151 3.898 4.311 . 0 0 "[ . 1 . 2]" 1
323 1 87 LEU H 1 88 LYS H . . 2.800 2.612 2.513 2.714 . 0 0 "[ . 1 . 2]" 1
324 1 87 LEU H 1 89 VAL H . . 5.000 4.622 4.005 4.901 . 0 0 "[ . 1 . 2]" 1
325 1 87 LEU H 1 90 PHE H . . 5.000 4.923 4.827 5.000 . 0 0 "[ . 1 . 2]" 1
326 1 87 LEU HA 1 90 PHE QB . . 5.800 2.671 2.339 3.052 . 0 0 "[ . 1 . 2]" 1
327 1 87 LEU HA 1 91 ALA H . . 5.000 3.982 3.836 4.148 . 0 0 "[ . 1 . 2]" 1
328 1 88 LYS H 1 89 VAL H . . 2.800 2.771 2.709 2.814 0.014 14 0 "[ . 1 . 2]" 1
329 1 88 LYS H 1 90 PHE H . . 5.000 3.990 3.743 4.558 . 0 0 "[ . 1 . 2]" 1
330 1 88 LYS H 1 91 ALA H . . 5.000 4.510 4.365 4.658 . 0 0 "[ . 1 . 2]" 1
331 1 88 LYS HA 1 91 ALA MB . . 5.500 2.624 2.304 3.029 . 0 0 "[ . 1 . 2]" 1
332 1 88 LYS HA 1 92 VAL H . . 5.000 4.081 3.713 4.385 . 0 0 "[ . 1 . 2]" 1
333 1 89 VAL H 1 90 PHE H . . 2.800 2.793 2.676 2.859 0.059 3 0 "[ . 1 . 2]" 1
334 1 89 VAL H 1 91 ALA H . . 5.000 4.142 3.863 4.320 . 0 0 "[ . 1 . 2]" 1
335 1 89 VAL H 1 92 VAL H . . 5.000 4.954 4.669 5.047 0.047 9 0 "[ . 1 . 2]" 1
336 1 89 VAL H 1 106 ALA MB . . 3.800 3.057 2.966 3.118 . 0 0 "[ . 1 . 2]" 1
337 1 89 VAL HA 1 92 VAL HB . . 5.000 3.869 3.023 5.026 0.026 2 0 "[ . 1 . 2]" 1
338 1 89 VAL HA 1 93 ALA H . . 5.000 3.625 3.332 3.862 . 0 0 "[ . 1 . 2]" 1
339 1 89 VAL HA 1 106 ALA MB . . 3.800 1.964 1.890 2.239 . 0 0 "[ . 1 . 2]" 1
340 1 89 VAL QG 1 103 ALA H . . 6.500 3.856 3.699 3.980 . 0 0 "[ . 1 . 2]" 1
341 1 89 VAL QG 1 103 ALA HA . . 4.800 2.272 1.841 2.625 . 0 0 "[ . 1 . 2]" 1
342 1 89 VAL QG 1 103 ALA MB . . 4.800 2.521 2.321 2.728 . 0 0 "[ . 1 . 2]" 1
343 1 90 PHE H 1 91 ALA H . . 2.800 2.573 2.385 2.646 . 0 0 "[ . 1 . 2]" 1
344 1 90 PHE H 1 92 VAL H . . 5.000 4.375 4.050 4.704 . 0 0 "[ . 1 . 2]" 1
345 1 90 PHE H 1 93 ALA H . . 5.000 4.743 4.599 4.875 . 0 0 "[ . 1 . 2]" 1
346 1 90 PHE HA 1 93 ALA MB . . 5.500 2.797 2.378 3.217 . 0 0 "[ . 1 . 2]" 1
347 1 90 PHE HA 1 94 GLY H . . 5.000 3.883 3.758 4.100 . 0 0 "[ . 1 . 2]" 1
348 1 90 PHE QD 1 95 LEU QD . . 7.100 3.804 3.656 3.957 . 0 0 "[ . 1 . 2]" 1
349 1 90 PHE QE 1 95 LEU QD . . 6.500 3.449 3.344 3.549 . 0 0 "[ . 1 . 2]" 1
350 1 91 ALA H 1 92 VAL H . . 2.800 2.753 2.644 2.853 0.053 16 0 "[ . 1 . 2]" 1
351 1 91 ALA H 1 93 ALA H . . 5.000 4.224 3.966 4.423 . 0 0 "[ . 1 . 2]" 1
352 1 91 ALA H 1 94 GLY H . . 5.000 4.526 4.432 4.719 . 0 0 "[ . 1 . 2]" 1
353 1 91 ALA HA 1 95 LEU H . . 5.000 3.210 3.048 3.391 . 0 0 "[ . 1 . 2]" 1
354 1 91 ALA MB 1 110 TYR QD . . 5.500 4.189 3.688 4.308 . 0 0 "[ . 1 . 2]" 1
355 1 91 ALA MB 1 110 TYR QE . . 5.500 3.010 1.915 3.498 . 0 0 "[ . 1 . 2]" 1
356 1 92 VAL H 1 93 ALA H . . 2.800 2.655 2.534 2.777 . 0 0 "[ . 1 . 2]" 1
357 1 92 VAL H 1 94 GLY H . . 5.000 3.687 3.544 3.793 . 0 0 "[ . 1 . 2]" 1
358 1 92 VAL HA 1 95 LEU QB . . 5.800 3.716 3.483 3.878 . 0 0 "[ . 1 . 2]" 1
359 1 92 VAL QG 1 106 ALA HA . . 4.800 3.405 3.157 3.618 . 0 0 "[ . 1 . 2]" 1
360 1 92 VAL QG 1 106 ALA MB . . 5.300 2.749 2.300 3.073 . 0 0 "[ . 1 . 2]" 1
361 1 92 VAL QG 1 110 TYR H . . 6.500 4.048 3.425 4.683 . 0 0 "[ . 1 . 2]" 1
362 1 92 VAL QG 1 110 TYR QD . . 7.500 2.430 1.918 3.420 . 0 0 "[ . 1 . 2]" 1
363 1 93 ALA H 1 94 GLY H . . 2.800 2.605 2.570 2.631 . 0 0 "[ . 1 . 2]" 1
364 1 93 ALA H 1 95 LEU H . . 5.000 4.950 4.789 5.065 0.065 18 0 "[ . 1 . 2]" 1
365 1 94 GLY H 1 95 LEU H . . 2.800 2.651 2.521 2.744 . 0 0 "[ . 1 . 2]" 1
366 1 95 LEU H 1 96 LEU H . . 2.800 2.689 2.613 2.735 . 0 0 "[ . 1 . 2]" 1
367 1 96 LEU H 1 97 ASN H . . 2.800 2.300 2.100 2.487 . 0 0 "[ . 1 . 2]" 1
368 1 96 LEU QD 1 113 MET ME . . 6.000 2.887 2.063 3.548 . 0 0 "[ . 1 . 2]" 1
369 1 97 ASN H 1 98 MET H . . 2.800 2.774 2.763 2.783 . 0 0 "[ . 1 . 2]" 1
370 1 99 THR HA 1 100 VAL H . . 2.700 2.446 2.146 2.705 0.005 14 0 "[ . 1 . 2]" 1
371 1 100 VAL HA 1 105 ALA MB . . 5.500 4.195 3.643 4.497 . 0 0 "[ . 1 . 2]" 1
372 1 100 VAL QG 1 106 ALA H . . 5.500 2.729 2.299 3.379 . 0 0 "[ . 1 . 2]" 1
373 1 100 VAL QG 1 106 ALA HA . . 3.800 2.334 1.956 2.821 . 0 0 "[ . 1 . 2]" 1
374 1 100 VAL QG 1 106 ALA MB . . 4.300 1.767 1.653 1.965 . 0 0 "[ . 1 . 2]" 1
375 1 101 SER QB 1 102 THR MG . . 4.000 2.340 2.168 2.580 . 0 0 "[ . 1 . 2]" 1
376 1 102 THR H 1 104 ALA H . . 5.000 5.004 4.949 5.024 0.024 10 0 "[ . 1 . 2]" 1
377 1 102 THR H 1 105 ALA H . . 5.000 3.801 3.580 4.118 . 0 0 "[ . 1 . 2]" 1
378 1 102 THR H 1 106 ALA H . . 5.000 4.110 3.968 4.596 . 0 0 "[ . 1 . 2]" 1
379 1 102 THR HA 1 103 ALA H . . 2.700 2.254 2.168 2.327 . 0 0 "[ . 1 . 2]" 1
380 1 103 ALA H 1 104 ALA H . . 2.800 2.791 2.737 2.813 0.013 15 0 "[ . 1 . 2]" 1
381 1 103 ALA H 1 105 ALA H . . 5.000 4.449 4.183 4.681 . 0 0 "[ . 1 . 2]" 1
382 1 103 ALA H 1 106 ALA H . . 5.000 4.992 4.914 5.057 0.057 10 0 "[ . 1 . 2]" 1
383 1 103 ALA HA 1 106 ALA MB . . 5.500 2.741 2.413 3.083 . 0 0 "[ . 1 . 2]" 1
384 1 103 ALA HA 1 107 GLU H . . 5.000 4.303 4.139 4.397 . 0 0 "[ . 1 . 2]" 1
385 1 104 ALA H 1 105 ALA H . . 2.800 2.701 2.558 2.805 0.005 13 0 "[ . 1 . 2]" 1
386 1 104 ALA H 1 106 ALA H . . 5.000 4.115 3.934 4.271 . 0 0 "[ . 1 . 2]" 1
387 1 104 ALA H 1 107 GLU H . . 5.000 4.968 4.882 5.012 0.012 11 0 "[ . 1 . 2]" 1
388 1 104 ALA HA 1 107 GLU QB . . 5.800 3.019 2.726 4.027 . 0 0 "[ . 1 . 2]" 1
389 1 104 ALA HA 1 108 ASN H . . 5.000 4.288 3.976 4.445 . 0 0 "[ . 1 . 2]" 1
390 1 105 ALA H 1 106 ALA H . . 2.800 2.729 2.649 2.795 . 0 0 "[ . 1 . 2]" 1
391 1 105 ALA H 1 107 GLU H . . 5.000 4.493 4.354 4.669 . 0 0 "[ . 1 . 2]" 1
392 1 105 ALA H 1 108 ASN H . . 5.000 4.875 4.680 4.999 . 0 0 "[ . 1 . 2]" 1
393 1 105 ALA HA 1 108 ASN QB . . 5.800 2.712 2.298 2.974 . 0 0 "[ . 1 . 2]" 1
394 1 105 ALA HA 1 109 MET H . . 5.000 4.297 4.035 4.425 . 0 0 "[ . 1 . 2]" 1
395 1 106 ALA H 1 107 GLU H . . 2.800 2.780 2.704 2.809 0.009 7 0 "[ . 1 . 2]" 1
396 1 106 ALA H 1 108 ASN H . . 5.000 4.038 3.807 4.214 . 0 0 "[ . 1 . 2]" 1
397 1 106 ALA H 1 109 MET H . . 5.000 4.788 4.508 4.966 . 0 0 "[ . 1 . 2]" 1
398 1 106 ALA HA 1 109 MET QB . . 5.800 2.776 2.318 3.236 . 0 0 "[ . 1 . 2]" 1
399 1 106 ALA HA 1 110 TYR H . . 5.000 4.211 3.949 4.444 . 0 0 "[ . 1 . 2]" 1
400 1 107 GLU H 1 108 ASN H . . 2.800 2.746 2.610 2.805 0.005 5 0 "[ . 1 . 2]" 1
401 1 107 GLU H 1 109 MET H . . 5.000 4.309 4.067 4.531 . 0 0 "[ . 1 . 2]" 1
402 1 107 GLU H 1 110 TYR H . . 5.000 4.867 4.640 5.019 0.019 5 0 "[ . 1 . 2]" 1
403 1 107 GLU HA 1 110 TYR QB . . 5.800 2.752 2.365 3.275 . 0 0 "[ . 1 . 2]" 1
404 1 107 GLU HA 1 111 SER H . . 5.000 4.084 3.717 4.345 . 0 0 "[ . 1 . 2]" 1
405 1 108 ASN H 1 109 MET H . . 2.800 2.652 2.451 2.802 0.002 2 0 "[ . 1 . 2]" 1
406 1 108 ASN H 1 110 TYR H . . 5.000 4.141 3.921 4.439 . 0 0 "[ . 1 . 2]" 1
407 1 108 ASN H 1 111 SER H . . 5.000 4.891 4.697 5.008 0.008 2 0 "[ . 1 . 2]" 1
408 1 108 ASN HA 1 111 SER QB . . 5.800 3.375 2.314 4.233 . 0 0 "[ . 1 . 2]" 1
409 1 108 ASN HA 1 112 GLN H . . 5.000 3.759 3.410 4.005 . 0 0 "[ . 1 . 2]" 1
410 1 109 MET H 1 110 TYR H . . 2.800 2.655 2.575 2.742 . 0 0 "[ . 1 . 2]" 1
411 1 109 MET H 1 111 SER H . . 5.000 4.321 3.957 4.677 . 0 0 "[ . 1 . 2]" 1
412 1 109 MET H 1 112 GLN H . . 5.000 4.626 4.439 4.776 . 0 0 "[ . 1 . 2]" 1
413 1 109 MET HA 1 112 GLN QB . . 5.800 2.493 1.998 3.328 . 0 0 "[ . 1 . 2]" 1
414 1 109 MET HA 1 113 MET H . . 5.000 3.881 3.574 4.207 . 0 0 "[ . 1 . 2]" 1
415 1 110 TYR H 1 111 SER H . . 2.800 2.762 2.559 2.815 0.015 3 0 "[ . 1 . 2]" 1
416 1 110 TYR H 1 112 GLN H . . 5.000 4.112 3.942 4.398 . 0 0 "[ . 1 . 2]" 1
417 1 110 TYR H 1 113 MET H . . 5.000 4.626 4.515 4.994 . 0 0 "[ . 1 . 2]" 1
418 1 110 TYR HA 1 113 MET QB . . 5.800 2.812 2.249 3.528 . 0 0 "[ . 1 . 2]" 1
419 1 110 TYR HA 1 115 LEU QD . . 3.800 2.109 1.914 2.443 . 0 0 "[ . 1 . 2]" 1
420 1 110 TYR QD 1 115 LEU MD1 . . 5.600 2.964 2.545 3.509 . 0 0 "[ . 1 . 2]" 1
421 1 110 TYR QD 1 116 ASP H . . 7.300 4.649 3.132 5.945 . 0 0 "[ . 1 . 2]" 1
422 1 110 TYR QE 1 115 LEU MD1 . . 5.600 3.383 2.742 4.125 . 0 0 "[ . 1 . 2]" 1
423 1 111 SER H 1 112 GLN H . . 2.800 2.611 2.352 2.811 0.011 5 0 "[ . 1 . 2]" 1
424 1 111 SER H 1 113 MET H . . 5.000 3.956 3.883 4.100 . 0 0 "[ . 1 . 2]" 1
425 1 111 SER H 1 114 GLY H . . 5.000 4.902 4.697 5.013 0.013 5 0 "[ . 1 . 2]" 1
426 1 112 GLN H 1 113 MET H . . 2.800 2.634 2.596 2.697 . 0 0 "[ . 1 . 2]" 1
427 1 112 GLN H 1 114 GLY H . . 5.000 4.035 3.935 4.169 . 0 0 "[ . 1 . 2]" 1
428 1 112 GLN H 1 115 LEU H . . 5.000 5.009 5.000 5.018 0.018 10 0 "[ . 1 . 2]" 1
429 1 113 MET H 1 114 GLY H . . 2.800 2.504 2.252 2.660 . 0 0 "[ . 1 . 2]" 1
430 1 113 MET H 1 115 LEU H . . 5.000 3.773 3.569 3.949 . 0 0 "[ . 1 . 2]" 1
431 1 113 MET H 1 116 ASP H . . 5.000 5.001 4.957 5.007 0.007 18 0 "[ . 1 . 2]" 1
432 1 114 GLY H 1 115 LEU H . . 2.800 2.032 1.900 2.157 . 0 0 "[ . 1 . 2]" 1
433 1 114 GLY H 1 116 ASP H . . 5.000 3.538 3.249 3.902 . 0 0 "[ . 1 . 2]" 1
434 1 115 LEU H 1 116 ASP H . . 2.800 2.168 1.943 2.463 . 0 0 "[ . 1 . 2]" 1
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