NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
443946 |
2kfw   |
16240 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kfw
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 1154
_Distance_constraint_stats_list.Viol_count 1232
_Distance_constraint_stats_list.Viol_total 509.284
_Distance_constraint_stats_list.Viol_max 1.380
_Distance_constraint_stats_list.Viol_rms 0.0224
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0207
_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 MET 0.037 0.013 6 0 "[ . 1 . 2]"
1 2 LYS 0.078 0.018 9 0 "[ . 1 . 2]"
1 3 VAL 0.866 0.066 15 0 "[ . 1 . 2]"
1 4 ALA 0.951 0.078 19 0 "[ . 1 . 2]"
1 5 LYS 0.103 0.022 16 0 "[ . 1 . 2]"
1 6 ASP 0.072 0.013 19 0 "[ . 1 . 2]"
1 7 LEU 0.199 0.078 19 0 "[ . 1 . 2]"
1 8 VAL 0.316 0.026 17 0 "[ . 1 . 2]"
1 9 VAL 0.116 0.022 5 0 "[ . 1 . 2]"
1 10 SER 0.102 0.010 6 0 "[ . 1 . 2]"
1 11 LEU 0.244 0.018 10 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 TYR 0.208 0.020 16 0 "[ . 1 . 2]"
1 14 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 VAL 0.105 0.017 10 0 "[ . 1 . 2]"
1 16 ARG 0.013 0.004 11 0 "[ . 1 . 2]"
1 17 THR 0.281 0.017 4 0 "[ . 1 . 2]"
1 18 GLU 0.060 0.017 4 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASP 0.196 0.014 4 0 "[ . 1 . 2]"
1 25 GLU 0.031 0.012 2 0 "[ . 1 . 2]"
1 26 SER 0.099 0.020 16 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ALA 0.008 0.004 10 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 20 0 "[ . 1 . 2]"
1 32 LEU 0.088 0.015 12 0 "[ . 1 . 2]"
1 33 ASP 0.082 0.016 8 0 "[ . 1 . 2]"
1 34 TYR 0.025 0.006 4 0 "[ . 1 . 2]"
1 35 LEU 0.366 0.029 12 0 "[ . 1 . 2]"
1 36 HIS 0.055 0.017 12 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 4 0 "[ . 1 . 2]"
1 38 HIS 0.632 0.264 11 0 "[ . 1 . 2]"
1 39 GLY 0.433 0.264 11 0 "[ . 1 . 2]"
1 40 SER 0.159 0.033 6 0 "[ . 1 . 2]"
1 41 LEU 0.175 0.018 10 0 "[ . 1 . 2]"
1 42 ILE 0.254 0.019 10 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 GLY 0.024 0.018 2 0 "[ . 1 . 2]"
1 45 LEU 0.057 0.017 10 0 "[ . 1 . 2]"
1 46 GLU 0.039 0.009 17 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 ALA 0.024 0.011 7 0 "[ . 1 . 2]"
1 49 LEU 0.037 0.011 16 0 "[ . 1 . 2]"
1 50 GLU 0.114 0.024 1 0 "[ . 1 . 2]"
1 51 GLY 0.035 0.010 16 0 "[ . 1 . 2]"
1 52 HIS 0.093 0.013 19 0 "[ . 1 . 2]"
1 53 GLU 0.045 0.013 19 0 "[ . 1 . 2]"
1 54 VAL 2.840 0.146 5 0 "[ . 1 . 2]"
1 55 GLY 2.776 0.146 5 0 "[ . 1 . 2]"
1 56 ASP 0.100 0.023 13 0 "[ . 1 . 2]"
1 57 LYS 0.026 0.008 16 0 "[ . 1 . 2]"
1 58 PHE 0.018 0.009 20 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.012 0.004 10 0 "[ . 1 . 2]"
1 61 ALA 0.082 0.074 10 0 "[ . 1 . 2]"
1 62 VAL 0.088 0.010 11 0 "[ . 1 . 2]"
1 63 GLY 0.429 0.031 16 0 "[ . 1 . 2]"
1 64 ALA 0.245 0.031 16 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.300 0.026 13 0 "[ . 1 . 2]"
1 67 ALA 0.247 0.025 11 0 "[ . 1 . 2]"
1 68 TYR 0.110 0.014 10 0 "[ . 1 . 2]"
1 69 GLY 0.106 0.025 11 0 "[ . 1 . 2]"
1 70 GLN 0.120 0.013 10 0 "[ . 1 . 2]"
1 71 TYR 0.295 0.059 20 0 "[ . 1 . 2]"
1 72 ASP 0.652 0.101 20 0 "[ . 1 . 2]"
1 73 GLU 0.226 0.152 13 0 "[ . 1 . 2]"
1 74 ASN 9.704 1.380 15 9 "[** *.* - 1** +* 2]"
1 75 LEU 9.664 1.380 15 9 "[** *.* - 1** +* 2]"
1 76 VAL 0.401 0.152 13 0 "[ . 1 . 2]"
1 77 GLN 0.087 0.032 13 0 "[ . 1 . 2]"
1 78 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 VAL 0.029 0.013 17 0 "[ . 1 . 2]"
1 80 PRO 0.045 0.017 18 0 "[ . 1 . 2]"
1 81 LYS 0.004 0.003 13 0 "[ . 1 . 2]"
1 82 ASP 0.039 0.009 20 0 "[ . 1 . 2]"
1 83 VAL 0.052 0.009 20 0 "[ . 1 . 2]"
1 84 PHE 0.048 0.011 1 0 "[ . 1 . 2]"
1 85 MET 0.018 0.011 1 0 "[ . 1 . 2]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 VAL 0.076 0.032 20 0 "[ . 1 . 2]"
1 88 ASP 0.026 0.011 9 0 "[ . 1 . 2]"
1 89 GLU 0.839 0.172 15 0 "[ . 1 . 2]"
1 90 LEU 0.900 0.172 15 0 "[ . 1 . 2]"
1 91 GLN 0.013 0.004 8 0 "[ . 1 . 2]"
1 92 VAL 0.003 0.003 5 0 "[ . 1 . 2]"
1 93 GLY 0.072 0.018 2 0 "[ . 1 . 2]"
1 94 MET 0.028 0.018 13 0 "[ . 1 . 2]"
1 95 ARG 0.019 0.018 13 0 "[ . 1 . 2]"
1 96 PHE 0.075 0.007 13 0 "[ . 1 . 2]"
1 97 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ALA 0.004 0.002 18 0 "[ . 1 . 2]"
1 99 GLU 0.013 0.007 13 0 "[ . 1 . 2]"
1 100 THR 0.001 0.001 10 0 "[ . 1 . 2]"
1 101 ASP 0.124 0.020 8 0 "[ . 1 . 2]"
1 102 GLN 0.193 0.031 8 0 "[ . 1 . 2]"
1 103 GLY 0.318 0.031 8 0 "[ . 1 . 2]"
1 104 PRO 0.130 0.047 13 0 "[ . 1 . 2]"
1 105 VAL 0.132 0.047 13 0 "[ . 1 . 2]"
1 106 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 107 VAL 0.090 0.021 14 0 "[ . 1 . 2]"
1 108 GLU 0.078 0.009 1 0 "[ . 1 . 2]"
1 109 ILE 0.179 0.018 2 0 "[ . 1 . 2]"
1 110 THR 0.057 0.009 18 0 "[ . 1 . 2]"
1 111 ALA 0.010 0.004 12 0 "[ . 1 . 2]"
1 112 VAL 0.019 0.007 18 0 "[ . 1 . 2]"
1 113 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 116 HIS 0.045 0.017 18 0 "[ . 1 . 2]"
1 117 VAL 0.031 0.013 17 0 "[ . 1 . 2]"
1 118 VAL 0.016 0.005 4 0 "[ . 1 . 2]"
1 119 VAL 0.209 0.032 13 0 "[ . 1 . 2]"
1 120 ASP 0.131 0.022 18 0 "[ . 1 . 2]"
1 122 ASN 0.021 0.016 10 0 "[ . 1 . 2]"
1 123 HIS 0.037 0.010 10 0 "[ . 1 . 2]"
1 124 MET 0.005 0.005 1 0 "[ . 1 . 2]"
1 125 LEU 0.039 0.021 9 0 "[ . 1 . 2]"
1 126 ALA 0.867 0.101 20 0 "[ . 1 . 2]"
1 127 GLY 0.008 0.004 20 0 "[ . 1 . 2]"
1 128 GLN 0.120 0.052 6 0 "[ . 1 . 2]"
1 129 ASN 0.158 0.052 6 0 "[ . 1 . 2]"
1 130 LEU 0.276 0.074 10 0 "[ . 1 . 2]"
1 131 LYS 0.005 0.004 9 0 "[ . 1 . 2]"
1 132 PHE 0.071 0.016 8 0 "[ . 1 . 2]"
1 133 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 134 VAL 0.070 0.010 11 0 "[ . 1 . 2]"
1 135 GLU 0.078 0.013 17 0 "[ . 1 . 2]"
1 136 VAL 0.241 0.018 12 0 "[ . 1 . 2]"
1 137 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 138 ALA 0.429 0.026 17 0 "[ . 1 . 2]"
1 139 ILE 0.876 0.060 5 0 "[ . 1 . 2]"
1 140 ARG 0.148 0.060 5 0 "[ . 1 . 2]"
1 141 GLU 0.001 0.001 5 0 "[ . 1 . 2]"
1 142 ALA 0.492 0.041 8 0 "[ . 1 . 2]"
1 143 THR 0.910 0.302 7 0 "[ . 1 . 2]"
1 144 GLU 0.181 0.014 10 0 "[ . 1 . 2]"
1 145 GLU 0.372 0.026 10 0 "[ . 1 . 2]"
1 146 GLU 0.358 0.041 8 0 "[ . 1 . 2]"
1 147 LEU 1.282 0.302 7 0 "[ . 1 . 2]"
1 148 ALA 2.191 0.087 5 0 "[ . 1 . 2]"
1 149 HIS 0.859 0.073 20 0 "[ . 1 . 2]"
1 150 GLY 1.293 0.087 5 0 "[ . 1 . 2]"
1 151 HIS 0.076 0.013 11 0 "[ . 1 . 2]"
1 152 VAL 0.045 0.011 15 0 "[ . 1 . 2]"
1 153 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 154 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 155 ALA 0.003 0.002 2 0 "[ . 1 . 2]"
1 156 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 157 ASP 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 2 LYS H 1 139 ILE MD 0.000 . 5.500 4.348 2.409 5.270 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS H 1 139 ILE MG 0.000 . 5.500 4.662 3.839 5.502 0.002 11 0 "[ . 1 . 2]" 1
3 1 4 ALA H 1 139 ILE MD 0.000 . 3.800 3.819 3.803 3.841 0.041 14 0 "[ . 1 . 2]" 1
4 1 4 ALA H 1 139 ILE MG 0.000 . 3.800 2.975 2.300 3.806 0.006 18 0 "[ . 1 . 2]" 1
5 1 6 ASP H 1 35 LEU QD 0.000 . 3.800 3.584 2.471 3.813 0.013 19 0 "[ . 1 . 2]" 1
6 1 6 ASP H 1 147 LEU QD 0.000 . 5.500 3.530 2.460 4.342 . 0 0 "[ . 1 . 2]" 1
7 1 7 LEU H 1 36 HIS H 0.000 . 5.500 3.220 2.182 3.762 . 0 0 "[ . 1 . 2]" 1
8 1 7 LEU H 1 35 LEU QD 0.000 . 3.800 2.734 1.790 3.737 . 0 0 "[ . 1 . 2]" 1
9 1 7 LEU H 1 36 HIS QB 0.000 . 3.800 3.513 2.741 3.817 0.017 12 0 "[ . 1 . 2]" 1
10 1 3 VAL QG 1 7 LEU H 0.000 . 5.500 5.055 4.031 5.511 0.011 9 0 "[ . 1 . 2]" 1
11 1 8 VAL H 1 140 ARG H 0.000 . 5.500 3.433 2.963 3.875 . 0 0 "[ . 1 . 2]" 1
12 1 9 VAL H 1 34 TYR H 0.000 . 3.800 2.617 2.000 3.117 . 0 0 "[ . 1 . 2]" 1
13 1 9 VAL H 1 35 LEU HA 0.000 . 5.500 3.874 3.378 4.374 . 0 0 "[ . 1 . 2]" 1
14 1 9 VAL H 1 35 LEU QD 0.000 . 5.500 4.509 3.801 5.250 . 0 0 "[ . 1 . 2]" 1
15 1 9 VAL H 1 140 ARG H 0.000 . 5.500 5.030 4.727 5.188 . 0 0 "[ . 1 . 2]" 1
16 1 10 SER H 1 138 ALA H 0.000 . 3.800 2.792 2.568 3.041 . 0 0 "[ . 1 . 2]" 1
17 1 10 SER H 1 140 ARG H 0.000 . 5.500 5.389 5.130 5.508 0.008 16 0 "[ . 1 . 2]" 1
18 1 10 SER H 1 138 ALA MB 0.000 . 5.500 3.264 2.766 3.540 . 0 0 "[ . 1 . 2]" 1
19 1 11 LEU H 1 32 LEU H 0.000 . 3.800 3.374 2.687 3.805 0.005 10 0 "[ . 1 . 2]" 1
20 1 11 LEU H 1 33 ASP HA 0.000 . 3.800 3.738 3.572 3.806 0.006 17 0 "[ . 1 . 2]" 1
21 1 11 LEU H 1 31 PRO QB 0.000 . 5.500 3.219 2.552 3.785 . 0 0 "[ . 1 . 2]" 1
22 1 11 LEU H 1 31 PRO QG 0.000 . 5.500 4.892 4.235 5.500 0.000 20 0 "[ . 1 . 2]" 1
23 1 11 LEU H 1 32 LEU QD 0.000 . 5.500 4.744 4.017 5.333 . 0 0 "[ . 1 . 2]" 1
24 1 12 ALA H 1 136 VAL HA 0.000 . 5.500 4.646 4.364 4.815 . 0 0 "[ . 1 . 2]" 1
25 1 13 TYR H 1 26 SER H 0.000 . 2.800 2.782 2.433 2.820 0.020 16 0 "[ . 1 . 2]" 1
26 1 14 GLN H 1 133 ASN H 0.000 . 5.500 2.878 2.568 3.315 . 0 0 "[ . 1 . 2]" 1
27 1 14 GLN H 1 134 VAL HA 0.000 . 5.500 4.218 3.685 4.516 . 0 0 "[ . 1 . 2]" 1
28 1 15 VAL H 1 24 ASP H 0.000 . 3.800 3.434 2.639 3.762 . 0 0 "[ . 1 . 2]" 1
29 1 16 ARG H 1 131 LYS H 0.000 . 5.500 3.448 2.868 3.979 . 0 0 "[ . 1 . 2]" 1
30 1 16 ARG H 1 132 PHE HA 0.000 . 3.800 3.599 2.887 3.804 0.004 11 0 "[ . 1 . 2]" 1
31 1 17 THR H 1 21 VAL H 0.000 . 3.800 2.923 2.634 3.173 . 0 0 "[ . 1 . 2]" 1
32 1 17 THR H 1 22 LEU HA 0.000 . 3.800 3.442 3.124 3.739 . 0 0 "[ . 1 . 2]" 1
33 1 17 THR H 1 23 VAL H 0.000 . 5.500 3.959 3.604 4.864 . 0 0 "[ . 1 . 2]" 1
34 1 18 GLU H 1 130 LEU HA 0.000 . 5.500 4.046 3.375 5.240 . 0 0 "[ . 1 . 2]" 1
35 1 18 GLU H 1 130 LEU QD 0.000 . 5.500 4.781 3.659 5.495 . 0 0 "[ . 1 . 2]" 1
36 1 17 THR MG 1 21 VAL H 0.000 . 5.500 4.317 3.974 4.830 . 0 0 "[ . 1 . 2]" 1
37 1 16 ARG HA 1 23 VAL H 0.000 . 3.800 2.949 2.408 3.696 . 0 0 "[ . 1 . 2]" 1
38 1 15 VAL QG 1 23 VAL H 0.000 . 5.500 2.750 2.005 3.799 . 0 0 "[ . 1 . 2]" 1
39 1 16 ARG HA 1 24 ASP H 0.000 . 5.500 4.815 4.483 5.301 . 0 0 "[ . 1 . 2]" 1
40 1 15 VAL QG 1 24 ASP H 0.000 . 3.800 2.129 1.720 2.871 . 0 0 "[ . 1 . 2]" 1
41 1 17 THR MG 1 24 ASP H 0.000 . 5.500 5.506 5.496 5.514 0.014 4 0 "[ . 1 . 2]" 1
42 1 13 TYR QR 1 25 GLU H 0.000 . 5.500 5.374 5.029 5.512 0.012 2 0 "[ . 1 . 2]" 1
43 1 13 TYR QR 1 26 SER H 0.000 . 5.500 3.909 3.239 4.291 . 0 0 "[ . 1 . 2]" 1
44 1 12 ALA HA 1 32 LEU H 0.000 . 5.500 3.202 2.702 3.891 . 0 0 "[ . 1 . 2]" 1
45 1 13 TYR QR 1 32 LEU H 0.000 . 5.500 3.977 3.162 4.926 . 0 0 "[ . 1 . 2]" 1
46 1 32 LEU H 1 41 LEU QD 0.000 . 5.500 5.425 4.850 5.515 0.015 12 0 "[ . 1 . 2]" 1
47 1 26 SER QB 1 32 LEU H 0.000 . 3.800 3.679 3.191 3.803 0.003 14 0 "[ . 1 . 2]" 1
48 1 10 SER HA 1 34 TYR H 0.000 . 3.800 3.681 3.299 3.805 0.005 12 0 "[ . 1 . 2]" 1
49 1 8 VAL QG 1 34 TYR H 0.000 . 5.500 4.031 2.807 5.129 . 0 0 "[ . 1 . 2]" 1
50 1 8 VAL HB 1 34 TYR H 0.000 . 5.500 5.019 3.807 5.506 0.006 4 0 "[ . 1 . 2]" 1
51 1 8 VAL HA 1 34 TYR H 0.000 . 5.500 4.000 3.628 4.716 . 0 0 "[ . 1 . 2]" 1
52 1 44 GLY H 1 66 ASP QB 0.000 . 3.800 3.157 1.829 3.818 0.018 2 0 "[ . 1 . 2]" 1
53 1 3 VAL QG 1 49 LEU H 0.000 . 5.500 4.658 4.195 5.124 . 0 0 "[ . 1 . 2]" 1
54 1 3 VAL QG 1 50 GLU H 0.000 . 3.800 3.363 2.951 3.802 0.002 11 0 "[ . 1 . 2]" 1
55 1 3 VAL QG 1 51 GLY H 0.000 . 3.800 2.806 2.018 3.664 . 0 0 "[ . 1 . 2]" 1
56 1 3 VAL HB 1 51 GLY H 0.000 . 3.800 3.286 2.512 3.802 0.002 14 0 "[ . 1 . 2]" 1
57 1 55 GLY H 1 136 VAL H 0.000 . 5.500 3.931 3.534 4.297 . 0 0 "[ . 1 . 2]" 1
58 1 55 GLY H 1 136 VAL HB 0.000 . 5.500 3.234 2.173 4.829 . 0 0 "[ . 1 . 2]" 1
59 1 55 GLY H 1 136 VAL HA 0.000 . 5.500 4.738 4.162 5.258 . 0 0 "[ . 1 . 2]" 1
60 1 55 GLY H 1 136 VAL QG 0.000 . 5.500 2.831 1.719 3.844 . 0 0 "[ . 1 . 2]" 1
61 1 56 ASP H 1 136 VAL H 0.000 . 3.800 3.775 3.689 3.808 0.008 9 0 "[ . 1 . 2]" 1
62 1 58 PHE H 1 134 VAL H 0.000 . 3.800 3.011 2.390 3.380 . 0 0 "[ . 1 . 2]" 1
63 1 58 PHE H 1 135 GLU HA 0.000 . 3.800 3.542 3.000 3.806 0.006 12 0 "[ . 1 . 2]" 1
64 1 58 PHE H 1 134 VAL QG 0.000 . 5.500 3.523 2.150 4.598 . 0 0 "[ . 1 . 2]" 1
65 1 58 PHE H 1 134 VAL HB 0.000 . 5.500 4.257 3.121 5.324 . 0 0 "[ . 1 . 2]" 1
66 1 60 VAL H 1 132 PHE H 0.000 . 3.800 3.500 2.964 3.800 . 0 0 "[ . 1 . 2]" 1
67 1 60 VAL H 1 134 VAL H 0.000 . 5.500 4.399 3.808 5.270 . 0 0 "[ . 1 . 2]" 1
68 1 60 VAL H 1 133 ASN HA 0.000 . 3.800 3.181 2.663 3.603 . 0 0 "[ . 1 . 2]" 1
69 1 60 VAL H 1 134 VAL QG 0.000 . 5.500 3.794 3.286 4.541 . 0 0 "[ . 1 . 2]" 1
70 1 48 ALA MB 1 60 VAL H 0.000 . 5.500 5.395 5.035 5.504 0.004 10 0 "[ . 1 . 2]" 1
71 1 61 ALA H 1 132 PHE H 0.000 . 5.500 5.060 4.546 5.509 0.009 6 0 "[ . 1 . 2]" 1
72 1 62 VAL H 1 130 LEU H 0.000 . 3.800 3.726 3.399 3.809 0.009 18 0 "[ . 1 . 2]" 1
73 1 62 VAL H 1 132 PHE H 0.000 . 5.500 4.090 3.282 4.446 . 0 0 "[ . 1 . 2]" 1
74 1 62 VAL H 1 131 LYS HA 0.000 . 3.800 3.373 2.561 3.804 0.004 9 0 "[ . 1 . 2]" 1
75 1 64 ALA H 1 130 LEU H 0.000 . 3.800 3.758 3.505 3.807 0.007 6 0 "[ . 1 . 2]" 1
76 1 64 ALA H 1 129 ASN H 0.000 . 3.800 3.506 2.077 3.805 0.005 2 0 "[ . 1 . 2]" 1
77 1 64 ALA H 1 129 ASN QB 0.000 . 5.500 3.150 1.862 4.886 . 0 0 "[ . 1 . 2]" 1
78 1 64 ALA H 1 129 ASN HA 0.000 . 5.500 2.226 1.833 4.454 . 0 0 "[ . 1 . 2]" 1
79 1 42 ILE MD 1 68 TYR H 0.000 . 5.500 3.888 2.609 4.994 . 0 0 "[ . 1 . 2]" 1
80 1 42 ILE MG 1 68 TYR H 0.000 . 5.500 3.845 2.373 4.762 . 0 0 "[ . 1 . 2]" 1
81 1 64 ALA MB 1 69 GLY H 0.000 . 5.500 4.599 3.671 5.502 0.002 4 0 "[ . 1 . 2]" 1
82 1 64 ALA MB 1 70 GLN H 0.000 . 5.500 3.624 1.849 5.496 . 0 0 "[ . 1 . 2]" 1
83 1 70 GLN H 1 126 ALA MB 0.000 . 5.500 4.251 1.946 5.502 0.002 20 0 "[ . 1 . 2]" 1
84 1 70 GLN H 1 126 ALA HA 0.000 . 5.500 4.717 2.942 5.513 0.013 10 0 "[ . 1 . 2]" 1
85 1 63 GLY QA 1 70 GLN H 0.000 . 5.500 5.006 4.208 5.509 0.009 9 0 "[ . 1 . 2]" 1
86 1 71 TYR H 1 126 ALA MB 0.000 . 3.800 2.865 1.739 3.859 0.059 20 0 "[ . 1 . 2]" 1
87 1 72 ASP H 1 126 ALA MB 0.000 . 3.800 3.555 1.835 3.901 0.101 20 0 "[ . 1 . 2]" 1
88 1 77 GLN H 1 119 VAL H 0.000 . 3.800 3.563 2.857 3.832 0.032 13 0 "[ . 1 . 2]" 1
89 1 77 GLN H 1 120 ASP HA 0.000 . 3.800 3.356 2.474 3.818 0.018 17 0 "[ . 1 . 2]" 1
90 1 79 VAL H 1 117 VAL H 0.000 . 3.800 3.520 2.867 3.813 0.013 17 0 "[ . 1 . 2]" 1
91 1 79 VAL H 1 118 VAL HA 0.000 . 5.500 2.974 1.973 3.753 . 0 0 "[ . 1 . 2]" 1
92 1 81 LYS H 1 117 VAL H 0.000 . 5.500 4.178 3.853 4.763 . 0 0 "[ . 1 . 2]" 1
93 1 81 LYS H 1 116 HIS HA 0.000 . 5.500 3.712 3.133 4.369 . 0 0 "[ . 1 . 2]" 1
94 1 81 LYS H 1 90 LEU QD 0.000 . 5.500 5.105 4.367 5.503 0.003 13 0 "[ . 1 . 2]" 1
95 1 93 GLY H 1 109 ILE HB 0.000 . 5.500 3.250 1.948 5.484 . 0 0 "[ . 1 . 2]" 1
96 1 93 GLY H 1 109 ILE MD 0.000 . 5.500 4.285 3.528 5.277 . 0 0 "[ . 1 . 2]" 1
97 1 93 GLY H 1 109 ILE MG 0.000 . 3.800 3.023 1.805 3.818 0.018 2 0 "[ . 1 . 2]" 1
98 1 94 MET H 1 109 ILE H 0.000 . 5.500 4.837 4.296 5.499 . 0 0 "[ . 1 . 2]" 1
99 1 94 MET H 1 109 ILE HB 0.000 . 5.500 3.969 2.532 5.129 . 0 0 "[ . 1 . 2]" 1
100 1 94 MET H 1 109 ILE MD 0.000 . 5.500 3.875 2.825 5.162 . 0 0 "[ . 1 . 2]" 1
101 1 94 MET H 1 109 ILE MG 0.000 . 5.500 3.607 1.896 5.247 . 0 0 "[ . 1 . 2]" 1
102 1 96 PHE H 1 107 VAL H 0.000 . 3.800 3.692 2.913 3.806 0.006 11 0 "[ . 1 . 2]" 1
103 1 96 PHE H 1 108 GLU HA 0.000 . 5.500 3.073 2.377 3.560 . 0 0 "[ . 1 . 2]" 1
104 1 96 PHE H 1 108 GLU QB 0.000 . 5.500 4.849 3.695 5.496 . 0 0 "[ . 1 . 2]" 1
105 1 96 PHE H 1 107 VAL QG 0.000 . 3.800 2.730 2.359 3.782 . 0 0 "[ . 1 . 2]" 1
106 1 96 PHE H 1 109 ILE MD 0.000 . 5.500 4.171 2.638 5.505 0.005 19 0 "[ . 1 . 2]" 1
107 1 96 PHE H 1 109 ILE MG 0.000 . 5.500 5.267 4.566 5.507 0.007 13 0 "[ . 1 . 2]" 1
108 1 98 ALA H 1 105 VAL H 0.000 . 3.800 3.620 3.303 3.802 0.002 18 0 "[ . 1 . 2]" 1
109 1 98 ALA H 1 107 VAL QG 0.000 . 3.800 2.634 1.983 3.247 . 0 0 "[ . 1 . 2]" 1
110 1 98 ALA H 1 106 PRO HA 0.000 . 5.500 2.996 2.000 3.701 . 0 0 "[ . 1 . 2]" 1
111 1 99 GLU H 1 107 VAL QG 0.000 . 5.500 5.288 4.848 5.507 0.007 13 0 "[ . 1 . 2]" 1
112 1 100 THR H 1 104 PRO HA 0.000 . 3.800 3.112 2.314 3.797 . 0 0 "[ . 1 . 2]" 1
113 1 99 GLU HA 1 105 VAL H 0.000 . 3.800 3.267 2.436 3.648 . 0 0 "[ . 1 . 2]" 1
114 1 99 GLU QB 1 105 VAL H 0.000 . 5.500 5.128 4.294 5.478 . 0 0 "[ . 1 . 2]" 1
115 1 99 GLU QG 1 105 VAL H 0.000 . 5.500 4.536 3.314 5.456 . 0 0 "[ . 1 . 2]" 1
116 1 108 GLU H 1 120 ASP H 0.000 . 3.800 2.787 2.114 3.803 0.003 17 0 "[ . 1 . 2]" 1
117 1 108 GLU H 1 119 VAL HA 0.000 . 3.800 3.802 3.786 3.809 0.009 1 0 "[ . 1 . 2]" 1
118 1 108 GLU H 1 119 VAL HB 0.000 . 5.500 3.532 1.978 5.035 . 0 0 "[ . 1 . 2]" 1
119 1 108 GLU H 1 119 VAL QG 0.000 . 5.500 2.657 1.736 3.624 . 0 0 "[ . 1 . 2]" 1
120 1 95 ARG HA 1 109 ILE H 0.000 . 5.500 3.163 2.306 4.355 . 0 0 "[ . 1 . 2]" 1
121 1 110 THR H 1 119 VAL HA 0.000 . 3.800 2.971 2.397 3.635 . 0 0 "[ . 1 . 2]" 1
122 1 110 THR H 1 119 VAL HB 0.000 . 5.500 4.983 4.245 5.505 0.005 13 0 "[ . 1 . 2]" 1
123 1 110 THR H 1 119 VAL QG 0.000 . 5.500 3.829 3.001 4.987 . 0 0 "[ . 1 . 2]" 1
124 1 111 ALA H 1 118 VAL H 0.000 . 3.800 3.659 3.385 3.804 0.004 12 0 "[ . 1 . 2]" 1
125 1 111 ALA H 1 119 VAL HA 0.000 . 5.500 4.543 4.199 5.175 . 0 0 "[ . 1 . 2]" 1
126 1 113 GLU H 1 116 HIS H 0.000 . 5.500 4.212 3.734 4.645 . 0 0 "[ . 1 . 2]" 1
127 1 80 PRO HA 1 117 VAL H 0.000 . 3.800 2.070 1.808 2.598 . 0 0 "[ . 1 . 2]" 1
128 1 112 VAL HA 1 118 VAL H 0.000 . 3.800 3.221 2.450 3.793 . 0 0 "[ . 1 . 2]" 1
129 1 111 ALA MB 1 118 VAL H 0.000 . 5.500 3.991 3.272 4.672 . 0 0 "[ . 1 . 2]" 1
130 1 78 ARG HA 1 119 VAL H 0.000 . 3.800 3.217 2.461 3.783 . 0 0 "[ . 1 . 2]" 1
131 1 109 ILE HA 1 120 ASP H 0.000 . 5.500 4.101 3.563 4.448 . 0 0 "[ . 1 . 2]" 1
132 1 110 THR MG 1 120 ASP H 0.000 . 3.800 3.474 2.552 3.809 0.009 18 0 "[ . 1 . 2]" 1
133 1 71 TYR QD 1 126 ALA H 0.000 . 5.500 4.396 2.539 5.502 0.002 5 0 "[ . 1 . 2]" 1
134 1 71 TYR QE 1 126 ALA H 0.000 . 5.500 4.750 2.309 5.511 0.011 20 0 "[ . 1 . 2]" 1
135 1 64 ALA MB 1 127 GLY H 0.000 . 3.800 2.610 1.777 3.804 0.004 10 0 "[ . 1 . 2]" 1
136 1 64 ALA MB 1 128 GLN H 0.000 . 3.800 3.011 1.832 3.760 . 0 0 "[ . 1 . 2]" 1
137 1 61 ALA HA 1 130 LEU H 0.000 . 5.500 4.978 4.487 5.574 0.074 10 0 "[ . 1 . 2]" 1
138 1 17 THR MG 1 130 LEU H 0.000 . 5.500 5.490 5.344 5.514 0.014 9 0 "[ . 1 . 2]" 1
139 1 61 ALA HA 1 132 PHE H 0.000 . 3.800 3.240 2.764 3.761 . 0 0 "[ . 1 . 2]" 1
140 1 61 ALA MB 1 132 PHE H 0.000 . 5.500 4.488 3.904 5.067 . 0 0 "[ . 1 . 2]" 1
141 1 59 ASP HA 1 132 PHE H 0.000 . 5.500 4.899 4.468 5.277 . 0 0 "[ . 1 . 2]" 1
142 1 60 VAL QG 1 132 PHE H 0.000 . 5.500 4.353 2.675 5.196 . 0 0 "[ . 1 . 2]" 1
143 1 60 VAL HB 1 132 PHE H 0.000 . 5.500 5.050 4.222 5.501 0.001 12 0 "[ . 1 . 2]" 1
144 1 15 VAL HA 1 133 ASN H 0.000 . 5.500 4.070 3.322 4.482 . 0 0 "[ . 1 . 2]" 1
145 1 59 ASP HA 1 134 VAL H 0.000 . 3.800 3.252 2.636 3.761 . 0 0 "[ . 1 . 2]" 1
146 1 12 ALA H 1 135 GLU H 0.000 . 5.500 3.489 2.894 3.925 . 0 0 "[ . 1 . 2]" 1
147 1 13 TYR HA 1 135 GLU H 0.000 . 3.800 3.794 3.712 3.813 0.013 17 0 "[ . 1 . 2]" 1
148 1 57 LYS HA 1 136 VAL H 0.000 . 3.800 3.566 3.064 3.805 0.005 6 0 "[ . 1 . 2]" 1
149 1 11 LEU HA 1 137 VAL H 0.000 . 3.800 3.061 2.891 3.235 . 0 0 "[ . 1 . 2]" 1
150 1 11 LEU HA 1 138 ALA H 0.000 . 5.500 4.916 4.739 5.116 . 0 0 "[ . 1 . 2]" 1
151 1 9 VAL HA 1 138 ALA H 0.000 . 3.800 3.789 3.700 3.822 0.022 5 0 "[ . 1 . 2]" 1
152 1 10 SER QB 1 138 ALA H 0.000 . 5.500 3.643 3.023 4.488 . 0 0 "[ . 1 . 2]" 1
153 1 54 VAL QG 1 138 ALA H 0.000 . 5.500 3.720 2.963 4.732 . 0 0 "[ . 1 . 2]" 1
154 1 54 VAL QG 1 139 ILE H 0.000 . 5.500 3.380 2.804 4.274 . 0 0 "[ . 1 . 2]" 1
155 1 1 MET ME 1 139 ILE H 0.000 . 5.500 4.233 2.525 5.417 . 0 0 "[ . 1 . 2]" 1
156 1 8 VAL QG 1 140 ARG H 0.000 . 5.500 1.939 1.765 2.424 . 0 0 "[ . 1 . 2]" 1
157 1 7 LEU QD 1 140 ARG H 0.000 . 5.500 3.273 2.527 4.037 . 0 0 "[ . 1 . 2]" 1
158 1 1 MET ME 1 140 ARG H 0.000 . 5.500 4.696 3.958 5.466 . 0 0 "[ . 1 . 2]" 1
159 1 7 LEU QD 1 141 GLU H 0.000 . 5.500 3.136 2.503 4.692 . 0 0 "[ . 1 . 2]" 1
160 1 1 MET ME 1 141 GLU H 0.000 . 5.500 4.557 3.552 5.377 . 0 0 "[ . 1 . 2]" 1
161 1 35 LEU QD 1 142 ALA H 0.000 . 3.800 3.546 2.909 3.808 0.008 17 0 "[ . 1 . 2]" 1
162 1 7 LEU QD 1 142 ALA H 0.000 . 5.500 3.978 3.230 5.066 . 0 0 "[ . 1 . 2]" 1
163 1 35 LEU QD 1 147 LEU H 0.000 . 5.500 3.875 3.429 4.188 . 0 0 "[ . 1 . 2]" 1
164 1 35 LEU QD 1 149 HIS H 0.000 . 5.500 5.165 4.936 5.332 . 0 0 "[ . 1 . 2]" 1
165 1 35 LEU QD 1 150 GLY H 0.000 . 3.800 3.704 3.499 3.813 0.013 15 0 "[ . 1 . 2]" 1
166 1 35 LEU QD 1 151 HIS H 0.000 . 3.800 3.353 2.639 3.810 0.010 14 0 "[ . 1 . 2]" 1
167 1 35 LEU QD 1 152 VAL H 0.000 . 5.500 4.456 2.739 5.459 . 0 0 "[ . 1 . 2]" 1
168 1 2 LYS H 1 3 VAL H 0.000 . 5.500 4.474 4.394 4.613 . 0 0 "[ . 1 . 2]" 1
169 1 1 MET HA 1 2 LYS H 0.000 . 5.500 2.453 2.210 3.035 . 0 0 "[ . 1 . 2]" 1
170 1 1 MET QB 1 2 LYS H 0.000 . 5.500 3.164 2.023 3.907 . 0 0 "[ . 1 . 2]" 1
171 1 1 MET QG 1 2 LYS H 0.000 . 5.500 2.418 1.785 3.497 . 0 0 "[ . 1 . 2]" 1
172 1 1 MET ME 1 2 LYS H 0.000 . 5.500 4.004 2.005 5.379 . 0 0 "[ . 1 . 2]" 1
173 1 3 VAL H 1 4 ALA H 0.000 . 5.500 4.651 4.574 4.703 . 0 0 "[ . 1 . 2]" 1
174 1 2 LYS HA 1 3 VAL H 0.000 . 3.800 2.452 2.251 2.650 . 0 0 "[ . 1 . 2]" 1
175 1 2 LYS QB 1 3 VAL H 0.000 . 5.500 2.752 2.162 3.427 . 0 0 "[ . 1 . 2]" 1
176 1 2 LYS QG 1 3 VAL H 0.000 . 5.500 3.317 2.140 4.574 . 0 0 "[ . 1 . 2]" 1
177 1 2 LYS QD 1 3 VAL H 0.000 . 5.500 3.974 3.248 4.650 . 0 0 "[ . 1 . 2]" 1
178 1 4 ALA H 1 5 LYS H 0.000 . 5.500 4.432 4.388 4.582 . 0 0 "[ . 1 . 2]" 1
179 1 4 ALA H 1 7 LEU H 0.000 . 5.500 4.558 3.696 5.190 . 0 0 "[ . 1 . 2]" 1
180 1 4 ALA H 1 7 LEU HA 0.000 . 5.500 5.349 4.893 5.578 0.078 19 0 "[ . 1 . 2]" 1
181 1 4 ALA H 1 7 LEU HG 0.000 . 5.500 4.402 2.174 5.513 0.013 3 0 "[ . 1 . 2]" 1
182 1 4 ALA H 1 7 LEU QB 0.000 . 5.500 2.522 2.072 3.822 . 0 0 "[ . 1 . 2]" 1
183 1 4 ALA H 1 7 LEU QD 0.000 . 3.800 2.910 1.658 3.775 . 0 0 "[ . 1 . 2]" 1
184 1 3 VAL HA 1 4 ALA H 0.000 . 2.800 2.277 2.205 2.353 . 0 0 "[ . 1 . 2]" 1
185 1 3 VAL HB 1 4 ALA H 0.000 . 5.500 4.348 4.203 4.532 . 0 0 "[ . 1 . 2]" 1
186 1 3 VAL QG 1 4 ALA H 0.000 . 3.800 2.485 2.183 2.845 . 0 0 "[ . 1 . 2]" 1
187 1 5 LYS H 1 6 ASP H 0.000 . 5.500 3.911 2.417 4.693 . 0 0 "[ . 1 . 2]" 1
188 1 4 ALA HA 1 5 LYS H 0.000 . 2.800 2.511 2.251 2.685 . 0 0 "[ . 1 . 2]" 1
189 1 4 ALA MB 1 5 LYS H 0.000 . 3.800 2.563 2.260 3.105 . 0 0 "[ . 1 . 2]" 1
190 1 6 ASP H 1 7 LEU H 0.000 . 3.800 2.879 1.695 3.795 . 0 0 "[ . 1 . 2]" 1
191 1 5 LYS HA 1 6 ASP H 0.000 . 3.800 2.875 2.297 3.580 . 0 0 "[ . 1 . 2]" 1
192 1 5 LYS QB 1 6 ASP H 0.000 . 5.500 2.960 1.827 4.028 . 0 0 "[ . 1 . 2]" 1
193 1 5 LYS QG 1 6 ASP H 0.000 . 5.500 3.173 1.774 4.424 . 0 0 "[ . 1 . 2]" 1
194 1 5 LYS QD 1 6 ASP H 0.000 . 5.500 4.218 3.262 5.422 . 0 0 "[ . 1 . 2]" 1
195 1 7 LEU H 1 8 VAL H 0.000 . 5.500 4.063 3.691 4.433 . 0 0 "[ . 1 . 2]" 1
196 1 6 ASP HA 1 7 LEU H 0.000 . 5.500 2.903 2.566 3.196 . 0 0 "[ . 1 . 2]" 1
197 1 6 ASP QB 1 7 LEU H 0.000 . 5.500 3.882 3.610 4.069 . 0 0 "[ . 1 . 2]" 1
198 1 5 LYS HA 1 7 LEU H 0.000 . 5.500 3.752 3.198 4.265 . 0 0 "[ . 1 . 2]" 1
199 1 7 LEU HA 1 8 VAL H 0.000 . 5.500 2.247 2.214 2.305 . 0 0 "[ . 1 . 2]" 1
200 1 8 VAL HA 1 9 VAL H 0.000 . 5.500 2.227 2.210 2.254 . 0 0 "[ . 1 . 2]" 1
201 1 8 VAL HB 1 9 VAL H 0.000 . 5.500 3.846 3.212 4.480 . 0 0 "[ . 1 . 2]" 1
202 1 8 VAL QG 1 9 VAL H 0.000 . 5.500 3.126 2.373 3.600 . 0 0 "[ . 1 . 2]" 1
203 1 10 SER H 1 11 LEU H 0.000 . 5.500 4.376 4.287 4.543 . 0 0 "[ . 1 . 2]" 1
204 1 9 VAL HA 1 10 SER H 0.000 . 5.500 2.215 2.202 2.237 . 0 0 "[ . 1 . 2]" 1
205 1 11 LEU H 1 12 ALA H 0.000 . 5.500 4.231 4.001 4.438 . 0 0 "[ . 1 . 2]" 1
206 1 10 SER HA 1 11 LEU H 0.000 . 3.800 2.238 2.218 2.254 . 0 0 "[ . 1 . 2]" 1
207 1 11 LEU HA 1 12 ALA H 0.000 . 2.800 2.223 2.208 2.279 . 0 0 "[ . 1 . 2]" 1
208 1 11 LEU QB 1 12 ALA H 0.000 . 5.500 3.482 2.993 3.960 . 0 0 "[ . 1 . 2]" 1
209 1 12 ALA HA 1 13 TYR H 0.000 . 3.800 2.343 2.260 2.482 . 0 0 "[ . 1 . 2]" 1
210 1 12 ALA MB 1 13 TYR H 0.000 . 5.500 2.900 2.615 3.155 . 0 0 "[ . 1 . 2]" 1
211 1 13 TYR HA 1 14 GLN H 0.000 . 2.800 2.278 2.235 2.399 . 0 0 "[ . 1 . 2]" 1
212 1 13 TYR QB 1 14 GLN H 0.000 . 5.500 3.007 2.649 3.180 . 0 0 "[ . 1 . 2]" 1
213 1 14 GLN HA 1 15 VAL H 0.000 . 3.800 2.268 2.217 2.443 . 0 0 "[ . 1 . 2]" 1
214 1 15 VAL H 1 16 ARG H 0.000 . 5.500 4.441 3.995 4.561 . 0 0 "[ . 1 . 2]" 1
215 1 16 ARG H 1 17 THR H 0.000 . 5.500 4.356 4.240 4.557 . 0 0 "[ . 1 . 2]" 1
216 1 15 VAL HA 1 16 ARG H 0.000 . 3.800 2.264 2.205 2.321 . 0 0 "[ . 1 . 2]" 1
217 1 15 VAL QG 1 16 ARG H 0.000 . 5.500 2.514 1.890 3.314 . 0 0 "[ . 1 . 2]" 1
218 1 17 THR H 1 18 GLU H 0.000 . 5.500 4.627 4.586 4.669 . 0 0 "[ . 1 . 2]" 1
219 1 16 ARG HA 1 17 THR H 0.000 . 3.800 2.254 2.240 2.303 . 0 0 "[ . 1 . 2]" 1
220 1 16 ARG QD 1 17 THR H 0.000 . 5.500 4.659 2.949 5.473 . 0 0 "[ . 1 . 2]" 1
221 1 16 ARG QB 1 17 THR H 0.000 . 5.500 3.365 2.998 3.757 . 0 0 "[ . 1 . 2]" 1
222 1 18 GLU H 1 19 ASP H 0.000 . 3.800 2.833 2.754 2.963 . 0 0 "[ . 1 . 2]" 1
223 1 17 THR HA 1 18 GLU H 0.000 . 5.500 2.318 2.312 2.325 . 0 0 "[ . 1 . 2]" 1
224 1 17 THR HB 1 18 GLU H 0.000 . 5.500 2.922 2.908 2.954 . 0 0 "[ . 1 . 2]" 1
225 1 17 THR MG 1 18 GLU H 0.000 . 3.800 3.742 3.494 3.817 0.017 4 0 "[ . 1 . 2]" 1
226 1 18 GLU H 1 19 ASP QB 0.000 . 5.500 4.523 4.327 4.851 . 0 0 "[ . 1 . 2]" 1
227 1 19 ASP H 1 20 GLY H 0.000 . 3.800 2.704 2.637 2.768 . 0 0 "[ . 1 . 2]" 1
228 1 19 ASP H 1 21 VAL H 0.000 . 5.500 3.808 3.497 4.126 . 0 0 "[ . 1 . 2]" 1
229 1 18 GLU HA 1 19 ASP H 0.000 . 3.800 3.504 3.442 3.556 . 0 0 "[ . 1 . 2]" 1
230 1 19 ASP H 1 20 GLY QA 0.000 . 5.500 4.623 4.568 4.669 . 0 0 "[ . 1 . 2]" 1
231 1 18 GLU QB 1 19 ASP H 0.000 . 5.500 2.923 2.568 3.570 . 0 0 "[ . 1 . 2]" 1
232 1 18 GLU QG 1 19 ASP H 0.000 . 5.500 4.078 1.864 4.682 . 0 0 "[ . 1 . 2]" 1
233 1 17 THR MG 1 19 ASP H 0.000 . 5.500 4.242 4.047 4.442 . 0 0 "[ . 1 . 2]" 1
234 1 17 THR HA 1 19 ASP H 0.000 . 5.500 3.995 3.858 4.201 . 0 0 "[ . 1 . 2]" 1
235 1 20 GLY H 1 21 VAL H 0.000 . 2.800 2.354 2.175 2.574 . 0 0 "[ . 1 . 2]" 1
236 1 19 ASP HA 1 20 GLY H 0.000 . 5.500 3.351 3.195 3.431 . 0 0 "[ . 1 . 2]" 1
237 1 19 ASP QB 1 20 GLY H 0.000 . 5.500 3.278 3.047 3.748 . 0 0 "[ . 1 . 2]" 1
238 1 21 VAL H 1 22 LEU H 0.000 . 5.500 4.507 4.362 4.524 . 0 0 "[ . 1 . 2]" 1
239 1 19 ASP HA 1 21 VAL H 0.000 . 5.500 4.857 4.655 5.178 . 0 0 "[ . 1 . 2]" 1
240 1 19 ASP QB 1 21 VAL H 0.000 . 5.500 3.286 2.854 4.253 . 0 0 "[ . 1 . 2]" 1
241 1 20 GLY QA 1 21 VAL H 0.000 . 3.800 2.817 2.750 2.867 . 0 0 "[ . 1 . 2]" 1
242 1 22 LEU H 1 23 VAL H 0.000 . 5.500 4.422 4.280 4.663 . 0 0 "[ . 1 . 2]" 1
243 1 21 VAL HA 1 22 LEU H 0.000 . 2.800 2.303 2.212 2.323 . 0 0 "[ . 1 . 2]" 1
244 1 21 VAL HB 1 22 LEU H 0.000 . 5.500 3.845 2.940 4.392 . 0 0 "[ . 1 . 2]" 1
245 1 23 VAL H 1 24 ASP H 0.000 . 2.800 2.457 1.885 2.735 . 0 0 "[ . 1 . 2]" 1
246 1 22 LEU HA 1 23 VAL H 0.000 . 5.500 2.225 2.210 2.379 . 0 0 "[ . 1 . 2]" 1
247 1 24 ASP H 1 25 GLU H 0.000 . 5.500 4.335 4.263 4.447 . 0 0 "[ . 1 . 2]" 1
248 1 23 VAL HA 1 24 ASP H 0.000 . 5.500 3.552 3.482 3.593 . 0 0 "[ . 1 . 2]" 1
249 1 23 VAL HB 1 24 ASP H 0.000 . 5.500 2.639 2.154 3.910 . 0 0 "[ . 1 . 2]" 1
250 1 23 VAL QG 1 24 ASP H 0.000 . 5.500 3.098 1.966 3.356 . 0 0 "[ . 1 . 2]" 1
251 1 22 LEU HA 1 24 ASP H 0.000 . 5.500 3.955 3.534 4.383 . 0 0 "[ . 1 . 2]" 1
252 1 22 LEU QB 1 24 ASP H 0.000 . 5.500 3.976 3.146 5.049 . 0 0 "[ . 1 . 2]" 1
253 1 22 LEU QD 1 24 ASP H 0.000 . 5.500 3.510 1.829 5.158 . 0 0 "[ . 1 . 2]" 1
254 1 25 GLU H 1 26 SER H 0.000 . 5.500 4.290 4.055 4.450 . 0 0 "[ . 1 . 2]" 1
255 1 24 ASP HA 1 25 GLU H 0.000 . 3.800 2.332 2.308 2.438 . 0 0 "[ . 1 . 2]" 1
256 1 24 ASP QB 1 25 GLU H 0.000 . 3.800 3.254 2.855 3.589 . 0 0 "[ . 1 . 2]" 1
257 1 25 GLU HA 1 26 SER H 0.000 . 3.800 2.292 2.212 2.619 . 0 0 "[ . 1 . 2]" 1
258 1 25 GLU QB 1 26 SER H 0.000 . 5.500 3.173 2.211 3.864 . 0 0 "[ . 1 . 2]" 1
259 1 25 GLU QG 1 26 SER H 0.000 . 5.500 3.729 2.606 4.322 . 0 0 "[ . 1 . 2]" 1
260 1 28 VAL H 1 29 SER H 0.000 . 3.800 2.628 2.551 2.804 . 0 0 "[ . 1 . 2]" 1
261 1 28 VAL H 1 30 ALA H 0.000 . 5.500 4.113 3.867 4.305 . 0 0 "[ . 1 . 2]" 1
262 1 27 PRO QB 1 28 VAL H 0.000 . 5.500 2.936 2.314 3.474 . 0 0 "[ . 1 . 2]" 1
263 1 27 PRO QG 1 28 VAL H 0.000 . 5.500 4.424 3.966 4.737 . 0 0 "[ . 1 . 2]" 1
264 1 29 SER H 1 30 ALA H 0.000 . 3.800 2.515 2.399 2.648 . 0 0 "[ . 1 . 2]" 1
265 1 28 VAL HA 1 29 SER H 0.000 . 5.500 3.494 3.414 3.562 . 0 0 "[ . 1 . 2]" 1
266 1 28 VAL HB 1 29 SER H 0.000 . 5.500 3.549 2.622 4.172 . 0 0 "[ . 1 . 2]" 1
267 1 28 VAL QG 1 29 SER H 0.000 . 5.500 2.588 1.839 3.526 . 0 0 "[ . 1 . 2]" 1
268 1 29 SER HA 1 30 ALA H 0.000 . 5.500 3.364 3.188 3.459 . 0 0 "[ . 1 . 2]" 1
269 1 29 SER QB 1 30 ALA H 0.000 . 5.500 3.452 3.002 3.829 . 0 0 "[ . 1 . 2]" 1
270 1 32 LEU H 1 33 ASP H 0.000 . 5.500 4.287 4.047 4.598 . 0 0 "[ . 1 . 2]" 1
271 1 31 PRO QB 1 32 LEU H 0.000 . 3.800 2.894 2.673 3.368 . 0 0 "[ . 1 . 2]" 1
272 1 31 PRO QG 1 32 LEU H 0.000 . 5.500 4.409 4.259 4.694 . 0 0 "[ . 1 . 2]" 1
273 1 33 ASP H 1 34 TYR H 0.000 . 5.500 4.467 4.283 4.634 . 0 0 "[ . 1 . 2]" 1
274 1 32 LEU HA 1 33 ASP H 0.000 . 2.800 2.277 2.212 2.345 . 0 0 "[ . 1 . 2]" 1
275 1 32 LEU QB 1 33 ASP H 0.000 . 5.500 3.863 3.092 3.991 . 0 0 "[ . 1 . 2]" 1
276 1 32 LEU HG 1 33 ASP H 0.000 . 5.500 4.224 3.137 5.502 0.002 13 0 "[ . 1 . 2]" 1
277 1 32 LEU QD 1 33 ASP H 0.000 . 3.800 3.412 2.521 3.804 0.004 7 0 "[ . 1 . 2]" 1
278 1 34 TYR H 1 35 LEU H 0.000 . 5.500 4.437 4.402 4.517 . 0 0 "[ . 1 . 2]" 1
279 1 33 ASP HA 1 34 TYR H 0.000 . 2.800 2.232 2.210 2.327 . 0 0 "[ . 1 . 2]" 1
280 1 33 ASP QB 1 34 TYR H 0.000 . 5.500 3.570 2.866 4.008 . 0 0 "[ . 1 . 2]" 1
281 1 35 LEU H 1 36 HIS H 0.000 . 5.500 4.502 4.130 4.684 . 0 0 "[ . 1 . 2]" 1
282 1 34 TYR HA 1 35 LEU H 0.000 . 3.800 2.444 2.297 2.473 . 0 0 "[ . 1 . 2]" 1
283 1 34 TYR QB 1 35 LEU H 0.000 . 5.500 2.667 2.488 3.162 . 0 0 "[ . 1 . 2]" 1
284 1 34 TYR QR 1 35 LEU H 0.000 . 5.500 2.933 1.863 4.119 . 0 0 "[ . 1 . 2]" 1
285 1 35 LEU HA 1 36 HIS H 0.000 . 3.800 2.297 2.212 2.473 . 0 0 "[ . 1 . 2]" 1
286 1 35 LEU HG 1 36 HIS H 0.000 . 5.500 3.410 2.347 4.174 . 0 0 "[ . 1 . 2]" 1
287 1 35 LEU QB 1 36 HIS H 0.000 . 5.500 3.540 2.524 4.050 . 0 0 "[ . 1 . 2]" 1
288 1 35 LEU QD 1 36 HIS H 0.000 . 3.800 3.277 2.598 3.754 . 0 0 "[ . 1 . 2]" 1
289 1 36 HIS HA 1 37 GLY H 0.000 . 3.800 2.268 2.211 2.307 . 0 0 "[ . 1 . 2]" 1
290 1 36 HIS QB 1 37 GLY H 0.000 . 5.500 3.663 3.124 3.952 . 0 0 "[ . 1 . 2]" 1
291 1 38 HIS H 1 39 GLY H 0.000 . 3.800 3.769 3.718 4.064 0.264 11 0 "[ . 1 . 2]" 1
292 1 38 HIS H 1 40 SER H 0.000 . 5.500 4.803 2.800 5.509 0.009 2 0 "[ . 1 . 2]" 1
293 1 37 GLY QA 1 38 HIS H 0.000 . 5.500 2.728 2.346 2.933 . 0 0 "[ . 1 . 2]" 1
294 1 39 GLY H 1 40 SER H 0.000 . 2.800 2.458 1.856 2.833 0.033 6 0 "[ . 1 . 2]" 1
295 1 39 GLY H 1 41 LEU H 0.000 . 5.500 4.589 2.878 5.517 0.017 16 0 "[ . 1 . 2]" 1
296 1 38 HIS HA 1 39 GLY H 0.000 . 5.500 2.391 2.315 2.902 . 0 0 "[ . 1 . 2]" 1
297 1 38 HIS QB 1 39 GLY H 0.000 . 5.500 3.785 1.797 4.058 . 0 0 "[ . 1 . 2]" 1
298 1 40 SER H 1 41 LEU H 0.000 . 2.800 2.530 1.862 2.810 0.010 16 0 "[ . 1 . 2]" 1
299 1 39 GLY QA 1 40 SER H 0.000 . 3.800 2.633 2.420 2.915 . 0 0 "[ . 1 . 2]" 1
300 1 40 SER HA 1 41 LEU H 0.000 . 5.500 3.319 2.652 3.589 . 0 0 "[ . 1 . 2]" 1
301 1 40 SER QB 1 41 LEU H 0.000 . 5.500 2.960 1.889 4.051 . 0 0 "[ . 1 . 2]" 1
302 1 39 GLY QA 1 41 LEU H 0.000 . 5.500 4.171 3.110 5.046 . 0 0 "[ . 1 . 2]" 1
303 1 42 ILE H 1 43 SER H 0.000 . 5.500 4.514 4.271 4.708 . 0 0 "[ . 1 . 2]" 1
304 1 41 LEU HA 1 42 ILE H 0.000 . 3.800 2.984 2.208 3.582 . 0 0 "[ . 1 . 2]" 1
305 1 41 LEU QB 1 42 ILE H 0.000 . 5.500 2.259 1.762 3.552 . 0 0 "[ . 1 . 2]" 1
306 1 41 LEU HG 1 42 ILE H 0.000 . 5.500 3.819 1.876 4.860 . 0 0 "[ . 1 . 2]" 1
307 1 41 LEU QD 1 42 ILE H 0.000 . 5.500 3.242 2.310 4.063 . 0 0 "[ . 1 . 2]" 1
308 1 42 ILE H 1 45 LEU QD 0.000 . 3.800 3.394 2.091 3.804 0.004 10 0 "[ . 1 . 2]" 1
309 1 43 SER H 1 44 GLY H 0.000 . 5.500 2.715 2.557 2.953 . 0 0 "[ . 1 . 2]" 1
310 1 42 ILE HB 1 43 SER H 0.000 . 5.500 3.480 2.654 4.397 . 0 0 "[ . 1 . 2]" 1
311 1 42 ILE QG 1 43 SER H 0.000 . 5.500 4.249 3.744 4.708 . 0 0 "[ . 1 . 2]" 1
312 1 42 ILE MD 1 43 SER H 0.000 . 5.500 4.833 3.769 5.380 . 0 0 "[ . 1 . 2]" 1
313 1 42 ILE MG 1 43 SER H 0.000 . 5.500 2.940 1.845 3.984 . 0 0 "[ . 1 . 2]" 1
314 1 44 GLY H 1 45 LEU H 0.000 . 3.800 2.754 2.316 2.938 . 0 0 "[ . 1 . 2]" 1
315 1 44 GLY H 1 46 GLU H 0.000 . 5.500 4.091 3.548 4.818 . 0 0 "[ . 1 . 2]" 1
316 1 43 SER QB 1 44 GLY H 0.000 . 5.500 2.907 2.457 3.559 . 0 0 "[ . 1 . 2]" 1
317 1 43 SER HA 1 44 GLY H 0.000 . 5.500 3.555 3.494 3.585 . 0 0 "[ . 1 . 2]" 1
318 1 42 ILE HA 1 44 GLY H 0.000 . 5.500 4.203 3.764 4.477 . 0 0 "[ . 1 . 2]" 1
319 1 42 ILE QG 1 44 GLY H 0.000 . 5.500 4.535 3.407 5.415 . 0 0 "[ . 1 . 2]" 1
320 1 42 ILE MD 1 44 GLY H 0.000 . 5.500 4.446 3.538 5.263 . 0 0 "[ . 1 . 2]" 1
321 1 42 ILE MG 1 44 GLY H 0.000 . 5.500 3.290 1.814 4.682 . 0 0 "[ . 1 . 2]" 1
322 1 45 LEU H 1 46 GLU H 0.000 . 3.800 2.485 2.347 2.746 . 0 0 "[ . 1 . 2]" 1
323 1 44 GLY QA 1 45 LEU H 0.000 . 5.500 2.734 2.642 2.822 . 0 0 "[ . 1 . 2]" 1
324 1 42 ILE HB 1 45 LEU H 0.000 . 5.500 2.813 2.122 3.775 . 0 0 "[ . 1 . 2]" 1
325 1 42 ILE QG 1 45 LEU H 0.000 . 5.500 3.432 1.865 4.697 . 0 0 "[ . 1 . 2]" 1
326 1 42 ILE MG 1 45 LEU H 0.000 . 5.500 3.667 1.752 4.764 . 0 0 "[ . 1 . 2]" 1
327 1 42 ILE MD 1 45 LEU H 0.000 . 5.500 3.602 2.205 4.949 . 0 0 "[ . 1 . 2]" 1
328 1 43 SER HA 1 45 LEU H 0.000 . 5.500 4.046 3.675 4.521 . 0 0 "[ . 1 . 2]" 1
329 1 46 GLU H 1 47 THR H 0.000 . 3.800 2.901 2.655 3.107 . 0 0 "[ . 1 . 2]" 1
330 1 45 LEU HA 1 46 GLU H 0.000 . 5.500 3.542 3.412 3.592 . 0 0 "[ . 1 . 2]" 1
331 1 45 LEU QB 1 46 GLU H 0.000 . 5.500 2.690 2.029 3.531 . 0 0 "[ . 1 . 2]" 1
332 1 45 LEU QD 1 46 GLU H 0.000 . 5.500 3.605 2.719 4.138 . 0 0 "[ . 1 . 2]" 1
333 1 42 ILE HA 1 46 GLU H 0.000 . 5.500 5.156 4.544 5.502 0.002 15 0 "[ . 1 . 2]" 1
334 1 42 ILE HB 1 46 GLU H 0.000 . 5.500 4.308 3.310 5.506 0.006 9 0 "[ . 1 . 2]" 1
335 1 42 ILE QG 1 46 GLU H 0.000 . 5.500 4.444 3.261 5.407 . 0 0 "[ . 1 . 2]" 1
336 1 42 ILE MD 1 46 GLU H 0.000 . 5.500 5.194 4.486 5.509 0.009 17 0 "[ . 1 . 2]" 1
337 1 43 SER HA 1 46 GLU H 0.000 . 5.500 3.268 2.844 4.011 . 0 0 "[ . 1 . 2]" 1
338 1 47 THR H 1 48 ALA H 0.000 . 3.800 2.785 2.490 2.979 . 0 0 "[ . 1 . 2]" 1
339 1 47 THR H 1 49 LEU H 0.000 . 5.500 4.077 3.821 4.289 . 0 0 "[ . 1 . 2]" 1
340 1 46 GLU HA 1 47 THR H 0.000 . 5.500 3.574 3.535 3.593 . 0 0 "[ . 1 . 2]" 1
341 1 46 GLU QB 1 47 THR H 0.000 . 5.500 2.467 2.214 2.792 . 0 0 "[ . 1 . 2]" 1
342 1 46 GLU QG 1 47 THR H 0.000 . 5.500 4.166 3.450 4.469 . 0 0 "[ . 1 . 2]" 1
343 1 48 ALA H 1 49 LEU H 0.000 . 2.800 2.546 2.369 2.795 . 0 0 "[ . 1 . 2]" 1
344 1 48 ALA H 1 50 GLU H 0.000 . 5.500 4.271 3.977 4.718 . 0 0 "[ . 1 . 2]" 1
345 1 47 THR HA 1 48 ALA H 0.000 . 5.500 3.552 3.478 3.593 . 0 0 "[ . 1 . 2]" 1
346 1 47 THR HB 1 48 ALA H 0.000 . 5.500 3.279 2.307 3.929 . 0 0 "[ . 1 . 2]" 1
347 1 47 THR MG 1 48 ALA H 0.000 . 5.500 3.393 1.771 4.204 . 0 0 "[ . 1 . 2]" 1
348 1 49 LEU H 1 50 GLU H 0.000 . 2.800 2.562 2.298 2.806 0.006 11 0 "[ . 1 . 2]" 1
349 1 48 ALA HA 1 49 LEU H 0.000 . 5.500 3.509 3.496 3.565 . 0 0 "[ . 1 . 2]" 1
350 1 46 GLU HA 1 49 LEU H 0.000 . 5.500 3.380 3.052 3.817 . 0 0 "[ . 1 . 2]" 1
351 1 50 GLU H 1 51 GLY H 0.000 . 5.500 4.602 4.450 4.675 . 0 0 "[ . 1 . 2]" 1
352 1 46 GLU HA 1 50 GLU H 0.000 . 5.500 4.391 3.113 4.991 . 0 0 "[ . 1 . 2]" 1
353 1 47 THR HA 1 50 GLU H 0.000 . 5.500 3.644 3.235 4.157 . 0 0 "[ . 1 . 2]" 1
354 1 49 LEU HA 1 50 GLU H 0.000 . 5.500 3.553 3.498 3.592 . 0 0 "[ . 1 . 2]" 1
355 1 49 LEU QB 1 50 GLU H 0.000 . 5.500 2.655 2.257 2.915 . 0 0 "[ . 1 . 2]" 1
356 1 49 LEU QD 1 50 GLU H 0.000 . 5.500 3.899 3.430 4.172 . 0 0 "[ . 1 . 2]" 1
357 1 48 ALA HA 1 50 GLU H 0.000 . 5.500 4.451 4.054 4.986 . 0 0 "[ . 1 . 2]" 1
358 1 48 ALA MB 1 50 GLU H 0.000 . 5.500 4.653 4.339 4.976 . 0 0 "[ . 1 . 2]" 1
359 1 51 GLY H 1 52 HIS H 0.000 . 3.800 3.077 2.413 3.804 0.004 5 0 "[ . 1 . 2]" 1
360 1 50 GLU HA 1 51 GLY H 0.000 . 2.800 2.226 2.210 2.272 . 0 0 "[ . 1 . 2]" 1
361 1 50 GLU QB 1 51 GLY H 0.000 . 3.800 3.729 3.449 3.807 0.007 7 0 "[ . 1 . 2]" 1
362 1 50 GLU QG 1 51 GLY H 0.000 . 3.800 2.825 2.428 3.649 . 0 0 "[ . 1 . 2]" 1
363 1 49 LEU QD 1 51 GLY H 0.000 . 5.500 5.217 4.297 5.505 0.005 16 0 "[ . 1 . 2]" 1
364 1 52 HIS H 1 53 GLU H 0.000 . 3.800 3.060 1.854 3.813 0.013 19 0 "[ . 1 . 2]" 1
365 1 51 GLY QA 1 52 HIS H 0.000 . 5.500 2.488 2.169 2.853 . 0 0 "[ . 1 . 2]" 1
366 1 53 GLU H 1 54 VAL H 0.000 . 5.500 4.201 3.562 4.679 . 0 0 "[ . 1 . 2]" 1
367 1 52 HIS HA 1 53 GLU H 0.000 . 3.800 3.140 2.216 3.576 . 0 0 "[ . 1 . 2]" 1
368 1 52 HIS QB 1 53 GLU H 0.000 . 5.500 2.710 1.791 3.934 . 0 0 "[ . 1 . 2]" 1
369 1 54 VAL H 1 55 GLY H 0.000 . 5.500 4.492 4.458 4.546 . 0 0 "[ . 1 . 2]" 1
370 1 53 GLU HA 1 54 VAL H 0.000 . 3.800 2.296 2.211 2.737 . 0 0 "[ . 1 . 2]" 1
371 1 53 GLU QB 1 54 VAL H 0.000 . 5.500 3.446 2.181 3.976 . 0 0 "[ . 1 . 2]" 1
372 1 55 GLY H 1 56 ASP H 0.000 . 3.800 2.254 2.127 2.499 . 0 0 "[ . 1 . 2]" 1
373 1 54 VAL HA 1 55 GLY H 0.000 . 3.800 2.162 2.154 2.166 . 0 0 "[ . 1 . 2]" 1
374 1 54 VAL HB 1 55 GLY H 0.000 . 5.500 4.161 3.529 4.475 . 0 0 "[ . 1 . 2]" 1
375 1 54 VAL QG 1 55 GLY H 0.000 . 5.500 3.017 2.631 3.649 . 0 0 "[ . 1 . 2]" 1
376 1 55 GLY QA 1 56 ASP H 0.000 . 3.800 2.930 2.903 2.935 . 0 0 "[ . 1 . 2]" 1
377 1 54 VAL HA 1 56 ASP H 0.000 . 5.500 3.457 3.377 3.514 . 0 0 "[ . 1 . 2]" 1
378 1 54 VAL HB 1 56 ASP H 0.000 . 5.500 5.390 5.092 5.523 0.023 13 0 "[ . 1 . 2]" 1
379 1 54 VAL QG 1 56 ASP H 0.000 . 5.500 4.240 3.942 4.471 . 0 0 "[ . 1 . 2]" 1
380 1 57 LYS H 1 58 PHE H 0.000 . 5.500 4.459 4.126 4.621 . 0 0 "[ . 1 . 2]" 1
381 1 56 ASP HA 1 57 LYS H 0.000 . 3.800 2.357 2.215 2.706 . 0 0 "[ . 1 . 2]" 1
382 1 56 ASP QB 1 57 LYS H 0.000 . 5.500 3.234 2.041 4.029 . 0 0 "[ . 1 . 2]" 1
383 1 57 LYS HA 1 58 PHE H 0.000 . 3.800 2.298 2.211 2.532 . 0 0 "[ . 1 . 2]" 1
384 1 57 LYS QG 1 58 PHE H 0.000 . 5.500 3.679 2.179 4.342 . 0 0 "[ . 1 . 2]" 1
385 1 59 ASP H 1 60 VAL H 0.000 . 5.500 4.462 4.248 4.625 . 0 0 "[ . 1 . 2]" 1
386 1 58 PHE QD 1 59 ASP H 0.000 . 5.500 3.111 1.954 4.136 . 0 0 "[ . 1 . 2]" 1
387 1 58 PHE HA 1 59 ASP H 0.000 . 3.800 2.399 2.212 2.881 . 0 0 "[ . 1 . 2]" 1
388 1 58 PHE QB 1 59 ASP H 0.000 . 5.500 3.009 1.870 3.825 . 0 0 "[ . 1 . 2]" 1
389 1 60 VAL H 1 61 ALA H 0.000 . 5.500 4.313 4.025 4.504 . 0 0 "[ . 1 . 2]" 1
390 1 59 ASP HA 1 60 VAL H 0.000 . 2.800 2.232 2.210 2.312 . 0 0 "[ . 1 . 2]" 1
391 1 59 ASP QB 1 60 VAL H 0.000 . 5.500 3.442 2.928 3.850 . 0 0 "[ . 1 . 2]" 1
392 1 61 ALA H 1 62 VAL H 0.000 . 5.500 4.425 4.326 4.589 . 0 0 "[ . 1 . 2]" 1
393 1 60 VAL HA 1 61 ALA H 0.000 . 3.800 2.248 2.211 2.331 . 0 0 "[ . 1 . 2]" 1
394 1 60 VAL HB 1 61 ALA H 0.000 . 5.500 4.184 3.053 4.535 . 0 0 "[ . 1 . 2]" 1
395 1 60 VAL QG 1 61 ALA H 0.000 . 5.500 2.579 2.018 3.453 . 0 0 "[ . 1 . 2]" 1
396 1 61 ALA MB 1 62 VAL H 0.000 . 3.800 3.395 3.187 3.464 . 0 0 "[ . 1 . 2]" 1
397 1 61 ALA HA 1 62 VAL H 0.000 . 2.800 2.219 2.211 2.227 . 0 0 "[ . 1 . 2]" 1
398 1 63 GLY H 1 64 ALA H 0.000 . 2.800 2.759 2.477 2.827 0.027 6 0 "[ . 1 . 2]" 1
399 1 62 VAL HB 1 63 GLY H 0.000 . 5.500 4.317 3.671 4.542 . 0 0 "[ . 1 . 2]" 1
400 1 62 VAL QG 1 63 GLY H 0.000 . 3.800 3.121 2.296 3.732 . 0 0 "[ . 1 . 2]" 1
401 1 63 GLY H 1 66 ASP QB 0.000 . 5.500 4.882 4.225 5.505 0.005 13 0 "[ . 1 . 2]" 1
402 1 64 ALA H 1 65 ASN H 0.000 . 2.800 2.422 2.259 2.648 . 0 0 "[ . 1 . 2]" 1
403 1 64 ALA H 1 66 ASP H 0.000 . 5.500 4.138 3.818 4.615 . 0 0 "[ . 1 . 2]" 1
404 1 63 GLY QA 1 64 ALA H 0.000 . 2.800 2.370 2.327 2.496 . 0 0 "[ . 1 . 2]" 1
405 1 65 ASN H 1 66 ASP H 0.000 . 3.800 2.446 2.422 2.533 . 0 0 "[ . 1 . 2]" 1
406 1 65 ASN H 1 67 ALA H 0.000 . 5.500 4.461 3.614 4.949 . 0 0 "[ . 1 . 2]" 1
407 1 64 ALA HA 1 65 ASN H 0.000 . 5.500 3.457 3.369 3.506 . 0 0 "[ . 1 . 2]" 1
408 1 64 ALA MB 1 65 ASN H 0.000 . 5.500 2.958 2.832 3.144 . 0 0 "[ . 1 . 2]" 1
409 1 63 GLY QA 1 65 ASN H 0.000 . 5.500 3.755 3.485 3.941 . 0 0 "[ . 1 . 2]" 1
410 1 66 ASP H 1 67 ALA H 0.000 . 2.800 2.491 1.771 2.812 0.012 7 0 "[ . 1 . 2]" 1
411 1 65 ASN HA 1 66 ASP H 0.000 . 3.800 3.501 3.402 3.582 . 0 0 "[ . 1 . 2]" 1
412 1 64 ALA HA 1 66 ASP H 0.000 . 5.500 4.086 3.651 4.613 . 0 0 "[ . 1 . 2]" 1
413 1 64 ALA MB 1 66 ASP H 0.000 . 5.500 4.558 4.357 4.979 . 0 0 "[ . 1 . 2]" 1
414 1 62 VAL QG 1 66 ASP H 0.000 . 5.500 3.220 2.429 4.660 . 0 0 "[ . 1 . 2]" 1
415 1 66 ASP H 1 67 ALA MB 0.000 . 5.500 3.113 2.979 3.411 . 0 0 "[ . 1 . 2]" 1
416 1 67 ALA H 1 68 TYR H 0.000 . 5.500 3.578 2.448 4.331 . 0 0 "[ . 1 . 2]" 1
417 1 67 ALA H 1 69 GLY H 0.000 . 3.800 3.581 2.381 3.825 0.025 11 0 "[ . 1 . 2]" 1
418 1 66 ASP HA 1 67 ALA H 0.000 . 5.500 2.803 2.498 3.583 . 0 0 "[ . 1 . 2]" 1
419 1 66 ASP QB 1 67 ALA H 0.000 . 5.500 3.682 2.262 3.986 . 0 0 "[ . 1 . 2]" 1
420 1 62 VAL QG 1 67 ALA H 0.000 . 5.500 3.671 1.730 5.272 . 0 0 "[ . 1 . 2]" 1
421 1 68 TYR H 1 69 GLY H 0.000 . 3.800 2.561 1.896 3.722 . 0 0 "[ . 1 . 2]" 1
422 1 67 ALA MB 1 68 TYR H 0.000 . 3.800 1.989 1.759 3.599 . 0 0 "[ . 1 . 2]" 1
423 1 69 GLY H 1 70 GLN H 0.000 . 3.800 3.143 2.235 3.813 0.013 6 0 "[ . 1 . 2]" 1
424 1 67 ALA MB 1 69 GLY H 0.000 . 3.800 3.209 2.346 3.809 0.009 8 0 "[ . 1 . 2]" 1
425 1 68 TYR HA 1 69 GLY H 0.000 . 5.500 3.244 2.684 3.592 . 0 0 "[ . 1 . 2]" 1
426 1 68 TYR QD 1 69 GLY H 0.000 . 5.500 4.243 3.714 4.778 . 0 0 "[ . 1 . 2]" 1
427 1 70 GLN H 1 71 TYR H 0.000 . 5.500 3.617 2.216 4.710 . 0 0 "[ . 1 . 2]" 1
428 1 71 TYR H 1 72 ASP H 0.000 . 5.500 4.590 4.488 4.680 . 0 0 "[ . 1 . 2]" 1
429 1 70 GLN HA 1 71 TYR H 0.000 . 5.500 2.712 2.202 3.579 . 0 0 "[ . 1 . 2]" 1
430 1 70 GLN QB 1 71 TYR H 0.000 . 5.500 3.187 1.769 4.036 . 0 0 "[ . 1 . 2]" 1
431 1 70 GLN QG 1 71 TYR H 0.000 . 5.500 3.896 1.885 4.908 . 0 0 "[ . 1 . 2]" 1
432 1 72 ASP H 1 73 GLU H 0.000 . 5.500 4.028 3.291 4.633 . 0 0 "[ . 1 . 2]" 1
433 1 71 TYR HA 1 72 ASP H 0.000 . 3.800 2.229 2.179 2.278 . 0 0 "[ . 1 . 2]" 1
434 1 71 TYR QD 1 72 ASP H 0.000 . 5.500 3.567 1.956 4.331 . 0 0 "[ . 1 . 2]" 1
435 1 71 TYR QB 1 72 ASP H 0.000 . 5.500 3.503 2.981 3.838 . 0 0 "[ . 1 . 2]" 1
436 1 73 GLU H 1 74 ASN H 0.000 . 3.800 2.666 2.558 2.796 . 0 0 "[ . 1 . 2]" 1
437 1 72 ASP HA 1 73 GLU H 0.000 . 3.800 2.359 2.204 2.546 . 0 0 "[ . 1 . 2]" 1
438 1 72 ASP QB 1 73 GLU H 0.000 . 5.500 3.767 3.254 4.060 . 0 0 "[ . 1 . 2]" 1
439 1 74 ASN H 1 75 LEU H 0.000 . 2.800 2.649 2.452 2.812 0.012 9 0 "[ . 1 . 2]" 1
440 1 74 ASN H 1 76 VAL H 0.000 . 5.500 4.750 4.026 5.532 0.032 10 0 "[ . 1 . 2]" 1
441 1 73 GLU HA 1 74 ASN H 0.000 . 3.800 3.444 3.377 3.545 . 0 0 "[ . 1 . 2]" 1
442 1 73 GLU QB 1 74 ASN H 0.000 . 5.500 3.014 2.609 3.217 . 0 0 "[ . 1 . 2]" 1
443 1 73 GLU QG 1 74 ASN H 0.000 . 5.500 4.291 3.796 4.535 . 0 0 "[ . 1 . 2]" 1
444 1 74 ASN H 1 75 LEU HA 0.000 . 5.500 5.161 4.747 5.470 . 0 0 "[ . 1 . 2]" 1
445 1 74 ASN H 1 75 LEU QB 0.000 . 5.500 4.584 3.974 5.457 . 0 0 "[ . 1 . 2]" 1
446 1 74 ASN H 1 75 LEU HG 0.000 . 5.500 5.337 3.344 6.880 1.380 15 9 "[** *.* - 1** +* 2]" 1
447 1 74 ASN H 1 75 LEU QD 0.000 . 5.500 4.407 2.845 5.328 . 0 0 "[ . 1 . 2]" 1
448 1 75 LEU H 1 76 VAL H 0.000 . 3.800 2.793 1.991 3.749 . 0 0 "[ . 1 . 2]" 1
449 1 74 ASN HA 1 75 LEU H 0.000 . 5.500 3.422 3.278 3.593 . 0 0 "[ . 1 . 2]" 1
450 1 74 ASN QB 1 75 LEU H 0.000 . 5.500 3.168 2.334 3.868 . 0 0 "[ . 1 . 2]" 1
451 1 73 GLU HA 1 75 LEU H 0.000 . 5.500 3.607 3.142 4.718 . 0 0 "[ . 1 . 2]" 1
452 1 76 VAL H 1 77 GLN H 0.000 . 5.500 4.473 4.047 4.702 . 0 0 "[ . 1 . 2]" 1
453 1 75 LEU HA 1 76 VAL H 0.000 . 3.800 3.235 2.434 3.592 . 0 0 "[ . 1 . 2]" 1
454 1 75 LEU QB 1 76 VAL H 0.000 . 5.500 3.236 1.942 4.075 . 0 0 "[ . 1 . 2]" 1
455 1 75 LEU HG 1 76 VAL H 0.000 . 5.500 3.928 1.855 5.501 0.001 6 0 "[ . 1 . 2]" 1
456 1 75 LEU QD 1 76 VAL H 0.000 . 5.500 3.449 1.868 4.465 . 0 0 "[ . 1 . 2]" 1
457 1 74 ASN HA 1 76 VAL H 0.000 . 5.500 4.350 3.065 5.616 0.116 18 0 "[ . 1 . 2]" 1
458 1 73 GLU HA 1 76 VAL H 0.000 . 5.500 4.452 3.006 5.652 0.152 13 0 "[ . 1 . 2]" 1
459 1 77 GLN H 1 78 ARG H 0.000 . 5.500 4.444 4.251 4.596 . 0 0 "[ . 1 . 2]" 1
460 1 76 VAL HA 1 77 GLN H 0.000 . 2.800 2.289 2.211 2.353 . 0 0 "[ . 1 . 2]" 1
461 1 76 VAL QG 1 77 GLN H 0.000 . 5.500 2.953 1.885 3.729 . 0 0 "[ . 1 . 2]" 1
462 1 75 LEU QD 1 77 GLN H 0.000 . 5.500 4.899 3.634 5.501 0.001 11 0 "[ . 1 . 2]" 1
463 1 78 ARG H 1 79 VAL H 0.000 . 5.500 4.397 4.181 4.599 . 0 0 "[ . 1 . 2]" 1
464 1 77 GLN HA 1 78 ARG H 0.000 . 2.800 2.347 2.213 2.520 . 0 0 "[ . 1 . 2]" 1
465 1 77 GLN QB 1 78 ARG H 0.000 . 5.500 3.180 2.406 3.804 . 0 0 "[ . 1 . 2]" 1
466 1 78 ARG HA 1 79 VAL H 0.000 . 2.800 2.221 2.210 2.250 . 0 0 "[ . 1 . 2]" 1
467 1 78 ARG QB 1 79 VAL H 0.000 . 5.500 3.432 3.177 3.660 . 0 0 "[ . 1 . 2]" 1
468 1 81 LYS H 1 82 ASP H 0.000 . 3.800 2.677 2.553 2.808 . 0 0 "[ . 1 . 2]" 1
469 1 80 PRO HA 1 81 LYS H 0.000 . 5.500 2.429 2.363 2.464 . 0 0 "[ . 1 . 2]" 1
470 1 82 ASP H 1 83 VAL H 0.000 . 2.800 2.733 2.549 2.809 0.009 20 0 "[ . 1 . 2]" 1
471 1 82 ASP H 1 84 PHE H 0.000 . 5.500 4.206 3.933 5.196 . 0 0 "[ . 1 . 2]" 1
472 1 81 LYS HA 1 82 ASP H 0.000 . 3.800 3.423 3.342 3.530 . 0 0 "[ . 1 . 2]" 1
473 1 81 LYS QB 1 82 ASP H 0.000 . 5.500 3.345 2.690 3.810 . 0 0 "[ . 1 . 2]" 1
474 1 81 LYS QG 1 82 ASP H 0.000 . 5.500 3.471 2.105 4.847 . 0 0 "[ . 1 . 2]" 1
475 1 81 LYS QD 1 82 ASP H 0.000 . 5.500 4.600 3.221 5.466 . 0 0 "[ . 1 . 2]" 1
476 1 82 ASP H 1 83 VAL HA 0.000 . 5.500 5.379 5.134 5.464 . 0 0 "[ . 1 . 2]" 1
477 1 82 ASP H 1 83 VAL HB 0.000 . 5.500 4.853 4.499 5.192 . 0 0 "[ . 1 . 2]" 1
478 1 82 ASP H 1 83 VAL QG 0.000 . 5.500 3.984 3.354 4.461 . 0 0 "[ . 1 . 2]" 1
479 1 83 VAL H 1 84 PHE H 0.000 . 3.800 2.355 2.005 2.743 . 0 0 "[ . 1 . 2]" 1
480 1 82 ASP HA 1 83 VAL H 0.000 . 5.500 3.468 3.237 3.548 . 0 0 "[ . 1 . 2]" 1
481 1 82 ASP QB 1 83 VAL H 0.000 . 5.500 2.976 2.611 3.597 . 0 0 "[ . 1 . 2]" 1
482 1 83 VAL H 1 84 PHE QD 0.000 . 5.500 3.658 2.697 4.683 . 0 0 "[ . 1 . 2]" 1
483 1 83 VAL H 1 84 PHE QE 0.000 . 5.500 5.111 4.032 5.501 0.001 14 0 "[ . 1 . 2]" 1
484 1 84 PHE H 1 85 MET H 0.000 . 3.800 3.190 2.210 3.811 0.011 1 0 "[ . 1 . 2]" 1
485 1 83 VAL HA 1 84 PHE H 0.000 . 3.800 3.333 3.097 3.562 . 0 0 "[ . 1 . 2]" 1
486 1 83 VAL HB 1 84 PHE H 0.000 . 5.500 3.512 2.053 4.537 . 0 0 "[ . 1 . 2]" 1
487 1 83 VAL QG 1 84 PHE H 0.000 . 5.500 3.338 2.330 3.719 . 0 0 "[ . 1 . 2]" 1
488 1 84 PHE HA 1 85 MET H 0.000 . 5.500 3.024 2.208 3.592 . 0 0 "[ . 1 . 2]" 1
489 1 84 PHE QB 1 85 MET H 0.000 . 5.500 3.137 1.819 4.081 . 0 0 "[ . 1 . 2]" 1
490 1 86 GLY H 1 87 VAL H 0.000 . 5.500 3.297 1.862 4.567 . 0 0 "[ . 1 . 2]" 1
491 1 85 MET HA 1 86 GLY H 0.000 . 5.500 2.825 2.210 3.593 . 0 0 "[ . 1 . 2]" 1
492 1 85 MET QB 1 86 GLY H 0.000 . 5.500 3.389 2.001 4.053 . 0 0 "[ . 1 . 2]" 1
493 1 87 VAL H 1 88 ASP H 0.000 . 3.800 3.321 1.890 3.811 0.011 9 0 "[ . 1 . 2]" 1
494 1 86 GLY QA 1 87 VAL H 0.000 . 3.800 2.422 2.163 2.927 . 0 0 "[ . 1 . 2]" 1
495 1 88 ASP H 1 89 GLU H 0.000 . 2.800 2.600 2.113 2.805 0.005 17 0 "[ . 1 . 2]" 1
496 1 87 VAL HA 1 88 ASP H 0.000 . 3.800 2.890 2.217 3.593 . 0 0 "[ . 1 . 2]" 1
497 1 87 VAL HB 1 88 ASP H 0.000 . 5.500 3.929 1.877 4.675 . 0 0 "[ . 1 . 2]" 1
498 1 87 VAL QG 1 88 ASP H 0.000 . 5.500 2.783 1.578 3.735 . 0 0 "[ . 1 . 2]" 1
499 1 89 GLU H 1 90 LEU H 0.000 . 3.800 3.468 2.133 3.809 0.009 10 0 "[ . 1 . 2]" 1
500 1 88 ASP HA 1 89 GLU H 0.000 . 3.800 3.338 3.008 3.590 . 0 0 "[ . 1 . 2]" 1
501 1 88 ASP QB 1 89 GLU H 0.000 . 3.800 3.263 2.398 3.799 . 0 0 "[ . 1 . 2]" 1
502 1 87 VAL HA 1 89 GLU H 0.000 . 5.500 3.659 3.032 4.722 . 0 0 "[ . 1 . 2]" 1
503 1 87 VAL HB 1 89 GLU H 0.000 . 5.500 4.150 2.655 5.219 . 0 0 "[ . 1 . 2]" 1
504 1 87 VAL QG 1 89 GLU H 0.000 . 5.500 2.908 1.665 4.683 . 0 0 "[ . 1 . 2]" 1
505 1 89 GLU H 1 94 MET ME 0.000 . 5.500 4.940 4.019 5.502 0.002 13 0 "[ . 1 . 2]" 1
506 1 90 LEU H 1 91 GLN H 0.000 . 5.500 4.167 3.010 4.613 . 0 0 "[ . 1 . 2]" 1
507 1 89 GLU HA 1 90 LEU H 0.000 . 2.800 2.340 2.209 2.843 0.043 3 0 "[ . 1 . 2]" 1
508 1 89 GLU QB 1 90 LEU H 0.000 . 3.800 3.801 3.643 3.972 0.172 15 0 "[ . 1 . 2]" 1
509 1 89 GLU QG 1 90 LEU H 0.000 . 3.800 3.695 3.327 3.865 0.065 16 0 "[ . 1 . 2]" 1
510 1 90 LEU H 1 94 MET ME 0.000 . 5.500 4.838 4.197 5.499 . 0 0 "[ . 1 . 2]" 1
511 1 91 GLN H 1 92 VAL H 0.000 . 5.500 4.451 4.212 4.606 . 0 0 "[ . 1 . 2]" 1
512 1 90 LEU HA 1 91 GLN H 0.000 . 2.800 2.275 2.206 2.602 . 0 0 "[ . 1 . 2]" 1
513 1 90 LEU QB 1 91 GLN H 0.000 . 5.500 3.728 3.263 4.006 . 0 0 "[ . 1 . 2]" 1
514 1 90 LEU HG 1 91 GLN H 0.000 . 5.500 4.286 2.519 5.503 0.003 1 0 "[ . 1 . 2]" 1
515 1 90 LEU QD 1 91 GLN H 0.000 . 3.800 3.365 2.490 3.804 0.004 8 0 "[ . 1 . 2]" 1
516 1 91 GLN H 1 94 MET ME 0.000 . 5.500 3.181 2.161 4.608 . 0 0 "[ . 1 . 2]" 1
517 1 89 GLU QB 1 91 GLN H 0.000 . 5.500 4.903 3.987 5.503 0.003 15 0 "[ . 1 . 2]" 1
518 1 91 GLN HA 1 92 VAL H 0.000 . 2.800 2.400 2.211 2.741 . 0 0 "[ . 1 . 2]" 1
519 1 91 GLN QB 1 92 VAL H 0.000 . 5.500 3.132 1.979 3.824 . 0 0 "[ . 1 . 2]" 1
520 1 91 GLN QG 1 92 VAL H 0.000 . 3.800 2.798 2.028 3.792 . 0 0 "[ . 1 . 2]" 1
521 1 93 GLY H 1 94 MET H 0.000 . 3.800 2.612 2.252 3.027 . 0 0 "[ . 1 . 2]" 1
522 1 92 VAL HA 1 93 GLY H 0.000 . 2.800 2.236 2.212 2.290 . 0 0 "[ . 1 . 2]" 1
523 1 92 VAL HB 1 93 GLY H 0.000 . 5.500 4.127 3.180 4.494 . 0 0 "[ . 1 . 2]" 1
524 1 92 VAL QG 1 93 GLY H 0.000 . 5.500 2.708 2.045 3.618 . 0 0 "[ . 1 . 2]" 1
525 1 94 MET H 1 95 ARG H 0.000 . 5.500 4.630 4.509 4.705 . 0 0 "[ . 1 . 2]" 1
526 1 92 VAL HA 1 94 MET H 0.000 . 5.500 3.471 3.233 3.861 . 0 0 "[ . 1 . 2]" 1
527 1 93 GLY QA 1 94 MET H 0.000 . 3.800 2.881 2.770 2.934 . 0 0 "[ . 1 . 2]" 1
528 1 92 VAL QG 1 94 MET H 0.000 . 5.500 4.039 3.815 4.404 . 0 0 "[ . 1 . 2]" 1
529 1 95 ARG H 1 96 PHE H 0.000 . 5.500 4.509 4.314 4.633 . 0 0 "[ . 1 . 2]" 1
530 1 94 MET HA 1 95 ARG H 0.000 . 3.800 2.293 2.205 2.354 . 0 0 "[ . 1 . 2]" 1
531 1 94 MET QB 1 95 ARG H 0.000 . 3.800 3.586 2.854 3.818 0.018 13 0 "[ . 1 . 2]" 1
532 1 94 MET QG 1 95 ARG H 0.000 . 5.500 2.452 1.858 3.426 . 0 0 "[ . 1 . 2]" 1
533 1 94 MET ME 1 95 ARG H 0.000 . 5.500 4.024 2.391 5.194 . 0 0 "[ . 1 . 2]" 1
534 1 95 ARG HA 1 96 PHE H 0.000 . 2.800 2.244 2.211 2.389 . 0 0 "[ . 1 . 2]" 1
535 1 95 ARG QB 1 96 PHE H 0.000 . 5.500 3.397 2.785 3.855 . 0 0 "[ . 1 . 2]" 1
536 1 98 ALA H 1 99 GLU H 0.000 . 5.500 4.430 4.107 4.686 . 0 0 "[ . 1 . 2]" 1
537 1 99 GLU H 1 100 THR H 0.000 . 5.500 3.979 3.243 4.578 . 0 0 "[ . 1 . 2]" 1
538 1 98 ALA HA 1 99 GLU H 0.000 . 5.500 2.264 2.211 2.392 . 0 0 "[ . 1 . 2]" 1
539 1 98 ALA MB 1 99 GLU H 0.000 . 5.500 3.203 2.688 3.571 . 0 0 "[ . 1 . 2]" 1
540 1 99 GLU HA 1 100 THR H 0.000 . 2.800 2.375 2.227 2.628 . 0 0 "[ . 1 . 2]" 1
541 1 99 GLU QB 1 100 THR H 0.000 . 5.500 3.845 3.177 4.042 . 0 0 "[ . 1 . 2]" 1
542 1 99 GLU QG 1 100 THR H 0.000 . 5.500 4.093 3.144 4.703 . 0 0 "[ . 1 . 2]" 1
543 1 100 THR HA 1 101 ASP H 0.000 . 5.500 2.481 2.342 2.651 . 0 0 "[ . 1 . 2]" 1
544 1 100 THR HB 1 101 ASP H 0.000 . 5.500 2.797 2.212 4.058 . 0 0 "[ . 1 . 2]" 1
545 1 100 THR HG1 1 101 ASP H 0.000 . 5.500 3.121 1.859 3.672 . 0 0 "[ . 1 . 2]" 1
546 1 102 GLN H 1 103 GLY H 0.000 . 2.800 2.659 2.554 2.800 0.000 13 0 "[ . 1 . 2]" 1
547 1 101 ASP QB 1 102 GLN H 0.000 . 5.500 2.998 2.681 3.640 . 0 0 "[ . 1 . 2]" 1
548 1 100 THR HB 1 102 GLN H 0.000 . 5.500 2.776 2.214 4.305 . 0 0 "[ . 1 . 2]" 1
549 1 100 THR HG1 1 102 GLN H 0.000 . 5.500 3.101 1.962 3.782 . 0 0 "[ . 1 . 2]" 1
550 1 102 GLN HA 1 103 GLY H 0.000 . 3.800 3.265 3.089 3.395 . 0 0 "[ . 1 . 2]" 1
551 1 102 GLN QB 1 103 GLY H 0.000 . 5.500 3.599 3.190 4.002 . 0 0 "[ . 1 . 2]" 1
552 1 102 GLN QG 1 103 GLY H 0.000 . 3.800 3.454 2.927 3.831 0.031 8 0 "[ . 1 . 2]" 1
553 1 100 THR HB 1 103 GLY H 0.000 . 5.500 4.204 3.239 5.498 . 0 0 "[ . 1 . 2]" 1
554 1 100 THR HG1 1 103 GLY H 0.000 . 5.500 3.670 2.324 4.754 . 0 0 "[ . 1 . 2]" 1
555 1 101 ASP QB 1 103 GLY H 0.000 . 5.500 4.458 4.306 4.677 . 0 0 "[ . 1 . 2]" 1
556 1 101 ASP HA 1 103 GLY H 0.000 . 3.500 3.495 3.455 3.520 0.020 8 0 "[ . 1 . 2]" 1
557 1 104 PRO HA 1 105 VAL H 0.000 . 3.800 2.233 2.201 2.323 . 0 0 "[ . 1 . 2]" 1
558 1 104 PRO QG 1 105 VAL H 0.000 . 5.500 4.685 4.417 4.776 . 0 0 "[ . 1 . 2]" 1
559 1 104 PRO QD 1 105 VAL H 0.000 . 5.500 4.948 4.852 5.009 . 0 0 "[ . 1 . 2]" 1
560 1 100 THR HG1 1 105 VAL H 0.000 . 5.500 3.817 3.025 4.461 . 0 0 "[ . 1 . 2]" 1
561 1 107 VAL HA 1 108 GLU H 0.000 . 3.800 2.483 2.239 2.662 . 0 0 "[ . 1 . 2]" 1
562 1 108 GLU HA 1 109 ILE H 0.000 . 2.800 2.284 2.210 2.615 . 0 0 "[ . 1 . 2]" 1
563 1 108 GLU QB 1 109 ILE H 0.000 . 5.500 3.526 2.538 3.997 . 0 0 "[ . 1 . 2]" 1
564 1 108 GLU QG 1 109 ILE H 0.000 . 5.500 3.578 1.849 4.773 . 0 0 "[ . 1 . 2]" 1
565 1 110 THR H 1 111 ALA H 0.000 . 3.800 1.995 1.857 2.316 . 0 0 "[ . 1 . 2]" 1
566 1 109 ILE HA 1 110 THR H 0.000 . 3.800 2.224 2.207 2.272 . 0 0 "[ . 1 . 2]" 1
567 1 109 ILE HB 1 110 THR H 0.000 . 5.500 4.061 3.141 4.538 . 0 0 "[ . 1 . 2]" 1
568 1 109 ILE MD 1 110 THR H 0.000 . 5.500 4.815 3.851 5.500 . 0 0 "[ . 1 . 2]" 1
569 1 109 ILE MG 1 110 THR H 0.000 . 3.800 3.485 2.726 3.803 0.003 9 0 "[ . 1 . 2]" 1
570 1 110 THR H 1 111 ALA HA 0.000 . 5.500 4.751 4.518 5.020 . 0 0 "[ . 1 . 2]" 1
571 1 110 THR H 1 111 ALA MB 0.000 . 5.500 4.011 3.593 4.348 . 0 0 "[ . 1 . 2]" 1
572 1 111 ALA H 1 112 VAL H 0.000 . 5.500 4.295 3.739 4.470 . 0 0 "[ . 1 . 2]" 1
573 1 110 THR HA 1 111 ALA H 0.000 . 5.500 3.484 3.379 3.550 . 0 0 "[ . 1 . 2]" 1
574 1 110 THR MG 1 111 ALA H 0.000 . 3.800 2.067 1.844 2.540 . 0 0 "[ . 1 . 2]" 1
575 1 112 VAL H 1 113 GLU H 0.000 . 5.500 4.220 3.885 4.677 . 0 0 "[ . 1 . 2]" 1
576 1 111 ALA HA 1 112 VAL H 0.000 . 2.800 2.401 2.213 2.614 . 0 0 "[ . 1 . 2]" 1
577 1 111 ALA MB 1 112 VAL H 0.000 . 3.800 2.796 2.217 3.466 . 0 0 "[ . 1 . 2]" 1
578 1 110 THR MG 1 112 VAL H 0.000 . 5.500 5.380 5.132 5.507 0.007 18 0 "[ . 1 . 2]" 1
579 1 113 GLU H 1 114 ASP H 0.000 . 5.500 4.539 4.438 4.647 . 0 0 "[ . 1 . 2]" 1
580 1 112 VAL HA 1 113 GLU H 0.000 . 2.800 2.251 2.213 2.294 . 0 0 "[ . 1 . 2]" 1
581 1 112 VAL QG 1 113 GLU H 0.000 . 5.500 2.795 2.172 3.715 . 0 0 "[ . 1 . 2]" 1
582 1 113 GLU HA 1 114 ASP H 0.000 . 3.800 2.503 2.321 2.638 . 0 0 "[ . 1 . 2]" 1
583 1 113 GLU QG 1 114 ASP H 0.000 . 5.500 3.299 1.872 4.440 . 0 0 "[ . 1 . 2]" 1
584 1 116 HIS HA 1 117 VAL H 0.000 . 3.800 2.305 2.226 2.499 . 0 0 "[ . 1 . 2]" 1
585 1 116 HIS QB 1 117 VAL H 0.000 . 5.500 3.280 2.438 3.772 . 0 0 "[ . 1 . 2]" 1
586 1 117 VAL HA 1 118 VAL H 0.000 . 3.800 2.464 2.269 2.650 . 0 0 "[ . 1 . 2]" 1
587 1 117 VAL HB 1 118 VAL H 0.000 . 3.800 3.290 2.235 3.805 0.005 4 0 "[ . 1 . 2]" 1
588 1 117 VAL QG 1 118 VAL H 0.000 . 5.500 2.280 1.755 3.483 . 0 0 "[ . 1 . 2]" 1
589 1 118 VAL HA 1 119 VAL H 0.000 . 3.800 2.264 2.198 2.370 . 0 0 "[ . 1 . 2]" 1
590 1 118 VAL HB 1 119 VAL H 0.000 . 5.500 3.822 2.803 4.417 . 0 0 "[ . 1 . 2]" 1
591 1 119 VAL HA 1 120 ASP H 0.000 . 3.800 2.270 2.223 2.671 . 0 0 "[ . 1 . 2]" 1
592 1 119 VAL HB 1 120 ASP H 0.000 . 5.500 3.678 2.339 4.420 . 0 0 "[ . 1 . 2]" 1
593 1 119 VAL QG 1 120 ASP H 0.000 . 5.500 3.000 2.086 3.587 . 0 0 "[ . 1 . 2]" 1
594 1 122 ASN H 1 123 HIS H 0.000 . 5.500 4.476 3.991 4.704 . 0 0 "[ . 1 . 2]" 1
595 1 123 HIS H 1 124 MET H 0.000 . 5.500 4.332 2.254 4.689 . 0 0 "[ . 1 . 2]" 1
596 1 122 ASN HA 1 123 HIS H 0.000 . 5.500 2.350 2.210 2.572 . 0 0 "[ . 1 . 2]" 1
597 1 122 ASN QB 1 123 HIS H 0.000 . 5.500 3.108 2.243 3.807 . 0 0 "[ . 1 . 2]" 1
598 1 124 MET H 1 125 LEU H 0.000 . 5.500 2.641 2.477 2.871 . 0 0 "[ . 1 . 2]" 1
599 1 123 HIS QB 1 124 MET H 0.000 . 3.800 2.691 1.849 3.805 0.005 1 0 "[ . 1 . 2]" 1
600 1 125 LEU H 1 126 ALA H 0.000 . 3.800 3.109 1.852 3.821 0.021 9 0 "[ . 1 . 2]" 1
601 1 124 MET HA 1 125 LEU H 0.000 . 5.500 3.511 3.411 3.589 . 0 0 "[ . 1 . 2]" 1
602 1 124 MET QG 1 125 LEU H 0.000 . 5.500 3.976 1.865 4.663 . 0 0 "[ . 1 . 2]" 1
603 1 126 ALA H 1 127 GLY H 0.000 . 5.500 4.482 3.664 4.675 . 0 0 "[ . 1 . 2]" 1
604 1 123 HIS QB 1 126 ALA H 0.000 . 5.500 3.672 2.644 4.930 . 0 0 "[ . 1 . 2]" 1
605 1 127 GLY H 1 128 GLN H 0.000 . 3.800 2.345 1.953 2.896 . 0 0 "[ . 1 . 2]" 1
606 1 126 ALA HA 1 127 GLY H 0.000 . 2.800 2.453 2.213 2.757 . 0 0 "[ . 1 . 2]" 1
607 1 126 ALA MB 1 127 GLY H 0.000 . 3.800 2.661 1.935 3.617 . 0 0 "[ . 1 . 2]" 1
608 1 128 GLN H 1 129 ASN H 0.000 . 3.800 3.714 3.343 3.852 0.052 6 0 "[ . 1 . 2]" 1
609 1 127 GLY QA 1 128 GLN H 0.000 . 3.800 2.886 2.787 2.932 . 0 0 "[ . 1 . 2]" 1
610 1 126 ALA HA 1 128 GLN H 0.000 . 5.500 3.349 3.028 3.776 . 0 0 "[ . 1 . 2]" 1
611 1 126 ALA MB 1 128 GLN H 0.000 . 5.500 4.240 3.872 4.690 . 0 0 "[ . 1 . 2]" 1
612 1 128 GLN HA 1 129 ASN H 0.000 . 5.500 2.430 2.263 2.530 . 0 0 "[ . 1 . 2]" 1
613 1 129 ASN HA 1 130 LEU H 0.000 . 5.500 2.383 2.211 3.484 . 0 0 "[ . 1 . 2]" 1
614 1 129 ASN QB 1 130 LEU H 0.000 . 5.500 3.110 2.265 3.953 . 0 0 "[ . 1 . 2]" 1
615 1 131 LYS H 1 132 PHE H 0.000 . 5.500 4.469 4.240 4.595 . 0 0 "[ . 1 . 2]" 1
616 1 130 LEU HA 1 131 LYS H 0.000 . 5.500 2.310 2.225 2.504 . 0 0 "[ . 1 . 2]" 1
617 1 130 LEU QB 1 131 LYS H 0.000 . 5.500 2.998 2.426 3.701 . 0 0 "[ . 1 . 2]" 1
618 1 130 LEU QD 1 131 LYS H 0.000 . 5.500 3.864 2.584 4.323 . 0 0 "[ . 1 . 2]" 1
619 1 132 PHE H 1 133 ASN H 0.000 . 5.500 4.295 3.921 4.427 . 0 0 "[ . 1 . 2]" 1
620 1 131 LYS HA 1 132 PHE H 0.000 . 3.800 2.230 2.215 2.252 . 0 0 "[ . 1 . 2]" 1
621 1 131 LYS QB 1 132 PHE H 0.000 . 5.500 3.549 3.129 3.931 . 0 0 "[ . 1 . 2]" 1
622 1 131 LYS QG 1 132 PHE H 0.000 . 5.500 3.384 2.590 4.273 . 0 0 "[ . 1 . 2]" 1
623 1 132 PHE QD 1 133 ASN H 0.000 . 5.500 3.867 3.405 4.424 . 0 0 "[ . 1 . 2]" 1
624 1 132 PHE HA 1 133 ASN H 0.000 . 2.800 2.270 2.212 2.340 . 0 0 "[ . 1 . 2]" 1
625 1 132 PHE QB 1 133 ASN H 0.000 . 5.500 3.212 2.806 3.982 . 0 0 "[ . 1 . 2]" 1
626 1 133 ASN HA 1 134 VAL H 0.000 . 3.800 2.307 2.216 2.432 . 0 0 "[ . 1 . 2]" 1
627 1 133 ASN QB 1 134 VAL H 0.000 . 5.500 3.299 2.700 3.901 . 0 0 "[ . 1 . 2]" 1
628 1 135 GLU H 1 136 VAL H 0.000 . 5.500 4.237 3.906 4.435 . 0 0 "[ . 1 . 2]" 1
629 1 134 VAL HA 1 135 GLU H 0.000 . 3.800 2.282 2.211 2.412 . 0 0 "[ . 1 . 2]" 1
630 1 134 VAL HB 1 135 GLU H 0.000 . 5.500 3.664 2.720 4.395 . 0 0 "[ . 1 . 2]" 1
631 1 134 VAL QG 1 135 GLU H 0.000 . 5.500 2.712 1.835 3.554 . 0 0 "[ . 1 . 2]" 1
632 1 136 VAL H 1 137 VAL H 0.000 . 5.500 4.632 4.601 4.654 . 0 0 "[ . 1 . 2]" 1
633 1 135 GLU HA 1 136 VAL H 0.000 . 3.800 2.230 2.211 2.281 . 0 0 "[ . 1 . 2]" 1
634 1 135 GLU QB 1 136 VAL H 0.000 . 5.500 3.674 3.111 3.989 . 0 0 "[ . 1 . 2]" 1
635 1 135 GLU QG 1 136 VAL H 0.000 . 5.500 3.447 2.519 4.479 . 0 0 "[ . 1 . 2]" 1
636 1 137 VAL H 1 138 ALA H 0.000 . 5.500 2.125 2.028 2.263 . 0 0 "[ . 1 . 2]" 1
637 1 137 VAL H 1 138 ALA MB 0.000 . 5.500 4.265 4.121 4.425 . 0 0 "[ . 1 . 2]" 1
638 1 138 ALA H 1 139 ILE H 0.000 . 5.500 4.417 4.370 4.446 . 0 0 "[ . 1 . 2]" 1
639 1 137 VAL HB 1 138 ALA H 0.000 . 5.500 2.728 2.260 4.044 . 0 0 "[ . 1 . 2]" 1
640 1 137 VAL HA 1 138 ALA H 0.000 . 5.500 3.566 3.523 3.596 . 0 0 "[ . 1 . 2]" 1
641 1 137 VAL QG 1 138 ALA H 0.000 . 5.500 3.021 1.828 3.364 . 0 0 "[ . 1 . 2]" 1
642 1 139 ILE H 1 140 ARG H 0.000 . 5.500 3.844 3.751 4.026 . 0 0 "[ . 1 . 2]" 1
643 1 138 ALA HA 1 139 ILE H 0.000 . 3.800 2.440 2.363 2.512 . 0 0 "[ . 1 . 2]" 1
644 1 138 ALA MB 1 139 ILE H 0.000 . 3.800 2.651 2.380 2.802 . 0 0 "[ . 1 . 2]" 1
645 1 140 ARG H 1 141 GLU H 0.000 . 5.500 4.502 4.428 4.548 . 0 0 "[ . 1 . 2]" 1
646 1 139 ILE HA 1 140 ARG H 0.000 . 3.800 2.263 2.214 2.271 . 0 0 "[ . 1 . 2]" 1
647 1 139 ILE HB 1 140 ARG H 0.000 . 5.500 4.353 3.695 4.534 . 0 0 "[ . 1 . 2]" 1
648 1 139 ILE MG 1 140 ARG H 0.000 . 5.500 3.363 3.100 4.279 . 0 0 "[ . 1 . 2]" 1
649 1 139 ILE MD 1 140 ARG H 0.000 . 5.500 5.385 5.189 5.560 0.060 5 0 "[ . 1 . 2]" 1
650 1 140 ARG HA 1 141 GLU H 0.000 . 2.800 2.389 2.280 2.600 . 0 0 "[ . 1 . 2]" 1
651 1 140 ARG QB 1 141 GLU H 0.000 . 5.500 2.955 2.334 3.542 . 0 0 "[ . 1 . 2]" 1
652 1 140 ARG QG 1 141 GLU H 0.000 . 5.500 3.283 1.961 4.241 . 0 0 "[ . 1 . 2]" 1
653 1 141 GLU HA 1 142 ALA H 0.000 . 2.800 2.290 2.208 2.411 . 0 0 "[ . 1 . 2]" 1
654 1 141 GLU QB 1 142 ALA H 0.000 . 3.800 3.289 2.725 3.801 0.001 5 0 "[ . 1 . 2]" 1
655 1 141 GLU QG 1 142 ALA H 0.000 . 5.500 3.195 1.960 4.425 . 0 0 "[ . 1 . 2]" 1
656 1 143 THR H 1 144 GLU H 0.000 . 5.500 4.585 4.557 4.648 . 0 0 "[ . 1 . 2]" 1
657 1 142 ALA HA 1 143 THR H 0.000 . 2.800 2.381 2.286 2.424 . 0 0 "[ . 1 . 2]" 1
658 1 142 ALA MB 1 143 THR H 0.000 . 3.800 2.773 2.692 2.974 . 0 0 "[ . 1 . 2]" 1
659 1 143 THR H 1 146 GLU H 0.000 . 5.500 3.484 3.389 3.529 . 0 0 "[ . 1 . 2]" 1
660 1 143 THR H 1 147 LEU H 0.000 . 5.500 4.401 4.181 4.673 . 0 0 "[ . 1 . 2]" 1
661 1 144 GLU H 1 145 GLU H 0.000 . 2.800 2.764 2.673 2.810 0.010 10 0 "[ . 1 . 2]" 1
662 1 144 GLU H 1 146 GLU H 0.000 . 5.500 4.209 4.051 4.434 . 0 0 "[ . 1 . 2]" 1
663 1 144 GLU H 1 147 LEU H 0.000 . 5.500 5.002 4.840 5.177 . 0 0 "[ . 1 . 2]" 1
664 1 143 THR HA 1 144 GLU H 0.000 . 5.500 2.615 2.483 2.654 . 0 0 "[ . 1 . 2]" 1
665 1 143 THR HB 1 144 GLU H 0.000 . 5.500 2.704 2.168 3.386 . 0 0 "[ . 1 . 2]" 1
666 1 143 THR MG 1 144 GLU H 0.000 . 5.500 2.525 1.788 3.807 . 0 0 "[ . 1 . 2]" 1
667 1 145 GLU H 1 146 GLU H 0.000 . 3.800 2.607 2.550 2.694 . 0 0 "[ . 1 . 2]" 1
668 1 145 GLU H 1 147 LEU H 0.000 . 5.500 4.297 4.156 4.432 . 0 0 "[ . 1 . 2]" 1
669 1 143 THR HA 1 145 GLU H 0.000 . 5.500 4.583 4.310 4.756 . 0 0 "[ . 1 . 2]" 1
670 1 143 THR HB 1 145 GLU H 0.000 . 5.500 2.833 2.527 3.287 . 0 0 "[ . 1 . 2]" 1
671 1 144 GLU HA 1 145 GLU H 0.000 . 5.500 3.566 3.542 3.582 . 0 0 "[ . 1 . 2]" 1
672 1 144 GLU QG 1 145 GLU H 0.000 . 5.500 3.947 1.814 4.471 . 0 0 "[ . 1 . 2]" 1
673 1 146 GLU H 1 147 LEU H 0.000 . 2.800 2.788 2.727 2.812 0.012 3 0 "[ . 1 . 2]" 1
674 1 146 GLU H 1 148 ALA H 0.000 . 5.500 3.776 3.683 3.906 . 0 0 "[ . 1 . 2]" 1
675 1 145 GLU HA 1 146 GLU H 0.000 . 5.500 3.565 3.550 3.584 . 0 0 "[ . 1 . 2]" 1
676 1 145 GLU QG 1 146 GLU H 0.000 . 5.500 4.004 3.306 4.531 . 0 0 "[ . 1 . 2]" 1
677 1 142 ALA HA 1 146 GLU H 0.000 . 5.500 5.430 5.149 5.514 0.014 11 0 "[ . 1 . 2]" 1
678 1 142 ALA MB 1 146 GLU H 0.000 . 3.800 3.811 3.769 3.841 0.041 8 0 "[ . 1 . 2]" 1
679 1 146 GLU HA 1 147 LEU H 0.000 . 5.500 3.578 3.567 3.589 . 0 0 "[ . 1 . 2]" 1
680 1 146 GLU QB 1 147 LEU H 0.000 . 5.500 2.430 2.258 2.547 . 0 0 "[ . 1 . 2]" 1
681 1 146 GLU QG 1 147 LEU H 0.000 . 5.500 4.172 3.678 4.444 . 0 0 "[ . 1 . 2]" 1
682 1 144 GLU HA 1 147 LEU H 0.000 . 3.800 3.802 3.715 3.814 0.014 10 0 "[ . 1 . 2]" 1
683 1 142 ALA HA 1 147 LEU H 0.000 . 5.500 5.446 5.260 5.512 0.012 9 0 "[ . 1 . 2]" 1
684 1 142 ALA MB 1 147 LEU H 0.000 . 3.800 2.837 2.704 3.012 . 0 0 "[ . 1 . 2]" 1
685 1 143 THR HB 1 147 LEU H 0.000 . 5.500 5.016 4.534 5.802 0.302 7 0 "[ . 1 . 2]" 1
686 1 143 THR HA 1 147 LEU H 0.000 . 5.500 5.169 4.970 5.407 . 0 0 "[ . 1 . 2]" 1
687 1 148 ALA H 1 149 HIS H 0.000 . 5.500 2.748 2.614 2.965 . 0 0 "[ . 1 . 2]" 1
688 1 148 ALA H 1 149 HIS HE1 0.000 . 5.500 3.484 3.323 3.623 . 0 0 "[ . 1 . 2]" 1
689 1 147 LEU HA 1 148 ALA H 0.000 . 5.500 3.448 3.378 3.495 . 0 0 "[ . 1 . 2]" 1
690 1 147 LEU QB 1 148 ALA H 0.000 . 5.500 3.023 2.895 3.165 . 0 0 "[ . 1 . 2]" 1
691 1 147 LEU HG 1 148 ALA H 0.000 . 5.500 5.074 4.616 5.503 0.003 5 0 "[ . 1 . 2]" 1
692 1 147 LEU QD 1 148 ALA H 0.000 . 5.500 4.070 3.751 4.289 . 0 0 "[ . 1 . 2]" 1
693 1 149 HIS H 1 150 GLY H 0.000 . 3.800 2.339 1.998 2.585 . 0 0 "[ . 1 . 2]" 1
694 1 148 ALA HA 1 149 HIS H 0.000 . 5.500 3.577 3.568 3.585 . 0 0 "[ . 1 . 2]" 1
695 1 148 ALA MB 1 149 HIS H 0.000 . 5.500 2.104 2.055 2.219 . 0 0 "[ . 1 . 2]" 1
696 1 147 LEU HA 1 149 HIS H 0.000 . 5.500 4.668 4.429 4.873 . 0 0 "[ . 1 . 2]" 1
697 1 149 HIS H 1 150 GLY QA 0.000 . 5.500 4.334 4.059 4.560 . 0 0 "[ . 1 . 2]" 1
698 1 149 HIS H 1 151 HIS HD2 0.000 . 5.500 4.710 2.552 5.491 . 0 0 "[ . 1 . 2]" 1
699 1 150 GLY H 1 151 HIS H 0.000 . 2.800 2.700 2.541 2.803 0.003 14 0 "[ . 1 . 2]" 1
700 1 149 HIS HA 1 150 GLY H 0.000 . 5.500 3.354 3.300 3.416 . 0 0 "[ . 1 . 2]" 1
701 1 149 HIS QB 1 150 GLY H 0.000 . 5.500 3.272 3.141 3.609 . 0 0 "[ . 1 . 2]" 1
702 1 149 HIS HD2 1 150 GLY H 0.000 . 5.500 4.778 3.656 5.501 0.001 8 0 "[ . 1 . 2]" 1
703 1 148 ALA HA 1 150 GLY H 0.000 . 5.500 4.101 3.719 4.660 . 0 0 "[ . 1 . 2]" 1
704 1 148 ALA MB 1 150 GLY H 0.000 . 3.800 3.862 3.824 3.887 0.087 5 0 "[ . 1 . 2]" 1
705 1 147 LEU HA 1 150 GLY H 0.000 . 5.500 3.346 3.009 3.566 . 0 0 "[ . 1 . 2]" 1
706 1 146 GLU HA 1 150 GLY H 0.000 . 5.500 4.526 4.017 5.197 . 0 0 "[ . 1 . 2]" 1
707 1 151 HIS H 1 152 VAL H 0.000 . 5.500 4.413 4.363 4.497 . 0 0 "[ . 1 . 2]" 1
708 1 150 GLY QA 1 151 HIS H 0.000 . 3.800 2.696 2.420 2.905 . 0 0 "[ . 1 . 2]" 1
709 1 149 HIS QB 1 151 HIS H 0.000 . 5.500 3.402 2.560 5.317 . 0 0 "[ . 1 . 2]" 1
710 1 148 ALA MB 1 151 HIS H 0.000 . 5.500 5.355 5.163 5.488 . 0 0 "[ . 1 . 2]" 1
711 1 151 HIS HA 1 152 VAL H 0.000 . 5.500 2.516 2.292 2.716 . 0 0 "[ . 1 . 2]" 1
712 1 151 HIS QB 1 152 VAL H 0.000 . 5.500 2.453 2.023 3.065 . 0 0 "[ . 1 . 2]" 1
713 1 152 VAL HA 1 153 HIS H 0.000 . 3.800 2.231 2.210 2.266 . 0 0 "[ . 1 . 2]" 1
714 1 152 VAL HB 1 153 HIS H 0.000 . 5.500 4.152 3.142 4.523 . 0 0 "[ . 1 . 2]" 1
715 1 152 VAL QG 1 153 HIS H 0.000 . 3.800 2.864 2.150 3.637 . 0 0 "[ . 1 . 2]" 1
716 1 153 HIS HA 1 154 GLY H 0.000 . 5.500 2.795 2.212 3.591 . 0 0 "[ . 1 . 2]" 1
717 1 153 HIS QB 1 154 GLY H 0.000 . 5.500 3.198 1.884 4.035 . 0 0 "[ . 1 . 2]" 1
718 1 154 GLY QA 1 155 ALA H 0.000 . 3.800 2.413 2.167 2.819 . 0 0 "[ . 1 . 2]" 1
719 1 155 ALA MB 1 156 HIS H 0.000 . 5.500 3.007 1.811 3.729 . 0 0 "[ . 1 . 2]" 1
720 1 156 HIS QB 1 157 ASP H 0.000 . 5.500 2.813 1.906 3.881 . 0 0 "[ . 1 . 2]" 1
721 1 1 MET ME 1 3 VAL QG 0.000 . 5.500 4.829 4.347 5.277 . 0 0 "[ . 1 . 2]" 1
722 1 1 MET ME 1 139 ILE HB 0.000 . 5.500 2.882 1.970 3.943 . 0 0 "[ . 1 . 2]" 1
723 1 1 MET ME 1 139 ILE MG 0.000 . 3.800 2.573 1.815 3.795 . 0 0 "[ . 1 . 2]" 1
724 1 1 MET ME 1 139 ILE MD 0.000 . 3.800 3.567 2.762 3.804 0.004 4 0 "[ . 1 . 2]" 1
725 1 2 LYS QB 1 3 VAL QG 0.000 . 5.500 4.095 3.704 4.551 . 0 0 "[ . 1 . 2]" 1
726 1 3 VAL HB 1 50 GLU QG 0.000 . 5.500 5.001 3.862 5.500 0.000 14 0 "[ . 1 . 2]" 1
727 1 3 VAL HA 1 139 ILE MD 0.000 . 3.800 1.875 1.787 2.244 . 0 0 "[ . 1 . 2]" 1
728 1 3 VAL HA 1 139 ILE MG 0.000 . 3.800 1.823 1.687 2.152 . 0 0 "[ . 1 . 2]" 1
729 1 3 VAL HB 1 139 ILE MD 0.000 . 5.500 2.795 2.176 4.164 . 0 0 "[ . 1 . 2]" 1
730 1 3 VAL HB 1 139 ILE MG 0.000 . 3.800 3.813 3.789 3.831 0.031 17 0 "[ . 1 . 2]" 1
731 1 3 VAL HA 1 7 LEU QD 0.000 . 5.500 3.359 1.602 4.305 . 0 0 "[ . 1 . 2]" 1
732 1 3 VAL QG 1 4 ALA MB 0.000 . 3.800 3.697 3.503 3.813 0.013 6 0 "[ . 1 . 2]" 1
733 1 3 VAL QG 1 4 ALA HA 0.000 . 5.500 3.170 2.971 3.717 . 0 0 "[ . 1 . 2]" 1
734 1 3 VAL HB 1 4 ALA MB 0.000 . 5.500 5.394 5.107 5.510 0.010 15 0 "[ . 1 . 2]" 1
735 1 3 VAL HA 1 4 ALA MB 0.000 . 3.800 3.748 3.668 3.807 0.007 18 0 "[ . 1 . 2]" 1
736 1 3 VAL HA 1 4 ALA HA 0.000 . 5.500 4.525 4.472 4.590 . 0 0 "[ . 1 . 2]" 1
737 1 3 VAL HB 1 4 ALA HA 0.000 . 5.500 5.396 4.978 5.566 0.066 15 0 "[ . 1 . 2]" 1
738 1 4 ALA MB 1 139 ILE MD 0.000 . 5.500 4.724 4.049 4.886 . 0 0 "[ . 1 . 2]" 1
739 1 4 ALA MB 1 7 LEU QD 0.000 . 5.500 2.274 1.529 3.407 . 0 0 "[ . 1 . 2]" 1
740 1 4 ALA HA 1 7 LEU QD 0.000 . 5.500 4.304 3.455 5.349 . 0 0 "[ . 1 . 2]" 1
741 1 5 LYS QE 1 35 LEU QD 0.000 . 5.500 4.410 3.781 5.053 . 0 0 "[ . 1 . 2]" 1
742 1 5 LYS QE 1 147 LEU QD 0.000 . 5.500 4.094 2.297 5.501 0.001 19 0 "[ . 1 . 2]" 1
743 1 5 LYS HA 1 36 HIS QB 0.000 . 5.500 2.897 1.849 4.299 . 0 0 "[ . 1 . 2]" 1
744 1 5 LYS HA 1 37 GLY QA 0.000 . 5.500 3.333 1.865 4.929 . 0 0 "[ . 1 . 2]" 1
745 1 5 LYS QB 1 37 GLY QA 0.000 . 5.500 3.766 1.959 5.488 . 0 0 "[ . 1 . 2]" 1
746 1 5 LYS QG 1 37 GLY QA 0.000 . 5.500 2.741 1.698 5.500 0.000 4 0 "[ . 1 . 2]" 1
747 1 5 LYS QD 1 37 GLY QA 0.000 . 5.500 3.805 2.171 5.359 . 0 0 "[ . 1 . 2]" 1
748 1 5 LYS QE 1 37 GLY QA 0.000 . 5.500 3.573 1.757 5.289 . 0 0 "[ . 1 . 2]" 1
749 1 5 LYS QB 1 38 HIS QB 0.000 . 5.500 5.265 3.314 5.514 0.014 17 0 "[ . 1 . 2]" 1
750 1 5 LYS QG 1 38 HIS QB 0.000 . 5.500 4.161 1.844 5.506 0.006 18 0 "[ . 1 . 2]" 1
751 1 5 LYS QD 1 38 HIS QB 0.000 . 5.500 4.500 2.237 5.508 0.008 6 0 "[ . 1 . 2]" 1
752 1 5 LYS QE 1 38 HIS QB 0.000 . 5.500 3.295 1.669 5.074 . 0 0 "[ . 1 . 2]" 1
753 1 6 ASP HA 1 35 LEU QD 0.000 . 3.800 2.338 1.690 3.338 . 0 0 "[ . 1 . 2]" 1
754 1 6 ASP HA 1 35 LEU HG 0.000 . 5.500 3.159 2.247 4.049 . 0 0 "[ . 1 . 2]" 1
755 1 6 ASP HA 1 147 LEU QD 0.000 . 5.500 1.962 1.718 2.590 . 0 0 "[ . 1 . 2]" 1
756 1 6 ASP QB 1 147 LEU QD 0.000 . 3.800 2.138 1.537 3.344 . 0 0 "[ . 1 . 2]" 1
757 1 3 VAL QG 1 7 LEU QD 0.000 . 5.500 3.633 1.940 4.277 . 0 0 "[ . 1 . 2]" 1
758 1 8 VAL QG 1 35 LEU QD 0.000 . 5.500 2.929 1.881 3.879 . 0 0 "[ . 1 . 2]" 1
759 1 8 VAL HA 1 35 LEU QD 0.000 . 5.500 2.941 2.142 3.909 . 0 0 "[ . 1 . 2]" 1
760 1 8 VAL HA 1 35 LEU HA 0.000 . 5.500 2.729 2.144 3.841 . 0 0 "[ . 1 . 2]" 1
761 1 9 VAL QG 1 41 LEU QD 0.000 . 5.500 4.152 2.714 5.467 . 0 0 "[ . 1 . 2]" 1
762 1 10 SER HA 1 33 ASP HA 0.000 . 2.800 1.939 1.826 2.129 . 0 0 "[ . 1 . 2]" 1
763 1 11 LEU HA 1 136 VAL HA 0.000 . 2.800 2.806 2.741 2.818 0.018 12 0 "[ . 1 . 2]" 1
764 1 11 LEU QD 1 136 VAL QG 0.000 . 5.500 2.574 1.675 3.544 . 0 0 "[ . 1 . 2]" 1
765 1 11 LEU QD 1 134 VAL QG 0.000 . 5.500 1.914 1.521 2.587 . 0 0 "[ . 1 . 2]" 1
766 1 11 LEU QD 1 41 LEU QD 0.000 . 3.800 2.870 2.278 3.818 0.018 10 0 "[ . 1 . 2]" 1
767 1 12 ALA HA 1 31 PRO HA 0.000 . 5.500 3.149 2.305 3.809 . 0 0 "[ . 1 . 2]" 1
768 1 12 ALA MB 1 26 SER QB 0.000 . 5.500 2.407 1.827 3.688 . 0 0 "[ . 1 . 2]" 1
769 1 13 TYR HA 1 134 VAL HA 0.000 . 2.800 2.513 1.906 2.802 0.002 12 0 "[ . 1 . 2]" 1
770 1 13 TYR HA 1 134 VAL HB 0.000 . 5.500 5.203 4.145 5.509 0.009 4 0 "[ . 1 . 2]" 1
771 1 13 TYR HA 1 134 VAL QG 0.000 . 5.500 3.390 2.767 3.794 . 0 0 "[ . 1 . 2]" 1
772 1 13 TYR QB 1 134 VAL QG 0.000 . 5.500 1.800 1.582 2.417 . 0 0 "[ . 1 . 2]" 1
773 1 13 TYR QD 1 134 VAL QG 0.000 . 5.500 3.045 2.192 3.825 . 0 0 "[ . 1 . 2]" 1
774 1 13 TYR QE 1 134 VAL QG 0.000 . 5.500 4.443 3.618 5.342 . 0 0 "[ . 1 . 2]" 1
775 1 13 TYR QD 1 15 VAL QG 0.000 . 5.500 3.166 2.027 4.094 . 0 0 "[ . 1 . 2]" 1
776 1 13 TYR QE 1 15 VAL QG 0.000 . 5.500 2.872 1.802 3.984 . 0 0 "[ . 1 . 2]" 1
777 1 12 ALA MB 1 13 TYR HA 0.000 . 5.500 3.898 3.829 3.959 . 0 0 "[ . 1 . 2]" 1
778 1 13 TYR QD 1 132 PHE QR 0.000 . 5.500 3.028 2.112 3.809 . 0 0 "[ . 1 . 2]" 1
779 1 13 TYR QE 1 132 PHE QR 0.000 . 5.500 4.180 2.987 5.133 . 0 0 "[ . 1 . 2]" 1
780 1 15 VAL HA 1 132 PHE HA 0.000 . 2.800 2.464 2.142 2.816 0.016 8 0 "[ . 1 . 2]" 1
781 1 15 VAL QG 1 132 PHE QR 0.000 . 5.500 2.447 1.679 3.173 . 0 0 "[ . 1 . 2]" 1
782 1 15 VAL QG 1 45 LEU QD 0.000 . 5.500 5.016 4.421 5.517 0.017 10 0 "[ . 1 . 2]" 1
783 1 15 VAL QG 1 23 VAL QG 0.000 . 5.500 2.433 1.641 2.926 . 0 0 "[ . 1 . 2]" 1
784 1 13 TYR QR 1 15 VAL HB 0.000 . 5.500 3.612 2.504 5.088 . 0 0 "[ . 1 . 2]" 1
785 1 15 VAL HB 1 130 LEU QD 0.000 . 5.500 4.299 1.922 5.366 . 0 0 "[ . 1 . 2]" 1
786 1 16 ARG HA 1 22 LEU HA 0.000 . 2.800 2.072 1.842 2.370 . 0 0 "[ . 1 . 2]" 1
787 1 16 ARG QB 1 22 LEU QD 0.000 . 5.500 3.486 1.778 5.423 . 0 0 "[ . 1 . 2]" 1
788 1 16 ARG HA 1 17 THR MG 0.000 . 5.500 3.721 3.569 4.082 . 0 0 "[ . 1 . 2]" 1
789 1 17 THR HA 1 130 LEU HA 0.000 . 3.800 3.181 2.642 3.765 . 0 0 "[ . 1 . 2]" 1
790 1 17 THR HB 1 130 LEU HA 0.000 . 5.500 5.208 4.684 5.396 . 0 0 "[ . 1 . 2]" 1
791 1 17 THR HA 1 130 LEU QD 0.000 . 5.500 3.548 2.536 4.339 . 0 0 "[ . 1 . 2]" 1
792 1 17 THR HB 1 130 LEU QD 0.000 . 5.500 4.251 3.109 5.507 0.007 11 0 "[ . 1 . 2]" 1
793 1 17 THR MG 1 130 LEU QD 0.000 . 5.500 2.242 1.615 3.424 . 0 0 "[ . 1 . 2]" 1
794 1 15 VAL QG 1 17 THR MG 0.000 . 5.500 3.500 3.156 4.054 . 0 0 "[ . 1 . 2]" 1
795 1 17 THR MG 1 21 VAL QG 0.000 . 3.800 3.419 2.932 3.796 . 0 0 "[ . 1 . 2]" 1
796 1 19 ASP QB 1 21 VAL QG 0.000 . 5.500 2.201 1.711 3.212 . 0 0 "[ . 1 . 2]" 1
797 1 15 VAL QG 1 24 ASP HA 0.000 . 3.800 3.766 3.654 3.812 0.012 11 0 "[ . 1 . 2]" 1
798 1 15 VAL QG 1 24 ASP QB 0.000 . 3.800 2.350 1.795 3.766 . 0 0 "[ . 1 . 2]" 1
799 1 23 VAL QG 1 24 ASP QB 0.000 . 3.800 2.619 1.904 3.418 . 0 0 "[ . 1 . 2]" 1
800 1 23 VAL HB 1 24 ASP QB 0.000 . 5.500 3.553 3.133 4.206 . 0 0 "[ . 1 . 2]" 1
801 1 13 TYR QR 1 24 ASP QB 0.000 . 5.500 3.809 3.108 5.419 . 0 0 "[ . 1 . 2]" 1
802 1 13 TYR QE 1 26 SER QB 0.000 . 3.800 3.498 2.681 3.809 0.009 2 0 "[ . 1 . 2]" 1
803 1 13 TYR QD 1 26 SER QB 0.000 . 5.500 3.282 2.352 4.072 . 0 0 "[ . 1 . 2]" 1
804 1 26 SER QB 1 27 PRO QG 0.000 . 5.500 4.449 3.822 4.947 . 0 0 "[ . 1 . 2]" 1
805 1 30 ALA HA 1 31 PRO QD 0.000 . 5.500 2.140 1.902 2.416 . 0 0 "[ . 1 . 2]" 1
806 1 30 ALA MB 1 31 PRO QD 0.000 . 5.500 3.467 3.152 3.537 . 0 0 "[ . 1 . 2]" 1
807 1 30 ALA MB 1 31 PRO QG 0.000 . 5.500 4.919 4.590 5.004 . 0 0 "[ . 1 . 2]" 1
808 1 30 ALA MB 1 31 PRO QB 0.000 . 5.500 5.156 5.079 5.191 . 0 0 "[ . 1 . 2]" 1
809 1 26 SER QB 1 30 ALA MB 0.000 . 5.500 4.924 3.747 5.504 0.004 10 0 "[ . 1 . 2]" 1
810 1 27 PRO QD 1 30 ALA MB 0.000 . 5.500 2.950 2.072 3.919 . 0 0 "[ . 1 . 2]" 1
811 1 27 PRO QG 1 30 ALA MB 0.000 . 5.500 2.038 1.737 2.978 . 0 0 "[ . 1 . 2]" 1
812 1 27 PRO QB 1 30 ALA MB 0.000 . 5.500 3.311 2.398 4.510 . 0 0 "[ . 1 . 2]" 1
813 1 28 VAL QG 1 30 ALA MB 0.000 . 5.500 5.162 4.822 5.485 . 0 0 "[ . 1 . 2]" 1
814 1 32 LEU QD 1 41 LEU QD 0.000 . 3.800 2.717 1.823 3.660 . 0 0 "[ . 1 . 2]" 1
815 1 32 LEU HG 1 41 LEU QD 0.000 . 5.000 4.430 2.739 5.001 0.001 10 0 "[ . 1 . 2]" 1
816 1 13 TYR QR 1 32 LEU QD 0.000 . 5.500 2.595 1.703 3.683 . 0 0 "[ . 1 . 2]" 1
817 1 13 TYR QR 1 32 LEU HG 0.000 . 5.500 4.310 2.471 5.500 . 0 0 "[ . 1 . 2]" 1
818 1 8 VAL QG 1 33 ASP HA 0.000 . 5.500 4.250 3.146 5.141 . 0 0 "[ . 1 . 2]" 1
819 1 8 VAL QG 1 33 ASP QB 0.000 . 3.800 3.358 2.080 3.816 0.016 8 0 "[ . 1 . 2]" 1
820 1 33 ASP HA 1 152 VAL QG 0.000 . 5.500 4.730 3.851 5.502 0.002 10 0 "[ . 1 . 2]" 1
821 1 32 LEU QD 1 33 ASP HA 0.000 . 5.500 4.659 3.743 5.389 . 0 0 "[ . 1 . 2]" 1
822 1 34 TYR QE 1 41 LEU QD 0.000 . 5.500 3.670 1.926 5.494 . 0 0 "[ . 1 . 2]" 1
823 1 34 TYR QB 1 41 LEU QD 0.000 . 5.500 3.137 2.369 4.198 . 0 0 "[ . 1 . 2]" 1
824 1 35 LEU QD 1 147 LEU QD 0.000 . 2.800 1.828 1.467 2.369 . 0 0 "[ . 1 . 2]" 1
825 1 35 LEU HG 1 147 LEU QD 0.000 . 3.800 3.255 2.286 3.803 0.003 16 0 "[ . 1 . 2]" 1
826 1 6 ASP QB 1 35 LEU HG 0.000 . 5.500 4.931 4.339 5.504 0.004 15 0 "[ . 1 . 2]" 1
827 1 3 VAL QG 1 36 HIS QB 0.000 . 5.500 2.628 1.984 3.189 . 0 0 "[ . 1 . 2]" 1
828 1 3 VAL QG 1 36 HIS HA 0.000 . 5.500 4.400 3.653 5.071 . 0 0 "[ . 1 . 2]" 1
829 1 35 LEU QD 1 38 HIS QB 0.000 . 3.800 3.144 1.944 3.813 0.013 14 0 "[ . 1 . 2]" 1
830 1 35 LEU QD 1 38 HIS HD2 0.000 . 3.800 2.516 1.720 3.811 0.011 12 0 "[ . 1 . 2]" 1
831 1 35 LEU QD 1 38 HIS HE1 0.000 . 5.500 3.577 2.001 5.072 . 0 0 "[ . 1 . 2]" 1
832 1 35 LEU HG 1 38 HIS HD2 0.000 . 3.800 3.408 2.366 3.829 0.029 12 0 "[ . 1 . 2]" 1
833 1 35 LEU QD 1 38 HIS HA 0.000 . 5.500 4.813 4.110 5.511 0.011 12 0 "[ . 1 . 2]" 1
834 1 38 HIS HE1 1 147 LEU QD 0.000 . 3.800 3.255 1.848 3.811 0.011 15 0 "[ . 1 . 2]" 1
835 1 38 HIS HD2 1 147 LEU QD 0.000 . 5.500 3.653 1.989 5.321 . 0 0 "[ . 1 . 2]" 1
836 1 5 LYS QE 1 38 HIS HD2 0.000 . 3.800 3.421 1.986 3.822 0.022 16 0 "[ . 1 . 2]" 1
837 1 5 LYS QE 1 38 HIS HE1 0.000 . 5.500 3.722 2.097 5.503 0.003 11 0 "[ . 1 . 2]" 1
838 1 5 LYS QG 1 38 HIS HD2 0.000 . 5.500 3.901 1.997 5.498 . 0 0 "[ . 1 . 2]" 1
839 1 40 SER HA 1 41 LEU QD 0.000 . 5.500 4.211 2.300 5.509 0.009 15 0 "[ . 1 . 2]" 1
840 1 40 SER QB 1 41 LEU QD 0.000 . 5.500 3.193 1.731 4.952 . 0 0 "[ . 1 . 2]" 1
841 1 41 LEU QD 1 42 ILE MD 0.000 . 5.500 4.219 3.222 5.021 . 0 0 "[ . 1 . 2]" 1
842 1 42 ILE MD 1 45 LEU QD 0.000 . 3.800 2.830 1.776 3.665 . 0 0 "[ . 1 . 2]" 1
843 1 42 ILE MG 1 45 LEU QD 0.000 . 5.500 4.164 3.241 4.831 . 0 0 "[ . 1 . 2]" 1
844 1 42 ILE QG 1 45 LEU QD 0.000 . 5.500 2.798 2.043 4.271 . 0 0 "[ . 1 . 2]" 1
845 1 42 ILE MG 1 68 TYR QE 0.000 . 3.800 3.470 2.571 3.814 0.014 10 0 "[ . 1 . 2]" 1
846 1 42 ILE MG 1 68 TYR QD 0.000 . 5.500 3.502 1.881 4.319 . 0 0 "[ . 1 . 2]" 1
847 1 42 ILE MD 1 68 TYR QE 0.000 . 3.800 2.462 1.768 3.802 0.002 4 0 "[ . 1 . 2]" 1
848 1 42 ILE MD 1 68 TYR QD 0.000 . 5.500 3.311 2.083 4.450 . 0 0 "[ . 1 . 2]" 1
849 1 42 ILE MD 1 66 ASP QB 0.000 . 5.500 4.907 3.134 5.519 0.019 10 0 "[ . 1 . 2]" 1
850 1 42 ILE MD 1 44 GLY QA 0.000 . 5.500 4.445 3.111 5.504 0.004 7 0 "[ . 1 . 2]" 1
851 1 42 ILE MG 1 62 VAL QG 0.000 . 3.800 3.411 2.001 3.808 0.008 16 0 "[ . 1 . 2]" 1
852 1 42 ILE MG 1 62 VAL HB 0.000 . 5.500 5.132 3.781 5.510 0.010 11 0 "[ . 1 . 2]" 1
853 1 44 GLY QA 1 66 ASP QB 0.000 . 3.800 2.471 1.763 3.480 . 0 0 "[ . 1 . 2]" 1
854 1 44 GLY QA 1 62 VAL QG 0.000 . 3.800 2.376 1.715 3.478 . 0 0 "[ . 1 . 2]" 1
855 1 41 LEU QD 1 45 LEU HG 0.000 . 5.500 4.024 2.404 5.046 . 0 0 "[ . 1 . 2]" 1
856 1 41 LEU QD 1 45 LEU QD 0.000 . 5.500 2.334 1.605 3.462 . 0 0 "[ . 1 . 2]" 1
857 1 41 LEU QD 1 46 GLU HA 0.000 . 5.500 4.254 3.244 5.117 . 0 0 "[ . 1 . 2]" 1
858 1 41 LEU QD 1 46 GLU QB 0.000 . 5.500 4.912 3.635 5.463 . 0 0 "[ . 1 . 2]" 1
859 1 41 LEU QD 1 46 GLU QG 0.000 . 3.800 3.483 2.439 3.803 0.003 8 0 "[ . 1 . 2]" 1
860 1 41 LEU QB 1 46 GLU QG 0.000 . 5.500 3.184 1.898 4.462 . 0 0 "[ . 1 . 2]" 1
861 1 45 LEU QD 1 48 ALA HA 0.000 . 5.500 5.127 4.376 5.511 0.011 7 0 "[ . 1 . 2]" 1
862 1 45 LEU QD 1 48 ALA MB 0.000 . 3.800 2.645 1.856 3.162 . 0 0 "[ . 1 . 2]" 1
863 1 48 ALA MB 1 134 VAL QG 0.000 . 5.500 3.654 2.657 4.589 . 0 0 "[ . 1 . 2]" 1
864 1 48 ALA MB 1 58 PHE QE 0.000 . 3.800 2.622 1.850 3.748 . 0 0 "[ . 1 . 2]" 1
865 1 48 ALA MB 1 58 PHE QD 0.000 . 5.500 3.426 2.061 4.566 . 0 0 "[ . 1 . 2]" 1
866 1 48 ALA HA 1 60 VAL QG 0.000 . 5.500 3.942 3.344 4.602 . 0 0 "[ . 1 . 2]" 1
867 1 48 ALA MB 1 60 VAL HB 0.000 . 5.500 3.587 2.772 4.061 . 0 0 "[ . 1 . 2]" 1
868 1 48 ALA MB 1 60 VAL QG 0.000 . 2.800 2.048 1.646 2.637 . 0 0 "[ . 1 . 2]" 1
869 1 45 LEU QD 1 49 LEU HG 0.000 . 5.500 3.657 1.928 5.301 . 0 0 "[ . 1 . 2]" 1
870 1 45 LEU QD 1 49 LEU QD 0.000 . 5.500 2.632 1.901 3.810 . 0 0 "[ . 1 . 2]" 1
871 1 49 LEU QD 1 134 VAL QG 0.000 . 5.500 2.781 1.671 4.025 . 0 0 "[ . 1 . 2]" 1
872 1 49 LEU HG 1 134 VAL QG 0.000 . 5.500 3.799 2.113 5.374 . 0 0 "[ . 1 . 2]" 1
873 1 49 LEU HA 1 134 VAL QG 0.000 . 5.500 4.259 3.394 5.022 . 0 0 "[ . 1 . 2]" 1
874 1 49 LEU QB 1 134 VAL QG 0.000 . 5.500 4.485 3.118 5.212 . 0 0 "[ . 1 . 2]" 1
875 1 41 LEU QD 1 49 LEU QD 0.000 . 3.800 2.959 1.910 3.808 0.008 19 0 "[ . 1 . 2]" 1
876 1 41 LEU QD 1 49 LEU HG 0.000 . 5.500 4.554 1.755 5.497 . 0 0 "[ . 1 . 2]" 1
877 1 3 VAL QG 1 49 LEU QD 0.000 . 5.500 2.187 1.633 2.753 . 0 0 "[ . 1 . 2]" 1
878 1 3 VAL QG 1 49 LEU HG 0.000 . 5.500 3.854 1.846 4.752 . 0 0 "[ . 1 . 2]" 1
879 1 3 VAL QG 1 49 LEU QB 0.000 . 3.800 2.500 1.865 3.440 . 0 0 "[ . 1 . 2]" 1
880 1 3 VAL QG 1 49 LEU HA 0.000 . 3.800 3.729 3.501 3.811 0.011 16 0 "[ . 1 . 2]" 1
881 1 3 VAL HA 1 50 GLU HA 0.000 . 5.500 5.279 4.685 5.503 0.003 7 0 "[ . 1 . 2]" 1
882 1 3 VAL HB 1 50 GLU HA 0.000 . 3.800 3.472 2.128 3.824 0.024 1 0 "[ . 1 . 2]" 1
883 1 3 VAL QG 1 50 GLU HA 0.000 . 2.800 1.954 1.699 2.588 . 0 0 "[ . 1 . 2]" 1
884 1 3 VAL QG 1 50 GLU QB 0.000 . 3.800 3.508 3.179 3.804 0.004 5 0 "[ . 1 . 2]" 1
885 1 3 VAL QG 1 50 GLU QG 0.000 . 3.800 3.227 2.690 3.803 0.003 11 0 "[ . 1 . 2]" 1
886 1 50 GLU HA 1 51 GLY QA 0.000 . 5.500 4.011 3.980 4.042 . 0 0 "[ . 1 . 2]" 1
887 1 2 LYS QB 1 50 GLU HA 0.000 . 5.500 5.006 4.021 5.499 . 0 0 "[ . 1 . 2]" 1
888 1 2 LYS QG 1 50 GLU QG 0.000 . 5.500 4.814 3.762 5.504 0.004 1 0 "[ . 1 . 2]" 1
889 1 2 LYS QD 1 50 GLU QG 0.000 . 5.500 4.782 3.177 5.503 0.003 6 0 "[ . 1 . 2]" 1
890 1 49 LEU H 1 50 GLU HA 0.000 . 5.500 4.237 3.497 4.843 . 0 0 "[ . 1 . 2]" 1
891 1 49 LEU H 1 50 GLU QB 0.000 . 5.500 4.041 3.821 4.313 . 0 0 "[ . 1 . 2]" 1
892 1 49 LEU H 1 50 GLU QG 0.000 . 5.500 4.965 4.497 5.355 . 0 0 "[ . 1 . 2]" 1
893 1 3 VAL QG 1 51 GLY QA 0.000 . 5.500 4.172 3.632 4.606 . 0 0 "[ . 1 . 2]" 1
894 1 2 LYS QB 1 51 GLY QA 0.000 . 3.800 2.500 1.837 3.786 . 0 0 "[ . 1 . 2]" 1
895 1 2 LYS QG 1 51 GLY QA 0.000 . 3.800 2.866 1.820 3.810 0.010 16 0 "[ . 1 . 2]" 1
896 1 2 LYS QD 1 51 GLY QA 0.000 . 3.800 2.192 1.778 3.799 . 0 0 "[ . 1 . 2]" 1
897 1 2 LYS QE 1 51 GLY QA 0.000 . 3.800 3.366 1.864 3.801 0.001 13 0 "[ . 1 . 2]" 1
898 1 3 VAL QG 1 52 HIS HA 0.000 . 5.500 5.423 4.782 5.508 0.008 1 0 "[ . 1 . 2]" 1
899 1 49 LEU HA 1 52 HIS HD2 0.000 . 3.800 2.569 1.836 3.551 . 0 0 "[ . 1 . 2]" 1
900 1 49 LEU QD 1 52 HIS HD2 0.000 . 3.800 2.674 1.916 3.561 . 0 0 "[ . 1 . 2]" 1
901 1 54 VAL HA 1 136 VAL HB 0.000 . 5.500 3.118 2.037 4.664 . 0 0 "[ . 1 . 2]" 1
902 1 54 VAL HA 1 136 VAL QG 0.000 . 5.500 2.162 1.718 2.917 . 0 0 "[ . 1 . 2]" 1
903 1 54 VAL QG 1 136 VAL QG 0.000 . 5.500 2.587 1.912 3.131 . 0 0 "[ . 1 . 2]" 1
904 1 54 VAL HA 1 55 GLY QA 0.000 . 3.800 3.939 3.937 3.946 0.146 5 0 "[ . 1 . 2]" 1
905 1 54 VAL QG 1 55 GLY QA 0.000 . 5.500 3.351 2.976 3.819 . 0 0 "[ . 1 . 2]" 1
906 1 57 LYS HA 1 135 GLU HA 0.000 . 2.800 2.050 1.860 2.320 . 0 0 "[ . 1 . 2]" 1
907 1 57 LYS HA 1 135 GLU QB 0.000 . 5.500 3.218 2.311 3.955 . 0 0 "[ . 1 . 2]" 1
908 1 57 LYS HA 1 135 GLU QG 0.000 . 5.500 3.206 2.082 4.870 . 0 0 "[ . 1 . 2]" 1
909 1 57 LYS QG 1 135 GLU QG 0.000 . 5.500 3.669 1.788 5.439 . 0 0 "[ . 1 . 2]" 1
910 1 57 LYS HA 1 134 VAL HB 0.000 . 5.500 5.273 4.330 5.508 0.008 16 0 "[ . 1 . 2]" 1
911 1 57 LYS HA 1 134 VAL QG 0.000 . 5.500 4.311 3.269 5.081 . 0 0 "[ . 1 . 2]" 1
912 1 58 PHE QD 1 134 VAL QG 0.000 . 5.500 3.669 2.742 4.646 . 0 0 "[ . 1 . 2]" 1
913 1 58 PHE QE 1 134 VAL QG 0.000 . 5.500 3.605 1.853 5.509 0.009 20 0 "[ . 1 . 2]" 1
914 1 58 PHE QD 1 60 VAL QG 0.000 . 5.500 2.333 1.726 4.093 . 0 0 "[ . 1 . 2]" 1
915 1 58 PHE QE 1 60 VAL QG 0.000 . 5.500 2.336 1.758 3.516 . 0 0 "[ . 1 . 2]" 1
916 1 58 PHE HZ 1 60 VAL QG 0.000 . 5.500 3.972 2.853 4.900 . 0 0 "[ . 1 . 2]" 1
917 1 59 ASP HA 1 133 ASN HA 0.000 . 2.800 1.979 1.858 2.304 . 0 0 "[ . 1 . 2]" 1
918 1 59 ASP HA 1 133 ASN QB 0.000 . 5.500 3.579 2.442 4.239 . 0 0 "[ . 1 . 2]" 1
919 1 45 LEU QD 1 60 VAL HB 0.000 . 5.500 3.683 2.168 5.153 . 0 0 "[ . 1 . 2]" 1
920 1 45 LEU QD 1 60 VAL QG 0.000 . 3.800 2.897 1.971 3.770 . 0 0 "[ . 1 . 2]" 1
921 1 61 ALA HA 1 131 LYS HA 0.000 . 2.800 2.223 1.867 2.775 . 0 0 "[ . 1 . 2]" 1
922 1 61 ALA MB 1 131 LYS HA 0.000 . 5.500 3.215 2.458 3.855 . 0 0 "[ . 1 . 2]" 1
923 1 61 ALA HA 1 131 LYS QG 0.000 . 5.500 3.615 2.168 5.386 . 0 0 "[ . 1 . 2]" 1
924 1 61 ALA HA 1 131 LYS QB 0.000 . 5.500 3.798 2.521 4.905 . 0 0 "[ . 1 . 2]" 1
925 1 61 ALA MB 1 131 LYS QB 0.000 . 5.500 3.441 2.093 5.256 . 0 0 "[ . 1 . 2]" 1
926 1 45 LEU QD 1 62 VAL QG 0.000 . 5.500 3.393 1.847 4.743 . 0 0 "[ . 1 . 2]" 1
927 1 45 LEU QD 1 62 VAL HB 0.000 . 5.500 4.518 2.471 5.507 0.007 17 0 "[ . 1 . 2]" 1
928 1 62 VAL HA 1 66 ASP QB 0.000 . 5.500 4.431 3.665 5.504 0.004 13 0 "[ . 1 . 2]" 1
929 1 63 GLY QA 1 129 ASN QB 0.000 . 5.500 3.645 1.942 4.543 . 0 0 "[ . 1 . 2]" 1
930 1 63 GLY QA 1 66 ASP QB 0.000 . 5.500 5.509 5.494 5.526 0.026 13 0 "[ . 1 . 2]" 1
931 1 63 GLY QA 1 70 GLN QG 0.000 . 5.500 5.184 3.267 5.509 0.009 10 0 "[ . 1 . 2]" 1
932 1 64 ALA MB 1 127 GLY QA 0.000 . 3.800 2.509 1.761 3.804 0.004 20 0 "[ . 1 . 2]" 1
933 1 64 ALA MB 1 65 ASN QB 0.000 . 5.500 3.998 3.727 4.446 . 0 0 "[ . 1 . 2]" 1
934 1 64 ALA MB 1 70 GLN QG 0.000 . 5.500 3.656 1.640 5.504 0.004 11 0 "[ . 1 . 2]" 1
935 1 64 ALA MB 1 70 GLN QB 0.000 . 5.500 4.272 2.389 5.511 0.011 6 0 "[ . 1 . 2]" 1
936 1 64 ALA MB 1 129 ASN QB 0.000 . 5.500 3.363 2.107 4.916 . 0 0 "[ . 1 . 2]" 1
937 1 63 GLY QA 1 64 ALA MB 0.000 . 3.800 3.776 3.708 3.831 0.031 16 0 "[ . 1 . 2]" 1
938 1 63 GLY QA 1 64 ALA HA 0.000 . 5.500 4.016 4.003 4.031 . 0 0 "[ . 1 . 2]" 1
939 1 64 ALA MB 1 130 LEU QD 0.000 . 5.500 4.297 3.858 5.110 . 0 0 "[ . 1 . 2]" 1
940 1 64 ALA HA 1 130 LEU QD 0.000 . 5.500 4.933 4.346 5.490 . 0 0 "[ . 1 . 2]" 1
941 1 45 LEU QD 1 67 ALA MB 0.000 . 5.500 4.670 2.808 5.303 . 0 0 "[ . 1 . 2]" 1
942 1 42 ILE MG 1 67 ALA MB 0.000 . 3.800 2.739 1.720 3.239 . 0 0 "[ . 1 . 2]" 1
943 1 42 ILE HB 1 67 ALA MB 0.000 . 5.500 3.890 2.667 4.930 . 0 0 "[ . 1 . 2]" 1
944 1 42 ILE MD 1 67 ALA MB 0.000 . 3.800 2.240 1.665 3.811 0.011 7 0 "[ . 1 . 2]" 1
945 1 42 ILE MG 1 67 ALA HA 0.000 . 3.800 1.879 1.690 2.430 . 0 0 "[ . 1 . 2]" 1
946 1 42 ILE MD 1 67 ALA HA 0.000 . 3.800 2.537 1.744 3.247 . 0 0 "[ . 1 . 2]" 1
947 1 42 ILE HA 1 67 ALA HA 0.000 . 5.500 4.548 2.053 5.333 . 0 0 "[ . 1 . 2]" 1
948 1 42 ILE HB 1 67 ALA HA 0.000 . 3.800 3.328 1.887 3.813 0.013 10 0 "[ . 1 . 2]" 1
949 1 67 ALA MB 1 68 TYR QE 0.000 . 3.800 3.506 2.388 3.805 0.005 20 0 "[ . 1 . 2]" 1
950 1 67 ALA MB 1 68 TYR QD 0.000 . 5.500 3.034 1.758 3.603 . 0 0 "[ . 1 . 2]" 1
951 1 67 ALA MB 1 68 TYR QB 0.000 . 5.500 3.692 3.277 4.593 . 0 0 "[ . 1 . 2]" 1
952 1 67 ALA MB 1 68 TYR HA 0.000 . 5.500 4.080 3.795 4.969 . 0 0 "[ . 1 . 2]" 1
953 1 67 ALA MB 1 130 LEU QD 0.000 . 5.500 3.200 2.398 4.246 . 0 0 "[ . 1 . 2]" 1
954 1 67 ALA MB 1 130 LEU QB 0.000 . 5.500 4.363 2.800 5.507 0.007 19 0 "[ . 1 . 2]" 1
955 1 66 ASP QB 1 67 ALA MB 0.000 . 5.500 3.888 3.554 4.245 . 0 0 "[ . 1 . 2]" 1
956 1 44 GLY QA 1 67 ALA MB 0.000 . 5.500 4.537 3.865 5.437 . 0 0 "[ . 1 . 2]" 1
957 1 64 ALA MB 1 67 ALA MB 0.000 . 5.500 5.057 4.649 5.377 . 0 0 "[ . 1 . 2]" 1
958 1 42 ILE MG 1 68 TYR HA 0.000 . 5.500 4.544 3.504 5.505 0.005 10 0 "[ . 1 . 2]" 1
959 1 42 ILE MD 1 68 TYR HA 0.000 . 5.500 5.094 3.825 5.505 0.005 18 0 "[ . 1 . 2]" 1
960 1 68 TYR QE 1 130 LEU QD 0.000 . 3.800 3.118 1.667 3.800 0.000 11 0 "[ . 1 . 2]" 1
961 1 68 TYR QD 1 130 LEU QD 0.000 . 5.500 2.841 2.012 4.113 . 0 0 "[ . 1 . 2]" 1
962 1 68 TYR HA 1 130 LEU QD 0.000 . 5.500 5.341 4.325 5.511 0.011 10 0 "[ . 1 . 2]" 1
963 1 71 TYR QD 1 73 GLU QG 0.000 . 3.800 2.991 1.833 3.836 0.036 10 0 "[ . 1 . 2]" 1
964 1 71 TYR QE 1 73 GLU QG 0.000 . 3.800 3.041 1.850 3.810 0.010 17 0 "[ . 1 . 2]" 1
965 1 71 TYR QE 1 73 GLU QB 0.000 . 5.500 4.506 2.175 5.503 0.003 13 0 "[ . 1 . 2]" 1
966 1 72 ASP HA 1 75 LEU QD 0.000 . 5.500 4.738 3.344 5.504 0.004 11 0 "[ . 1 . 2]" 1
967 1 72 ASP QB 1 75 LEU QD 0.000 . 3.800 2.968 1.549 3.851 0.051 13 0 "[ . 1 . 2]" 1
968 1 72 ASP QB 1 75 LEU HG 0.000 . 5.500 4.423 3.185 5.549 0.049 13 0 "[ . 1 . 2]" 1
969 1 72 ASP QB 1 75 LEU QB 0.000 . 5.500 3.689 1.837 5.525 0.025 3 0 "[ . 1 . 2]" 1
970 1 76 VAL HA 1 120 ASP HA 0.000 . 2.800 2.637 2.002 2.814 0.014 9 0 "[ . 1 . 2]" 1
971 1 78 ARG HA 1 118 VAL HA 0.000 . 2.800 2.184 1.816 2.749 . 0 0 "[ . 1 . 2]" 1
972 1 78 ARG HA 1 118 VAL HB 0.000 . 5.500 4.170 2.864 5.491 . 0 0 "[ . 1 . 2]" 1
973 1 79 VAL HB 1 83 VAL QG 0.000 . 5.500 3.783 1.727 5.507 0.007 16 0 "[ . 1 . 2]" 1
974 1 79 VAL QG 1 83 VAL QG 0.000 . 3.800 2.403 1.599 3.475 . 0 0 "[ . 1 . 2]" 1
975 1 79 VAL HA 1 80 PRO QD 0.000 . 3.800 1.941 1.902 2.004 . 0 0 "[ . 1 . 2]" 1
976 1 79 VAL HA 1 80 PRO QG 0.000 . 5.500 3.845 3.810 3.919 . 0 0 "[ . 1 . 2]" 1
977 1 79 VAL HB 1 80 PRO QD 0.000 . 5.500 3.533 2.476 4.228 . 0 0 "[ . 1 . 2]" 1
978 1 80 PRO HA 1 116 HIS HA 0.000 . 2.800 1.954 1.829 2.609 . 0 0 "[ . 1 . 2]" 1
979 1 80 PRO QB 1 83 VAL QG 0.000 . 5.500 4.249 3.334 4.927 . 0 0 "[ . 1 . 2]" 1
980 1 80 PRO QG 1 83 VAL QG 0.000 . 5.500 2.991 1.866 4.470 . 0 0 "[ . 1 . 2]" 1
981 1 80 PRO QD 1 83 VAL QG 0.000 . 5.500 2.975 1.799 4.232 . 0 0 "[ . 1 . 2]" 1
982 1 79 VAL QG 1 80 PRO QG 0.000 . 5.500 3.749 2.938 4.544 . 0 0 "[ . 1 . 2]" 1
983 1 79 VAL QG 1 80 PRO QD 0.000 . 5.500 2.461 1.712 3.177 . 0 0 "[ . 1 . 2]" 1
984 1 81 LYS QD 1 90 LEU QD 0.000 . 5.500 3.850 2.207 5.488 . 0 0 "[ . 1 . 2]" 1
985 1 81 LYS QG 1 90 LEU QD 0.000 . 5.500 3.649 2.261 5.171 . 0 0 "[ . 1 . 2]" 1
986 1 83 VAL QG 1 84 PHE QD 0.000 . 5.500 3.206 1.702 4.321 . 0 0 "[ . 1 . 2]" 1
987 1 83 VAL QG 1 84 PHE QE 0.000 . 5.500 3.869 2.135 5.505 0.005 15 0 "[ . 1 . 2]" 1
988 1 84 PHE QB 1 90 LEU QD 0.000 . 3.800 3.290 2.778 3.804 0.004 1 0 "[ . 1 . 2]" 1
989 1 84 PHE QD 1 90 LEU QD 0.000 . 3.800 2.235 1.744 2.809 . 0 0 "[ . 1 . 2]" 1
990 1 84 PHE QE 1 90 LEU QD 0.000 . 5.500 2.281 1.802 3.010 . 0 0 "[ . 1 . 2]" 1
991 1 84 PHE QB 1 87 VAL QG 0.000 . 3.800 2.506 1.691 3.402 . 0 0 "[ . 1 . 2]" 1
992 1 84 PHE QB 1 87 VAL HB 0.000 . 5.500 3.567 1.894 5.466 . 0 0 "[ . 1 . 2]" 1
993 1 87 VAL HA 1 90 LEU QD 0.000 . 3.800 3.485 2.189 3.832 0.032 20 0 "[ . 1 . 2]" 1
994 1 87 VAL QG 1 90 LEU QD 0.000 . 3.800 1.976 1.547 3.112 . 0 0 "[ . 1 . 2]" 1
995 1 87 VAL HB 1 90 LEU QD 0.000 . 5.500 2.624 1.705 4.450 . 0 0 "[ . 1 . 2]" 1
996 1 84 PHE QD 1 87 VAL HB 0.000 . 5.500 3.622 2.516 4.353 . 0 0 "[ . 1 . 2]" 1
997 1 84 PHE QE 1 87 VAL HB 0.000 . 5.500 5.283 4.473 5.503 0.003 4 0 "[ . 1 . 2]" 1
998 1 84 PHE QD 1 87 VAL QG 0.000 . 5.500 2.663 1.737 3.767 . 0 0 "[ . 1 . 2]" 1
999 1 84 PHE QE 1 87 VAL QG 0.000 . 5.500 3.988 2.640 5.081 . 0 0 "[ . 1 . 2]" 1
1000 1 90 LEU QD 1 117 VAL QG 0.000 . 3.800 2.890 2.006 3.801 0.001 1 0 "[ . 1 . 2]" 1
1001 1 92 VAL HA 1 93 GLY QA 0.000 . 5.500 4.018 3.987 4.055 . 0 0 "[ . 1 . 2]" 1
1002 1 92 VAL HB 1 93 GLY QA 0.000 . 5.500 4.918 4.070 5.356 . 0 0 "[ . 1 . 2]" 1
1003 1 92 VAL QG 1 93 GLY QA 0.000 . 5.500 3.169 2.948 3.722 . 0 0 "[ . 1 . 2]" 1
1004 1 94 MET ME 1 96 PHE QE 0.000 . 3.800 3.653 3.154 3.801 0.001 14 0 "[ . 1 . 2]" 1
1005 1 94 MET ME 1 96 PHE QD 0.000 . 3.800 2.337 1.883 3.264 . 0 0 "[ . 1 . 2]" 1
1006 1 94 MET ME 1 109 ILE MD 0.000 . 5.500 2.894 1.781 4.852 . 0 0 "[ . 1 . 2]" 1
1007 1 94 MET ME 1 109 ILE MG 0.000 . 5.500 4.122 2.907 5.025 . 0 0 "[ . 1 . 2]" 1
1008 1 94 MET QB 1 109 ILE MD 0.000 . 3.800 3.010 1.802 3.803 0.003 5 0 "[ . 1 . 2]" 1
1009 1 90 LEU QD 1 94 MET ME 0.000 . 2.800 2.359 1.879 2.800 . 0 0 "[ . 1 . 2]" 1
1010 1 92 VAL H 1 94 MET ME 0.000 . 5.500 4.230 3.398 5.305 . 0 0 "[ . 1 . 2]" 1
1011 1 95 ARG HA 1 108 GLU QG 0.000 . 5.500 3.331 2.208 4.776 . 0 0 "[ . 1 . 2]" 1
1012 1 95 ARG HA 1 108 GLU QB 0.000 . 5.500 4.064 2.727 4.909 . 0 0 "[ . 1 . 2]" 1
1013 1 95 ARG QD 1 108 GLU QG 0.000 . 5.500 3.808 1.800 5.073 . 0 0 "[ . 1 . 2]" 1
1014 1 95 ARG QG 1 108 GLU QG 0.000 . 5.500 3.193 1.719 5.278 . 0 0 "[ . 1 . 2]" 1
1015 1 90 LEU QD 1 96 PHE QD 0.000 . 5.500 3.360 2.717 4.599 . 0 0 "[ . 1 . 2]" 1
1016 1 90 LEU QD 1 96 PHE QE 0.000 . 3.800 3.163 2.230 3.804 0.004 16 0 "[ . 1 . 2]" 1
1017 1 90 LEU QD 1 96 PHE HZ 0.000 . 5.500 4.285 2.907 5.494 . 0 0 "[ . 1 . 2]" 1
1018 1 96 PHE QB 1 107 VAL QG 0.000 . 5.500 2.799 1.709 4.957 . 0 0 "[ . 1 . 2]" 1
1019 1 96 PHE QD 1 107 VAL QG 0.000 . 5.500 2.458 1.843 3.557 . 0 0 "[ . 1 . 2]" 1
1020 1 96 PHE QE 1 107 VAL QG 0.000 . 5.500 3.302 1.940 3.933 . 0 0 "[ . 1 . 2]" 1
1021 1 96 PHE HZ 1 107 VAL QG 0.000 . 5.500 4.419 2.044 5.504 0.004 7 0 "[ . 1 . 2]" 1
1022 1 98 ALA MB 1 105 VAL QG 0.000 . 5.500 2.945 1.756 3.874 . 0 0 "[ . 1 . 2]" 1
1023 1 98 ALA MB 1 107 VAL QG 0.000 . 5.500 2.034 1.611 2.396 . 0 0 "[ . 1 . 2]" 1
1024 1 99 GLU HA 1 104 PRO HA 0.000 . 2.800 2.288 1.948 2.801 0.001 7 0 "[ . 1 . 2]" 1
1025 1 100 THR MG 1 105 VAL QG 0.000 . 5.500 3.257 1.930 4.150 . 0 0 "[ . 1 . 2]" 1
1026 1 100 THR MG 1 107 VAL QG 0.000 . 5.500 4.822 3.869 5.501 0.001 10 0 "[ . 1 . 2]" 1
1027 1 102 GLN QB 1 105 VAL QG 0.000 . 5.500 4.087 2.535 5.499 . 0 0 "[ . 1 . 2]" 1
1028 1 102 GLN QG 1 105 VAL QG 0.000 . 5.500 3.697 2.493 5.153 . 0 0 "[ . 1 . 2]" 1
1029 1 103 GLY QA 1 104 PRO QB 0.000 . 5.500 4.274 4.267 4.289 . 0 0 "[ . 1 . 2]" 1
1030 1 103 GLY QA 1 104 PRO QG 0.000 . 5.500 3.707 3.677 3.725 . 0 0 "[ . 1 . 2]" 1
1031 1 99 GLU QG 1 104 PRO HA 0.000 . 5.500 3.404 2.651 4.428 . 0 0 "[ . 1 . 2]" 1
1032 1 104 PRO HA 1 105 VAL HB 0.000 . 5.500 4.684 4.403 5.547 0.047 13 0 "[ . 1 . 2]" 1
1033 1 104 PRO HA 1 105 VAL QG 0.000 . 5.500 3.497 2.879 3.799 . 0 0 "[ . 1 . 2]" 1
1034 1 104 PRO QB 1 105 VAL QG 0.000 . 5.500 4.243 3.823 4.623 . 0 0 "[ . 1 . 2]" 1
1035 1 104 PRO QG 1 105 VAL QG 0.000 . 5.500 4.551 4.224 5.290 . 0 0 "[ . 1 . 2]" 1
1036 1 105 VAL QG 1 107 VAL QG 0.000 . 5.500 2.559 2.056 3.235 . 0 0 "[ . 1 . 2]" 1
1037 1 105 VAL HB 1 107 VAL QG 0.000 . 5.500 3.754 2.666 5.330 . 0 0 "[ . 1 . 2]" 1
1038 1 97 LEU HA 1 106 PRO HA 0.000 . 3.800 2.259 1.865 3.067 . 0 0 "[ . 1 . 2]" 1
1039 1 95 ARG HA 1 108 GLU HA 0.000 . 2.800 2.398 1.864 2.801 0.001 9 0 "[ . 1 . 2]" 1
1040 1 95 ARG QB 1 108 GLU HA 0.000 . 5.500 3.657 1.794 4.622 . 0 0 "[ . 1 . 2]" 1
1041 1 95 ARG QG 1 108 GLU HA 0.000 . 5.500 3.545 2.324 5.199 . 0 0 "[ . 1 . 2]" 1
1042 1 107 VAL QG 1 108 GLU HA 0.000 . 5.500 3.669 3.325 4.143 . 0 0 "[ . 1 . 2]" 1
1043 1 109 ILE HA 1 119 VAL HA 0.000 . 2.800 2.507 1.960 2.806 0.006 7 0 "[ . 1 . 2]" 1
1044 1 109 ILE HA 1 119 VAL QG 0.000 . 5.500 2.438 1.788 3.913 . 0 0 "[ . 1 . 2]" 1
1045 1 109 ILE MD 1 119 VAL QG 0.000 . 3.800 3.055 1.795 3.803 0.003 13 0 "[ . 1 . 2]" 1
1046 1 109 ILE MG 1 119 VAL QG 0.000 . 3.800 3.213 2.145 3.808 0.008 19 0 "[ . 1 . 2]" 1
1047 1 109 ILE MG 1 119 VAL HB 0.000 . 5.500 4.585 3.121 5.502 0.002 7 0 "[ . 1 . 2]" 1
1048 1 109 ILE MD 1 119 VAL HB 0.000 . 5.500 4.654 3.569 5.507 0.007 18 0 "[ . 1 . 2]" 1
1049 1 84 PHE QD 1 109 ILE MD 0.000 . 5.500 5.202 4.478 5.504 0.004 13 0 "[ . 1 . 2]" 1
1050 1 84 PHE QE 1 109 ILE MD 0.000 . 5.500 3.853 2.788 5.508 0.008 15 0 "[ . 1 . 2]" 1
1051 1 90 LEU HG 1 109 ILE MD 0.000 . 5.500 3.321 2.511 4.179 . 0 0 "[ . 1 . 2]" 1
1052 1 90 LEU HG 1 109 ILE MG 0.000 . 5.500 4.130 3.192 5.406 . 0 0 "[ . 1 . 2]" 1
1053 1 110 THR MG 1 120 ASP QB 0.000 . 3.800 3.451 1.946 3.806 0.006 18 0 "[ . 1 . 2]" 1
1054 1 110 THR MG 1 120 ASP HA 0.000 . 5.500 5.007 3.899 5.499 . 0 0 "[ . 1 . 2]" 1
1055 1 92 VAL QG 1 111 ALA MB 0.000 . 5.500 4.105 2.949 5.503 0.003 5 0 "[ . 1 . 2]" 1
1056 1 111 ALA MB 1 118 VAL QG 0.000 . 5.500 2.203 1.589 3.592 . 0 0 "[ . 1 . 2]" 1
1057 1 112 VAL HA 1 117 VAL HA 0.000 . 2.800 2.429 1.861 2.732 . 0 0 "[ . 1 . 2]" 1
1058 1 112 VAL HA 1 117 VAL HB 0.000 . 5.500 4.054 2.573 5.482 . 0 0 "[ . 1 . 2]" 1
1059 1 112 VAL QG 1 117 VAL QG 0.000 . 5.500 2.079 1.578 3.031 . 0 0 "[ . 1 . 2]" 1
1060 1 90 LEU QD 1 112 VAL QG 0.000 . 5.500 3.967 2.006 5.493 . 0 0 "[ . 1 . 2]" 1
1061 1 80 PRO QG 1 116 HIS HA 0.000 . 3.800 3.773 3.546 3.817 0.017 18 0 "[ . 1 . 2]" 1
1062 1 80 PRO QB 1 116 HIS HA 0.000 . 3.800 1.924 1.806 2.214 . 0 0 "[ . 1 . 2]" 1
1063 1 78 ARG QD 1 118 VAL HB 0.000 . 5.500 4.539 2.718 5.499 . 0 0 "[ . 1 . 2]" 1
1064 1 109 ILE MG 1 119 VAL HA 0.000 . 5.500 4.299 3.384 5.260 . 0 0 "[ . 1 . 2]" 1
1065 1 109 ILE MD 1 119 VAL HA 0.000 . 5.500 4.888 3.429 5.505 0.005 3 0 "[ . 1 . 2]" 1
1066 1 107 VAL QG 1 119 VAL QG 0.000 . 3.800 2.071 1.584 2.706 . 0 0 "[ . 1 . 2]" 1
1067 1 107 VAL QG 1 119 VAL HB 0.000 . 3.800 3.326 1.725 3.821 0.021 14 0 "[ . 1 . 2]" 1
1068 1 107 VAL QG 1 119 VAL HA 0.000 . 5.500 4.652 3.671 5.459 . 0 0 "[ . 1 . 2]" 1
1069 1 107 VAL HB 1 119 VAL HA 0.000 . 5.500 4.642 4.207 5.506 0.006 18 0 "[ . 1 . 2]" 1
1070 1 107 VAL HB 1 119 VAL HB 0.000 . 5.500 3.220 1.878 4.482 . 0 0 "[ . 1 . 2]" 1
1071 1 76 VAL QG 1 120 ASP QB 0.000 . 3.800 2.623 1.693 3.822 0.022 18 0 "[ . 1 . 2]" 1
1072 1 76 VAL QG 1 120 ASP HA 0.000 . 5.500 3.088 1.764 4.135 . 0 0 "[ . 1 . 2]" 1
1073 1 71 TYR QB 1 126 ALA MB 0.000 . 3.800 2.861 1.514 3.821 0.021 2 0 "[ . 1 . 2]" 1
1074 1 71 TYR QD 1 126 ALA MB 0.000 . 3.800 2.268 1.790 3.347 . 0 0 "[ . 1 . 2]" 1
1075 1 71 TYR QE 1 126 ALA MB 0.000 . 3.800 3.362 1.980 3.834 0.034 20 0 "[ . 1 . 2]" 1
1076 1 123 HIS QB 1 126 ALA MB 0.000 . 3.800 3.224 1.807 3.810 0.010 10 0 "[ . 1 . 2]" 1
1077 1 122 ASN QB 1 126 ALA MB 0.000 . 5.500 4.829 3.382 5.516 0.016 10 0 "[ . 1 . 2]" 1
1078 1 63 GLY QA 1 129 ASN HA 0.000 . 3.800 2.325 1.830 3.824 0.024 6 0 "[ . 1 . 2]" 1
1079 1 15 VAL QG 1 130 LEU QD 0.000 . 3.800 2.289 1.586 3.169 . 0 0 "[ . 1 . 2]" 1
1080 1 15 VAL QG 1 130 LEU QB 0.000 . 5.500 2.636 1.866 3.669 . 0 0 "[ . 1 . 2]" 1
1081 1 15 VAL QG 1 130 LEU HA 0.000 . 5.500 4.384 3.511 5.503 0.003 11 0 "[ . 1 . 2]" 1
1082 1 15 VAL QG 1 132 PHE HA 0.000 . 5.500 3.629 2.957 3.876 . 0 0 "[ . 1 . 2]" 1
1083 1 45 LEU QD 1 132 PHE QE 0.000 . 5.500 2.280 1.738 4.597 . 0 0 "[ . 1 . 2]" 1
1084 1 45 LEU QD 1 132 PHE QD 0.000 . 5.500 3.334 1.788 4.504 . 0 0 "[ . 1 . 2]" 1
1085 1 45 LEU QD 1 132 PHE QB 0.000 . 5.500 4.435 2.513 5.503 0.003 2 0 "[ . 1 . 2]" 1
1086 1 132 PHE HA 1 134 VAL QG 0.000 . 5.500 4.893 4.011 5.230 . 0 0 "[ . 1 . 2]" 1
1087 1 132 PHE QB 1 134 VAL QG 0.000 . 3.800 3.623 3.107 3.810 0.010 11 0 "[ . 1 . 2]" 1
1088 1 45 LEU QD 1 134 VAL QG 0.000 . 3.800 1.981 1.491 3.590 . 0 0 "[ . 1 . 2]" 1
1089 1 45 LEU QD 1 134 VAL HB 0.000 . 5.500 3.530 2.856 5.461 . 0 0 "[ . 1 . 2]" 1
1090 1 54 VAL QG 1 136 VAL HB 0.000 . 5.500 4.042 3.333 5.502 0.002 13 0 "[ . 1 . 2]" 1
1091 1 10 SER HA 1 138 ALA MB 0.000 . 5.500 5.436 5.062 5.510 0.010 6 0 "[ . 1 . 2]" 1
1092 1 10 SER QB 1 138 ALA MB 0.000 . 3.800 3.465 2.925 3.809 0.009 5 0 "[ . 1 . 2]" 1
1093 1 8 VAL QG 1 138 ALA MB 0.000 . 3.800 3.812 3.804 3.826 0.026 17 0 "[ . 1 . 2]" 1
1094 1 54 VAL QG 1 138 ALA MB 0.000 . 5.500 3.510 2.850 4.794 . 0 0 "[ . 1 . 2]" 1
1095 1 3 VAL QG 1 139 ILE MG 0.000 . 3.800 1.975 1.650 2.534 . 0 0 "[ . 1 . 2]" 1
1096 1 3 VAL QG 1 139 ILE MD 0.000 . 3.800 1.805 1.595 2.754 . 0 0 "[ . 1 . 2]" 1
1097 1 54 VAL QG 1 139 ILE MD 0.000 . 3.800 2.716 1.733 3.801 0.001 13 0 "[ . 1 . 2]" 1
1098 1 54 VAL QG 1 139 ILE MG 0.000 . 5.500 4.039 1.956 5.246 . 0 0 "[ . 1 . 2]" 1
1099 1 9 VAL QG 1 139 ILE MD 0.000 . 5.500 2.753 2.112 3.533 . 0 0 "[ . 1 . 2]" 1
1100 1 9 VAL QG 1 139 ILE MG 0.000 . 5.500 2.329 1.605 3.589 . 0 0 "[ . 1 . 2]" 1
1101 1 1 MET QG 1 139 ILE HB 0.000 . 5.500 3.698 2.783 4.384 . 0 0 "[ . 1 . 2]" 1
1102 1 1 MET QG 1 139 ILE MG 0.000 . 3.800 3.328 2.431 3.813 0.013 6 0 "[ . 1 . 2]" 1
1103 1 1 MET QG 1 139 ILE MD 0.000 . 3.800 3.345 1.667 3.806 0.006 3 0 "[ . 1 . 2]" 1
1104 1 2 LYS QB 1 139 ILE MD 0.000 . 5.500 4.225 3.686 4.687 . 0 0 "[ . 1 . 2]" 1
1105 1 2 LYS QG 1 139 ILE MD 0.000 . 5.500 4.527 3.801 5.480 . 0 0 "[ . 1 . 2]" 1
1106 1 2 LYS QD 1 139 ILE MD 0.000 . 5.500 5.188 3.514 5.518 0.018 9 0 "[ . 1 . 2]" 1
1107 1 2 LYS QE 1 139 ILE MD 0.000 . 5.500 5.313 4.647 5.512 0.012 14 0 "[ . 1 . 2]" 1
1108 1 49 LEU QD 1 139 ILE MD 0.000 . 5.500 4.109 2.509 5.245 . 0 0 "[ . 1 . 2]" 1
1109 1 7 LEU HA 1 141 GLU HA 0.000 . 2.800 2.018 1.838 2.473 . 0 0 "[ . 1 . 2]" 1
1110 1 7 LEU QD 1 141 GLU QB 0.000 . 5.500 2.839 2.069 4.391 . 0 0 "[ . 1 . 2]" 1
1111 1 7 LEU QD 1 141 GLU QG 0.000 . 5.500 2.723 1.653 4.198 . 0 0 "[ . 1 . 2]" 1
1112 1 35 LEU QD 1 141 GLU HA 0.000 . 5.500 4.519 3.908 5.105 . 0 0 "[ . 1 . 2]" 1
1113 1 35 LEU QD 1 142 ALA HA 0.000 . 5.500 4.431 4.086 4.859 . 0 0 "[ . 1 . 2]" 1
1114 1 35 LEU QD 1 142 ALA MB 0.000 . 2.800 2.198 1.905 2.593 . 0 0 "[ . 1 . 2]" 1
1115 1 142 ALA HA 1 147 LEU QD 0.000 . 3.800 3.756 3.437 3.823 0.023 15 0 "[ . 1 . 2]" 1
1116 1 142 ALA MB 1 147 LEU QD 0.000 . 2.800 1.724 1.577 2.127 . 0 0 "[ . 1 . 2]" 1
1117 1 142 ALA MB 1 147 LEU HG 0.000 . 5.500 3.242 2.188 3.904 . 0 0 "[ . 1 . 2]" 1
1118 1 142 ALA MB 1 147 LEU HA 0.000 . 5.500 3.641 3.215 4.071 . 0 0 "[ . 1 . 2]" 1
1119 1 6 ASP QB 1 142 ALA MB 0.000 . 5.500 4.372 3.286 5.204 . 0 0 "[ . 1 . 2]" 1
1120 1 6 ASP HA 1 142 ALA MB 0.000 . 5.500 3.915 2.586 4.539 . 0 0 "[ . 1 . 2]" 1
1121 1 8 VAL QG 1 142 ALA MB 0.000 . 3.800 2.786 1.834 3.759 . 0 0 "[ . 1 . 2]" 1
1122 1 8 VAL QG 1 142 ALA HA 0.000 . 5.500 3.261 2.473 4.595 . 0 0 "[ . 1 . 2]" 1
1123 1 142 ALA MB 1 151 HIS QB 0.000 . 5.500 5.479 5.250 5.513 0.013 11 0 "[ . 1 . 2]" 1
1124 1 142 ALA MB 1 152 VAL HA 0.000 . 5.500 3.854 2.921 5.495 . 0 0 "[ . 1 . 2]" 1
1125 1 142 ALA MB 1 152 VAL HB 0.000 . 5.500 4.183 2.658 5.488 . 0 0 "[ . 1 . 2]" 1
1126 1 142 ALA MB 1 152 VAL QG 0.000 . 5.500 3.215 2.401 3.990 . 0 0 "[ . 1 . 2]" 1
1127 1 142 ALA MB 1 146 GLU QG 0.000 . 5.500 2.876 2.454 3.352 . 0 0 "[ . 1 . 2]" 1
1128 1 142 ALA MB 1 146 GLU QB 0.000 . 5.500 1.595 1.565 1.655 . 0 0 "[ . 1 . 2]" 1
1129 1 142 ALA MB 1 146 GLU HA 0.000 . 5.500 3.807 3.621 3.983 . 0 0 "[ . 1 . 2]" 1
1130 1 35 LEU QD 1 146 GLU HA 0.000 . 5.500 4.446 3.965 4.858 . 0 0 "[ . 1 . 2]" 1
1131 1 35 LEU QD 1 146 GLU QB 0.000 . 5.500 3.216 2.685 3.558 . 0 0 "[ . 1 . 2]" 1
1132 1 35 LEU QD 1 147 LEU HA 0.000 . 3.800 2.084 1.730 2.315 . 0 0 "[ . 1 . 2]" 1
1133 1 35 LEU QD 1 147 LEU QB 0.000 . 5.500 3.373 2.939 3.713 . 0 0 "[ . 1 . 2]" 1
1134 1 35 LEU QD 1 147 LEU HG 0.000 . 3.800 2.501 1.607 3.796 . 0 0 "[ . 1 . 2]" 1
1135 1 148 ALA MB 1 149 HIS HD2 0.000 . 3.800 2.974 1.925 3.807 0.007 13 0 "[ . 1 . 2]" 1
1136 1 148 ALA MB 1 149 HIS HE1 0.000 . 5.500 3.825 2.224 5.296 . 0 0 "[ . 1 . 2]" 1
1137 1 145 GLU QB 1 148 ALA MB 0.000 . 3.800 3.808 3.769 3.826 0.026 10 0 "[ . 1 . 2]" 1
1138 1 145 GLU QG 1 148 ALA MB 0.000 . 3.800 3.080 2.825 3.466 . 0 0 "[ . 1 . 2]" 1
1139 1 35 LEU QD 1 148 ALA MB 0.000 . 5.500 5.414 5.172 5.511 0.011 13 0 "[ . 1 . 2]" 1
1140 1 148 ALA MB 1 149 HIS QB 0.000 . 3.800 3.831 3.725 3.873 0.073 20 0 "[ . 1 . 2]" 1
1141 1 145 GLU QG 1 149 HIS HD2 0.000 . 3.800 3.351 2.337 3.805 0.005 10 0 "[ . 1 . 2]" 1
1142 1 145 GLU QG 1 149 HIS HE1 0.000 . 3.800 3.672 3.302 3.808 0.008 1 0 "[ . 1 . 2]" 1
1143 1 145 GLU QB 1 149 HIS HD2 0.000 . 5.500 4.911 3.272 5.505 0.005 5 0 "[ . 1 . 2]" 1
1144 1 145 GLU QB 1 149 HIS HE1 0.000 . 5.500 5.383 3.821 5.509 0.009 14 0 "[ . 1 . 2]" 1
1145 1 148 ALA MB 1 149 HIS HA 0.000 . 5.500 3.879 3.781 4.040 . 0 0 "[ . 1 . 2]" 1
1146 1 35 LEU QD 1 150 GLY QA 0.000 . 3.800 2.359 1.768 3.017 . 0 0 "[ . 1 . 2]" 1
1147 1 35 LEU QD 1 151 HIS HA 0.000 . 5.500 3.332 1.814 4.987 . 0 0 "[ . 1 . 2]" 1
1148 1 35 LEU QB 1 151 HIS HA 0.000 . 5.500 3.595 1.731 5.497 . 0 0 "[ . 1 . 2]" 1
1149 1 35 LEU QD 1 151 HIS QB 0.000 . 5.500 4.190 2.969 5.161 . 0 0 "[ . 1 . 2]" 1
1150 1 35 LEU QD 1 152 VAL QG 0.000 . 3.800 3.427 2.452 3.811 0.011 15 0 "[ . 1 . 2]" 1
1151 1 35 LEU QD 1 152 VAL HB 0.000 . 5.500 4.517 2.997 5.507 0.007 19 0 "[ . 1 . 2]" 1
1152 1 149 HIS QB 1 155 ALA MB 0.000 . 5.500 4.107 2.297 5.309 . 0 0 "[ . 1 . 2]" 1
1153 1 149 HIS QB 1 155 ALA HA 0.000 . 5.500 4.698 2.884 5.502 0.002 2 0 "[ . 1 . 2]" 1
1154 1 154 GLY QA 1 155 ALA MB 0.000 . 5.500 3.671 3.390 4.153 . 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 46
_Distance_constraint_stats_list.Viol_count 110
_Distance_constraint_stats_list.Viol_total 15.390
_Distance_constraint_stats_list.Viol_max 0.042
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0070
_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 9 VAL 0.076 0.010 1 0 "[ . 1 . 2]"
1 14 GLN 0.040 0.008 18 0 "[ . 1 . 2]"
1 16 ARG 0.045 0.012 4 0 "[ . 1 . 2]"
1 17 THR 0.441 0.042 6 0 "[ . 1 . 2]"
1 21 VAL 0.441 0.042 6 0 "[ . 1 . 2]"
1 34 TYR 0.076 0.010 1 0 "[ . 1 . 2]"
1 45 LEU 0.010 0.007 2 0 "[ . 1 . 2]"
1 49 LEU 0.010 0.007 2 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 VAL 0.023 0.011 8 0 "[ . 1 . 2]"
1 77 GLN 0.041 0.022 18 0 "[ . 1 . 2]"
1 79 VAL 0.044 0.019 13 0 "[ . 1 . 2]"
1 96 PHE 0.014 0.004 12 0 "[ . 1 . 2]"
1 98 ALA 0.001 0.001 11 0 "[ . 1 . 2]"
1 105 VAL 0.001 0.001 11 0 "[ . 1 . 2]"
1 107 VAL 0.014 0.004 12 0 "[ . 1 . 2]"
1 113 GLU 0.028 0.006 10 0 "[ . 1 . 2]"
1 116 HIS 0.028 0.006 10 0 "[ . 1 . 2]"
1 117 VAL 0.044 0.019 13 0 "[ . 1 . 2]"
1 119 VAL 0.041 0.022 18 0 "[ . 1 . 2]"
1 131 LYS 0.045 0.012 4 0 "[ . 1 . 2]"
1 132 PHE 0.023 0.011 8 0 "[ . 1 . 2]"
1 133 ASN 0.040 0.008 18 0 "[ . 1 . 2]"
1 134 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 145 GLU 0.008 0.004 19 0 "[ . 1 . 2]"
1 149 HIS 0.008 0.004 19 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 9 VAL H 1 34 TYR O 2.100 . 2.600 2.145 1.834 2.541 . 0 0 "[ . 1 . 2]" 2
2 1 9 VAL N 1 34 TYR O 3.000 2.500 3.500 3.080 2.733 3.495 . 0 0 "[ . 1 . 2]" 2
3 1 9 VAL O 1 34 TYR H 2.100 . 2.600 2.552 2.088 2.606 0.006 2 0 "[ . 1 . 2]" 2
4 1 9 VAL O 1 34 TYR N 3.000 2.500 3.500 3.453 2.816 3.510 0.010 1 0 "[ . 1 . 2]" 2
5 1 17 THR O 1 21 VAL H 2.100 . 2.600 2.619 2.601 2.642 0.042 6 0 "[ . 1 . 2]" 2
6 1 17 THR O 1 21 VAL N 3.000 2.500 3.500 3.495 3.446 3.523 0.023 7 0 "[ . 1 . 2]" 2
7 1 17 THR H 1 21 VAL O 2.100 . 2.600 1.768 1.599 1.922 0.001 3 0 "[ . 1 . 2]" 2
8 1 17 THR N 1 21 VAL O 3.000 2.500 3.500 2.685 2.556 2.844 . 0 0 "[ . 1 . 2]" 2
9 1 14 GLN H 1 133 ASN O 2.100 . 2.600 2.433 1.879 2.608 0.008 18 0 "[ . 1 . 2]" 2
10 1 14 GLN N 1 133 ASN O 3.000 2.500 3.500 3.152 2.736 3.359 . 0 0 "[ . 1 . 2]" 2
11 1 14 GLN O 1 133 ASN H 2.100 . 2.600 2.342 1.611 2.605 0.005 2 0 "[ . 1 . 2]" 2
12 1 14 GLN O 1 133 ASN N 3.000 2.500 3.500 3.080 2.552 3.354 . 0 0 "[ . 1 . 2]" 2
13 1 16 ARG H 1 131 LYS O 2.100 . 2.600 2.148 1.733 2.415 . 0 0 "[ . 1 . 2]" 2
14 1 16 ARG N 1 131 LYS O 3.000 2.500 3.500 3.030 2.691 3.359 . 0 0 "[ . 1 . 2]" 2
15 1 16 ARG O 1 131 LYS H 2.100 . 2.600 2.461 1.870 2.612 0.012 4 0 "[ . 1 . 2]" 2
16 1 16 ARG O 1 131 LYS N 3.000 2.500 3.500 3.347 2.777 3.504 0.004 1 0 "[ . 1 . 2]" 2
17 1 58 PHE O 1 134 VAL H 2.100 . 2.600 2.009 1.602 2.443 . 0 0 "[ . 1 . 2]" 2
18 1 58 PHE O 1 134 VAL N 3.000 2.500 3.500 2.909 2.575 3.291 . 0 0 "[ . 1 . 2]" 2
19 1 58 PHE H 1 134 VAL O 2.100 . 2.600 2.012 1.630 2.571 . 0 0 "[ . 1 . 2]" 2
20 1 58 PHE N 1 134 VAL O 3.000 2.500 3.500 2.917 2.608 3.207 . 0 0 "[ . 1 . 2]" 2
21 1 60 VAL H 1 132 PHE O 2.100 . 2.600 2.396 1.978 2.603 0.003 18 0 "[ . 1 . 2]" 2
22 1 60 VAL N 1 132 PHE O 3.000 2.500 3.500 3.321 2.942 3.511 0.011 8 0 "[ . 1 . 2]" 2
23 1 45 LEU O 1 49 LEU H 2.100 . 2.600 2.264 1.733 2.607 0.007 2 0 "[ . 1 . 2]" 2
24 1 45 LEU O 1 49 LEU N 3.000 2.500 3.500 3.073 2.515 3.501 0.001 2 0 "[ . 1 . 2]" 2
25 1 145 GLU O 1 149 HIS H 2.100 . 2.600 2.231 1.775 2.599 . 0 0 "[ . 1 . 2]" 2
26 1 145 GLU O 1 149 HIS N 3.000 2.500 3.500 3.186 2.752 3.504 0.004 19 0 "[ . 1 . 2]" 2
27 1 98 ALA O 1 105 VAL H 2.100 . 2.600 2.002 1.599 2.523 0.001 11 0 "[ . 1 . 2]" 2
28 1 98 ALA O 1 105 VAL N 3.000 2.500 3.500 2.907 2.532 3.478 . 0 0 "[ . 1 . 2]" 2
29 1 98 ALA H 1 105 VAL O 2.100 . 2.600 2.065 1.662 2.429 . 0 0 "[ . 1 . 2]" 2
30 1 98 ALA N 1 105 VAL O 3.000 2.500 3.500 2.902 2.521 3.294 . 0 0 "[ . 1 . 2]" 2
31 1 96 PHE O 1 107 VAL H 2.100 . 2.600 2.064 1.597 2.574 0.003 18 0 "[ . 1 . 2]" 2
32 1 96 PHE O 1 107 VAL N 3.000 2.500 3.500 2.989 2.521 3.498 . 0 0 "[ . 1 . 2]" 2
33 1 96 PHE H 1 107 VAL O 2.100 . 2.600 2.401 1.818 2.604 0.004 12 0 "[ . 1 . 2]" 2
34 1 96 PHE N 1 107 VAL O 3.000 2.500 3.500 3.209 2.705 3.418 . 0 0 "[ . 1 . 2]" 2
35 1 113 GLU H 1 116 HIS O 2.100 . 2.600 2.183 1.694 2.604 0.004 13 0 "[ . 1 . 2]" 2
36 1 113 GLU N 1 116 HIS O 3.000 2.500 3.500 2.806 2.494 3.311 0.006 10 0 "[ . 1 . 2]" 2
37 1 113 GLU O 1 116 HIS H 2.100 . 2.600 2.420 1.934 2.604 0.004 8 0 "[ . 1 . 2]" 2
38 1 113 GLU O 1 116 HIS N 3.000 2.500 3.500 3.257 2.741 3.503 0.003 19 0 "[ . 1 . 2]" 2
39 1 77 GLN O 1 119 VAL H 2.100 . 2.600 2.189 1.758 2.609 0.009 12 0 "[ . 1 . 2]" 2
40 1 77 GLN O 1 119 VAL N 3.000 2.500 3.500 3.078 2.666 3.502 0.002 12 0 "[ . 1 . 2]" 2
41 1 77 GLN H 1 119 VAL O 2.100 . 2.600 2.259 1.655 2.603 0.003 10 0 "[ . 1 . 2]" 2
42 1 77 GLN N 1 119 VAL O 3.000 2.500 3.500 3.102 2.478 3.496 0.022 18 0 "[ . 1 . 2]" 2
43 1 79 VAL O 1 117 VAL H 2.100 . 2.600 2.481 1.912 2.607 0.007 13 0 "[ . 1 . 2]" 2
44 1 79 VAL O 1 117 VAL N 3.000 2.500 3.500 3.238 2.754 3.497 . 0 0 "[ . 1 . 2]" 2
45 1 79 VAL H 1 117 VAL O 2.100 . 2.600 2.090 1.682 2.599 . 0 0 "[ . 1 . 2]" 2
46 1 79 VAL N 1 117 VAL O 3.000 2.500 3.500 2.887 2.481 3.394 0.019 13 0 "[ . 1 . 2]" 2
stop_
save_
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