NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
371948 |
1cx1   |
4706 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1cx1
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 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 38 CYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 142 CYS 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 38 CYS SG 1 142 CYS SG 2.020 . 2.120 2.020 2.019 2.022 . 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 1269
_Distance_constraint_stats_list.Viol_count 2929
_Distance_constraint_stats_list.Viol_total 2283.925
_Distance_constraint_stats_list.Viol_max 0.273
_Distance_constraint_stats_list.Viol_rms 0.0169
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0354
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 3 LEU 0.754 0.134 7 0 "[ . 1 . 2 ]"
1 4 ASP 0.546 0.134 7 0 "[ . 1 . 2 ]"
1 5 SER 0.058 0.046 13 0 "[ . 1 . 2 ]"
1 6 GLU 0.459 0.185 13 0 "[ . 1 . 2 ]"
1 7 VAL 0.644 0.218 13 0 "[ . 1 . 2 ]"
1 8 GLU 0.331 0.101 21 0 "[ . 1 . 2 ]"
1 9 LEU 0.591 0.051 13 0 "[ . 1 . 2 ]"
1 10 LEU 3.270 0.155 2 0 "[ . 1 . 2 ]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 HIS 2.115 0.142 12 0 "[ . 1 . 2 ]"
1 13 THR 0.219 0.037 7 0 "[ . 1 . 2 ]"
1 14 SER 0.108 0.021 16 0 "[ . 1 . 2 ]"
1 15 PHE 0.608 0.050 12 0 "[ . 1 . 2 ]"
1 16 ALA 0.137 0.026 6 0 "[ . 1 . 2 ]"
1 17 GLU 1.752 0.194 10 0 "[ . 1 . 2 ]"
1 18 SER 0.472 0.039 9 0 "[ . 1 . 2 ]"
1 19 LEU 1.343 0.156 3 0 "[ . 1 . 2 ]"
1 20 GLY 0.102 0.026 22 0 "[ . 1 . 2 ]"
1 21 PRO 0.339 0.049 1 0 "[ . 1 . 2 ]"
1 22 TRP 2.798 0.085 7 0 "[ . 1 . 2 ]"
1 23 SER 0.352 0.064 4 0 "[ . 1 . 2 ]"
1 24 LEU 0.601 0.092 8 0 "[ . 1 . 2 ]"
1 25 TYR 0.353 0.041 14 0 "[ . 1 . 2 ]"
1 26 GLY 0.006 0.004 14 0 "[ . 1 . 2 ]"
1 27 THR 3.991 0.207 3 0 "[ . 1 . 2 ]"
1 28 SER 2.907 0.207 3 0 "[ . 1 . 2 ]"
1 29 GLU 0.020 0.008 18 0 "[ . 1 . 2 ]"
1 30 PRO 0.888 0.071 19 0 "[ . 1 . 2 ]"
1 31 VAL 0.012 0.008 14 0 "[ . 1 . 2 ]"
1 32 PHE 1.642 0.100 7 0 "[ . 1 . 2 ]"
1 33 ALA 1.335 0.102 2 0 "[ . 1 . 2 ]"
1 34 ASP 0.547 0.070 11 0 "[ . 1 . 2 ]"
1 35 GLY 0.135 0.026 6 0 "[ . 1 . 2 ]"
1 36 ARG 2.471 0.118 5 0 "[ . 1 . 2 ]"
1 37 MET 1.162 0.102 2 0 "[ . 1 . 2 ]"
1 38 CYS 0.112 0.059 14 0 "[ . 1 . 2 ]"
1 39 VAL 1.891 0.075 19 0 "[ . 1 . 2 ]"
1 40 ASP 0.023 0.022 21 0 "[ . 1 . 2 ]"
1 41 LEU 0.528 0.082 11 0 "[ . 1 . 2 ]"
1 42 PRO 0.226 0.077 11 0 "[ . 1 . 2 ]"
1 43 GLY 0.059 0.017 11 0 "[ . 1 . 2 ]"
1 44 GLY 0.483 0.117 1 0 "[ . 1 . 2 ]"
1 45 GLN 1.821 0.171 2 0 "[ . 1 . 2 ]"
1 46 GLY 0.036 0.010 12 0 "[ . 1 . 2 ]"
1 47 ASN 0.724 0.078 17 0 "[ . 1 . 2 ]"
1 48 PRO 0.025 0.009 5 0 "[ . 1 . 2 ]"
1 49 TRP 0.433 0.104 17 0 "[ . 1 . 2 ]"
1 50 ASP 0.166 0.022 13 0 "[ . 1 . 2 ]"
1 51 ALA 0.111 0.039 2 0 "[ . 1 . 2 ]"
1 52 GLY 0.333 0.033 13 0 "[ . 1 . 2 ]"
1 53 LEU 4.092 0.139 4 0 "[ . 1 . 2 ]"
1 54 VAL 3.957 0.207 6 0 "[ . 1 . 2 ]"
1 55 TYR 3.409 0.207 6 0 "[ . 1 . 2 ]"
1 56 ASN 3.232 0.118 11 0 "[ . 1 . 2 ]"
1 57 GLY 0.100 0.034 11 0 "[ . 1 . 2 ]"
1 58 VAL 0.054 0.018 3 0 "[ . 1 . 2 ]"
1 59 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 VAL 0.026 0.008 14 0 "[ . 1 . 2 ]"
1 61 GLY 0.085 0.018 6 0 "[ . 1 . 2 ]"
1 62 GLU 1.515 0.209 2 0 "[ . 1 . 2 ]"
1 63 GLY 0.058 0.020 3 0 "[ . 1 . 2 ]"
1 64 GLU 0.768 0.061 9 0 "[ . 1 . 2 ]"
1 65 SER 0.029 0.017 7 0 "[ . 1 . 2 ]"
1 66 TYR 3.338 0.159 7 0 "[ . 1 . 2 ]"
1 67 VAL 0.904 0.056 21 0 "[ . 1 . 2 ]"
1 68 LEU 1.568 0.111 7 0 "[ . 1 . 2 ]"
1 69 SER 2.051 0.126 20 0 "[ . 1 . 2 ]"
1 70 PHE 4.846 0.130 12 0 "[ . 1 . 2 ]"
1 71 THR 1.089 0.095 18 0 "[ . 1 . 2 ]"
1 72 ALA 0.123 0.037 5 0 "[ . 1 . 2 ]"
1 73 SER 0.286 0.033 19 0 "[ . 1 . 2 ]"
1 74 ALA 0.255 0.026 5 0 "[ . 1 . 2 ]"
1 75 THR 2.983 0.167 4 0 "[ . 1 . 2 ]"
1 76 PRO 4.383 0.273 14 0 "[ . 1 . 2 ]"
1 77 ASP 4.097 0.273 14 0 "[ . 1 . 2 ]"
1 78 MET 0.429 0.042 2 0 "[ . 1 . 2 ]"
1 79 PRO 0.126 0.021 1 0 "[ . 1 . 2 ]"
1 80 VAL 0.297 0.034 3 0 "[ . 1 . 2 ]"
1 81 ARG 0.007 0.004 9 0 "[ . 1 . 2 ]"
1 82 VAL 3.193 0.090 4 0 "[ . 1 . 2 ]"
1 83 LEU 0.977 0.065 17 0 "[ . 1 . 2 ]"
1 84 VAL 2.758 0.164 18 0 "[ . 1 . 2 ]"
1 85 GLY 0.010 0.005 21 0 "[ . 1 . 2 ]"
1 86 GLU 0.437 0.062 18 0 "[ . 1 . 2 ]"
1 87 GLY 0.036 0.012 20 0 "[ . 1 . 2 ]"
1 88 GLY 0.035 0.015 21 0 "[ . 1 . 2 ]"
1 89 GLY 0.025 0.013 7 0 "[ . 1 . 2 ]"
1 90 ALA 0.004 0.003 11 0 "[ . 1 . 2 ]"
1 91 TYR 0.202 0.062 18 0 "[ . 1 . 2 ]"
1 92 ARG 0.102 0.013 22 0 "[ . 1 . 2 ]"
1 93 THR 2.083 0.185 18 0 "[ . 1 . 2 ]"
1 94 ALA 0.146 0.019 9 0 "[ . 1 . 2 ]"
1 95 PHE 4.010 0.185 18 0 "[ . 1 . 2 ]"
1 96 GLU 1.225 0.060 18 0 "[ . 1 . 2 ]"
1 97 GLN 0.657 0.062 5 0 "[ . 1 . 2 ]"
1 98 GLY 0.063 0.017 2 0 "[ . 1 . 2 ]"
1 99 SER 1.218 0.091 19 0 "[ . 1 . 2 ]"
1 100 ALA 0.568 0.077 17 0 "[ . 1 . 2 ]"
1 101 PRO 0.026 0.016 15 0 "[ . 1 . 2 ]"
1 102 LEU 0.590 0.067 11 0 "[ . 1 . 2 ]"
1 103 THR 0.083 0.032 14 0 "[ . 1 . 2 ]"
1 104 GLY 0.020 0.011 11 0 "[ . 1 . 2 ]"
1 105 GLU 0.010 0.006 18 0 "[ . 1 . 2 ]"
1 106 PRO 0.233 0.037 21 0 "[ . 1 . 2 ]"
1 107 ALA 0.265 0.037 21 0 "[ . 1 . 2 ]"
1 108 THR 1.544 0.090 12 0 "[ . 1 . 2 ]"
1 109 ARG 5.217 0.222 10 0 "[ . 1 . 2 ]"
1 110 GLU 4.633 0.222 10 0 "[ . 1 . 2 ]"
1 111 TYR 2.702 0.087 13 0 "[ . 1 . 2 ]"
1 112 ALA 1.710 0.084 16 0 "[ . 1 . 2 ]"
1 113 PHE 0.807 0.083 7 0 "[ . 1 . 2 ]"
1 114 THR 1.862 0.097 4 0 "[ . 1 . 2 ]"
1 115 SER 1.728 0.209 2 0 "[ . 1 . 2 ]"
1 116 ASN 0.113 0.087 13 0 "[ . 1 . 2 ]"
1 117 LEU 1.595 0.258 2 0 "[ . 1 . 2 ]"
1 118 THR 1.293 0.120 2 0 "[ . 1 . 2 ]"
1 119 PHE 0.132 0.028 8 0 "[ . 1 . 2 ]"
1 120 PRO 0.073 0.073 12 0 "[ . 1 . 2 ]"
1 121 PRO 0.963 0.053 12 0 "[ . 1 . 2 ]"
1 122 ASP 0.863 0.073 12 0 "[ . 1 . 2 ]"
1 123 GLY 0.015 0.005 2 0 "[ . 1 . 2 ]"
1 124 ASP 0.046 0.024 7 0 "[ . 1 . 2 ]"
1 125 ALA 0.063 0.022 12 0 "[ . 1 . 2 ]"
1 126 PRO 0.466 0.204 12 0 "[ . 1 . 2 ]"
1 127 GLY 1.149 0.204 12 0 "[ . 1 . 2 ]"
1 128 GLN 0.015 0.004 7 0 "[ . 1 . 2 ]"
1 129 VAL 1.153 0.086 7 0 "[ . 1 . 2 ]"
1 130 ALA 1.323 0.086 7 0 "[ . 1 . 2 ]"
1 131 PHE 1.493 0.093 20 0 "[ . 1 . 2 ]"
1 132 HIS 0.017 0.009 5 0 "[ . 1 . 2 ]"
1 133 LEU 0.785 0.061 17 0 "[ . 1 . 2 ]"
1 134 GLY 0.237 0.061 17 0 "[ . 1 . 2 ]"
1 135 LYS 3.131 0.215 2 0 "[ . 1 . 2 ]"
1 136 ALA 0.789 0.121 12 0 "[ . 1 . 2 ]"
1 137 GLY 0.291 0.035 5 0 "[ . 1 . 2 ]"
1 138 ALA 4.073 0.264 11 0 "[ . 1 . 2 ]"
1 139 TYR 3.174 0.264 11 0 "[ . 1 . 2 ]"
1 140 GLU 1.229 0.105 9 0 "[ . 1 . 2 ]"
1 141 PHE 0.306 0.041 20 0 "[ . 1 . 2 ]"
1 142 CYS 2.848 0.203 6 0 "[ . 1 . 2 ]"
1 143 ILE 7.384 0.230 14 0 "[ . 1 . 2 ]"
1 144 SER 3.252 0.227 2 0 "[ . 1 . 2 ]"
1 145 GLN 4.405 0.230 14 0 "[ . 1 . 2 ]"
1 146 VAL 0.278 0.042 10 0 "[ . 1 . 2 ]"
1 147 SER 1.580 0.084 16 0 "[ . 1 . 2 ]"
1 148 LEU 0.329 0.099 7 0 "[ . 1 . 2 ]"
1 149 THR 0.550 0.183 13 0 "[ . 1 . 2 ]"
1 150 THR 1.574 0.218 13 0 "[ . 1 . 2 ]"
1 151 SER 1.195 0.058 22 0 "[ . 1 . 2 ]"
1 152 ALA 0.066 0.030 22 0 "[ . 1 . 2 ]"
1 153 THR 0.006 0.002 3 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 SER HA 1 3 LEU H 4.000 . 5.000 3.097 2.396 3.588 . 0 0 "[ . 1 . 2 ]" 2
2 1 3 LEU HA 1 3 LEU HG 2.800 . 3.800 2.684 2.206 3.596 . 0 0 "[ . 1 . 2 ]" 2
3 1 3 LEU H 1 3 LEU HA 2.500 . 3.500 2.740 2.347 2.991 . 0 0 "[ . 1 . 2 ]" 2
4 1 3 LEU H 1 3 LEU QB 1.900 . 2.900 2.618 2.111 2.991 0.091 22 0 "[ . 1 . 2 ]" 2
5 1 3 LEU HA 1 4 ASP H 1.900 . 2.900 2.669 2.193 3.034 0.134 7 0 "[ . 1 . 2 ]" 2
6 1 3 LEU QB 1 4 ASP H 2.500 . 3.500 2.595 1.799 3.629 0.129 9 0 "[ . 1 . 2 ]" 2
7 1 3 LEU H 1 151 SER HA 1.900 . 2.900 2.877 2.628 2.915 0.015 17 0 "[ . 1 . 2 ]" 2
8 1 4 ASP HA 1 4 ASP QB 2.500 . 3.500 2.404 2.200 2.542 . 0 0 "[ . 1 . 2 ]" 2
9 1 4 ASP HA 1 5 SER H 2.800 . 3.800 2.698 2.194 3.088 . 0 0 "[ . 1 . 2 ]" 2
10 1 5 SER HA 1 6 GLU H 1.900 . 2.900 2.599 2.192 2.946 0.046 13 0 "[ . 1 . 2 ]" 2
11 1 5 SER H 1 5 SER HA 2.500 . 3.500 2.542 2.346 2.982 . 0 0 "[ . 1 . 2 ]" 2
12 1 5 SER H 1 5 SER QB 2.500 . 3.500 2.940 2.258 3.502 0.002 21 0 "[ . 1 . 2 ]" 2
13 1 6 GLU QB 1 7 VAL H 5.000 . 6.000 3.271 2.354 3.896 . 0 0 "[ . 1 . 2 ]" 2
14 1 6 GLU HA 1 7 VAL H 1.900 . 2.900 2.315 2.189 3.085 0.185 13 0 "[ . 1 . 2 ]" 2
15 1 6 GLU H 1 6 GLU QG 2.500 . 3.500 2.517 1.796 3.385 0.004 1 0 "[ . 1 . 2 ]" 2
16 1 6 GLU H 1 6 GLU QB 2.800 . 3.800 2.812 2.219 3.379 . 0 0 "[ . 1 . 2 ]" 2
17 1 6 GLU QB 1 149 THR HB 2.500 . 3.500 3.081 2.111 3.683 0.183 13 0 "[ . 1 . 2 ]" 2
18 1 6 GLU QG 1 149 THR HB 4.000 . 5.000 4.553 3.328 5.007 0.007 13 0 "[ . 1 . 2 ]" 2
19 1 7 VAL H 1 7 VAL QG 3.500 . 4.500 2.140 1.798 2.912 0.002 2 0 "[ . 1 . 2 ]" 2
20 1 7 VAL H 1 7 VAL HA 2.500 . 3.500 2.872 2.396 2.989 . 0 0 "[ . 1 . 2 ]" 2
21 1 7 VAL HA 1 8 GLU H 1.900 . 2.900 2.506 2.259 3.001 0.101 21 0 "[ . 1 . 2 ]" 2
22 1 7 VAL HB 1 8 GLU H 4.000 . 5.000 4.201 2.210 4.598 . 0 0 "[ . 1 . 2 ]" 2
23 1 7 VAL H 1 7 VAL HB 2.500 . 3.500 2.750 2.224 2.995 . 0 0 "[ . 1 . 2 ]" 2
24 1 7 VAL QG 1 8 GLU H 3.500 . 4.500 3.190 1.795 3.724 0.005 5 0 "[ . 1 . 2 ]" 2
25 1 7 VAL HB 1 150 THR MG 3.000 . 4.000 3.077 2.107 4.012 0.012 17 0 "[ . 1 . 2 ]" 2
26 1 7 VAL QG 1 150 THR MG 3.400 . 4.400 2.500 1.869 3.652 . 0 0 "[ . 1 . 2 ]" 2
27 1 7 VAL QG 1 152 ALA HA 5.000 . 6.000 5.662 3.341 6.030 0.030 22 0 "[ . 1 . 2 ]" 2
28 1 7 VAL H 1 150 THR H 2.500 . 3.500 3.165 2.416 3.506 0.006 1 0 "[ . 1 . 2 ]" 2
29 1 7 VAL HB 1 150 THR H 2.500 . 3.500 3.010 1.984 3.718 0.218 13 0 "[ . 1 . 2 ]" 2
30 1 8 GLU HA 1 8 GLU QB 2.500 . 3.500 2.447 2.187 2.541 . 0 0 "[ . 1 . 2 ]" 2
31 1 8 GLU QB 1 8 GLU QG 1.900 . 2.900 2.059 2.009 2.108 . 0 0 "[ . 1 . 2 ]" 2
32 1 8 GLU H 1 8 GLU QB 2.500 . 3.500 2.412 2.141 3.127 . 0 0 "[ . 1 . 2 ]" 2
33 1 8 GLU HA 1 9 LEU H 1.800 . 2.800 2.307 2.193 2.563 . 0 0 "[ . 1 . 2 ]" 2
34 1 8 GLU QG 1 9 LEU H 4.000 . 5.000 3.662 3.092 4.262 . 0 0 "[ . 1 . 2 ]" 2
35 1 8 GLU H 1 8 GLU QG 4.000 . 5.000 3.942 2.419 4.306 . 0 0 "[ . 1 . 2 ]" 2
36 1 8 GLU H 1 8 GLU HA 2.500 . 3.500 2.864 2.409 2.991 . 0 0 "[ . 1 . 2 ]" 2
37 1 8 GLU QB 1 9 LEU H 4.000 . 5.000 3.913 3.340 4.048 . 0 0 "[ . 1 . 2 ]" 2
38 1 8 GLU HA 1 149 THR HA 4.000 . 5.000 3.943 3.209 5.067 0.067 13 0 "[ . 1 . 2 ]" 2
39 1 8 GLU QG 1 10 LEU H 2.500 . 3.500 2.882 1.828 3.552 0.052 13 0 "[ . 1 . 2 ]" 2
40 1 8 GLU HA 1 149 THR MG 3.800 . 4.800 4.191 2.118 4.801 0.001 2 0 "[ . 1 . 2 ]" 2
41 1 8 GLU QG 1 13 THR MG 3.000 . 4.000 3.672 2.007 4.015 0.015 3 0 "[ . 1 . 2 ]" 2
42 1 9 LEU HB3 1 9 LEU MD2 3.000 . 4.000 2.176 2.085 2.365 . 0 0 "[ . 1 . 2 ]" 2
43 1 9 LEU HA 1 9 LEU MD2 3.000 . 4.000 2.551 2.021 3.688 . 0 0 "[ . 1 . 2 ]" 2
44 1 9 LEU MD2 1 9 LEU HG 2.400 . 3.400 2.137 2.117 2.154 . 0 0 "[ . 1 . 2 ]" 2
45 1 9 LEU HB2 1 9 LEU MD1 3.000 . 4.000 2.208 2.085 2.469 . 0 0 "[ . 1 . 2 ]" 2
46 1 9 LEU H 1 9 LEU HB2 4.000 . 5.000 2.252 2.191 3.046 . 0 0 "[ . 1 . 2 ]" 2
47 1 9 LEU H 1 10 LEU H 2.500 . 3.500 2.602 2.333 2.931 . 0 0 "[ . 1 . 2 ]" 2
48 1 9 LEU H 1 9 LEU HB3 2.500 . 3.500 3.525 3.511 3.551 0.051 13 0 "[ . 1 . 2 ]" 2
49 1 9 LEU H 1 9 LEU MD1 3.000 . 4.000 3.192 1.799 3.945 0.001 17 0 "[ . 1 . 2 ]" 2
50 1 9 LEU H 1 9 LEU MD2 4.500 . 5.500 4.045 1.800 4.313 . 16 0 "[ . 1 . 2 ]" 2
51 1 9 LEU HA 1 10 LEU H 4.000 . 5.000 3.414 2.995 3.580 . 0 0 "[ . 1 . 2 ]" 2
52 1 9 LEU HA 1 9 LEU HG 4.000 . 5.000 2.371 2.132 3.501 . 0 0 "[ . 1 . 2 ]" 2
53 1 9 LEU MD1 1 66 TYR QD 4.500 . 5.500 3.954 2.589 5.342 . 0 0 "[ . 1 . 2 ]" 2
54 1 9 LEU H 1 149 THR HA 4.000 . 5.000 3.697 3.018 4.213 . 0 0 "[ . 1 . 2 ]" 2
55 1 9 LEU MD1 1 66 TYR QE 3.000 . 4.000 2.983 1.949 4.001 0.001 7 0 "[ . 1 . 2 ]" 2
56 1 9 LEU HB2 1 149 THR HA 4.000 . 5.000 4.539 3.101 5.013 0.013 3 0 "[ . 1 . 2 ]" 2
57 1 9 LEU MD1 1 150 THR HB 4.500 . 5.500 4.645 3.128 5.495 . 0 0 "[ . 1 . 2 ]" 2
58 1 10 LEU HB3 1 10 LEU MD1 2.400 . 3.400 2.292 2.047 3.129 . 0 0 "[ . 1 . 2 ]" 2
59 1 10 LEU MD1 1 10 LEU HG 2.400 . 3.400 2.127 2.096 2.148 . 0 0 "[ . 1 . 2 ]" 2
60 1 10 LEU HA 1 10 LEU MD2 4.500 . 5.500 2.303 1.875 3.941 . 0 0 "[ . 1 . 2 ]" 2
61 1 10 LEU HB2 1 10 LEU MD1 3.000 . 4.000 2.777 2.112 3.164 . 0 0 "[ . 1 . 2 ]" 2
62 1 10 LEU HA 1 11 PRO QD 2.500 . 3.500 2.034 1.983 2.130 . 0 0 "[ . 1 . 2 ]" 2
63 1 10 LEU H 1 10 LEU HB3 4.000 . 5.000 2.748 2.378 3.155 . 0 0 "[ . 1 . 2 ]" 2
64 1 10 LEU H 1 10 LEU HB2 4.000 . 5.000 2.953 2.608 3.510 . 0 0 "[ . 1 . 2 ]" 2
65 1 10 LEU H 1 10 LEU MD1 4.500 . 5.500 4.226 3.973 4.640 . 0 0 "[ . 1 . 2 ]" 2
66 1 10 LEU H 1 10 LEU MD2 4.500 . 5.500 4.140 3.966 4.511 . 0 0 "[ . 1 . 2 ]" 2
67 1 10 LEU MD2 1 55 TYR QD 4.500 . 5.500 4.339 1.939 5.502 0.002 9 0 "[ . 1 . 2 ]" 2
68 1 10 LEU MD2 1 55 TYR QE 4.500 . 5.500 3.173 1.992 4.264 . 0 0 "[ . 1 . 2 ]" 2
69 1 10 LEU MD1 1 147 SER HA 4.500 . 5.500 4.679 2.456 5.525 0.025 9 0 "[ . 1 . 2 ]" 2
70 1 10 LEU MD1 1 148 LEU H 4.500 . 5.500 5.031 2.241 5.524 0.024 17 0 "[ . 1 . 2 ]" 2
71 1 10 LEU MD2 1 22 TRP HZ2 4.500 . 5.500 4.412 1.917 5.364 . 0 0 "[ . 1 . 2 ]" 2
72 1 10 LEU MD1 1 22 TRP HZ2 3.000 . 4.000 3.033 2.162 4.018 0.018 7 0 "[ . 1 . 2 ]" 2
73 1 10 LEU HB3 1 55 TYR QE 2.500 . 3.500 3.570 3.513 3.655 0.155 2 0 "[ . 1 . 2 ]" 2
74 1 10 LEU HB3 1 12 HIS H 2.500 . 3.500 3.451 2.643 3.642 0.142 12 0 "[ . 1 . 2 ]" 2
75 1 10 LEU HB2 1 12 HIS H 4.000 . 5.000 4.653 4.238 5.013 0.013 1 0 "[ . 1 . 2 ]" 2
76 1 10 LEU MD1 1 22 TRP HH2 4.500 . 5.500 4.986 3.508 5.548 0.048 1 0 "[ . 1 . 2 ]" 2
77 1 11 PRO HA 1 12 HIS H 2.500 . 3.500 2.949 2.675 3.171 . 0 0 "[ . 1 . 2 ]" 2
78 1 11 PRO QG 1 12 HIS H 4.000 . 5.000 4.518 4.005 4.793 . 0 0 "[ . 1 . 2 ]" 2
79 1 12 HIS HA 1 13 THR H 1.900 . 2.900 2.253 2.180 2.465 . 0 0 "[ . 1 . 2 ]" 2
80 1 12 HIS H 1 12 HIS HB2 2.500 . 3.500 3.134 2.807 3.527 0.027 1 0 "[ . 1 . 2 ]" 2
81 1 12 HIS H 1 12 HIS HB3 2.500 . 3.500 2.961 2.513 3.274 . 0 0 "[ . 1 . 2 ]" 2
82 1 12 HIS H 1 13 THR MG 4.500 . 5.500 3.682 2.788 4.971 . 0 0 "[ . 1 . 2 ]" 2
83 1 12 HIS HB3 1 12 HIS HD2 4.000 . 5.000 2.764 2.741 2.797 . 0 0 "[ . 1 . 2 ]" 2
84 1 12 HIS HD2 1 22 TRP HD1 2.500 . 3.500 3.293 2.410 3.541 0.041 13 0 "[ . 1 . 2 ]" 2
85 1 12 HIS HB3 1 21 PRO QD 4.000 . 5.000 3.298 2.828 4.356 . 0 0 "[ . 1 . 2 ]" 2
86 1 12 HIS HB2 1 21 PRO QD 2.500 . 3.500 3.426 2.782 3.549 0.049 1 0 "[ . 1 . 2 ]" 2
87 1 12 HIS HA 1 14 SER H 4.000 . 5.000 4.174 3.513 4.851 . 0 0 "[ . 1 . 2 ]" 2
88 1 12 HIS HE1 1 18 SER QB 4.000 . 5.000 4.288 3.261 5.021 0.021 9 0 "[ . 1 . 2 ]" 2
89 1 12 HIS HD2 1 22 TRP HE1 4.000 . 5.000 3.990 2.033 4.986 . 0 0 "[ . 1 . 2 ]" 2
90 1 12 HIS HB3 1 22 TRP HE1 2.500 . 3.500 3.298 1.934 3.526 0.026 8 0 "[ . 1 . 2 ]" 2
91 1 12 HIS HB2 1 22 TRP HE1 4.000 . 5.000 4.792 3.370 5.024 0.024 13 0 "[ . 1 . 2 ]" 2
92 1 12 HIS HB3 1 22 TRP HD1 4.000 . 5.000 3.956 2.846 4.662 . 0 0 "[ . 1 . 2 ]" 2
93 1 13 THR H 1 13 THR MG 4.500 . 5.500 2.158 1.798 2.409 0.002 18 0 "[ . 1 . 2 ]" 2
94 1 13 THR H 1 14 SER H 1.900 . 2.900 2.782 2.230 2.921 0.021 16 0 "[ . 1 . 2 ]" 2
95 1 13 THR H 1 13 THR HA 2.500 . 3.500 2.941 2.880 2.993 . 0 0 "[ . 1 . 2 ]" 2
96 1 13 THR MG 1 14 SER H 4.500 . 5.500 3.881 3.574 4.186 . 0 0 "[ . 1 . 2 ]" 2
97 1 13 THR MG 1 147 SER HA 4.500 . 5.500 4.020 2.521 4.858 . 0 0 "[ . 1 . 2 ]" 2
98 1 13 THR HB 1 146 VAL H 2.500 . 3.500 2.958 2.188 3.537 0.037 7 0 "[ . 1 . 2 ]" 2
99 1 13 THR MG 1 147 SER QB 4.500 . 5.500 3.485 2.311 5.016 . 0 0 "[ . 1 . 2 ]" 2
100 1 14 SER H 1 14 SER QB 2.500 . 3.500 2.808 2.496 3.361 . 0 0 "[ . 1 . 2 ]" 2
101 1 14 SER HA 1 15 PHE H 1.800 . 2.800 2.497 2.283 2.701 . 0 0 "[ . 1 . 2 ]" 2
102 1 14 SER QB 1 15 PHE H 4.000 . 5.000 3.962 3.797 4.082 . 0 0 "[ . 1 . 2 ]" 2
103 1 14 SER HA 1 145 GLN HA 2.800 . 3.800 3.176 2.198 3.807 0.007 2 0 "[ . 1 . 2 ]" 2
104 1 15 PHE HA 1 15 PHE QD 4.000 . 5.000 2.354 2.145 3.056 . 0 0 "[ . 1 . 2 ]" 2
105 1 15 PHE H 1 15 PHE HB2 2.500 . 3.500 2.296 2.201 2.712 . 0 0 "[ . 1 . 2 ]" 2
106 1 15 PHE H 1 15 PHE HB3 4.000 . 5.000 3.569 3.524 3.628 . 0 0 "[ . 1 . 2 ]" 2
107 1 15 PHE HB3 1 15 PHE QD 2.500 . 3.500 2.422 2.300 2.779 . 0 0 "[ . 1 . 2 ]" 2
108 1 15 PHE HA 1 16 ALA H 4.000 . 5.000 2.943 2.712 3.132 . 0 0 "[ . 1 . 2 ]" 2
109 1 15 PHE H 1 16 ALA H 2.500 . 3.500 3.131 2.748 3.501 0.001 3 0 "[ . 1 . 2 ]" 2
110 1 15 PHE H 1 15 PHE QD 4.000 . 5.000 2.381 1.795 2.951 0.005 13 0 "[ . 1 . 2 ]" 2
111 1 15 PHE HB2 1 144 SER HA 2.500 . 3.500 2.468 2.192 3.513 0.013 20 0 "[ . 1 . 2 ]" 2
112 1 15 PHE HB3 1 37 MET QB 4.000 . 5.000 2.650 2.059 3.896 . 0 0 "[ . 1 . 2 ]" 2
113 1 15 PHE QD 1 19 LEU HA 4.000 . 5.000 3.667 2.471 4.387 . 0 0 "[ . 1 . 2 ]" 2
114 1 15 PHE QE 1 19 LEU HA 4.000 . 5.000 4.129 2.985 4.992 . 0 0 "[ . 1 . 2 ]" 2
115 1 15 PHE QD 1 37 MET ME 4.500 . 5.500 2.493 1.956 3.905 . 0 0 "[ . 1 . 2 ]" 2
116 1 15 PHE H 1 145 GLN HA 4.000 . 5.000 2.692 1.971 3.587 . 0 0 "[ . 1 . 2 ]" 2
117 1 15 PHE QE 1 53 LEU QB 2.500 . 3.500 3.518 3.382 3.550 0.050 12 0 "[ . 1 . 2 ]" 2
118 1 15 PHE QD 1 19 LEU MD2 4.500 . 5.500 4.412 2.665 5.516 0.016 2 0 "[ . 1 . 2 ]" 2
119 1 15 PHE QE 1 19 LEU MD2 4.500 . 5.500 4.163 2.457 5.507 0.007 13 0 "[ . 1 . 2 ]" 2
120 1 15 PHE QE 1 53 LEU MD1 4.500 . 5.500 2.993 2.149 4.344 . 0 0 "[ . 1 . 2 ]" 2
121 1 15 PHE QE 1 143 ILE MG 4.000 . 5.000 4.380 3.909 5.004 0.004 13 0 "[ . 1 . 2 ]" 2
122 1 15 PHE QE 1 143 ILE MD 4.500 . 5.500 2.999 2.054 4.279 . 0 0 "[ . 1 . 2 ]" 2
123 1 15 PHE QE 1 37 MET ME 4.500 . 5.500 3.028 2.117 4.326 . 0 0 "[ . 1 . 2 ]" 2
124 1 15 PHE QD 1 143 ILE QG 4.000 . 5.000 2.804 2.135 4.688 . 0 0 "[ . 1 . 2 ]" 2
125 1 15 PHE QD 1 143 ILE MG 4.000 . 5.000 3.618 2.811 4.566 . 0 0 "[ . 1 . 2 ]" 2
126 1 15 PHE QD 1 37 MET QB 4.000 . 5.000 3.189 2.168 4.314 . 0 0 "[ . 1 . 2 ]" 2
127 1 16 ALA MB 1 17 GLU H 3.000 . 4.000 2.578 1.845 2.975 . 0 0 "[ . 1 . 2 ]" 2
128 1 16 ALA H 1 16 ALA MB 2.400 . 3.400 2.171 2.100 2.271 . 0 0 "[ . 1 . 2 ]" 2
129 1 16 ALA MB 1 17 GLU QG 3.000 . 4.000 3.174 2.085 3.443 . 0 0 "[ . 1 . 2 ]" 2
130 1 16 ALA H 1 16 ALA HA 2.500 . 3.500 2.933 2.805 2.955 . 0 0 "[ . 1 . 2 ]" 2
131 1 16 ALA H 1 17 GLU H 2.500 . 3.500 2.527 2.296 3.512 0.012 7 0 "[ . 1 . 2 ]" 2
132 1 16 ALA HA 1 36 ARG H 4.000 . 5.000 3.479 2.758 5.008 0.008 7 0 "[ . 1 . 2 ]" 2
133 1 16 ALA MB 1 35 GLY QA 3.000 . 4.000 2.080 1.868 3.401 . 0 0 "[ . 1 . 2 ]" 2
134 1 16 ALA HA 1 36 ARG HA 4.000 . 5.000 3.225 2.199 5.005 0.005 3 0 "[ . 1 . 2 ]" 2
135 1 16 ALA HA 1 35 GLY QA 1.900 . 2.900 2.629 2.175 2.926 0.026 6 0 "[ . 1 . 2 ]" 2
136 1 16 ALA MB 1 35 GLY H 4.500 . 5.500 4.325 3.892 5.345 . 0 0 "[ . 1 . 2 ]" 2
137 1 17 GLU HA 1 17 GLU QG 2.500 . 3.500 2.357 2.135 2.693 . 0 0 "[ . 1 . 2 ]" 2
138 1 17 GLU HA 1 17 GLU HB3 2.500 . 3.500 2.656 2.301 2.673 . 0 0 "[ . 1 . 2 ]" 2
139 1 17 GLU HA 1 17 GLU HB2 2.500 . 3.500 2.986 2.984 2.988 . 0 0 "[ . 1 . 2 ]" 2
140 1 17 GLU HA 1 18 SER H 4.000 . 5.000 3.401 2.861 3.589 . 0 0 "[ . 1 . 2 ]" 2
141 1 17 GLU H 1 17 GLU HA 2.500 . 3.500 2.986 2.978 2.987 . 0 0 "[ . 1 . 2 ]" 2
142 1 17 GLU H 1 18 SER H 1.900 . 2.900 2.780 2.224 2.915 0.015 3 0 "[ . 1 . 2 ]" 2
143 1 17 GLU HB2 1 18 SER H 4.000 . 5.000 2.762 2.237 4.291 . 0 0 "[ . 1 . 2 ]" 2
144 1 17 GLU H 1 17 GLU QG 2.500 . 3.500 3.240 1.934 3.416 . 0 0 "[ . 1 . 2 ]" 2
145 1 17 GLU H 1 17 GLU HB2 2.500 . 3.500 2.356 2.327 2.870 . 0 0 "[ . 1 . 2 ]" 2
146 1 17 GLU H 1 17 GLU HB3 2.500 . 3.500 3.561 3.552 3.694 0.194 10 0 "[ . 1 . 2 ]" 2
147 1 17 GLU HB3 1 18 SER H 4.000 . 5.000 2.872 2.201 4.601 . 0 0 "[ . 1 . 2 ]" 2
148 1 17 GLU HB3 1 18 SER QB 4.000 . 5.000 3.962 3.636 5.008 0.008 10 0 "[ . 1 . 2 ]" 2
149 1 17 GLU QG 1 18 SER QB 4.500 . 5.500 5.444 4.769 5.517 0.017 9 0 "[ . 1 . 2 ]" 2
150 1 17 GLU HA 1 32 PHE HB2 2.500 . 3.500 3.277 2.201 3.527 0.027 15 0 "[ . 1 . 2 ]" 2
151 1 17 GLU HA 1 32 PHE QD 4.000 . 5.000 3.963 3.134 4.494 . 0 0 "[ . 1 . 2 ]" 2
152 1 18 SER QB 1 19 LEU H 1.900 . 2.900 2.883 2.696 2.939 0.039 9 0 "[ . 1 . 2 ]" 2
153 1 18 SER HA 1 19 LEU H 1.900 . 2.900 2.284 2.255 2.339 . 0 0 "[ . 1 . 2 ]" 2
154 1 18 SER H 1 18 SER HA 2.500 . 3.500 2.938 2.747 2.991 . 0 0 "[ . 1 . 2 ]" 2
155 1 18 SER HA 1 32 PHE QE 2.500 . 3.500 3.098 2.459 3.509 0.009 19 0 "[ . 1 . 2 ]" 2
156 1 18 SER QB 1 20 GLY H 4.000 . 5.000 2.937 2.134 4.038 . 0 0 "[ . 1 . 2 ]" 2
157 1 19 LEU QB 1 19 LEU MD2 3.000 . 4.000 2.155 2.036 2.361 . 0 0 "[ . 1 . 2 ]" 2
158 1 19 LEU HA 1 19 LEU MD2 4.500 . 5.500 2.945 1.995 4.105 . 0 0 "[ . 1 . 2 ]" 2
159 1 19 LEU H 1 19 LEU QB 2.500 . 3.500 2.366 2.070 3.008 . 0 0 "[ . 1 . 2 ]" 2
160 1 19 LEU H 1 19 LEU MD1 4.500 . 5.500 3.187 1.644 4.286 0.156 3 0 "[ . 1 . 2 ]" 2
161 1 19 LEU H 1 20 GLY H 1.900 . 2.900 2.837 2.466 2.926 0.026 22 0 "[ . 1 . 2 ]" 2
162 1 19 LEU H 1 19 LEU HA 2.500 . 3.500 2.854 2.783 2.946 . 0 0 "[ . 1 . 2 ]" 2
163 1 19 LEU QB 1 20 GLY H 4.000 . 5.000 2.864 1.936 3.930 . 0 0 "[ . 1 . 2 ]" 2
164 1 19 LEU QB 1 22 TRP H 4.000 . 5.000 4.738 3.754 5.016 0.016 9 0 "[ . 1 . 2 ]" 2
165 1 19 LEU QD 1 23 SER H 5.000 . 6.000 4.870 3.670 6.027 0.027 2 0 "[ . 1 . 2 ]" 2
166 1 19 LEU H 1 32 PHE QE 2.500 . 3.500 3.522 3.511 3.541 0.041 3 0 "[ . 1 . 2 ]" 2
167 1 19 LEU MD2 1 22 TRP H 4.500 . 5.500 5.035 2.693 5.509 0.009 11 0 "[ . 1 . 2 ]" 2
168 1 20 GLY H 1 20 GLY QA 2.500 . 3.500 2.325 2.235 2.400 . 0 0 "[ . 1 . 2 ]" 2
169 1 20 GLY QA 1 21 PRO QD 1.900 . 2.900 2.008 1.973 2.040 . 0 0 "[ . 1 . 2 ]" 2
170 1 21 PRO QD 1 22 TRP H 4.000 . 5.000 2.665 2.171 3.043 . 0 0 "[ . 1 . 2 ]" 2
171 1 21 PRO QD 1 22 TRP HD1 4.000 . 5.000 2.690 2.181 3.604 . 0 0 "[ . 1 . 2 ]" 2
172 1 21 PRO HA 1 22 TRP H 4.000 . 5.000 3.426 3.228 3.558 . 0 0 "[ . 1 . 2 ]" 2
173 1 21 PRO QB 1 55 TYR QE 2.500 . 3.500 2.894 2.147 3.508 0.008 16 0 "[ . 1 . 2 ]" 2
174 1 21 PRO QG 1 55 TYR QE 2.500 . 3.500 3.205 2.152 3.549 0.049 3 0 "[ . 1 . 2 ]" 2
175 1 22 TRP HA 1 23 SER H 2.500 . 3.500 2.641 2.323 2.820 . 0 0 "[ . 1 . 2 ]" 2
176 1 22 TRP QB 1 23 SER H 4.000 . 5.000 2.079 1.782 2.790 0.018 15 0 "[ . 1 . 2 ]" 2
177 1 22 TRP HA 1 22 TRP QB 2.500 . 3.500 2.443 2.401 2.497 . 0 0 "[ . 1 . 2 ]" 2
178 1 22 TRP H 1 22 TRP HA 2.500 . 3.500 2.852 2.781 2.912 . 0 0 "[ . 1 . 2 ]" 2
179 1 22 TRP H 1 22 TRP HD1 2.500 . 3.500 2.027 1.769 2.384 0.031 3 0 "[ . 1 . 2 ]" 2
180 1 22 TRP HE3 1 53 LEU MD1 4.500 . 5.500 3.077 1.910 4.835 . 0 0 "[ . 1 . 2 ]" 2
181 1 22 TRP QB 1 53 LEU MD1 4.500 . 5.500 3.982 3.013 5.126 . 0 0 "[ . 1 . 2 ]" 2
182 1 22 TRP HH2 1 146 VAL QG 4.500 . 5.500 2.052 1.861 3.014 . 0 0 "[ . 1 . 2 ]" 2
183 1 22 TRP HZ2 1 146 VAL QG 3.000 . 4.000 2.415 2.018 3.471 . 0 0 "[ . 1 . 2 ]" 2
184 1 22 TRP HA 1 55 TYR QD 2.500 . 3.500 2.406 2.179 3.132 . 0 0 "[ . 1 . 2 ]" 2
185 1 22 TRP HZ3 1 54 VAL HA 4.000 . 5.000 4.916 4.279 5.040 0.040 10 0 "[ . 1 . 2 ]" 2
186 1 22 TRP HE1 1 129 VAL QG 4.500 . 5.500 5.349 4.762 5.514 0.014 20 0 "[ . 1 . 2 ]" 2
187 1 22 TRP HE3 1 54 VAL H 4.000 . 5.000 3.475 2.937 4.541 . 0 0 "[ . 1 . 2 ]" 2
188 1 22 TRP HH2 1 131 PHE HZ 4.000 . 5.000 3.640 2.198 5.005 0.005 14 0 "[ . 1 . 2 ]" 2
189 1 22 TRP HZ3 1 131 PHE QE 4.000 . 5.000 3.519 2.336 4.422 . 0 0 "[ . 1 . 2 ]" 2
190 1 22 TRP HD1 1 55 TYR QD 2.500 . 3.500 3.470 2.673 3.572 0.072 10 0 "[ . 1 . 2 ]" 2
191 1 22 TRP HZ3 1 131 PHE QD 4.000 . 5.000 4.068 3.435 4.861 . 0 0 "[ . 1 . 2 ]" 2
192 1 22 TRP HE3 1 53 LEU QB 2.500 . 3.500 2.887 2.152 3.544 0.044 11 0 "[ . 1 . 2 ]" 2
193 1 22 TRP HH2 1 68 LEU HG 4.000 . 5.000 5.042 5.018 5.085 0.085 7 0 "[ . 1 . 2 ]" 2
194 1 22 TRP HZ3 1 129 VAL QG 4.500 . 5.500 2.993 2.414 3.950 . 0 0 "[ . 1 . 2 ]" 2
195 1 22 TRP HH2 1 129 VAL QG 3.000 . 4.000 2.962 2.506 3.514 . 0 0 "[ . 1 . 2 ]" 2
196 1 22 TRP HZ3 1 53 LEU MD1 4.500 . 5.500 3.564 2.072 5.507 0.007 1 0 "[ . 1 . 2 ]" 2
197 1 22 TRP HE3 1 53 LEU MD2 4.500 . 5.500 4.480 3.040 5.512 0.012 20 0 "[ . 1 . 2 ]" 2
198 1 23 SER H 1 23 SER HB3 4.000 . 5.000 3.711 3.562 3.819 . 0 0 "[ . 1 . 2 ]" 2
199 1 23 SER H 1 23 SER HB2 2.500 . 3.500 2.647 2.341 2.931 . 0 0 "[ . 1 . 2 ]" 2
200 1 23 SER HA 1 24 LEU H 1.900 . 2.900 2.437 2.199 2.598 . 0 0 "[ . 1 . 2 ]" 2
201 1 23 SER HA 1 23 SER HB3 2.500 . 3.500 2.629 2.310 2.685 . 0 0 "[ . 1 . 2 ]" 2
202 1 23 SER HB2 1 54 VAL HB 4.000 . 5.000 2.916 2.191 4.687 . 0 0 "[ . 1 . 2 ]" 2
203 1 23 SER H 1 55 TYR HA 4.000 . 5.000 3.877 3.087 4.655 . 0 0 "[ . 1 . 2 ]" 2
204 1 23 SER HB3 1 54 VAL HB 4.000 . 5.000 3.888 2.797 5.064 0.064 4 0 "[ . 1 . 2 ]" 2
205 1 23 SER HB3 1 54 VAL QG 3.000 . 4.000 2.913 2.111 4.016 0.016 13 0 "[ . 1 . 2 ]" 2
206 1 23 SER H 1 53 LEU QB 4.000 . 5.000 3.947 3.310 4.693 . 0 0 "[ . 1 . 2 ]" 2
207 1 23 SER H 1 53 LEU MD1 4.500 . 5.500 4.960 3.760 5.546 0.046 7 0 "[ . 1 . 2 ]" 2
208 1 24 LEU HA 1 24 LEU MD2 3.000 . 4.000 3.696 2.261 4.066 0.066 15 0 "[ . 1 . 2 ]" 2
209 1 24 LEU HA 1 24 LEU MD1 3.000 . 4.000 3.532 2.033 4.092 0.092 8 0 "[ . 1 . 2 ]" 2
210 1 24 LEU QB 1 24 LEU MD2 3.000 . 4.000 2.085 2.023 2.237 . 0 0 "[ . 1 . 2 ]" 2
211 1 24 LEU QB 1 24 LEU MD1 3.000 . 4.000 2.114 2.031 2.386 . 0 0 "[ . 1 . 2 ]" 2
212 1 24 LEU HA 1 25 TYR H 1.900 . 2.900 2.299 2.202 2.481 . 0 0 "[ . 1 . 2 ]" 2
213 1 24 LEU HA 1 24 LEU QB 2.500 . 3.500 2.239 2.164 2.532 . 0 0 "[ . 1 . 2 ]" 2
214 1 24 LEU MD2 1 24 LEU HG 2.400 . 3.400 2.134 2.110 2.152 . 0 0 "[ . 1 . 2 ]" 2
215 1 24 LEU MD1 1 25 TYR H 4.500 . 5.500 3.752 1.798 5.088 0.002 14 0 "[ . 1 . 2 ]" 2
216 1 24 LEU HA 1 24 LEU QD 2.900 . 3.900 3.135 2.025 3.418 . 0 0 "[ . 1 . 2 ]" 2
217 1 24 LEU H 1 24 LEU QD 3.500 . 4.500 2.955 1.776 4.038 0.024 9 0 "[ . 1 . 2 ]" 2
218 1 24 LEU QB 1 25 TYR H 2.500 . 3.500 2.967 2.427 3.541 0.041 14 0 "[ . 1 . 2 ]" 2
219 1 24 LEU HA 1 24 LEU HG 4.000 . 5.000 3.345 2.178 4.263 . 0 0 "[ . 1 . 2 ]" 2
220 1 24 LEU QD 1 30 PRO QD 3.500 . 4.500 2.539 1.922 4.119 . 0 0 "[ . 1 . 2 ]" 2
221 1 24 LEU MD2 1 30 PRO QD 4.500 . 5.500 3.400 2.044 5.505 0.005 21 0 "[ . 1 . 2 ]" 2
222 1 24 LEU MD1 1 30 PRO QD 4.500 . 5.500 3.022 1.939 4.842 . 0 0 "[ . 1 . 2 ]" 2
223 1 25 TYR HA 1 26 GLY H 1.900 . 2.900 2.526 2.222 2.784 . 0 0 "[ . 1 . 2 ]" 2
224 1 25 TYR HA 1 25 TYR QB 2.500 . 3.500 2.182 2.175 2.189 . 0 0 "[ . 1 . 2 ]" 2
225 1 25 TYR QB 1 25 TYR QD 2.500 . 3.500 2.241 2.185 2.288 . 0 0 "[ . 1 . 2 ]" 2
226 1 25 TYR H 1 25 TYR QD 2.500 . 3.500 2.125 1.997 2.290 . 0 0 "[ . 1 . 2 ]" 2
227 1 25 TYR HA 1 25 TYR QD 4.000 . 5.000 3.499 3.428 3.608 . 0 0 "[ . 1 . 2 ]" 2
228 1 25 TYR QB 1 26 GLY H 2.500 . 3.500 2.392 1.796 3.212 0.004 14 0 "[ . 1 . 2 ]" 2
229 1 25 TYR HA 1 27 THR H 4.000 . 5.000 3.268 3.009 3.820 . 0 0 "[ . 1 . 2 ]" 2
230 1 25 TYR QD 1 52 GLY QA 4.000 . 5.000 4.907 4.724 5.008 0.008 10 0 "[ . 1 . 2 ]" 2
231 1 25 TYR QE 1 52 GLY QA 4.000 . 5.000 4.977 4.500 5.033 0.033 13 0 "[ . 1 . 2 ]" 2
232 1 25 TYR QE 1 54 VAL QG 3.000 . 4.000 2.948 2.057 4.005 0.005 16 0 "[ . 1 . 2 ]" 2
233 1 25 TYR QD 1 51 ALA HA 4.000 . 5.000 4.055 3.008 4.912 . 0 0 "[ . 1 . 2 ]" 2
234 1 25 TYR H 1 52 GLY H 2.500 . 3.500 3.075 2.597 3.502 0.002 6 0 "[ . 1 . 2 ]" 2
235 1 25 TYR QD 1 54 VAL QG 4.500 . 5.500 3.815 3.132 5.093 . 0 0 "[ . 1 . 2 ]" 2
236 1 26 GLY H 1 26 GLY QA 2.500 . 3.500 2.323 2.259 2.492 . 0 0 "[ . 1 . 2 ]" 2
237 1 26 GLY QA 1 27 THR H 4.000 . 5.000 2.852 2.745 2.940 . 0 0 "[ . 1 . 2 ]" 2
238 1 26 GLY H 1 27 THR H 2.500 . 3.500 2.785 2.324 3.096 . 0 0 "[ . 1 . 2 ]" 2
239 1 26 GLY QA 1 51 ALA MB 2.400 . 3.400 2.672 1.914 3.337 . 0 0 "[ . 1 . 2 ]" 2
240 1 27 THR HB 1 28 SER H 1.900 . 2.900 3.031 2.970 3.107 0.207 3 0 "[ . 1 . 2 ]" 2
241 1 27 THR HA 1 27 THR HB 2.500 . 3.500 2.293 2.274 2.362 . 0 0 "[ . 1 . 2 ]" 2
242 1 27 THR H 1 27 THR MG 4.500 . 5.500 1.796 1.789 1.803 0.011 18 0 "[ . 1 . 2 ]" 2
243 1 27 THR HA 1 27 THR MG 3.000 . 4.000 3.095 3.069 3.173 . 0 0 "[ . 1 . 2 ]" 2
244 1 27 THR HA 1 28 SER H 2.500 . 3.500 3.049 3.027 3.063 . 0 0 "[ . 1 . 2 ]" 2
245 1 27 THR MG 1 28 SER H 3.000 . 4.000 2.947 2.513 3.089 . 0 0 "[ . 1 . 2 ]" 2
246 1 27 THR H 1 27 THR HB 4.000 . 5.000 3.390 3.210 3.438 . 0 0 "[ . 1 . 2 ]" 2
247 1 27 THR HB 1 39 VAL HB 2.500 . 3.500 3.538 3.510 3.566 0.066 19 0 "[ . 1 . 2 ]" 2
248 1 27 THR HB 1 39 VAL QG 2.900 . 3.900 3.778 3.484 3.920 0.020 13 0 "[ . 1 . 2 ]" 2
249 1 27 THR MG 1 52 GLY H 4.500 . 5.500 2.636 1.949 4.123 . 0 0 "[ . 1 . 2 ]" 2
250 1 27 THR MG 1 41 LEU MD2 2.900 . 3.900 2.942 2.152 3.691 . 0 0 "[ . 1 . 2 ]" 2
251 1 27 THR MG 1 133 LEU MD1 2.900 . 3.900 3.868 3.660 3.929 0.029 7 0 "[ . 1 . 2 ]" 2
252 1 27 THR HA 1 41 LEU MD1 3.000 . 4.000 3.372 2.220 3.960 . 0 0 "[ . 1 . 2 ]" 2
253 1 27 THR HB 1 39 VAL MG2 4.500 . 5.500 4.203 3.732 4.594 . 0 0 "[ . 1 . 2 ]" 2
254 1 28 SER HB2 1 29 GLU H 2.500 . 3.500 2.614 1.792 3.326 0.008 18 0 "[ . 1 . 2 ]" 2
255 1 28 SER HB3 1 29 GLU H 4.000 . 5.000 3.812 3.326 4.290 . 0 0 "[ . 1 . 2 ]" 2
256 1 28 SER H 1 28 SER HB3 2.500 . 3.500 2.876 2.437 3.041 . 0 0 "[ . 1 . 2 ]" 2
257 1 28 SER HA 1 29 GLU H 2.500 . 3.500 2.497 2.211 2.962 . 0 0 "[ . 1 . 2 ]" 2
258 1 28 SER HA 1 28 SER HB3 2.500 . 3.500 2.437 2.362 2.668 . 0 0 "[ . 1 . 2 ]" 2
259 1 28 SER H 1 28 SER HB2 4.000 . 5.000 3.638 3.600 3.679 . 0 0 "[ . 1 . 2 ]" 2
260 1 28 SER HA 1 28 SER HB2 1.900 . 2.900 2.513 2.314 2.593 . 0 0 "[ . 1 . 2 ]" 2
261 1 28 SER H 1 28 SER HA 2.500 . 3.500 2.962 2.958 2.966 . 0 0 "[ . 1 . 2 ]" 2
262 1 28 SER HB3 1 40 ASP HB2 2.500 . 3.500 2.453 2.200 3.501 0.001 2 0 "[ . 1 . 2 ]" 2
263 1 28 SER HB2 1 40 ASP HB2 4.000 . 5.000 3.437 2.920 4.441 . 0 0 "[ . 1 . 2 ]" 2
264 1 28 SER H 1 39 VAL HB 4.000 . 5.000 3.175 2.947 3.707 . 0 0 "[ . 1 . 2 ]" 2
265 1 28 SER H 1 40 ASP H 4.000 . 5.000 3.136 2.404 4.422 . 0 0 "[ . 1 . 2 ]" 2
266 1 29 GLU HA 1 29 GLU QB 2.500 . 3.500 2.323 2.183 2.536 . 0 0 "[ . 1 . 2 ]" 2
267 1 29 GLU HA 1 30 PRO QD 1.900 . 2.900 1.997 1.974 2.018 . 0 0 "[ . 1 . 2 ]" 2
268 1 29 GLU H 1 29 GLU QB 1.900 . 2.900 2.541 2.153 2.898 . 0 0 "[ . 1 . 2 ]" 2
269 1 29 GLU QB 1 29 GLU QG 1.900 . 2.900 2.070 1.997 2.106 . 0 0 "[ . 1 . 2 ]" 2
270 1 29 GLU QB 1 30 PRO QD 4.000 . 5.000 3.354 2.780 3.715 . 0 0 "[ . 1 . 2 ]" 2
271 1 29 GLU H 1 29 GLU QG 4.000 . 5.000 2.570 1.801 4.071 . 0 0 "[ . 1 . 2 ]" 2
272 1 30 PRO HA 1 31 VAL H 1.900 . 2.900 2.340 2.224 2.505 . 0 0 "[ . 1 . 2 ]" 2
273 1 30 PRO QB 1 31 VAL H 4.000 . 5.000 2.972 2.623 3.288 . 0 0 "[ . 1 . 2 ]" 2
274 1 30 PRO HA 1 39 VAL MG1 2.400 . 3.400 2.217 1.944 2.466 . 0 0 "[ . 1 . 2 ]" 2
275 1 30 PRO QB 1 39 VAL QG 3.500 . 4.500 2.367 1.883 2.834 . 0 0 "[ . 1 . 2 ]" 2
276 1 30 PRO QB 1 39 VAL MG1 3.000 . 4.000 2.381 1.886 2.865 . 0 0 "[ . 1 . 2 ]" 2
277 1 30 PRO HA 1 39 VAL HA 1.900 . 2.900 2.940 2.910 2.971 0.071 19 0 "[ . 1 . 2 ]" 2
278 1 31 VAL QG 1 32 PHE H 3.500 . 4.500 2.919 2.440 3.513 . 0 0 "[ . 1 . 2 ]" 2
279 1 31 VAL H 1 31 VAL HA 2.500 . 3.500 2.978 2.952 2.995 . 0 0 "[ . 1 . 2 ]" 2
280 1 31 VAL HA 1 32 PHE H 1.900 . 2.900 2.203 2.175 2.283 . 0 0 "[ . 1 . 2 ]" 2
281 1 31 VAL HA 1 31 VAL HB 2.500 . 3.500 2.962 2.480 3.033 . 0 0 "[ . 1 . 2 ]" 2
282 1 31 VAL HA 1 31 VAL QG 2.900 . 3.900 2.089 2.010 2.277 . 0 0 "[ . 1 . 2 ]" 2
283 1 31 VAL H 1 31 VAL HB 2.500 . 3.500 2.881 2.643 3.488 . 0 0 "[ . 1 . 2 ]" 2
284 1 31 VAL H 1 31 VAL QG 2.900 . 3.900 2.669 1.800 3.127 . 13 0 "[ . 1 . 2 ]" 2
285 1 31 VAL HB 1 32 PHE H 4.000 . 5.000 4.322 3.815 4.594 . 0 0 "[ . 1 . 2 ]" 2
286 1 31 VAL HA 1 32 PHE QD 4.000 . 5.000 3.705 3.395 4.163 . 0 0 "[ . 1 . 2 ]" 2
287 1 31 VAL H 1 39 VAL MG1 4.500 . 5.500 3.856 3.617 4.067 . 0 0 "[ . 1 . 2 ]" 2
288 1 31 VAL HB 1 38 CYS QB 4.000 . 5.000 4.535 3.918 5.008 0.008 14 0 "[ . 1 . 2 ]" 2
289 1 31 VAL QG 1 33 ALA MB 3.400 . 4.400 3.227 2.200 4.289 . 0 0 "[ . 1 . 2 ]" 2
290 1 31 VAL H 1 38 CYS H 2.500 . 3.500 2.523 2.257 2.683 . 0 0 "[ . 1 . 2 ]" 2
291 1 31 VAL HB 1 38 CYS H 4.000 . 5.000 3.800 3.131 4.545 . 0 0 "[ . 1 . 2 ]" 2
292 1 32 PHE HA 1 32 PHE HB3 2.500 . 3.500 2.298 2.285 2.307 . 0 0 "[ . 1 . 2 ]" 2
293 1 32 PHE HB2 1 32 PHE QD 2.500 . 3.500 2.713 2.454 2.786 . 0 0 "[ . 1 . 2 ]" 2
294 1 32 PHE HA 1 32 PHE QD 4.000 . 5.000 3.525 3.464 3.651 . 0 0 "[ . 1 . 2 ]" 2
295 1 32 PHE H 1 32 PHE HB2 4.000 . 5.000 3.512 3.503 3.528 . 0 0 "[ . 1 . 2 ]" 2
296 1 32 PHE H 1 32 PHE HB3 4.000 . 5.000 3.098 3.019 3.215 . 0 0 "[ . 1 . 2 ]" 2
297 1 32 PHE H 1 32 PHE QD 4.000 . 5.000 2.210 1.874 2.725 . 0 0 "[ . 1 . 2 ]" 2
298 1 32 PHE HA 1 33 ALA H 1.900 . 2.900 2.330 2.181 2.458 . 0 0 "[ . 1 . 2 ]" 2
299 1 32 PHE HA 1 32 PHE HB2 2.500 . 3.500 2.677 2.671 2.683 . 0 0 "[ . 1 . 2 ]" 2
300 1 32 PHE HA 1 37 MET HA 2.500 . 3.500 2.129 2.009 2.179 . 0 0 "[ . 1 . 2 ]" 2
301 1 32 PHE HA 1 36 ARG QG 4.000 . 5.000 4.499 4.118 4.925 . 0 0 "[ . 1 . 2 ]" 2
302 1 32 PHE HA 1 36 ARG QB 4.000 . 5.000 5.043 5.010 5.100 0.100 7 0 "[ . 1 . 2 ]" 2
303 1 33 ALA MB 1 34 ASP H 3.000 . 4.000 1.799 1.754 1.821 0.046 15 0 "[ . 1 . 2 ]" 2
304 1 33 ALA H 1 33 ALA MB 3.000 . 4.000 2.228 2.155 2.428 . 0 0 "[ . 1 . 2 ]" 2
305 1 33 ALA HA 1 34 ASP H 2.500 . 3.500 3.148 3.075 3.392 . 0 0 "[ . 1 . 2 ]" 2
306 1 33 ALA H 1 33 ALA HA 2.500 . 3.500 2.876 2.816 2.993 . 0 0 "[ . 1 . 2 ]" 2
307 1 33 ALA H 1 36 ARG H 2.500 . 3.500 3.442 2.903 3.541 0.041 6 0 "[ . 1 . 2 ]" 2
308 1 33 ALA H 1 37 MET HA 1.900 . 2.900 2.943 2.907 3.002 0.102 2 0 "[ . 1 . 2 ]" 2
309 1 34 ASP HA 1 34 ASP QB 2.500 . 3.500 2.358 2.168 2.540 . 0 0 "[ . 1 . 2 ]" 2
310 1 34 ASP H 1 35 GLY H 4.000 . 5.000 3.485 2.758 4.107 . 0 0 "[ . 1 . 2 ]" 2
311 1 34 ASP H 1 34 ASP HA 1.800 . 2.800 2.794 2.716 2.870 0.070 11 0 "[ . 1 . 2 ]" 2
312 1 34 ASP HA 1 35 GLY H 2.800 . 3.800 3.079 2.341 3.588 . 0 0 "[ . 1 . 2 ]" 2
313 1 35 GLY H 1 36 ARG H 2.500 . 3.500 2.579 1.785 3.095 0.015 11 0 "[ . 1 . 2 ]" 2
314 1 36 ARG H 1 36 ARG QG 2.500 . 3.500 2.246 1.792 2.798 0.008 7 0 "[ . 1 . 2 ]" 2
315 1 36 ARG QB 1 36 ARG QG 1.900 . 2.900 2.090 2.066 2.107 . 0 0 "[ . 1 . 2 ]" 2
316 1 36 ARG QB 1 36 ARG QD 2.500 . 3.500 2.193 2.030 2.631 . 0 0 "[ . 1 . 2 ]" 2
317 1 36 ARG HA 1 37 MET H 1.900 . 2.900 2.297 2.242 2.489 . 0 0 "[ . 1 . 2 ]" 2
318 1 36 ARG H 1 36 ARG QD 4.000 . 5.000 4.107 3.620 4.526 . 0 0 "[ . 1 . 2 ]" 2
319 1 36 ARG QB 1 37 MET H 1.900 . 2.900 2.829 2.273 2.927 0.027 2 0 "[ . 1 . 2 ]" 2
320 1 36 ARG QB 1 36 ARG HE 2.500 . 3.500 2.944 2.357 3.618 0.118 5 0 "[ . 1 . 2 ]" 2
321 1 36 ARG QD 1 36 ARG HE 2.500 . 3.500 2.385 2.217 2.525 . 0 0 "[ . 1 . 2 ]" 2
322 1 36 ARG HA 1 144 SER HA 4.000 . 5.000 2.629 2.189 3.296 . 0 0 "[ . 1 . 2 ]" 2
323 1 36 ARG QB 1 144 SER HA 4.000 . 5.000 3.766 2.714 4.465 . 0 0 "[ . 1 . 2 ]" 2
324 1 36 ARG QB 1 144 SER HB3 2.500 . 3.500 2.217 1.964 2.807 . 0 0 "[ . 1 . 2 ]" 2
325 1 36 ARG QB 1 144 SER HB2 2.500 . 3.500 3.133 2.605 3.504 0.004 14 0 "[ . 1 . 2 ]" 2
326 1 36 ARG QB 1 142 CYS HB3 2.500 . 3.500 3.522 3.433 3.557 0.057 2 0 "[ . 1 . 2 ]" 2
327 1 36 ARG QD 1 142 CYS HB3 2.500 . 3.500 3.445 2.965 3.531 0.031 1 0 "[ . 1 . 2 ]" 2
328 1 37 MET QB 1 37 MET ME 3.000 . 4.000 2.772 2.072 3.661 . 0 0 "[ . 1 . 2 ]" 2
329 1 37 MET H 1 37 MET QB 2.500 . 3.500 2.465 2.300 2.979 . 0 0 "[ . 1 . 2 ]" 2
330 1 37 MET H 1 37 MET ME 4.500 . 5.500 4.653 4.052 5.185 . 0 0 "[ . 1 . 2 ]" 2
331 1 37 MET HA 1 38 CYS H 1.900 . 2.900 2.213 2.178 2.469 . 0 0 "[ . 1 . 2 ]" 2
332 1 37 MET H 1 37 MET HA 2.500 . 3.500 2.986 2.949 2.991 . 0 0 "[ . 1 . 2 ]" 2
333 1 37 MET QG 1 38 CYS H 2.500 . 3.500 2.798 2.312 3.559 0.059 14 0 "[ . 1 . 2 ]" 2
334 1 37 MET HA 1 37 MET QB 2.500 . 3.500 2.288 2.166 2.397 . 0 0 "[ . 1 . 2 ]" 2
335 1 37 MET H 1 144 SER HA 4.000 . 5.000 2.860 2.508 3.669 . 0 0 "[ . 1 . 2 ]" 2
336 1 37 MET ME 1 143 ILE MG 2.400 . 3.400 2.659 2.091 3.321 . 0 0 "[ . 1 . 2 ]" 2
337 1 37 MET ME 1 39 VAL MG2 3.500 . 4.500 3.482 2.167 4.393 . 0 0 "[ . 1 . 2 ]" 2
338 1 37 MET QG 1 39 VAL QG 5.000 . 6.000 3.340 2.678 4.021 . 0 0 "[ . 1 . 2 ]" 2
339 1 37 MET ME 1 39 VAL QG 5.500 . 6.500 2.668 1.777 3.580 0.023 15 0 "[ . 1 . 2 ]" 2
340 1 37 MET H 1 143 ILE H 4.000 . 5.000 3.691 3.076 4.106 . 0 0 "[ . 1 . 2 ]" 2
341 1 37 MET H 1 143 ILE MG 4.000 . 5.000 4.153 3.598 4.747 . 0 0 "[ . 1 . 2 ]" 2
342 1 38 CYS H 1 38 CYS QB 2.500 . 3.500 2.589 2.403 2.820 . 0 0 "[ . 1 . 2 ]" 2
343 1 38 CYS QB 1 39 VAL H 2.500 . 3.500 3.029 2.582 3.439 . 0 0 "[ . 1 . 2 ]" 2
344 1 38 CYS HA 1 39 VAL H 1.900 . 2.900 2.303 2.191 2.512 . 0 0 "[ . 1 . 2 ]" 2
345 1 38 CYS QB 1 39 VAL MG1 4.500 . 5.500 4.721 4.390 4.999 . 0 0 "[ . 1 . 2 ]" 2
346 1 39 VAL H 1 39 VAL MG1 4.500 . 5.500 3.235 3.029 3.519 . 0 0 "[ . 1 . 2 ]" 2
347 1 39 VAL HA 1 39 VAL MG1 3.000 . 4.000 2.176 2.104 2.279 . 0 0 "[ . 1 . 2 ]" 2
348 1 39 VAL H 1 39 VAL MG2 3.000 . 4.000 1.909 1.793 2.193 0.007 13 0 "[ . 1 . 2 ]" 2
349 1 39 VAL HA 1 40 ASP H 1.900 . 2.900 2.302 2.195 2.578 . 0 0 "[ . 1 . 2 ]" 2
350 1 39 VAL HA 1 39 VAL HB 2.500 . 3.500 2.634 2.516 2.720 . 0 0 "[ . 1 . 2 ]" 2
351 1 39 VAL HA 1 39 VAL QG 2.900 . 3.900 2.139 2.072 2.230 . 0 0 "[ . 1 . 2 ]" 2
352 1 39 VAL HB 1 40 ASP H 4.000 . 5.000 3.034 2.335 3.644 . 0 0 "[ . 1 . 2 ]" 2
353 1 39 VAL QG 1 40 ASP H 3.500 . 4.500 3.357 2.974 3.666 . 0 0 "[ . 1 . 2 ]" 2
354 1 39 VAL HA 1 39 VAL MG2 3.000 . 4.000 3.152 3.105 3.196 . 0 0 "[ . 1 . 2 ]" 2
355 1 39 VAL MG2 1 141 PHE H 4.500 . 5.500 2.703 1.907 3.361 . 0 0 "[ . 1 . 2 ]" 2
356 1 39 VAL MG2 1 141 PHE QD 3.000 . 4.000 2.971 2.464 3.482 . 0 0 "[ . 1 . 2 ]" 2
357 1 39 VAL MG2 1 141 PHE HB2 4.500 . 5.500 3.071 2.691 3.642 . 0 0 "[ . 1 . 2 ]" 2
358 1 39 VAL MG2 1 141 PHE HB3 3.000 . 4.000 2.079 1.904 2.387 . 0 0 "[ . 1 . 2 ]" 2
359 1 39 VAL H 1 141 PHE H 4.000 . 5.000 2.904 2.123 3.221 . 0 0 "[ . 1 . 2 ]" 2
360 1 39 VAL H 1 140 GLU QB 4.000 . 5.000 4.758 3.381 5.075 0.075 19 0 "[ . 1 . 2 ]" 2
361 1 40 ASP HA 1 41 LEU H 1.900 . 2.900 2.212 2.188 2.251 . 0 0 "[ . 1 . 2 ]" 2
362 1 40 ASP HA 1 40 ASP HB3 2.500 . 3.500 2.456 2.315 2.670 . 0 0 "[ . 1 . 2 ]" 2
363 1 40 ASP H 1 40 ASP HB2 2.500 . 3.500 2.563 2.196 2.927 . 0 0 "[ . 1 . 2 ]" 2
364 1 40 ASP HB3 1 41 LEU H 4.000 . 5.000 3.688 3.258 3.940 . 0 0 "[ . 1 . 2 ]" 2
365 1 40 ASP H 1 40 ASP HB3 4.000 . 5.000 3.643 3.518 3.904 . 0 0 "[ . 1 . 2 ]" 2
366 1 40 ASP HA 1 41 LEU MD2 4.500 . 5.500 3.706 2.658 5.522 0.022 21 0 "[ . 1 . 2 ]" 2
367 1 40 ASP H 1 40 ASP HA 2.500 . 3.500 2.931 2.895 2.986 . 0 0 "[ . 1 . 2 ]" 2
368 1 41 LEU H 1 41 LEU MD2 3.000 . 4.000 2.796 1.784 4.047 0.047 21 0 "[ . 1 . 2 ]" 2
369 1 41 LEU HA 1 41 LEU MD1 3.000 . 4.000 2.121 1.938 2.723 . 0 0 "[ . 1 . 2 ]" 2
370 1 41 LEU HA 1 42 PRO QD 2.500 . 3.500 2.223 2.020 2.778 . 0 0 "[ . 1 . 2 ]" 2
371 1 41 LEU HB2 1 41 LEU HG 2.500 . 3.500 2.591 2.382 3.036 . 0 0 "[ . 1 . 2 ]" 2
372 1 41 LEU HB3 1 41 LEU HG 2.500 . 3.500 2.463 2.346 2.561 . 0 0 "[ . 1 . 2 ]" 2
373 1 41 LEU H 1 41 LEU HB2 2.500 . 3.500 2.479 2.352 2.739 . 0 0 "[ . 1 . 2 ]" 2
374 1 41 LEU H 1 41 LEU HB3 4.000 . 5.000 3.661 3.584 3.795 . 0 0 "[ . 1 . 2 ]" 2
375 1 41 LEU HA 1 41 LEU HB3 2.500 . 3.500 2.610 2.391 2.676 . 0 0 "[ . 1 . 2 ]" 2
376 1 41 LEU MD1 1 42 PRO QD 3.000 . 4.000 3.456 2.877 4.037 0.037 1 0 "[ . 1 . 2 ]" 2
377 1 41 LEU HB2 1 41 LEU MD2 3.000 . 4.000 2.292 2.157 2.432 . 0 0 "[ . 1 . 2 ]" 2
378 1 41 LEU H 1 41 LEU HA 2.500 . 3.500 2.991 2.983 2.994 . 0 0 "[ . 1 . 2 ]" 2
379 1 41 LEU HA 1 41 LEU MD2 4.500 . 5.500 2.790 2.121 3.765 . 0 0 "[ . 1 . 2 ]" 2
380 1 41 LEU MD2 1 141 PHE HB2 4.500 . 5.500 3.432 2.202 4.405 . 0 0 "[ . 1 . 2 ]" 2
381 1 41 LEU MD2 1 141 PHE HB3 4.500 . 5.500 3.522 2.245 4.421 . 0 0 "[ . 1 . 2 ]" 2
382 1 41 LEU MD1 1 51 ALA MB 3.500 . 4.500 2.696 1.871 4.256 . 0 0 "[ . 1 . 2 ]" 2
383 1 41 LEU H 1 140 GLU HA 4.000 . 5.000 2.656 2.326 3.546 . 0 0 "[ . 1 . 2 ]" 2
384 1 41 LEU H 1 139 TYR H 4.000 . 5.000 4.359 3.242 4.697 . 0 0 "[ . 1 . 2 ]" 2
385 1 41 LEU HB2 1 139 TYR H 1.900 . 2.900 2.774 2.145 2.982 0.082 11 0 "[ . 1 . 2 ]" 2
386 1 41 LEU MD2 1 141 PHE H 4.500 . 5.500 3.395 2.001 4.914 . 0 0 "[ . 1 . 2 ]" 2
387 1 41 LEU MD2 1 139 TYR H 4.500 . 5.500 4.429 3.549 4.866 . 0 0 "[ . 1 . 2 ]" 2
388 1 42 PRO HA 1 43 GLY H 4.000 . 5.000 3.275 2.268 3.596 . 0 0 "[ . 1 . 2 ]" 2
389 1 42 PRO QB 1 43 GLY H 2.500 . 3.500 2.234 1.790 3.508 0.010 15 0 "[ . 1 . 2 ]" 2
390 1 42 PRO QD 1 43 GLY H 4.000 . 5.000 3.468 1.783 4.992 0.017 11 0 "[ . 1 . 2 ]" 2
391 1 42 PRO HA 1 138 ALA MB 4.500 . 5.500 4.067 2.391 5.577 0.077 11 0 "[ . 1 . 2 ]" 2
392 1 43 GLY H 1 43 GLY QA 2.500 . 3.500 2.403 2.227 2.533 . 0 0 "[ . 1 . 2 ]" 2
393 1 43 GLY QA 1 44 GLY H 4.000 . 5.000 2.262 2.161 2.534 . 0 0 "[ . 1 . 2 ]" 2
394 1 44 GLY H 1 45 GLN H 2.500 . 3.500 2.189 1.777 3.509 0.023 2 0 "[ . 1 . 2 ]" 2
395 1 44 GLY H 1 136 ALA HA 2.800 . 3.800 2.951 1.794 3.917 0.117 1 0 "[ . 1 . 2 ]" 2
396 1 44 GLY H 1 136 ALA MB 4.500 . 5.500 4.087 2.555 5.235 . 0 0 "[ . 1 . 2 ]" 2
397 1 45 GLN HA 1 46 GLY H 1.900 . 2.900 2.346 2.186 2.844 . 0 0 "[ . 1 . 2 ]" 2
398 1 45 GLN HA 1 45 GLN HB2 2.500 . 3.500 2.992 2.985 3.024 . 0 0 "[ . 1 . 2 ]" 2
399 1 45 GLN HA 1 45 GLN HB3 2.500 . 3.500 2.620 2.303 2.677 . 0 0 "[ . 1 . 2 ]" 2
400 1 45 GLN H 1 45 GLN QG 2.500 . 3.500 3.047 2.048 3.378 . 0 0 "[ . 1 . 2 ]" 2
401 1 45 GLN H 1 45 GLN HB2 2.500 . 3.500 2.353 2.254 2.857 . 0 0 "[ . 1 . 2 ]" 2
402 1 45 GLN H 1 45 GLN HB3 2.500 . 3.500 3.558 3.528 3.671 0.171 2 0 "[ . 1 . 2 ]" 2
403 1 45 GLN HE22 1 45 GLN QG 2.500 . 3.500 3.339 3.273 3.525 0.025 19 0 "[ . 1 . 2 ]" 2
404 1 45 GLN HB3 1 46 GLY H 4.000 . 5.000 3.536 2.065 4.488 . 0 0 "[ . 1 . 2 ]" 2
405 1 45 GLN HE21 1 45 GLN QG 1.900 . 2.900 2.392 2.215 2.904 0.004 19 0 "[ . 1 . 2 ]" 2
406 1 45 GLN HE22 1 51 ALA MB 3.000 . 4.000 3.148 1.798 4.005 0.005 19 0 "[ . 1 . 2 ]" 2
407 1 45 GLN HB3 1 50 ASP HB2 2.500 . 3.500 3.376 2.489 3.519 0.019 17 0 "[ . 1 . 2 ]" 2
408 1 45 GLN HE21 1 51 ALA MB 4.500 . 5.500 3.854 2.028 5.373 . 0 0 "[ . 1 . 2 ]" 2
409 1 45 GLN H 1 136 ALA HA 2.800 . 3.800 2.934 1.769 3.821 0.031 11 0 "[ . 1 . 2 ]" 2
410 1 45 GLN HB2 1 135 LYS H 2.500 . 3.500 3.351 2.690 3.542 0.042 10 0 "[ . 1 . 2 ]" 2
411 1 45 GLN HB3 1 135 LYS H 4.000 . 5.000 4.335 3.444 5.013 0.013 17 0 "[ . 1 . 2 ]" 2
412 1 46 GLY H 1 46 GLY QA 2.500 . 3.500 2.299 2.236 2.531 . 0 0 "[ . 1 . 2 ]" 2
413 1 46 GLY H 1 47 ASN H 2.500 . 3.500 3.050 1.790 3.510 0.010 12 0 "[ . 1 . 2 ]" 2
414 1 46 GLY QA 1 47 ASN H 2.500 . 3.500 2.676 2.458 2.927 . 0 0 "[ . 1 . 2 ]" 2
415 1 47 ASN HA 1 48 PRO QD 4.000 . 5.000 2.026 1.977 2.078 . 0 0 "[ . 1 . 2 ]" 2
416 1 47 ASN HB2 1 48 PRO QD 4.000 . 5.000 3.173 2.171 3.998 . 0 0 "[ . 1 . 2 ]" 2
417 1 47 ASN H 1 47 ASN HB2 4.000 . 5.000 3.774 3.534 3.943 . 0 0 "[ . 1 . 2 ]" 2
418 1 47 ASN H 1 47 ASN HB3 4.000 . 5.000 3.560 2.610 3.842 . 0 0 "[ . 1 . 2 ]" 2
419 1 47 ASN H 1 47 ASN HA 1.900 . 2.900 2.921 2.845 2.978 0.078 17 0 "[ . 1 . 2 ]" 2
420 1 47 ASN HB3 1 47 ASN HD22 4.000 . 5.000 3.899 3.511 4.115 . 0 0 "[ . 1 . 2 ]" 2
421 1 47 ASN HB2 1 47 ASN HD22 4.000 . 5.000 3.799 3.513 4.121 . 0 0 "[ . 1 . 2 ]" 2
422 1 47 ASN HB2 1 49 TRP H 4.000 . 5.000 2.847 2.409 3.755 . 0 0 "[ . 1 . 2 ]" 2
423 1 47 ASN HB3 1 49 TRP H 4.000 . 5.000 4.357 4.064 5.002 0.002 2 0 "[ . 1 . 2 ]" 2
424 1 47 ASN HB2 1 49 TRP HE1 4.000 . 5.000 3.752 2.379 5.037 0.037 17 0 "[ . 1 . 2 ]" 2
425 1 48 PRO QB 1 49 TRP H 4.000 . 5.000 3.162 2.159 3.924 . 0 0 "[ . 1 . 2 ]" 2
426 1 48 PRO QB 1 132 HIS QB 2.500 . 3.500 2.982 2.074 3.509 0.009 5 0 "[ . 1 . 2 ]" 2
427 1 48 PRO HA 1 134 GLY H 4.000 . 5.000 3.834 2.616 5.008 0.008 9 0 "[ . 1 . 2 ]" 2
428 1 49 TRP HA 1 49 TRP HB2 2.500 . 3.500 2.591 2.302 2.681 . 0 0 "[ . 1 . 2 ]" 2
429 1 49 TRP HA 1 49 TRP HB3 2.500 . 3.500 2.370 2.298 2.626 . 0 0 "[ . 1 . 2 ]" 2
430 1 49 TRP HA 1 50 ASP H 4.000 . 5.000 2.814 2.514 3.075 . 0 0 "[ . 1 . 2 ]" 2
431 1 49 TRP H 1 50 ASP H 2.500 . 3.500 3.066 2.555 3.522 0.022 13 0 "[ . 1 . 2 ]" 2
432 1 49 TRP H 1 49 TRP HB2 4.000 . 5.000 3.621 3.522 3.794 . 0 0 "[ . 1 . 2 ]" 2
433 1 49 TRP H 1 49 TRP HB3 2.500 . 3.500 3.107 2.632 3.505 0.005 19 0 "[ . 1 . 2 ]" 2
434 1 49 TRP H 1 49 TRP HE3 2.500 . 3.500 2.974 1.696 3.560 0.104 17 0 "[ . 1 . 2 ]" 2
435 1 49 TRP HA 1 51 ALA H 4.000 . 5.000 3.631 2.929 5.023 0.023 17 0 "[ . 1 . 2 ]" 2
436 1 50 ASP HA 1 50 ASP HB3 2.500 . 3.500 2.635 2.448 2.676 . 0 0 "[ . 1 . 2 ]" 2
437 1 50 ASP H 1 50 ASP HB3 4.000 . 5.000 3.684 3.522 3.896 . 0 0 "[ . 1 . 2 ]" 2
438 1 50 ASP HA 1 51 ALA H 4.000 . 5.000 3.172 2.776 3.591 . 0 0 "[ . 1 . 2 ]" 2
439 1 50 ASP H 1 51 ALA H 2.500 . 3.500 2.282 1.795 2.781 0.005 13 0 "[ . 1 . 2 ]" 2
440 1 50 ASP H 1 50 ASP HB2 1.900 . 2.900 2.537 2.210 2.921 0.021 17 0 "[ . 1 . 2 ]" 2
441 1 51 ALA MB 1 52 GLY H 3.000 . 4.000 2.923 1.971 3.581 . 0 0 "[ . 1 . 2 ]" 2
442 1 51 ALA H 1 51 ALA MB 3.000 . 4.000 2.830 2.245 3.020 . 0 0 "[ . 1 . 2 ]" 2
443 1 51 ALA HA 1 52 GLY H 1.900 . 2.900 2.330 2.192 2.720 . 0 0 "[ . 1 . 2 ]" 2
444 1 51 ALA MB 1 134 GLY H 4.500 . 5.500 3.598 2.360 4.933 . 0 0 "[ . 1 . 2 ]" 2
445 1 51 ALA MB 1 133 LEU MD1 5.000 . 6.000 3.467 2.821 4.867 . 0 0 "[ . 1 . 2 ]" 2
446 1 51 ALA H 1 134 GLY H 4.000 . 5.000 4.627 3.558 5.039 0.039 2 0 "[ . 1 . 2 ]" 2
447 1 51 ALA H 1 134 GLY QA 4.000 . 5.000 4.298 2.659 5.004 0.004 18 0 "[ . 1 . 2 ]" 2
448 1 51 ALA MB 1 134 GLY QA 4.500 . 5.500 2.957 2.032 4.188 . 0 0 "[ . 1 . 2 ]" 2
449 1 52 GLY QA 1 53 LEU H 2.500 . 3.500 2.304 2.242 2.329 . 0 0 "[ . 1 . 2 ]" 2
450 1 52 GLY H 1 52 GLY QA 2.500 . 3.500 2.488 2.349 2.534 . 0 0 "[ . 1 . 2 ]" 2
451 1 52 GLY QA 1 133 LEU H 2.500 . 3.500 3.363 2.965 3.514 0.014 2 0 "[ . 1 . 2 ]" 2
452 1 53 LEU MD1 1 54 VAL H 3.000 . 4.000 3.823 2.595 4.113 0.113 7 0 "[ . 1 . 2 ]" 2
453 1 53 LEU HA 1 53 LEU MD1 3.000 . 4.000 3.488 2.006 4.050 0.050 6 0 "[ . 1 . 2 ]" 2
454 1 53 LEU QB 1 53 LEU MD2 3.000 . 4.000 2.234 2.066 2.413 . 0 0 "[ . 1 . 2 ]" 2
455 1 53 LEU QB 1 53 LEU MD1 3.000 . 4.000 2.099 2.010 2.385 . 0 0 "[ . 1 . 2 ]" 2
456 1 53 LEU HA 1 54 VAL H 1.900 . 2.900 2.539 2.219 2.743 . 0 0 "[ . 1 . 2 ]" 2
457 1 53 LEU H 1 53 LEU QB 1.900 . 2.900 2.740 2.283 3.039 0.139 4 0 "[ . 1 . 2 ]" 2
458 1 53 LEU MD1 1 53 LEU HG 2.400 . 3.400 2.128 2.107 2.151 . 0 0 "[ . 1 . 2 ]" 2
459 1 53 LEU QB 1 54 VAL H 1.900 . 2.900 2.431 2.126 2.947 0.047 4 0 "[ . 1 . 2 ]" 2
460 1 53 LEU H 1 53 LEU HA 1.900 . 2.900 2.963 2.910 2.982 0.082 14 0 "[ . 1 . 2 ]" 2
461 1 53 LEU QB 1 131 PHE HB3 4.000 . 5.000 4.427 3.700 5.062 0.062 6 0 "[ . 1 . 2 ]" 2
462 1 53 LEU QB 1 131 PHE HB2 4.000 . 5.000 3.017 2.167 3.968 . 0 0 "[ . 1 . 2 ]" 2
463 1 53 LEU MD2 1 141 PHE QE 3.000 . 4.000 3.699 2.602 4.026 0.026 19 0 "[ . 1 . 2 ]" 2
464 1 53 LEU H 1 131 PHE HB2 4.000 . 5.000 2.313 1.972 2.643 . 0 0 "[ . 1 . 2 ]" 2
465 1 53 LEU H 1 131 PHE H 2.500 . 3.500 2.998 2.673 3.533 0.033 13 0 "[ . 1 . 2 ]" 2
466 1 53 LEU H 1 133 LEU MD1 4.500 . 5.500 3.382 2.769 4.062 . 0 0 "[ . 1 . 2 ]" 2
467 1 53 LEU QB 1 131 PHE H 4.000 . 5.000 3.577 2.707 4.831 . 0 0 "[ . 1 . 2 ]" 2
468 1 53 LEU QB 1 131 PHE QD 4.000 . 5.000 3.938 2.400 5.020 0.020 6 0 "[ . 1 . 2 ]" 2
469 1 53 LEU MD2 1 131 PHE QD 4.500 . 5.500 3.687 2.156 4.915 . 0 0 "[ . 1 . 2 ]" 2
470 1 53 LEU MD1 1 131 PHE QD 4.500 . 5.500 3.110 2.161 5.506 0.006 1 0 "[ . 1 . 2 ]" 2
471 1 54 VAL HA 1 55 TYR H 1.900 . 2.900 2.452 2.338 2.600 . 0 0 "[ . 1 . 2 ]" 2
472 1 54 VAL HA 1 54 VAL HB 2.500 . 3.500 2.824 2.264 3.035 . 0 0 "[ . 1 . 2 ]" 2
473 1 54 VAL HA 1 54 VAL QG 3.000 . 4.000 2.129 2.006 2.596 . 0 0 "[ . 1 . 2 ]" 2
474 1 54 VAL H 1 54 VAL HB 2.500 . 3.500 3.318 2.775 3.665 0.165 15 0 "[ . 1 . 2 ]" 2
475 1 54 VAL HB 1 55 TYR H 2.500 . 3.500 3.209 2.597 3.707 0.207 6 0 "[ . 1 . 2 ]" 2
476 1 54 VAL QG 1 55 TYR H 3.000 . 4.000 2.008 1.712 2.519 0.088 6 0 "[ . 1 . 2 ]" 2
477 1 54 VAL HA 1 130 ALA HA 2.500 . 3.500 2.194 2.145 2.448 . 0 0 "[ . 1 . 2 ]" 2
478 1 54 VAL QG 1 130 ALA HA 4.500 . 5.500 2.512 1.997 3.728 . 0 0 "[ . 1 . 2 ]" 2
479 1 54 VAL QG 1 130 ALA MB 2.900 . 3.900 2.356 1.785 3.591 0.015 20 0 "[ . 1 . 2 ]" 2
480 1 54 VAL HA 1 130 ALA MB 4.500 . 5.500 3.466 2.646 4.027 . 0 0 "[ . 1 . 2 ]" 2
481 1 54 VAL HA 1 131 PHE H 2.500 . 3.500 3.387 2.835 3.556 0.056 14 0 "[ . 1 . 2 ]" 2
482 1 54 VAL QG 1 56 ASN HD21 4.500 . 5.500 3.638 3.050 4.381 . 0 0 "[ . 1 . 2 ]" 2
483 1 54 VAL QG 1 56 ASN HD22 4.500 . 5.500 3.857 3.395 4.570 . 0 0 "[ . 1 . 2 ]" 2
484 1 54 VAL HA 1 131 PHE QD 4.000 . 5.000 4.930 4.590 5.093 0.093 20 0 "[ . 1 . 2 ]" 2
485 1 55 TYR HA 1 56 ASN H 1.900 . 2.900 2.277 2.194 2.536 . 0 0 "[ . 1 . 2 ]" 2
486 1 55 TYR HA 1 55 TYR QD 4.000 . 5.000 2.315 2.101 2.630 . 0 0 "[ . 1 . 2 ]" 2
487 1 55 TYR H 1 55 TYR HB3 4.000 . 5.000 3.158 2.916 3.250 . 0 0 "[ . 1 . 2 ]" 2
488 1 55 TYR QD 1 56 ASN H 4.000 . 5.000 2.585 2.190 3.039 . 0 0 "[ . 1 . 2 ]" 2
489 1 55 TYR H 1 55 TYR HB2 4.000 . 5.000 3.655 3.452 3.784 . 0 0 "[ . 1 . 2 ]" 2
490 1 55 TYR QE 1 58 VAL QG 5.000 . 6.000 3.738 2.816 5.027 . 0 0 "[ . 1 . 2 ]" 2
491 1 55 TYR QD 1 58 VAL QG 3.500 . 4.500 3.682 2.992 4.518 0.018 3 0 "[ . 1 . 2 ]" 2
492 1 55 TYR H 1 129 VAL H 2.500 . 3.500 2.909 2.487 3.431 . 0 0 "[ . 1 . 2 ]" 2
493 1 55 TYR H 1 130 ALA HA 4.000 . 5.000 4.026 3.604 4.295 . 0 0 "[ . 1 . 2 ]" 2
494 1 55 TYR QE 1 148 LEU MD2 4.500 . 5.500 3.890 2.988 5.502 0.002 5 0 "[ . 1 . 2 ]" 2
495 1 55 TYR QD 1 148 LEU MD2 4.500 . 5.500 4.319 3.183 5.520 0.020 7 0 "[ . 1 . 2 ]" 2
496 1 56 ASN HB2 1 56 ASN HD21 2.500 . 3.500 3.047 2.814 3.457 . 0 0 "[ . 1 . 2 ]" 2
497 1 56 ASN HA 1 56 ASN HB2 2.500 . 3.500 2.988 2.982 3.034 . 0 0 "[ . 1 . 2 ]" 2
498 1 56 ASN HA 1 56 ASN HB3 2.500 . 3.500 2.662 2.484 2.673 . 0 0 "[ . 1 . 2 ]" 2
499 1 56 ASN H 1 56 ASN HB2 1.900 . 2.900 2.324 2.254 2.425 . 0 0 "[ . 1 . 2 ]" 2
500 1 56 ASN HA 1 56 ASN HD22 2.500 . 3.500 3.325 3.209 3.491 . 0 0 "[ . 1 . 2 ]" 2
501 1 56 ASN HB2 1 56 ASN HD22 4.000 . 5.000 3.848 3.741 4.042 . 0 0 "[ . 1 . 2 ]" 2
502 1 56 ASN HB3 1 56 ASN HD22 4.000 . 5.000 4.068 3.903 4.116 . 0 0 "[ . 1 . 2 ]" 2
503 1 56 ASN HB3 1 57 GLY H 4.000 . 5.000 2.290 1.778 4.125 0.022 11 0 "[ . 1 . 2 ]" 2
504 1 56 ASN H 1 56 ASN HA 1.900 . 2.900 2.974 2.942 2.982 0.082 2 0 "[ . 1 . 2 ]" 2
505 1 56 ASN H 1 56 ASN HB3 2.500 . 3.500 3.552 3.528 3.618 0.118 11 0 "[ . 1 . 2 ]" 2
506 1 56 ASN HA 1 57 GLY H 1.900 . 2.900 2.619 2.196 2.934 0.034 11 0 "[ . 1 . 2 ]" 2
507 1 56 ASN HA 1 56 ASN HD21 4.000 . 5.000 2.094 1.800 2.547 0.000 19 0 "[ . 1 . 2 ]" 2
508 1 56 ASN HA 1 127 GLY QA 2.500 . 3.500 3.517 3.503 3.544 0.044 18 0 "[ . 1 . 2 ]" 2
509 1 56 ASN HB3 1 126 PRO QG 4.000 . 5.000 3.617 2.499 5.012 0.012 12 0 "[ . 1 . 2 ]" 2
510 1 57 GLY QA 1 58 VAL H 2.500 . 3.500 2.490 2.327 2.876 . 0 0 "[ . 1 . 2 ]" 2
511 1 57 GLY H 1 58 VAL QG 5.000 . 6.000 3.285 2.153 4.068 . 0 0 "[ . 1 . 2 ]" 2
512 1 57 GLY H 1 58 VAL H 1.900 . 2.900 2.743 2.164 2.913 0.013 19 0 "[ . 1 . 2 ]" 2
513 1 58 VAL HA 1 59 PRO QD 1.900 . 2.900 2.133 2.007 2.315 . 0 0 "[ . 1 . 2 ]" 2
514 1 58 VAL H 1 58 VAL HB 4.000 . 5.000 3.332 2.755 3.991 . 0 0 "[ . 1 . 2 ]" 2
515 1 58 VAL H 1 58 VAL HA 2.500 . 3.500 2.938 2.890 2.993 . 0 0 "[ . 1 . 2 ]" 2
516 1 59 PRO HA 1 60 VAL H 4.000 . 5.000 2.301 2.209 2.531 . 0 0 "[ . 1 . 2 ]" 2
517 1 60 VAL QG 1 61 GLY H 3.500 . 4.500 2.726 1.867 3.601 . 0 0 "[ . 1 . 2 ]" 2
518 1 60 VAL HA 1 60 VAL QG 2.900 . 3.900 2.059 2.014 2.116 . 0 0 "[ . 1 . 2 ]" 2
519 1 60 VAL H 1 60 VAL HA 2.500 . 3.500 2.977 2.950 2.993 . 0 0 "[ . 1 . 2 ]" 2
520 1 60 VAL HA 1 61 GLY H 1.900 . 2.900 2.245 2.186 2.449 . 0 0 "[ . 1 . 2 ]" 2
521 1 60 VAL H 1 60 VAL HB 2.500 . 3.500 2.864 2.467 3.292 . 0 0 "[ . 1 . 2 ]" 2
522 1 60 VAL QG 1 119 PHE QD 3.500 . 4.500 2.693 1.920 3.666 . 0 0 "[ . 1 . 2 ]" 2
523 1 60 VAL HB 1 119 PHE QD 4.000 . 5.000 2.583 2.195 3.958 . 0 0 "[ . 1 . 2 ]" 2
524 1 60 VAL HB 1 119 PHE H 2.500 . 3.500 3.118 1.797 3.508 0.008 14 0 "[ . 1 . 2 ]" 2
525 1 60 VAL HB 1 119 PHE HB2 4.000 . 5.000 2.309 2.196 2.686 . 0 0 "[ . 1 . 2 ]" 2
526 1 60 VAL QG 1 66 TYR QE 5.000 . 6.000 2.697 2.102 3.721 . 0 0 "[ . 1 . 2 ]" 2
527 1 60 VAL QG 1 94 ALA MB 3.400 . 4.400 3.487 2.322 4.401 0.001 11 0 "[ . 1 . 2 ]" 2
528 1 60 VAL QG 1 115 SER QB 3.500 . 4.500 2.381 1.879 3.717 . 0 0 "[ . 1 . 2 ]" 2
529 1 60 VAL H 1 119 PHE H 4.000 . 5.000 3.295 2.806 4.442 . 0 0 "[ . 1 . 2 ]" 2
530 1 60 VAL QG 1 119 PHE H 5.000 . 6.000 3.653 2.803 4.075 . 0 0 "[ . 1 . 2 ]" 2
531 1 60 VAL QG 1 119 PHE QE 5.000 . 6.000 3.943 2.734 5.134 . 0 0 "[ . 1 . 2 ]" 2
532 1 60 VAL QG 1 66 TYR QD 5.000 . 6.000 2.987 2.176 3.818 . 0 0 "[ . 1 . 2 ]" 2
533 1 61 GLY H 1 61 GLY QA 2.500 . 3.500 2.372 2.260 2.521 . 0 0 "[ . 1 . 2 ]" 2
534 1 61 GLY QA 1 62 GLU H 1.900 . 2.900 2.205 2.161 2.355 . 0 0 "[ . 1 . 2 ]" 2
535 1 61 GLY QA 1 118 THR HA 1.900 . 2.900 2.872 2.534 2.918 0.018 6 0 "[ . 1 . 2 ]" 2
536 1 61 GLY QA 1 118 THR MG 2.400 . 3.400 2.713 2.088 3.405 0.005 7 0 "[ . 1 . 2 ]" 2
537 1 62 GLU QB 1 62 GLU QG 1.900 . 2.900 2.060 2.004 2.105 . 0 0 "[ . 1 . 2 ]" 2
538 1 62 GLU HA 1 63 GLY H 1.900 . 2.900 2.288 2.194 2.837 . 0 0 "[ . 1 . 2 ]" 2
539 1 62 GLU HA 1 62 GLU QG 2.500 . 3.500 2.690 2.152 3.496 . 0 0 "[ . 1 . 2 ]" 2
540 1 62 GLU H 1 62 GLU HA 2.500 . 3.500 2.758 2.688 2.897 . 0 0 "[ . 1 . 2 ]" 2
541 1 62 GLU QG 1 63 GLY H 4.000 . 5.000 2.889 2.001 4.449 . 0 0 "[ . 1 . 2 ]" 2
542 1 62 GLU H 1 62 GLU QG 4.000 . 5.000 3.544 1.797 4.119 0.003 6 0 "[ . 1 . 2 ]" 2
543 1 62 GLU QB 1 63 GLY H 4.000 . 5.000 3.418 1.857 3.870 . 0 0 "[ . 1 . 2 ]" 2
544 1 62 GLU H 1 118 THR MG 4.500 . 5.500 2.409 1.796 3.992 0.004 5 0 "[ . 1 . 2 ]" 2
545 1 62 GLU H 1 118 THR HA 4.000 . 5.000 2.624 1.886 3.646 . 0 0 "[ . 1 . 2 ]" 2
546 1 62 GLU QG 1 116 ASN HA 2.500 . 3.500 2.771 1.963 3.587 0.087 13 0 "[ . 1 . 2 ]" 2
547 1 62 GLU HA 1 117 LEU H 4.000 . 5.000 3.642 2.495 4.727 . 0 0 "[ . 1 . 2 ]" 2
548 1 62 GLU HA 1 115 SER HA 2.500 . 3.500 3.563 3.511 3.709 0.209 2 0 "[ . 1 . 2 ]" 2
549 1 62 GLU HA 1 116 ASN HA 4.000 . 5.000 3.560 3.129 3.962 . 0 0 "[ . 1 . 2 ]" 2
550 1 62 GLU HA 1 64 GLU H 4.000 . 5.000 3.728 3.279 4.272 . 0 0 "[ . 1 . 2 ]" 2
551 1 63 GLY QA 1 64 GLU H 4.000 . 5.000 2.749 2.479 2.913 . 0 0 "[ . 1 . 2 ]" 2
552 1 63 GLY H 1 64 GLU H 2.500 . 3.500 2.854 2.566 3.505 0.005 4 0 "[ . 1 . 2 ]" 2
553 1 63 GLY QA 1 114 THR MG 4.500 . 5.500 4.947 3.702 5.518 0.018 13 0 "[ . 1 . 2 ]" 2
554 1 63 GLY H 1 114 THR MG 4.500 . 5.500 5.058 3.158 5.520 0.020 3 0 "[ . 1 . 2 ]" 2
555 1 63 GLY H 1 116 ASN HA 4.000 . 5.000 3.843 3.142 4.907 . 0 0 "[ . 1 . 2 ]" 2
556 1 64 GLU HA 1 64 GLU QG 2.500 . 3.500 2.217 2.133 2.578 . 0 0 "[ . 1 . 2 ]" 2
557 1 64 GLU HB2 1 64 GLU QG 2.500 . 3.500 2.372 2.172 2.523 . 0 0 "[ . 1 . 2 ]" 2
558 1 64 GLU HB3 1 64 GLU QG 2.500 . 3.500 2.327 2.196 2.520 . 0 0 "[ . 1 . 2 ]" 2
559 1 64 GLU HA 1 64 GLU HB2 2.800 . 3.800 2.987 2.985 2.989 . 0 0 "[ . 1 . 2 ]" 2
560 1 64 GLU H 1 64 GLU HB2 2.500 . 3.500 2.274 2.266 2.349 . 0 0 "[ . 1 . 2 ]" 2
561 1 64 GLU H 1 64 GLU QG 4.000 . 5.000 3.284 3.160 3.786 . 0 0 "[ . 1 . 2 ]" 2
562 1 64 GLU H 1 64 GLU HB3 2.500 . 3.500 3.535 3.530 3.561 0.061 9 0 "[ . 1 . 2 ]" 2
563 1 64 GLU HA 1 65 SER H 1.800 . 2.800 2.462 2.232 2.608 . 0 0 "[ . 1 . 2 ]" 2
564 1 64 GLU HB2 1 65 SER H 4.000 . 5.000 3.880 3.625 4.344 . 0 0 "[ . 1 . 2 ]" 2
565 1 64 GLU HB3 1 65 SER H 2.500 . 3.500 2.511 2.151 3.260 . 0 0 "[ . 1 . 2 ]" 2
566 1 64 GLU H 1 65 SER H 4.000 . 5.000 4.561 4.518 4.595 . 0 0 "[ . 1 . 2 ]" 2
567 1 64 GLU HA 1 64 GLU HB3 2.800 . 3.800 2.672 2.670 2.673 . 0 0 "[ . 1 . 2 ]" 2
568 1 64 GLU HB2 1 66 TYR QE 4.000 . 5.000 3.755 2.771 4.522 . 0 0 "[ . 1 . 2 ]" 2
569 1 64 GLU HB3 1 66 TYR QE 4.000 . 5.000 4.017 2.506 4.961 . 0 0 "[ . 1 . 2 ]" 2
570 1 65 SER H 1 65 SER HB2 2.500 . 3.500 2.569 2.307 2.884 . 0 0 "[ . 1 . 2 ]" 2
571 1 65 SER HB3 1 66 TYR H 2.500 . 3.500 3.155 2.908 3.517 0.017 7 0 "[ . 1 . 2 ]" 2
572 1 65 SER H 1 65 SER HB3 4.000 . 5.000 3.734 3.576 3.849 . 0 0 "[ . 1 . 2 ]" 2
573 1 65 SER HB2 1 66 TYR H 4.000 . 5.000 4.137 3.845 4.334 . 0 0 "[ . 1 . 2 ]" 2
574 1 65 SER HA 1 66 TYR QD 4.000 . 5.000 3.466 3.026 4.048 . 0 0 "[ . 1 . 2 ]" 2
575 1 65 SER HA 1 66 TYR H 1.900 . 2.900 2.248 2.190 2.300 . 0 0 "[ . 1 . 2 ]" 2
576 1 65 SER H 1 65 SER HA 2.500 . 3.500 2.988 2.973 2.995 . 0 0 "[ . 1 . 2 ]" 2
577 1 65 SER HA 1 114 THR MG 4.500 . 5.500 3.735 2.877 4.000 . 0 0 "[ . 1 . 2 ]" 2
578 1 66 TYR HA 1 67 VAL H 1.900 . 2.900 2.582 2.412 2.634 . 0 0 "[ . 1 . 2 ]" 2
579 1 66 TYR HB2 1 66 TYR QD 2.500 . 3.500 2.461 2.329 2.590 . 0 0 "[ . 1 . 2 ]" 2
580 1 66 TYR HA 1 66 TYR QD 4.000 . 5.000 2.929 2.521 3.049 . 0 0 "[ . 1 . 2 ]" 2
581 1 66 TYR HB3 1 67 VAL H 4.000 . 5.000 2.162 2.083 2.572 . 0 0 "[ . 1 . 2 ]" 2
582 1 66 TYR H 1 66 TYR HB2 4.000 . 5.000 2.362 2.300 2.561 . 0 0 "[ . 1 . 2 ]" 2
583 1 66 TYR H 1 66 TYR QD 4.000 . 5.000 2.659 2.256 3.083 . 0 0 "[ . 1 . 2 ]" 2
584 1 66 TYR H 1 66 TYR HA 2.500 . 3.500 2.976 2.938 2.987 . 0 0 "[ . 1 . 2 ]" 2
585 1 66 TYR HB2 1 67 VAL H 2.500 . 3.500 3.530 3.508 3.551 0.051 7 0 "[ . 1 . 2 ]" 2
586 1 66 TYR H 1 66 TYR HB3 2.500 . 3.500 3.610 3.575 3.659 0.159 7 0 "[ . 1 . 2 ]" 2
587 1 66 TYR HA 1 66 TYR QE 4.000 . 5.000 4.483 4.334 4.649 . 0 0 "[ . 1 . 2 ]" 2
588 1 66 TYR QD 1 150 THR HB 4.000 . 5.000 3.182 2.199 4.356 . 0 0 "[ . 1 . 2 ]" 2
589 1 66 TYR QE 1 150 THR MG 4.500 . 5.500 3.906 2.338 5.433 . 0 0 "[ . 1 . 2 ]" 2
590 1 66 TYR QE 1 115 SER HA 4.000 . 5.000 4.936 4.402 5.013 0.013 14 0 "[ . 1 . 2 ]" 2
591 1 66 TYR HB3 1 148 LEU MD1 3.000 . 4.000 3.305 2.542 4.017 0.017 15 0 "[ . 1 . 2 ]" 2
592 1 66 TYR QE 1 115 SER QB 4.000 . 5.000 3.136 2.266 3.714 . 0 0 "[ . 1 . 2 ]" 2
593 1 66 TYR QE 1 150 THR HB 4.000 . 5.000 3.661 2.502 5.027 0.027 13 0 "[ . 1 . 2 ]" 2
594 1 66 TYR QD 1 150 THR MG 4.500 . 5.500 4.229 2.657 5.501 0.001 1 0 "[ . 1 . 2 ]" 2
595 1 66 TYR QD 1 148 LEU MD1 4.500 . 5.500 2.780 2.203 3.623 . 0 0 "[ . 1 . 2 ]" 2
596 1 66 TYR HA 1 150 THR HA 4.000 . 5.000 2.834 2.192 4.494 . 0 0 "[ . 1 . 2 ]" 2
597 1 66 TYR QE 1 115 SER H 4.000 . 5.000 4.839 3.506 5.029 0.029 22 0 "[ . 1 . 2 ]" 2
598 1 66 TYR QD 1 115 SER H 4.000 . 5.000 3.992 3.660 4.641 . 0 0 "[ . 1 . 2 ]" 2
599 1 66 TYR H 1 113 PHE H 4.000 . 5.000 2.851 2.581 3.390 . 0 0 "[ . 1 . 2 ]" 2
600 1 66 TYR QD 1 148 LEU MD2 4.500 . 5.500 4.469 2.662 5.508 0.008 19 0 "[ . 1 . 2 ]" 2
601 1 67 VAL H 1 67 VAL MG2 3.000 . 4.000 2.780 2.397 4.056 0.056 21 0 "[ . 1 . 2 ]" 2
602 1 67 VAL MG2 1 68 LEU H 4.500 . 5.500 4.037 2.170 4.405 . 0 0 "[ . 1 . 2 ]" 2
603 1 67 VAL MG1 1 68 LEU H 4.500 . 5.500 2.417 1.794 3.440 0.006 6 0 "[ . 1 . 2 ]" 2
604 1 67 VAL HB 1 67 VAL MG2 2.400 . 3.400 2.149 2.116 2.153 . 0 0 "[ . 1 . 2 ]" 2
605 1 67 VAL HB 1 67 VAL MG1 2.400 . 3.400 2.122 2.106 2.150 . 0 0 "[ . 1 . 2 ]" 2
606 1 67 VAL HA 1 68 LEU H 2.500 . 3.500 2.283 2.187 2.453 . 0 0 "[ . 1 . 2 ]" 2
607 1 67 VAL H 1 67 VAL HB 4.000 . 5.000 3.126 2.953 3.325 . 0 0 "[ . 1 . 2 ]" 2
608 1 67 VAL MG1 1 111 TYR H 4.500 . 5.500 3.466 2.764 4.888 . 0 0 "[ . 1 . 2 ]" 2
609 1 67 VAL MG2 1 112 ALA HA 4.500 . 5.500 3.242 2.167 3.819 . 0 0 "[ . 1 . 2 ]" 2
610 1 67 VAL MG1 1 112 ALA HA 4.500 . 5.500 3.416 2.336 4.677 . 0 0 "[ . 1 . 2 ]" 2
611 1 67 VAL MG2 1 112 ALA MB 2.900 . 3.900 2.119 1.886 3.003 . 0 0 "[ . 1 . 2 ]" 2
612 1 67 VAL MG1 1 112 ALA MB 3.500 . 4.500 2.349 1.933 3.922 . 0 0 "[ . 1 . 2 ]" 2
613 1 67 VAL HA 1 112 ALA HA 4.000 . 5.000 2.320 2.194 2.886 . 0 0 "[ . 1 . 2 ]" 2
614 1 67 VAL QG 1 112 ALA HA 2.900 . 3.900 2.859 2.155 3.253 . 0 0 "[ . 1 . 2 ]" 2
615 1 67 VAL MG1 1 69 SER QB 4.500 . 5.500 4.025 3.683 4.547 . 0 0 "[ . 1 . 2 ]" 2
616 1 67 VAL MG1 1 110 GLU QB 2.400 . 3.400 2.689 2.130 3.455 0.055 11 0 "[ . 1 . 2 ]" 2
617 1 67 VAL H 1 149 THR H 2.500 . 3.500 3.304 2.803 3.517 0.017 17 0 "[ . 1 . 2 ]" 2
618 1 67 VAL HB 1 149 THR H 4.000 . 5.000 3.819 2.700 5.018 0.018 21 0 "[ . 1 . 2 ]" 2
619 1 67 VAL HA 1 113 PHE H 4.000 . 5.000 4.100 3.761 4.423 . 0 0 "[ . 1 . 2 ]" 2
620 1 67 VAL MG2 1 113 PHE H 4.500 . 5.500 4.085 3.416 4.744 . 0 0 "[ . 1 . 2 ]" 2
621 1 67 VAL QG 1 69 SER H 5.000 . 6.000 4.459 3.635 5.145 . 0 0 "[ . 1 . 2 ]" 2
622 1 68 LEU HA 1 68 LEU MD1 3.000 . 4.000 2.480 1.998 3.620 . 0 0 "[ . 1 . 2 ]" 2
623 1 68 LEU HB3 1 68 LEU MD2 2.400 . 3.400 2.167 2.084 2.330 . 0 0 "[ . 1 . 2 ]" 2
624 1 68 LEU HA 1 69 SER H 1.900 . 2.900 2.217 2.182 2.401 . 0 0 "[ . 1 . 2 ]" 2
625 1 68 LEU HA 1 68 LEU HB3 2.500 . 3.500 3.004 2.987 3.033 . 0 0 "[ . 1 . 2 ]" 2
626 1 68 LEU HB3 1 68 LEU HG 1.900 . 2.900 2.687 2.471 3.011 0.111 7 0 "[ . 1 . 2 ]" 2
627 1 68 LEU HA 1 68 LEU HB2 2.500 . 3.500 2.621 2.495 2.678 . 0 0 "[ . 1 . 2 ]" 2
628 1 68 LEU H 1 68 LEU HB3 2.500 . 3.500 2.911 2.554 3.115 . 0 0 "[ . 1 . 2 ]" 2
629 1 68 LEU MD1 1 69 SER H 3.000 . 4.000 3.734 3.105 4.042 0.042 7 0 "[ . 1 . 2 ]" 2
630 1 68 LEU H 1 68 LEU HB2 2.500 . 3.500 2.871 2.652 3.165 . 0 0 "[ . 1 . 2 ]" 2
631 1 68 LEU HG 1 69 SER H 4.000 . 5.000 2.921 1.984 3.367 . 0 0 "[ . 1 . 2 ]" 2
632 1 68 LEU HB2 1 69 SER H 4.000 . 5.000 4.469 3.987 4.587 . 0 0 "[ . 1 . 2 ]" 2
633 1 68 LEU H 1 112 ALA HA 4.000 . 5.000 3.874 3.121 4.375 . 0 0 "[ . 1 . 2 ]" 2
634 1 68 LEU HB2 1 95 PHE QE 2.500 . 3.500 2.796 2.188 3.519 0.019 20 0 "[ . 1 . 2 ]" 2
635 1 68 LEU MD1 1 70 PHE QD 4.500 . 5.500 4.436 3.439 5.115 . 0 0 "[ . 1 . 2 ]" 2
636 1 68 LEU MD2 1 111 TYR QD 4.500 . 5.500 4.187 3.505 4.662 . 0 0 "[ . 1 . 2 ]" 2
637 1 68 LEU MD2 1 111 TYR QE 4.500 . 5.500 5.217 3.396 5.529 0.029 17 0 "[ . 1 . 2 ]" 2
638 1 68 LEU MD2 1 70 PHE QE 4.500 . 5.500 3.530 2.237 4.661 . 0 0 "[ . 1 . 2 ]" 2
639 1 68 LEU H 1 111 TYR H 4.000 . 5.000 2.670 2.144 2.987 . 0 0 "[ . 1 . 2 ]" 2
640 1 68 LEU MD2 1 70 PHE QD 4.500 . 5.500 2.405 1.909 3.333 . 0 0 "[ . 1 . 2 ]" 2
641 1 69 SER H 1 69 SER QB 2.500 . 3.500 2.805 2.295 3.345 . 0 0 "[ . 1 . 2 ]" 2
642 1 69 SER QB 1 70 PHE H 3.000 . 4.000 3.855 3.578 4.054 0.054 10 0 "[ . 1 . 2 ]" 2
643 1 69 SER HA 1 70 PHE H 1.900 . 2.900 2.313 2.226 2.409 . 0 0 "[ . 1 . 2 ]" 2
644 1 69 SER H 1 69 SER HA 2.500 . 3.500 2.984 2.936 2.992 . 0 0 "[ . 1 . 2 ]" 2
645 1 69 SER HA 1 69 SER QB 2.500 . 3.500 2.183 2.163 2.207 . 0 0 "[ . 1 . 2 ]" 2
646 1 69 SER HA 1 70 PHE QD 4.000 . 5.000 3.737 3.187 4.564 . 0 0 "[ . 1 . 2 ]" 2
647 1 69 SER QB 1 110 GLU HA 2.500 . 3.500 3.562 3.499 3.626 0.126 20 0 "[ . 1 . 2 ]" 2
648 1 69 SER HA 1 110 GLU HA 2.500 . 3.500 2.713 2.532 2.861 . 0 0 "[ . 1 . 2 ]" 2
649 1 69 SER QB 1 110 GLU QG 2.500 . 3.500 2.611 1.988 3.501 0.001 15 0 "[ . 1 . 2 ]" 2
650 1 69 SER QB 1 110 GLU QB 4.000 . 5.000 3.700 2.168 4.686 . 0 0 "[ . 1 . 2 ]" 2
651 1 69 SER HA 1 111 TYR H 4.000 . 5.000 4.246 3.705 4.391 . 0 0 "[ . 1 . 2 ]" 2
652 1 69 SER QB 1 108 THR MG 3.000 . 4.000 3.181 2.143 4.019 0.019 5 0 "[ . 1 . 2 ]" 2
653 1 69 SER H 1 147 SER H 2.500 . 3.500 3.487 3.135 3.547 0.047 18 0 "[ . 1 . 2 ]" 2
654 1 70 PHE HA 1 71 THR H 1.900 . 2.900 2.235 2.187 2.290 . 0 0 "[ . 1 . 2 ]" 2
655 1 70 PHE HA 1 70 PHE HB2 2.500 . 3.500 2.526 2.415 2.682 . 0 0 "[ . 1 . 2 ]" 2
656 1 70 PHE HB3 1 70 PHE QD 2.500 . 3.500 2.483 2.309 2.635 . 0 0 "[ . 1 . 2 ]" 2
657 1 70 PHE HB2 1 70 PHE QD 2.500 . 3.500 2.380 2.294 2.556 . 0 0 "[ . 1 . 2 ]" 2
658 1 70 PHE HB2 1 71 THR H 4.000 . 5.000 2.996 2.817 3.195 . 0 0 "[ . 1 . 2 ]" 2
659 1 70 PHE H 1 70 PHE HA 1.900 . 2.900 2.954 2.952 2.958 0.058 17 0 "[ . 1 . 2 ]" 2
660 1 70 PHE H 1 70 PHE QD 4.000 . 5.000 2.076 1.785 2.778 0.015 12 0 "[ . 1 . 2 ]" 2
661 1 70 PHE HB3 1 71 THR H 4.000 . 5.000 3.967 3.626 4.176 . 0 0 "[ . 1 . 2 ]" 2
662 1 70 PHE HA 1 70 PHE QD 4.000 . 5.000 3.606 3.349 3.706 . 0 0 "[ . 1 . 2 ]" 2
663 1 70 PHE HB3 1 146 VAL QG 4.500 . 5.500 2.531 2.110 3.192 . 0 0 "[ . 1 . 2 ]" 2
664 1 70 PHE HA 1 146 VAL HA 2.500 . 3.500 2.171 2.100 2.199 . 0 0 "[ . 1 . 2 ]" 2
665 1 70 PHE HB3 1 146 VAL HA 4.000 . 5.000 3.590 2.533 4.129 . 0 0 "[ . 1 . 2 ]" 2
666 1 70 PHE HB2 1 146 VAL QG 4.500 . 5.500 3.152 2.361 3.987 . 0 0 "[ . 1 . 2 ]" 2
667 1 70 PHE QE 1 72 ALA MB 4.500 . 5.500 3.184 2.108 4.946 . 0 0 "[ . 1 . 2 ]" 2
668 1 70 PHE QD 1 72 ALA MB 3.000 . 4.000 2.431 1.950 3.285 . 0 0 "[ . 1 . 2 ]" 2
669 1 70 PHE QE 1 102 LEU MD2 4.500 . 5.500 2.875 1.989 4.366 . 0 0 "[ . 1 . 2 ]" 2
670 1 70 PHE HB2 1 143 ILE MD 4.500 . 5.500 3.870 3.129 4.693 . 0 0 "[ . 1 . 2 ]" 2
671 1 70 PHE HB3 1 143 ILE MD 4.500 . 5.500 4.719 3.891 5.553 0.053 2 0 "[ . 1 . 2 ]" 2
672 1 70 PHE QE 1 100 ALA MB 4.500 . 5.500 3.772 2.798 4.267 . 0 0 "[ . 1 . 2 ]" 2
673 1 70 PHE QE 1 82 VAL MG1 4.500 . 5.500 4.106 3.098 4.685 . 0 0 "[ . 1 . 2 ]" 2
674 1 70 PHE HA 1 147 SER H 4.000 . 5.000 3.098 2.467 3.711 . 0 0 "[ . 1 . 2 ]" 2
675 1 70 PHE H 1 109 ARG H 1.900 . 2.900 2.983 2.956 3.030 0.130 12 0 "[ . 1 . 2 ]" 2
676 1 70 PHE H 1 108 THR MG 3.000 . 4.000 4.051 4.005 4.090 0.090 12 0 "[ . 1 . 2 ]" 2
677 1 70 PHE QE 1 111 TYR QE 4.000 . 5.000 2.754 2.185 3.788 . 0 0 "[ . 1 . 2 ]" 2
678 1 70 PHE QD 1 131 PHE QE 4.000 . 5.000 3.633 2.830 5.002 0.002 16 0 "[ . 1 . 2 ]" 2
679 1 70 PHE HB2 1 146 VAL HA 4.000 . 5.000 3.868 2.777 4.516 . 0 0 "[ . 1 . 2 ]" 2
680 1 70 PHE HZ 1 100 ALA MB 3.000 . 4.000 3.243 2.461 4.022 0.022 1 0 "[ . 1 . 2 ]" 2
681 1 70 PHE QD 1 102 LEU MD1 3.000 . 4.000 3.868 3.264 4.067 0.067 11 0 "[ . 1 . 2 ]" 2
682 1 70 PHE HZ 1 82 VAL MG1 4.500 . 5.500 4.421 3.460 5.512 0.012 15 0 "[ . 1 . 2 ]" 2
683 1 70 PHE QE 1 82 VAL MG2 4.500 . 5.500 4.123 2.838 4.870 . 0 0 "[ . 1 . 2 ]" 2
684 1 70 PHE QE 1 102 LEU MD1 4.500 . 5.500 2.472 2.063 3.606 . 0 0 "[ . 1 . 2 ]" 2
685 1 70 PHE HZ 1 111 TYR QE 2.500 . 3.500 2.439 2.173 3.514 0.014 12 0 "[ . 1 . 2 ]" 2
686 1 70 PHE HZ 1 82 VAL MG2 4.500 . 5.500 4.735 3.219 5.547 0.047 17 0 "[ . 1 . 2 ]" 2
687 1 70 PHE QD 1 82 VAL MG1 4.500 . 5.500 5.056 3.894 5.516 0.016 1 0 "[ . 1 . 2 ]" 2
688 1 70 PHE QD 1 82 VAL MG2 4.500 . 5.500 4.842 3.873 5.403 . 0 0 "[ . 1 . 2 ]" 2
689 1 70 PHE QD 1 143 ILE MD 4.500 . 5.500 4.844 3.591 5.527 0.027 14 0 "[ . 1 . 2 ]" 2
690 1 71 THR H 1 71 THR HB 2.500 . 3.500 3.542 3.515 3.595 0.095 18 0 "[ . 1 . 2 ]" 2
691 1 71 THR MG 1 72 ALA H 3.500 . 4.500 3.915 3.597 4.242 . 0 0 "[ . 1 . 2 ]" 2
692 1 71 THR HA 1 71 THR MG 3.000 . 4.000 2.199 2.065 2.360 . 0 0 "[ . 1 . 2 ]" 2
693 1 71 THR HA 1 72 ALA H 1.900 . 2.900 2.265 2.197 2.363 . 0 0 "[ . 1 . 2 ]" 2
694 1 71 THR H 1 71 THR HA 2.500 . 3.500 2.966 2.945 2.980 . 0 0 "[ . 1 . 2 ]" 2
695 1 71 THR HB 1 145 GLN H 2.500 . 3.500 3.301 3.014 3.539 0.039 5 0 "[ . 1 . 2 ]" 2
696 1 71 THR HB 1 145 GLN QG 4.000 . 5.000 2.813 2.234 3.868 . 0 0 "[ . 1 . 2 ]" 2
697 1 71 THR HA 1 108 THR HA 2.500 . 3.500 2.475 2.171 2.735 . 0 0 "[ . 1 . 2 ]" 2
698 1 71 THR MG 1 107 ALA H 4.500 . 5.500 4.734 3.411 5.515 0.015 13 0 "[ . 1 . 2 ]" 2
699 1 71 THR HA 1 109 ARG H 4.000 . 5.000 4.141 3.484 4.477 . 0 0 "[ . 1 . 2 ]" 2
700 1 71 THR HB 1 145 GLN QB 4.000 . 5.000 3.851 3.562 4.961 . 0 0 "[ . 1 . 2 ]" 2
701 1 71 THR H 1 108 THR MG 4.500 . 5.500 3.327 2.975 3.588 . 0 0 "[ . 1 . 2 ]" 2
702 1 72 ALA MB 1 73 SER H 2.400 . 3.400 2.653 1.845 3.353 . 0 0 "[ . 1 . 2 ]" 2
703 1 72 ALA HA 1 73 SER H 1.900 . 2.900 2.351 2.179 2.701 . 0 0 "[ . 1 . 2 ]" 2
704 1 72 ALA MB 1 143 ILE MD 5.000 . 6.000 3.755 2.997 4.339 . 0 0 "[ . 1 . 2 ]" 2
705 1 72 ALA HA 1 143 ILE HA 2.500 . 3.500 2.472 2.200 2.818 . 0 0 "[ . 1 . 2 ]" 2
706 1 72 ALA H 1 108 THR HA 4.000 . 5.000 3.373 2.672 4.079 . 0 0 "[ . 1 . 2 ]" 2
707 1 72 ALA MB 1 141 PHE QE 3.000 . 4.000 2.391 2.020 2.989 . 0 0 "[ . 1 . 2 ]" 2
708 1 72 ALA MB 1 143 ILE QG 4.500 . 5.500 3.948 3.061 4.682 . 0 0 "[ . 1 . 2 ]" 2
709 1 72 ALA HA 1 144 SER H 4.000 . 5.000 4.060 3.548 4.486 . 0 0 "[ . 1 . 2 ]" 2
710 1 72 ALA MB 1 102 LEU MD1 2.900 . 3.900 2.766 1.835 3.896 . 0 0 "[ . 1 . 2 ]" 2
711 1 72 ALA MB 1 102 LEU MD2 2.900 . 3.900 3.455 2.431 3.937 0.037 5 0 "[ . 1 . 2 ]" 2
712 1 72 ALA MB 1 143 ILE HB 2.400 . 3.400 2.400 1.951 3.185 . 0 0 "[ . 1 . 2 ]" 2
713 1 72 ALA H 1 107 ALA H 4.000 . 5.000 3.214 2.590 3.917 . 0 0 "[ . 1 . 2 ]" 2
714 1 72 ALA MB 1 142 CYS H 3.000 . 4.000 3.731 3.109 4.013 0.013 8 0 "[ . 1 . 2 ]" 2
715 1 72 ALA MB 1 141 PHE HZ 4.500 . 5.500 2.328 2.057 2.833 . 0 0 "[ . 1 . 2 ]" 2
716 1 73 SER HB2 1 74 ALA H 2.500 . 3.500 3.216 2.362 3.526 0.026 5 0 "[ . 1 . 2 ]" 2
717 1 73 SER HA 1 73 SER HB2 1.900 . 2.900 2.521 2.316 2.675 . 0 0 "[ . 1 . 2 ]" 2
718 1 73 SER HA 1 73 SER HB3 2.500 . 3.500 2.447 2.309 2.674 . 0 0 "[ . 1 . 2 ]" 2
719 1 73 SER H 1 73 SER HA 2.500 . 3.500 2.972 2.889 2.993 . 0 0 "[ . 1 . 2 ]" 2
720 1 73 SER HA 1 74 ALA H 1.900 . 2.900 2.262 2.185 2.537 . 0 0 "[ . 1 . 2 ]" 2
721 1 73 SER HB3 1 74 ALA H 4.000 . 5.000 4.106 3.447 4.479 . 0 0 "[ . 1 . 2 ]" 2
722 1 73 SER HA 1 74 ALA MB 3.500 . 4.500 4.008 3.818 4.069 . 0 0 "[ . 1 . 2 ]" 2
723 1 73 SER HA 1 102 LEU HB3 2.500 . 3.500 3.438 3.138 3.533 0.033 19 0 "[ . 1 . 2 ]" 2
724 1 73 SER HA 1 102 LEU MD2 4.500 . 5.500 3.400 2.153 5.505 0.005 9 0 "[ . 1 . 2 ]" 2
725 1 73 SER HB2 1 104 GLY QA 4.000 . 5.000 3.075 2.189 3.972 . 0 0 "[ . 1 . 2 ]" 2
726 1 73 SER HB3 1 106 PRO HA 1.900 . 2.900 2.280 2.194 2.766 . 0 0 "[ . 1 . 2 ]" 2
727 1 73 SER HA 1 106 PRO HA 4.000 . 5.000 3.999 3.241 4.669 . 0 0 "[ . 1 . 2 ]" 2
728 1 73 SER HB3 1 106 PRO QG 4.000 . 5.000 4.052 2.580 5.001 0.001 2 0 "[ . 1 . 2 ]" 2
729 1 73 SER H 1 142 CYS H 2.500 . 3.500 2.750 2.336 3.057 . 0 0 "[ . 1 . 2 ]" 2
730 1 73 SER H 1 143 ILE HA 4.000 . 5.000 4.171 3.826 4.494 . 0 0 "[ . 1 . 2 ]" 2
731 1 73 SER HB3 1 107 ALA H 4.000 . 5.000 3.493 2.158 4.413 . 0 0 "[ . 1 . 2 ]" 2
732 1 74 ALA H 1 74 ALA MB 3.000 . 4.000 2.256 2.117 2.402 . 0 0 "[ . 1 . 2 ]" 2
733 1 74 ALA HA 1 75 THR H 1.900 . 2.900 2.215 2.186 2.283 . 0 0 "[ . 1 . 2 ]" 2
734 1 74 ALA MB 1 75 THR H 4.500 . 5.500 3.093 2.836 3.341 . 0 0 "[ . 1 . 2 ]" 2
735 1 74 ALA HA 1 141 PHE HA 2.500 . 3.500 3.236 2.585 3.519 0.019 18 0 "[ . 1 . 2 ]" 2
736 1 74 ALA MB 1 141 PHE HA 4.500 . 5.500 4.367 3.791 4.725 . 0 0 "[ . 1 . 2 ]" 2
737 1 74 ALA MB 1 77 ASP HA 3.000 . 4.000 2.696 1.966 3.012 . 0 0 "[ . 1 . 2 ]" 2
738 1 74 ALA MB 1 141 PHE QD 4.500 . 5.500 3.570 2.748 4.130 . 0 0 "[ . 1 . 2 ]" 2
739 1 74 ALA MB 1 78 MET H 3.000 . 4.000 2.978 2.455 3.455 . 0 0 "[ . 1 . 2 ]" 2
740 1 74 ALA MB 1 102 LEU HB2 3.000 . 4.000 2.291 1.963 2.947 . 0 0 "[ . 1 . 2 ]" 2
741 1 74 ALA HA 1 142 CYS H 4.000 . 5.000 4.081 3.821 4.458 . 0 0 "[ . 1 . 2 ]" 2
742 1 74 ALA HA 1 140 GLU H 4.000 . 5.000 4.352 3.774 5.026 0.026 11 0 "[ . 1 . 2 ]" 2
743 1 74 ALA MB 1 102 LEU MD1 2.900 . 3.900 3.029 2.103 3.637 . 0 0 "[ . 1 . 2 ]" 2
744 1 74 ALA MB 1 102 LEU HB3 2.400 . 3.400 2.181 1.978 2.572 . 0 0 "[ . 1 . 2 ]" 2
745 1 74 ALA MB 1 102 LEU MD2 2.900 . 3.900 3.756 3.525 3.912 0.012 8 0 "[ . 1 . 2 ]" 2
746 1 74 ALA H 1 102 LEU HB3 2.500 . 3.500 2.382 1.784 3.184 0.016 15 0 "[ . 1 . 2 ]" 2
747 1 74 ALA H 1 104 GLY QA 4.000 . 5.000 3.667 2.731 4.503 . 0 0 "[ . 1 . 2 ]" 2
748 1 74 ALA H 1 102 LEU HB2 4.000 . 5.000 3.827 3.347 4.599 . 0 0 "[ . 1 . 2 ]" 2
749 1 75 THR H 1 75 THR HB 2.500 . 3.500 3.631 3.617 3.667 0.167 4 0 "[ . 1 . 2 ]" 2
750 1 75 THR MG 1 76 PRO HA 3.000 . 4.000 3.247 2.890 3.452 . 0 0 "[ . 1 . 2 ]" 2
751 1 75 THR HA 1 75 THR HB 2.500 . 3.500 2.674 2.671 2.685 . 0 0 "[ . 1 . 2 ]" 2
752 1 75 THR HA 1 75 THR MG 3.000 . 4.000 2.133 2.106 2.179 . 0 0 "[ . 1 . 2 ]" 2
753 1 75 THR H 1 75 THR MG 4.500 . 5.500 3.403 3.370 3.471 . 0 0 "[ . 1 . 2 ]" 2
754 1 75 THR HA 1 76 PRO HA 2.500 . 3.500 2.138 2.085 2.162 . 0 0 "[ . 1 . 2 ]" 2
755 1 75 THR HA 1 77 ASP H 4.000 . 5.000 4.114 1.840 4.241 . 0 0 "[ . 1 . 2 ]" 2
756 1 75 THR HB 1 140 GLU QB 2.500 . 3.500 3.236 2.715 3.565 0.065 19 0 "[ . 1 . 2 ]" 2
757 1 75 THR H 1 140 GLU H 2.500 . 3.500 2.825 2.299 3.430 . 0 0 "[ . 1 . 2 ]" 2
758 1 75 THR H 1 140 GLU QB 4.000 . 5.000 3.069 2.637 3.569 . 0 0 "[ . 1 . 2 ]" 2
759 1 76 PRO HA 1 77 ASP H 1.900 . 2.900 3.009 3.001 3.022 0.122 7 0 "[ . 1 . 2 ]" 2
760 1 76 PRO QB 1 77 ASP H 2.500 . 3.500 1.841 1.640 3.773 0.273 14 0 "[ . 1 . 2 ]" 2
761 1 76 PRO QD 1 139 TYR HA 2.500 . 3.500 3.448 2.210 3.642 0.142 13 0 "[ . 1 . 2 ]" 2
762 1 76 PRO QD 1 139 TYR HB3 2.500 . 3.500 2.290 2.083 3.171 . 0 0 "[ . 1 . 2 ]" 2
763 1 76 PRO QD 1 139 TYR HB2 4.000 . 5.000 2.499 1.957 3.393 . 0 0 "[ . 1 . 2 ]" 2
764 1 76 PRO QD 1 78 MET ME 4.500 . 5.500 3.660 2.137 5.070 . 0 0 "[ . 1 . 2 ]" 2
765 1 76 PRO QB 1 78 MET ME 4.500 . 5.500 3.949 2.325 5.517 0.017 21 0 "[ . 1 . 2 ]" 2
766 1 77 ASP H 1 77 ASP HA 2.500 . 3.500 2.948 2.395 2.987 . 0 0 "[ . 1 . 2 ]" 2
767 1 77 ASP HA 1 78 MET H 1.900 . 2.900 2.326 2.286 2.405 . 0 0 "[ . 1 . 2 ]" 2
768 1 77 ASP H 1 77 ASP HB3 4.000 . 5.000 3.721 3.638 4.138 . 0 0 "[ . 1 . 2 ]" 2
769 1 77 ASP H 1 77 ASP HB2 4.000 . 5.000 2.915 2.698 3.863 . 0 0 "[ . 1 . 2 ]" 2
770 1 77 ASP HB2 1 78 MET H 2.500 . 3.500 3.494 3.371 3.542 0.042 2 0 "[ . 1 . 2 ]" 2
771 1 77 ASP HB3 1 78 MET H 4.000 . 5.000 2.932 2.578 3.040 . 0 0 "[ . 1 . 2 ]" 2
772 1 77 ASP HA 1 103 THR HA 2.500 . 3.500 2.798 2.193 3.532 0.032 14 0 "[ . 1 . 2 ]" 2
773 1 77 ASP HA 1 103 THR MG 4.500 . 5.500 5.216 4.815 5.508 0.008 4 0 "[ . 1 . 2 ]" 2
774 1 78 MET HA 1 79 PRO QD 2.500 . 3.500 2.085 2.045 2.143 . 0 0 "[ . 1 . 2 ]" 2
775 1 78 MET QB 1 78 MET ME 3.000 . 4.000 2.441 1.962 3.215 . 0 0 "[ . 1 . 2 ]" 2
776 1 78 MET ME 1 78 MET QG 3.000 . 4.000 2.170 2.056 2.310 . 0 0 "[ . 1 . 2 ]" 2
777 1 78 MET HA 1 78 MET ME 4.500 . 5.500 4.145 3.656 4.662 . 0 0 "[ . 1 . 2 ]" 2
778 1 78 MET QB 1 78 MET QG 1.900 . 2.900 2.078 1.988 2.108 . 0 0 "[ . 1 . 2 ]" 2
779 1 78 MET H 1 78 MET QB 2.500 . 3.500 3.212 2.925 3.512 0.012 18 0 "[ . 1 . 2 ]" 2
780 1 78 MET H 1 78 MET HA 2.500 . 3.500 2.773 2.726 2.861 . 0 0 "[ . 1 . 2 ]" 2
781 1 78 MET ME 1 137 GLY QA 4.500 . 5.500 3.810 2.473 5.522 0.022 2 0 "[ . 1 . 2 ]" 2
782 1 78 MET ME 1 139 TYR HB3 4.500 . 5.500 3.381 1.945 4.661 . 0 0 "[ . 1 . 2 ]" 2
783 1 78 MET ME 1 139 TYR HB2 4.500 . 5.500 4.610 3.083 5.540 0.040 10 0 "[ . 1 . 2 ]" 2
784 1 78 MET H 1 102 LEU H 2.500 . 3.500 3.263 2.938 3.516 0.016 11 0 "[ . 1 . 2 ]" 2
785 1 79 PRO HA 1 80 VAL H 1.900 . 2.900 2.266 2.207 2.449 . 0 0 "[ . 1 . 2 ]" 2
786 1 79 PRO HA 1 80 VAL QG 5.000 . 6.000 3.175 2.939 3.355 . 0 0 "[ . 1 . 2 ]" 2
787 1 79 PRO QB 1 80 VAL H 2.500 . 3.500 3.147 2.540 3.514 0.014 2 0 "[ . 1 . 2 ]" 2
788 1 79 PRO HA 1 101 PRO HA 2.500 . 3.500 2.187 2.165 2.199 . 0 0 "[ . 1 . 2 ]" 2
789 1 79 PRO HA 1 102 LEU H 2.500 . 3.500 3.046 2.309 3.502 0.002 20 0 "[ . 1 . 2 ]" 2
790 1 79 PRO HA 1 100 ALA MB 4.500 . 5.500 4.357 3.899 4.658 . 0 0 "[ . 1 . 2 ]" 2
791 1 79 PRO HA 1 101 PRO QB 4.000 . 5.000 3.957 3.615 4.178 . 0 0 "[ . 1 . 2 ]" 2
792 1 79 PRO QB 1 99 SER HA 2.500 . 3.500 3.339 2.341 3.521 0.021 1 0 "[ . 1 . 2 ]" 2
793 1 79 PRO QB 1 100 ALA H 4.000 . 5.000 3.344 2.449 3.821 . 0 0 "[ . 1 . 2 ]" 2
794 1 80 VAL H 1 80 VAL MG1 3.000 . 4.000 2.352 1.832 3.238 . 0 0 "[ . 1 . 2 ]" 2
795 1 80 VAL MG1 1 81 ARG H 4.500 . 5.500 3.868 3.223 4.065 . 0 0 "[ . 1 . 2 ]" 2
796 1 80 VAL HB 1 81 ARG H 1.900 . 2.900 2.468 1.996 2.773 . 0 0 "[ . 1 . 2 ]" 2
797 1 80 VAL QG 1 81 ARG H 3.500 . 4.500 2.620 2.034 3.151 . 0 0 "[ . 1 . 2 ]" 2
798 1 80 VAL H 1 80 VAL QG 2.900 . 3.900 1.975 1.786 2.167 0.014 21 0 "[ . 1 . 2 ]" 2
799 1 80 VAL HA 1 81 ARG H 2.500 . 3.500 2.564 2.377 2.780 . 0 0 "[ . 1 . 2 ]" 2
800 1 80 VAL H 1 80 VAL HB 4.000 . 5.000 3.748 3.595 3.921 . 0 0 "[ . 1 . 2 ]" 2
801 1 80 VAL HB 1 133 LEU MD2 4.500 . 5.500 3.334 2.146 4.322 . 0 0 "[ . 1 . 2 ]" 2
802 1 80 VAL MG1 1 102 LEU MD1 3.500 . 4.500 2.446 1.785 4.255 0.015 7 0 "[ . 1 . 2 ]" 2
803 1 80 VAL MG2 1 133 LEU MD2 3.500 . 4.500 3.694 2.807 4.428 . 0 0 "[ . 1 . 2 ]" 2
804 1 80 VAL QG 1 133 LEU MD2 3.400 . 4.400 3.004 1.967 3.694 . 0 0 "[ . 1 . 2 ]" 2
805 1 80 VAL QG 1 82 VAL HB 3.500 . 4.500 3.971 3.317 4.534 0.034 3 0 "[ . 1 . 2 ]" 2
806 1 80 VAL MG1 1 102 LEU MD2 3.500 . 4.500 3.841 2.083 4.506 0.006 18 0 "[ . 1 . 2 ]" 2
807 1 80 VAL QG 1 100 ALA MB 3.400 . 4.400 1.876 1.790 2.058 0.010 10 0 "[ . 1 . 2 ]" 2
808 1 80 VAL H 1 100 ALA MB 4.500 . 5.500 2.969 2.382 3.393 . 0 0 "[ . 1 . 2 ]" 2
809 1 80 VAL QG 1 133 LEU HG 2.900 . 3.900 3.812 3.377 3.918 0.018 8 0 "[ . 1 . 2 ]" 2
810 1 80 VAL QG 1 82 VAL MG2 5.500 . 6.500 3.707 2.103 5.256 . 0 0 "[ . 1 . 2 ]" 2
811 1 80 VAL H 1 101 PRO HA 4.000 . 5.000 3.736 3.411 4.033 . 0 0 "[ . 1 . 2 ]" 2
812 1 80 VAL MG1 1 133 LEU MD2 3.500 . 4.500 3.263 1.992 4.283 . 0 0 "[ . 1 . 2 ]" 2
813 1 80 VAL H 1 100 ALA H 2.500 . 3.500 3.095 2.590 3.504 0.004 18 0 "[ . 1 . 2 ]" 2
814 1 80 VAL QG 1 100 ALA H 5.000 . 6.000 3.397 2.894 3.699 . 0 0 "[ . 1 . 2 ]" 2
815 1 81 ARG HA 1 82 VAL H 1.900 . 2.900 2.280 2.188 2.458 . 0 0 "[ . 1 . 2 ]" 2
816 1 81 ARG QB 1 81 ARG QD 2.500 . 3.500 2.156 2.055 2.568 . 0 0 "[ . 1 . 2 ]" 2
817 1 81 ARG HA 1 81 ARG QG 2.500 . 3.500 2.395 2.110 3.269 . 0 0 "[ . 1 . 2 ]" 2
818 1 81 ARG QG 1 82 VAL H 2.500 . 3.500 2.825 1.799 3.504 0.004 9 0 "[ . 1 . 2 ]" 2
819 1 81 ARG QB 1 132 HIS QB 4.000 . 5.000 2.669 1.945 3.886 . 0 0 "[ . 1 . 2 ]" 2
820 1 81 ARG HA 1 98 GLY HA2 2.500 . 3.500 2.229 2.151 2.535 . 0 0 "[ . 1 . 2 ]" 2
821 1 82 VAL MG2 1 83 LEU H 3.000 . 4.000 2.835 1.931 4.038 0.038 4 0 "[ . 1 . 2 ]" 2
822 1 82 VAL H 1 82 VAL MG1 3.000 . 4.000 2.662 1.798 4.006 0.006 15 0 "[ . 1 . 2 ]" 2
823 1 82 VAL HB 1 82 VAL MG1 2.400 . 3.400 2.139 2.110 2.150 . 0 0 "[ . 1 . 2 ]" 2
824 1 82 VAL HA 1 83 LEU H 1.900 . 2.900 2.333 2.282 2.406 . 0 0 "[ . 1 . 2 ]" 2
825 1 82 VAL H 1 82 VAL HB 2.500 . 3.500 3.419 2.966 3.590 0.090 4 0 "[ . 1 . 2 ]" 2
826 1 82 VAL H 1 82 VAL MG2 3.000 . 4.000 3.181 1.777 3.898 0.023 2 0 "[ . 1 . 2 ]" 2
827 1 82 VAL HB 1 83 LEU H 2.800 . 3.800 3.603 2.712 3.865 0.065 17 0 "[ . 1 . 2 ]" 2
828 1 82 VAL MG1 1 83 LEU H 3.000 . 4.000 3.502 1.939 4.024 0.024 14 0 "[ . 1 . 2 ]" 2
829 1 82 VAL H 1 82 VAL HA 1.900 . 2.900 2.957 2.922 2.985 0.085 16 0 "[ . 1 . 2 ]" 2
830 1 82 VAL MG2 1 131 PHE QD 4.500 . 5.500 3.576 2.140 5.275 . 0 0 "[ . 1 . 2 ]" 2
831 1 82 VAL MG2 1 131 PHE QE 4.500 . 5.500 3.769 2.520 5.477 . 0 0 "[ . 1 . 2 ]" 2
832 1 82 VAL MG1 1 111 TYR QE 3.000 . 4.000 3.232 2.270 4.014 0.014 11 0 "[ . 1 . 2 ]" 2
833 1 82 VAL MG1 1 111 TYR QD 4.500 . 5.500 3.461 2.223 4.935 . 0 0 "[ . 1 . 2 ]" 2
834 1 82 VAL MG1 1 100 ALA MB 3.500 . 4.500 3.044 2.196 4.501 0.001 12 0 "[ . 1 . 2 ]" 2
835 1 82 VAL MG2 1 100 ALA MB 3.500 . 4.500 3.611 2.108 4.525 0.025 18 0 "[ . 1 . 2 ]" 2
836 1 82 VAL MG1 1 97 GLN QB 4.500 . 5.500 4.288 3.174 5.516 0.016 5 0 "[ . 1 . 2 ]" 2
837 1 82 VAL HB 1 111 TYR QE 4.000 . 5.000 4.739 3.042 5.031 0.031 4 0 "[ . 1 . 2 ]" 2
838 1 82 VAL HA 1 131 PHE HA 1.900 . 2.900 2.762 2.359 2.919 0.019 3 0 "[ . 1 . 2 ]" 2
839 1 83 LEU MD1 1 83 LEU HG 2.400 . 3.400 2.138 2.117 2.151 . 0 0 "[ . 1 . 2 ]" 2
840 1 83 LEU HA 1 84 VAL H 1.900 . 2.900 2.310 2.249 2.410 . 0 0 "[ . 1 . 2 ]" 2
841 1 83 LEU H 1 83 LEU HG 2.500 . 3.500 2.320 1.956 2.542 . 0 0 "[ . 1 . 2 ]" 2
842 1 83 LEU QB 1 84 VAL H 1.900 . 2.900 2.793 2.482 2.936 0.036 10 0 "[ . 1 . 2 ]" 2
843 1 83 LEU MD1 1 84 VAL H 4.500 . 5.500 3.638 2.526 4.319 . 0 0 "[ . 1 . 2 ]" 2
844 1 83 LEU H 1 83 LEU MD2 4.500 . 5.500 2.922 2.031 3.572 . 0 0 "[ . 1 . 2 ]" 2
845 1 83 LEU MD1 1 130 ALA H 4.500 . 5.500 3.435 2.573 4.380 . 0 0 "[ . 1 . 2 ]" 2
846 1 83 LEU MD2 1 132 HIS HE1 4.500 . 5.500 2.957 2.095 4.733 . 0 0 "[ . 1 . 2 ]" 2
847 1 83 LEU MD2 1 93 THR MG 5.000 . 6.000 4.998 3.954 5.905 . 0 0 "[ . 1 . 2 ]" 2
848 1 83 LEU MD2 1 130 ALA MB 3.500 . 4.500 2.360 1.986 3.298 . 0 0 "[ . 1 . 2 ]" 2
849 1 83 LEU MD1 1 130 ALA MB 5.000 . 6.000 2.258 1.943 2.988 . 0 0 "[ . 1 . 2 ]" 2
850 1 83 LEU MD1 1 93 THR MG 3.500 . 4.500 3.548 2.518 4.505 0.005 18 0 "[ . 1 . 2 ]" 2
851 1 83 LEU HG 1 130 ALA MB 2.400 . 3.400 2.449 2.151 3.105 . 0 0 "[ . 1 . 2 ]" 2
852 1 83 LEU HA 1 96 GLU HA 2.800 . 3.800 2.878 2.709 3.173 . 0 0 "[ . 1 . 2 ]" 2
853 1 83 LEU MD1 1 85 GLY H 4.500 . 5.500 4.801 3.660 5.505 0.005 21 0 "[ . 1 . 2 ]" 2
854 1 83 LEU H 1 130 ALA MB 3.000 . 4.000 3.973 3.708 4.037 0.037 7 0 "[ . 1 . 2 ]" 2
855 1 83 LEU MD1 1 132 HIS HE1 4.500 . 5.500 3.716 2.192 5.050 . 0 0 "[ . 1 . 2 ]" 2
856 1 84 VAL HA 1 84 VAL QG 3.000 . 4.000 2.087 2.038 2.111 . 0 0 "[ . 1 . 2 ]" 2
857 1 84 VAL HA 1 85 GLY H 1.900 . 2.900 2.347 2.230 2.490 . 0 0 "[ . 1 . 2 ]" 2
858 1 84 VAL QG 1 85 GLY H 3.000 . 4.000 2.080 1.827 2.404 . 0 0 "[ . 1 . 2 ]" 2
859 1 84 VAL H 1 84 VAL HB 2.500 . 3.500 3.204 3.138 3.262 . 0 0 "[ . 1 . 2 ]" 2
860 1 84 VAL HB 1 85 GLY H 4.000 . 5.000 3.406 3.018 3.739 . 0 0 "[ . 1 . 2 ]" 2
861 1 84 VAL QG 1 95 PHE HZ 3.000 . 4.000 3.900 3.640 4.025 0.025 4 0 "[ . 1 . 2 ]" 2
862 1 84 VAL H 1 93 THR MG 4.500 . 5.500 3.936 2.963 4.370 . 0 0 "[ . 1 . 2 ]" 2
863 1 84 VAL HA 1 129 VAL HA 4.000 . 5.000 2.471 2.188 2.911 . 0 0 "[ . 1 . 2 ]" 2
864 1 84 VAL QG 1 95 PHE QE 3.000 . 4.000 2.941 2.784 3.162 . 0 0 "[ . 1 . 2 ]" 2
865 1 84 VAL H 1 95 PHE H 4.000 . 5.000 3.706 3.563 3.953 . 0 0 "[ . 1 . 2 ]" 2
866 1 84 VAL HB 1 95 PHE H 3.000 . 4.000 4.072 4.036 4.164 0.164 18 0 "[ . 1 . 2 ]" 2
867 1 84 VAL H 1 96 GLU HA 2.500 . 3.500 3.545 3.531 3.560 0.060 18 0 "[ . 1 . 2 ]" 2
868 1 84 VAL H 1 95 PHE HB3 4.000 . 5.000 1.848 1.796 1.927 0.004 18 0 "[ . 1 . 2 ]" 2
869 1 85 GLY QA 1 86 GLU H 1.900 . 2.900 2.217 2.169 2.294 . 0 0 "[ . 1 . 2 ]" 2
870 1 85 GLY QA 1 94 ALA H 4.000 . 5.000 3.096 2.798 3.427 . 0 0 "[ . 1 . 2 ]" 2
871 1 85 GLY QA 1 93 THR HA 4.000 . 5.000 3.012 2.597 4.027 . 0 0 "[ . 1 . 2 ]" 2
872 1 85 GLY H 1 128 GLN H 4.000 . 5.000 3.321 2.749 4.073 . 0 0 "[ . 1 . 2 ]" 2
873 1 85 GLY H 1 128 GLN QB 4.000 . 5.000 2.882 2.145 4.087 . 0 0 "[ . 1 . 2 ]" 2
874 1 86 GLU HA 1 87 GLY H 1.900 . 2.900 2.669 2.222 2.912 0.012 20 0 "[ . 1 . 2 ]" 2
875 1 86 GLU HA 1 86 GLU HB2 2.500 . 3.500 2.466 2.310 2.673 . 0 0 "[ . 1 . 2 ]" 2
876 1 86 GLU HA 1 86 GLU HB3 2.500 . 3.500 2.490 2.309 2.673 . 0 0 "[ . 1 . 2 ]" 2
877 1 86 GLU HA 1 86 GLU QG 2.500 . 3.500 3.391 3.242 3.514 0.014 8 0 "[ . 1 . 2 ]" 2
878 1 86 GLU H 1 86 GLU QG 2.500 . 3.500 2.514 1.779 3.410 0.021 12 0 "[ . 1 . 2 ]" 2
879 1 86 GLU H 1 86 GLU HB3 4.000 . 5.000 2.757 2.420 3.172 . 0 0 "[ . 1 . 2 ]" 2
880 1 86 GLU HA 1 128 GLN H 4.000 . 5.000 3.894 3.321 4.505 . 0 0 "[ . 1 . 2 ]" 2
881 1 86 GLU QG 1 92 ARG H 4.000 . 5.000 4.305 3.378 4.986 . 0 0 "[ . 1 . 2 ]" 2
882 1 86 GLU HB2 1 125 ALA MB 4.500 . 5.500 2.806 1.951 4.392 . 0 0 "[ . 1 . 2 ]" 2
883 1 86 GLU HA 1 127 GLY QA 2.500 . 3.500 3.468 3.086 3.538 0.038 18 0 "[ . 1 . 2 ]" 2
884 1 86 GLU QG 1 91 TYR HA 2.500 . 3.500 3.387 2.762 3.562 0.062 18 0 "[ . 1 . 2 ]" 2
885 1 86 GLU HB3 1 125 ALA MB 4.500 . 5.500 3.986 2.243 5.522 0.022 12 0 "[ . 1 . 2 ]" 2
886 1 86 GLU QG 1 88 GLY H 2.500 . 3.500 2.940 1.803 3.515 0.015 21 0 "[ . 1 . 2 ]" 2
887 1 86 GLU H 1 93 THR HA 4.500 . 5.500 3.347 2.826 4.304 . 0 0 "[ . 1 . 2 ]" 2
888 1 87 GLY H 1 87 GLY QA 2.500 . 3.500 2.457 2.235 2.535 . 0 0 "[ . 1 . 2 ]" 2
889 1 87 GLY QA 1 88 GLY H 4.000 . 5.000 2.600 2.256 2.935 . 0 0 "[ . 1 . 2 ]" 2
890 1 87 GLY QA 1 128 GLN HE21 4.000 . 5.000 3.034 1.833 4.768 . 0 0 "[ . 1 . 2 ]" 2
891 1 87 GLY QA 1 128 GLN HE22 4.000 . 5.000 3.500 1.796 5.004 0.004 7 0 "[ . 1 . 2 ]" 2
892 1 88 GLY QA 1 89 GLY H 2.500 . 3.500 2.291 2.161 2.782 . 0 0 "[ . 1 . 2 ]" 2
893 1 88 GLY H 1 88 GLY QA 2.500 . 3.500 2.464 2.249 2.535 . 0 0 "[ . 1 . 2 ]" 2
894 1 88 GLY H 1 89 GLY H 4.000 . 5.000 3.805 1.798 4.639 0.002 11 0 "[ . 1 . 2 ]" 2
895 1 88 GLY H 1 125 ALA MB 4.500 . 5.500 3.372 2.092 4.829 . 0 0 "[ . 1 . 2 ]" 2
896 1 88 GLY QA 1 125 ALA MB 3.000 . 4.000 2.898 1.830 3.924 . 0 0 "[ . 1 . 2 ]" 2
897 1 89 GLY QA 1 90 ALA H 2.500 . 3.500 2.308 2.159 2.896 . 0 0 "[ . 1 . 2 ]" 2
898 1 89 GLY H 1 125 ALA MB 4.500 . 5.500 4.699 3.157 5.513 0.013 7 0 "[ . 1 . 2 ]" 2
899 1 90 ALA H 1 90 ALA MB 2.400 . 3.400 2.597 2.094 3.026 . 0 0 "[ . 1 . 2 ]" 2
900 1 90 ALA H 1 90 ALA HA 2.500 . 3.500 2.668 2.346 2.987 . 0 0 "[ . 1 . 2 ]" 2
901 1 90 ALA HA 1 91 TYR H 4.000 . 5.000 3.156 2.396 3.580 . 0 0 "[ . 1 . 2 ]" 2
902 1 90 ALA H 1 91 TYR H 2.500 . 3.500 2.932 1.797 3.499 0.003 11 0 "[ . 1 . 2 ]" 2
903 1 90 ALA MB 1 91 TYR H 4.500 . 5.500 3.128 1.938 3.727 . 0 0 "[ . 1 . 2 ]" 2
904 1 90 ALA MB 1 92 ARG H 4.500 . 5.500 3.278 2.263 4.552 . 0 0 "[ . 1 . 2 ]" 2
905 1 90 ALA MB 1 92 ARG QG 4.500 . 5.500 3.374 1.936 5.500 0.000 9 0 "[ . 1 . 2 ]" 2
906 1 91 TYR HA 1 92 ARG H 4.000 . 5.000 2.993 2.374 3.566 . 0 0 "[ . 1 . 2 ]" 2
907 1 91 TYR H 1 91 TYR HA 1.900 . 2.900 2.642 2.339 2.903 0.003 8 0 "[ . 1 . 2 ]" 2
908 1 91 TYR HA 1 91 TYR QD 2.500 . 3.500 2.584 2.187 3.174 . 0 0 "[ . 1 . 2 ]" 2
909 1 91 TYR HA 1 91 TYR HB3 2.500 . 3.500 2.455 2.309 2.673 . 0 0 "[ . 1 . 2 ]" 2
910 1 91 TYR HB2 1 91 TYR QD 2.500 . 3.500 2.401 2.301 2.784 . 0 0 "[ . 1 . 2 ]" 2
911 1 91 TYR HB3 1 91 TYR QD 2.500 . 3.500 2.539 2.306 2.766 . 0 0 "[ . 1 . 2 ]" 2
912 1 91 TYR H 1 92 ARG H 4.000 . 5.000 3.222 1.788 4.039 0.012 2 0 "[ . 1 . 2 ]" 2
913 1 92 ARG HA 1 93 THR H 1.900 . 2.900 2.316 2.190 2.677 . 0 0 "[ . 1 . 2 ]" 2
914 1 92 ARG QB 1 92 ARG QD 1.900 . 2.900 2.194 1.940 2.676 . 0 0 "[ . 1 . 2 ]" 2
915 1 92 ARG HA 1 93 THR MG 4.500 . 5.500 3.319 2.914 3.518 . 0 0 "[ . 1 . 2 ]" 2
916 1 92 ARG H 1 92 ARG QG 1.900 . 2.900 2.141 1.787 2.904 0.013 22 0 "[ . 1 . 2 ]" 2
917 1 92 ARG H 1 92 ARG QB 1.900 . 2.900 2.563 2.146 2.901 0.001 7 0 "[ . 1 . 2 ]" 2
918 1 92 ARG QB 1 93 THR H 2.500 . 3.500 3.022 2.020 3.505 0.005 5 0 "[ . 1 . 2 ]" 2
919 1 92 ARG HE 1 92 ARG QG 2.500 . 3.500 2.871 2.291 3.510 0.010 5 0 "[ . 1 . 2 ]" 2
920 1 92 ARG QD 1 117 LEU MD1 3.000 . 4.000 3.865 3.384 4.009 0.009 12 0 "[ . 1 . 2 ]" 2
921 1 93 THR MG 1 94 ALA H 4.500 . 5.500 3.689 2.602 3.935 . 0 0 "[ . 1 . 2 ]" 2
922 1 93 THR H 1 93 THR MG 3.000 . 4.000 1.921 1.785 2.479 0.015 3 0 "[ . 1 . 2 ]" 2
923 1 93 THR HA 1 94 ALA H 1.900 . 2.900 2.526 2.378 2.915 0.015 18 0 "[ . 1 . 2 ]" 2
924 1 93 THR HA 1 93 THR MG 3.000 . 4.000 3.133 3.122 3.173 . 0 0 "[ . 1 . 2 ]" 2
925 1 93 THR HB 1 93 THR MG 2.400 . 3.400 2.141 2.104 2.150 . 0 0 "[ . 1 . 2 ]" 2
926 1 93 THR HB 1 94 ALA H 2.500 . 3.500 3.362 3.191 3.512 0.012 3 0 "[ . 1 . 2 ]" 2
927 1 93 THR HA 1 93 THR HB 2.500 . 3.500 2.313 2.305 2.400 . 0 0 "[ . 1 . 2 ]" 2
928 1 93 THR HB 1 95 PHE H 3.000 . 4.000 4.089 4.067 4.185 0.185 18 0 "[ . 1 . 2 ]" 2
929 1 93 THR HA 1 95 PHE H 4.000 . 5.000 4.149 3.892 4.639 . 0 0 "[ . 1 . 2 ]" 2
930 1 94 ALA H 1 94 ALA MB 3.000 . 4.000 2.406 2.269 2.548 . 0 0 "[ . 1 . 2 ]" 2
931 1 94 ALA MB 1 95 PHE H 3.000 . 4.000 2.959 2.890 3.083 . 0 0 "[ . 1 . 2 ]" 2
932 1 94 ALA H 1 95 PHE H 1.900 . 2.900 1.873 1.781 1.965 0.019 9 0 "[ . 1 . 2 ]" 2
933 1 94 ALA MB 1 119 PHE QE 4.500 . 5.500 3.667 2.219 5.207 . 0 0 "[ . 1 . 2 ]" 2
934 1 94 ALA MB 1 116 ASN H 4.500 . 5.500 3.456 2.676 4.360 . 0 0 "[ . 1 . 2 ]" 2
935 1 94 ALA H 1 119 PHE QE 4.000 . 5.000 4.466 2.781 5.009 0.009 12 0 "[ . 1 . 2 ]" 2
936 1 95 PHE HA 1 96 GLU H 1.900 . 2.900 2.895 2.833 2.927 0.027 13 0 "[ . 1 . 2 ]" 2
937 1 95 PHE HA 1 95 PHE HB2 2.500 . 3.500 2.684 2.678 2.696 . 0 0 "[ . 1 . 2 ]" 2
938 1 95 PHE HA 1 95 PHE HB3 2.500 . 3.500 2.980 2.974 2.984 . 0 0 "[ . 1 . 2 ]" 2
939 1 95 PHE HA 1 95 PHE QD 4.000 . 5.000 2.318 2.181 3.014 . 0 0 "[ . 1 . 2 ]" 2
940 1 95 PHE HB3 1 95 PHE QD 2.500 . 3.500 2.768 2.526 2.788 . 0 0 "[ . 1 . 2 ]" 2
941 1 95 PHE H 1 95 PHE HB2 2.500 . 3.500 2.392 2.364 2.415 . 0 0 "[ . 1 . 2 ]" 2
942 1 95 PHE H 1 95 PHE HB3 1.900 . 2.900 2.873 2.860 2.894 . 0 0 "[ . 1 . 2 ]" 2
943 1 96 GLU HA 1 97 GLN H 1.800 . 2.800 2.487 2.190 2.804 0.004 14 0 "[ . 1 . 2 ]" 2
944 1 96 GLU H 1 96 GLU QB 2.500 . 3.500 2.463 2.154 2.871 . 0 0 "[ . 1 . 2 ]" 2
945 1 96 GLU H 1 96 GLU QG 4.000 . 5.000 3.202 1.801 4.128 . 0 0 "[ . 1 . 2 ]" 2
946 1 97 GLN QB 1 97 GLN QG 1.900 . 2.900 2.091 2.016 2.109 . 0 0 "[ . 1 . 2 ]" 2
947 1 97 GLN HA 1 98 GLY H 1.900 . 2.900 2.390 2.191 2.905 0.005 12 0 "[ . 1 . 2 ]" 2
948 1 97 GLN HA 1 97 GLN QB 2.500 . 3.500 2.211 2.171 2.542 . 0 0 "[ . 1 . 2 ]" 2
949 1 97 GLN H 1 97 GLN HA 2.500 . 3.500 2.982 2.969 2.994 . 0 0 "[ . 1 . 2 ]" 2
950 1 97 GLN HE21 1 97 GLN QG 2.500 . 3.500 2.390 2.214 2.962 . 0 0 "[ . 1 . 2 ]" 2
951 1 97 GLN H 1 97 GLN QB 1.900 . 2.900 2.444 2.196 2.908 0.008 1 0 "[ . 1 . 2 ]" 2
952 1 97 GLN H 1 97 GLN QG 2.500 . 3.500 3.026 2.194 3.562 0.062 5 0 "[ . 1 . 2 ]" 2
953 1 97 GLN QB 1 97 GLN HE22 4.000 . 5.000 3.764 3.189 4.321 . 0 0 "[ . 1 . 2 ]" 2
954 1 97 GLN QB 1 97 GLN HE21 4.000 . 5.000 3.164 1.965 3.966 . 0 0 "[ . 1 . 2 ]" 2
955 1 97 GLN QG 1 100 ALA MB 3.000 . 4.000 3.558 2.487 4.023 0.023 2 0 "[ . 1 . 2 ]" 2
956 1 97 GLN QG 1 99 SER H 2.500 . 3.500 2.632 1.797 3.518 0.018 19 0 "[ . 1 . 2 ]" 2
957 1 97 GLN QB 1 99 SER H 4.000 . 5.000 3.642 3.052 4.337 . 0 0 "[ . 1 . 2 ]" 2
958 1 97 GLN HA 1 99 SER H 4.000 . 5.000 3.855 3.421 4.369 . 0 0 "[ . 1 . 2 ]" 2
959 1 98 GLY H 1 99 SER H 2.500 . 3.500 2.016 1.783 2.574 0.017 2 0 "[ . 1 . 2 ]" 2
960 1 98 GLY QA 1 99 SER H 2.500 . 3.500 2.892 2.730 2.940 . 0 0 "[ . 1 . 2 ]" 2
961 1 99 SER H 1 99 SER HB3 2.500 . 3.500 3.546 3.510 3.591 0.091 19 0 "[ . 1 . 2 ]" 2
962 1 99 SER HA 1 100 ALA H 1.900 . 2.900 2.458 2.275 2.620 . 0 0 "[ . 1 . 2 ]" 2
963 1 99 SER H 1 99 SER HB2 2.500 . 3.500 2.369 2.196 2.927 . 0 0 "[ . 1 . 2 ]" 2
964 1 99 SER H 1 99 SER HA 2.500 . 3.500 2.963 2.859 2.990 . 0 0 "[ . 1 . 2 ]" 2
965 1 99 SER H 1 100 ALA H 4.000 . 5.000 3.719 3.302 4.250 . 0 0 "[ . 1 . 2 ]" 2
966 1 100 ALA H 1 100 ALA MB 3.000 . 4.000 2.357 2.225 2.516 . 0 0 "[ . 1 . 2 ]" 2
967 1 100 ALA MB 1 101 PRO QD 4.500 . 5.500 3.381 3.211 3.487 . 0 0 "[ . 1 . 2 ]" 2
968 1 100 ALA HA 1 101 PRO QD 2.500 . 3.500 2.048 1.991 2.138 . 0 0 "[ . 1 . 2 ]" 2
969 1 100 ALA H 1 100 ALA HA 2.500 . 3.500 2.988 2.976 2.994 . 0 0 "[ . 1 . 2 ]" 2
970 1 100 ALA MB 1 111 TYR QE 4.500 . 5.500 2.201 1.945 2.531 . 0 0 "[ . 1 . 2 ]" 2
971 1 100 ALA MB 1 111 TYR QD 3.000 . 4.000 3.889 3.325 4.077 0.077 17 0 "[ . 1 . 2 ]" 2
972 1 101 PRO HA 1 102 LEU H 1.900 . 2.900 2.212 2.195 2.258 . 0 0 "[ . 1 . 2 ]" 2
973 1 101 PRO QB 1 102 LEU H 2.500 . 3.500 3.370 3.113 3.516 0.016 15 0 "[ . 1 . 2 ]" 2
974 1 102 LEU HA 1 102 LEU MD2 4.500 . 5.500 2.129 1.976 2.444 . 0 0 "[ . 1 . 2 ]" 2
975 1 102 LEU HB2 1 102 LEU MD1 3.000 . 4.000 2.405 2.121 3.185 . 0 0 "[ . 1 . 2 ]" 2
976 1 102 LEU MD2 1 102 LEU HG 2.400 . 3.400 2.129 2.113 2.151 . 0 0 "[ . 1 . 2 ]" 2
977 1 102 LEU HA 1 103 THR H 1.900 . 2.900 2.294 2.196 2.540 . 0 0 "[ . 1 . 2 ]" 2
978 1 102 LEU HA 1 102 LEU HB3 2.500 . 3.500 2.631 2.510 2.679 . 0 0 "[ . 1 . 2 ]" 2
979 1 102 LEU HA 1 102 LEU HB2 2.500 . 3.500 3.002 2.985 3.034 . 0 0 "[ . 1 . 2 ]" 2
980 1 102 LEU HB2 1 102 LEU HG 2.500 . 3.500 2.518 2.384 2.704 . 0 0 "[ . 1 . 2 ]" 2
981 1 102 LEU H 1 102 LEU HB2 2.500 . 3.500 2.593 2.428 2.761 . 0 0 "[ . 1 . 2 ]" 2
982 1 102 LEU H 1 102 LEU HG 4.000 . 5.000 3.666 3.045 4.537 . 0 0 "[ . 1 . 2 ]" 2
983 1 102 LEU H 1 102 LEU MD2 4.500 . 5.500 3.930 2.407 4.587 . 0 0 "[ . 1 . 2 ]" 2
984 1 102 LEU HB2 1 103 THR H 4.000 . 5.000 4.164 3.760 4.459 . 0 0 "[ . 1 . 2 ]" 2
985 1 102 LEU HB3 1 103 THR H 2.500 . 3.500 3.008 2.327 3.502 0.002 8 0 "[ . 1 . 2 ]" 2
986 1 102 LEU H 1 102 LEU HB3 4.000 . 5.000 3.715 3.597 3.869 . 0 0 "[ . 1 . 2 ]" 2
987 1 102 LEU MD1 1 141 PHE QD 4.500 . 5.500 3.857 2.791 5.075 . 0 0 "[ . 1 . 2 ]" 2
988 1 102 LEU MD1 1 141 PHE QE 3.000 . 4.000 2.519 1.920 3.903 . 0 0 "[ . 1 . 2 ]" 2
989 1 103 THR HB 1 104 GLY H 2.500 . 3.500 3.422 3.268 3.511 0.011 11 0 "[ . 1 . 2 ]" 2
990 1 103 THR H 1 103 THR MG 3.000 . 4.000 1.944 1.798 2.183 0.002 22 0 "[ . 1 . 2 ]" 2
991 1 103 THR MG 1 104 GLY H 4.500 . 5.500 3.050 2.500 3.853 . 0 0 "[ . 1 . 2 ]" 2
992 1 103 THR HA 1 103 THR HB 2.500 . 3.500 2.405 2.314 2.511 . 0 0 "[ . 1 . 2 ]" 2
993 1 103 THR HA 1 104 GLY H 2.500 . 3.500 2.749 2.462 2.988 . 0 0 "[ . 1 . 2 ]" 2
994 1 103 THR HA 1 103 THR MG 3.000 . 4.000 3.175 3.135 3.197 . 0 0 "[ . 1 . 2 ]" 2
995 1 103 THR H 1 103 THR HA 2.500 . 3.500 2.981 2.960 2.993 . 0 0 "[ . 1 . 2 ]" 2
996 1 103 THR MG 1 105 GLU H 4.500 . 5.500 2.278 1.800 2.937 0.000 11 0 "[ . 1 . 2 ]" 2
997 1 104 GLY QA 1 105 GLU H 2.500 . 3.500 2.784 2.559 2.921 . 0 0 "[ . 1 . 2 ]" 2
998 1 104 GLY H 1 105 GLU H 2.500 . 3.500 2.913 2.161 3.503 0.003 7 0 "[ . 1 . 2 ]" 2
999 1 105 GLU H 1 105 GLU QB 1.900 . 2.900 2.525 2.212 2.906 0.006 18 0 "[ . 1 . 2 ]" 2
1000 1 105 GLU QB 1 105 GLU QG 1.900 . 2.900 2.074 2.006 2.109 . 0 0 "[ . 1 . 2 ]" 2
1001 1 105 GLU HA 1 106 PRO QD 2.500 . 3.500 2.040 1.954 2.160 . 0 0 "[ . 1 . 2 ]" 2
1002 1 105 GLU H 1 105 GLU QG 4.000 . 5.000 3.604 2.374 4.162 . 0 0 "[ . 1 . 2 ]" 2
1003 1 105 GLU H 1 105 GLU HA 2.500 . 3.500 2.971 2.880 2.993 . 0 0 "[ . 1 . 2 ]" 2
1004 1 106 PRO HA 1 107 ALA H 1.900 . 2.900 2.212 2.205 2.234 . 0 0 "[ . 1 . 2 ]" 2
1005 1 106 PRO QB 1 107 ALA H 2.500 . 3.500 3.480 3.214 3.537 0.037 21 0 "[ . 1 . 2 ]" 2
1006 1 107 ALA MB 1 108 THR H 3.000 . 4.000 2.743 2.099 3.329 . 0 0 "[ . 1 . 2 ]" 2
1007 1 107 ALA H 1 107 ALA MB 3.000 . 4.000 2.786 2.501 3.001 . 0 0 "[ . 1 . 2 ]" 2
1008 1 107 ALA HA 1 107 ALA MB 2.400 . 3.400 2.134 2.109 2.151 . 0 0 "[ . 1 . 2 ]" 2
1009 1 107 ALA HA 1 108 THR H 1.900 . 2.900 2.336 2.181 2.659 . 0 0 "[ . 1 . 2 ]" 2
1010 1 108 THR H 1 108 THR HB 2.500 . 3.500 3.517 3.512 3.521 0.021 10 0 "[ . 1 . 2 ]" 2
1011 1 108 THR H 1 108 THR MG 3.000 . 4.000 3.028 2.990 3.084 . 0 0 "[ . 1 . 2 ]" 2
1012 1 108 THR HA 1 108 THR MG 2.400 . 3.400 2.144 2.057 2.199 . 0 0 "[ . 1 . 2 ]" 2
1013 1 108 THR HB 1 108 THR MG 2.400 . 3.400 2.136 2.112 2.145 . 0 0 "[ . 1 . 2 ]" 2
1014 1 108 THR HA 1 109 ARG H 1.900 . 2.900 2.267 2.207 2.331 . 0 0 "[ . 1 . 2 ]" 2
1015 1 108 THR H 1 108 THR HA 2.500 . 3.500 2.952 2.934 2.956 . 0 0 "[ . 1 . 2 ]" 2
1016 1 108 THR MG 1 109 ARG H 3.000 . 4.000 3.437 3.290 3.702 . 0 0 "[ . 1 . 2 ]" 2
1017 1 109 ARG QD 1 109 ARG QG 1.900 . 2.900 2.052 1.950 2.105 . 0 0 "[ . 1 . 2 ]" 2
1018 1 109 ARG HA 1 110 GLU H 1.900 . 2.900 2.244 2.194 2.356 . 0 0 "[ . 1 . 2 ]" 2
1019 1 109 ARG HA 1 109 ARG QD 2.500 . 3.500 2.300 2.017 3.441 . 0 0 "[ . 1 . 2 ]" 2
1020 1 109 ARG HA 1 109 ARG QB 2.500 . 3.500 2.457 2.317 2.547 . 0 0 "[ . 1 . 2 ]" 2
1021 1 109 ARG QB 1 109 ARG QD 2.500 . 3.500 2.444 2.135 2.935 . 0 0 "[ . 1 . 2 ]" 2
1022 1 109 ARG H 1 109 ARG QB 2.500 . 3.500 2.464 2.232 2.636 . 0 0 "[ . 1 . 2 ]" 2
1023 1 109 ARG QB 1 110 GLU H 1.900 . 2.900 3.046 2.968 3.122 0.222 10 0 "[ . 1 . 2 ]" 2
1024 1 109 ARG QG 1 111 TYR QE 2.500 . 3.500 3.240 2.409 3.546 0.046 22 0 "[ . 1 . 2 ]" 2
1025 1 109 ARG QB 1 111 TYR QE 4.000 . 5.000 2.593 2.143 3.056 . 0 0 "[ . 1 . 2 ]" 2
1026 1 110 GLU HA 1 111 TYR H 1.900 . 2.900 2.224 2.171 2.349 . 0 0 "[ . 1 . 2 ]" 2
1027 1 110 GLU HA 1 110 GLU QB 2.500 . 3.500 2.337 2.162 2.525 . 0 0 "[ . 1 . 2 ]" 2
1028 1 110 GLU QB 1 110 GLU QG 1.900 . 2.900 2.076 2.017 2.108 . 0 0 "[ . 1 . 2 ]" 2
1029 1 110 GLU H 1 110 GLU QB 2.500 . 3.500 2.657 2.274 3.243 . 0 0 "[ . 1 . 2 ]" 2
1030 1 110 GLU QG 1 111 TYR H 4.000 . 5.000 4.282 3.494 4.648 . 0 0 "[ . 1 . 2 ]" 2
1031 1 110 GLU QB 1 111 TYR H 4.000 . 5.000 3.490 2.590 3.981 . 0 0 "[ . 1 . 2 ]" 2
1032 1 110 GLU H 1 110 GLU QG 4.000 . 5.000 2.890 1.837 4.108 . 0 0 "[ . 1 . 2 ]" 2
1033 1 111 TYR HB3 1 111 TYR QD 2.500 . 3.500 2.685 2.303 2.788 . 0 0 "[ . 1 . 2 ]" 2
1034 1 111 TYR HB2 1 111 TYR QD 2.500 . 3.500 2.417 2.294 2.776 . 0 0 "[ . 1 . 2 ]" 2
1035 1 111 TYR HA 1 111 TYR QD 4.000 . 5.000 2.196 2.064 2.899 . 0 0 "[ . 1 . 2 ]" 2
1036 1 111 TYR HA 1 112 ALA H 1.900 . 2.900 2.210 2.181 2.435 . 0 0 "[ . 1 . 2 ]" 2
1037 1 111 TYR H 1 111 TYR HB2 4.000 . 5.000 2.635 2.336 2.958 . 0 0 "[ . 1 . 2 ]" 2
1038 1 111 TYR H 1 111 TYR QD 4.000 . 5.000 3.285 2.714 3.909 . 0 0 "[ . 1 . 2 ]" 2
1039 1 111 TYR H 1 111 TYR HA 1.900 . 2.900 2.980 2.915 2.987 0.087 13 0 "[ . 1 . 2 ]" 2
1040 1 111 TYR H 1 111 TYR HB3 4.000 . 5.000 3.755 3.557 3.970 . 0 0 "[ . 1 . 2 ]" 2
1041 1 112 ALA MB 1 113 PHE H 3.000 . 4.000 2.638 2.209 3.197 . 0 0 "[ . 1 . 2 ]" 2
1042 1 112 ALA HA 1 113 PHE H 1.900 . 2.900 2.370 2.193 2.536 . 0 0 "[ . 1 . 2 ]" 2
1043 1 112 ALA H 1 112 ALA HA 1.900 . 2.900 2.978 2.964 2.984 0.084 16 0 "[ . 1 . 2 ]" 2
1044 1 112 ALA H 1 112 ALA MB 2.400 . 3.400 2.379 2.193 2.530 . 0 0 "[ . 1 . 2 ]" 2
1045 1 113 PHE HA 1 114 THR H 1.900 . 2.900 2.550 2.402 2.822 . 0 0 "[ . 1 . 2 ]" 2
1046 1 113 PHE H 1 113 PHE HA 2.500 . 3.500 2.943 2.845 2.994 . 0 0 "[ . 1 . 2 ]" 2
1047 1 113 PHE HB2 1 114 THR H 2.500 . 3.500 2.284 1.997 2.608 . 0 0 "[ . 1 . 2 ]" 2
1048 1 113 PHE HA 1 113 PHE HB3 2.500 . 3.500 2.382 2.302 2.580 . 0 0 "[ . 1 . 2 ]" 2
1049 1 113 PHE HB3 1 114 THR H 2.500 . 3.500 3.530 3.362 3.583 0.083 7 0 "[ . 1 . 2 ]" 2
1050 1 114 THR H 1 114 THR HB 2.500 . 3.500 3.546 3.517 3.597 0.097 4 0 "[ . 1 . 2 ]" 2
1051 1 114 THR MG 1 115 SER H 3.000 . 4.000 3.753 3.336 3.991 . 0 0 "[ . 1 . 2 ]" 2
1052 1 114 THR HA 1 114 THR MG 3.000 . 4.000 2.188 2.118 2.211 . 0 0 "[ . 1 . 2 ]" 2
1053 1 114 THR HA 1 115 SER H 1.900 . 2.900 2.230 2.185 2.363 . 0 0 "[ . 1 . 2 ]" 2
1054 1 114 THR H 1 114 THR MG 2.400 . 3.400 3.144 2.984 3.319 . 0 0 "[ . 1 . 2 ]" 2
1055 1 115 SER H 1 115 SER QB 2.500 . 3.500 2.458 2.152 3.003 . 0 0 "[ . 1 . 2 ]" 2
1056 1 115 SER QB 1 116 ASN H 4.000 . 5.000 3.521 2.458 4.077 . 0 0 "[ . 1 . 2 ]" 2
1057 1 115 SER HA 1 116 ASN H 1.900 . 2.900 2.271 2.174 2.782 . 0 0 "[ . 1 . 2 ]" 2
1058 1 115 SER H 1 115 SER HA 1.900 . 2.900 2.813 2.724 2.946 0.046 7 0 "[ . 1 . 2 ]" 2
1059 1 115 SER H 1 116 ASN H 4.000 . 5.000 4.402 3.216 4.671 . 0 0 "[ . 1 . 2 ]" 2
1060 1 116 ASN HA 1 117 LEU H 4.000 . 5.000 3.421 2.991 3.589 . 0 0 "[ . 1 . 2 ]" 2
1061 1 116 ASN H 1 117 LEU H 2.500 . 3.500 2.190 1.795 3.073 0.005 4 0 "[ . 1 . 2 ]" 2
1062 1 117 LEU MD1 1 117 LEU HG 2.400 . 3.400 2.129 2.108 2.149 . 0 0 "[ . 1 . 2 ]" 2
1063 1 117 LEU HA 1 117 LEU MD2 3.000 . 4.000 2.633 2.010 3.950 . 0 0 "[ . 1 . 2 ]" 2
1064 1 117 LEU HA 1 117 LEU MD1 2.400 . 3.400 2.707 1.952 3.658 0.258 2 0 "[ . 1 . 2 ]" 2
1065 1 117 LEU H 1 117 LEU MD1 4.500 . 5.500 4.201 1.773 4.912 0.027 21 0 "[ . 1 . 2 ]" 2
1066 1 117 LEU MD2 1 117 LEU HG 2.400 . 3.400 2.131 2.116 2.154 . 0 0 "[ . 1 . 2 ]" 2
1067 1 117 LEU HA 1 118 THR H 1.900 . 2.900 2.455 2.186 2.933 0.033 21 0 "[ . 1 . 2 ]" 2
1068 1 117 LEU H 1 117 LEU QB 2.500 . 3.500 2.544 2.292 3.187 . 0 0 "[ . 1 . 2 ]" 2
1069 1 117 LEU MD1 1 118 THR H 2.400 . 3.400 2.924 1.800 3.439 0.039 6 0 "[ . 1 . 2 ]" 2
1070 1 117 LEU MD1 1 119 PHE QD 4.500 . 5.500 4.448 2.886 5.171 . 0 0 "[ . 1 . 2 ]" 2
1071 1 117 LEU MD1 1 119 PHE QE 3.000 . 4.000 3.380 1.930 4.011 0.011 14 0 "[ . 1 . 2 ]" 2
1072 1 117 LEU HG 1 119 PHE QE 4.000 . 5.000 3.856 2.199 5.003 0.003 10 0 "[ . 1 . 2 ]" 2
1073 1 117 LEU MD2 1 119 PHE QE 4.500 . 5.500 3.548 1.950 4.449 . 0 0 "[ . 1 . 2 ]" 2
1074 1 117 LEU MD2 1 119 PHE QD 4.500 . 5.500 4.537 2.587 5.528 0.028 8 0 "[ . 1 . 2 ]" 2
1075 1 118 THR H 1 118 THR HB 2.500 . 3.500 3.543 3.514 3.620 0.120 2 0 "[ . 1 . 2 ]" 2
1076 1 118 THR MG 1 119 PHE H 3.000 . 4.000 3.686 3.295 3.917 . 0 0 "[ . 1 . 2 ]" 2
1077 1 118 THR HB 1 118 THR MG 2.400 . 3.400 2.129 2.115 2.148 . 0 0 "[ . 1 . 2 ]" 2
1078 1 118 THR HA 1 119 PHE H 1.900 . 2.900 2.238 2.189 2.395 . 0 0 "[ . 1 . 2 ]" 2
1079 1 118 THR HA 1 118 THR MG 3.000 . 4.000 2.144 2.114 2.211 . 0 0 "[ . 1 . 2 ]" 2
1080 1 118 THR H 1 118 THR MG 3.000 . 4.000 3.033 2.716 3.388 . 0 0 "[ . 1 . 2 ]" 2
1081 1 119 PHE HA 1 119 PHE QD 2.500 . 3.500 2.285 2.174 3.061 . 0 0 "[ . 1 . 2 ]" 2
1082 1 119 PHE HA 1 120 PRO QD 2.500 . 3.500 2.090 1.998 2.315 . 0 0 "[ . 1 . 2 ]" 2
1083 1 119 PHE HA 1 119 PHE HB3 2.500 . 3.500 2.545 2.371 2.671 . 0 0 "[ . 1 . 2 ]" 2
1084 1 119 PHE H 1 119 PHE HB2 4.000 . 5.000 2.713 2.410 3.023 . 0 0 "[ . 1 . 2 ]" 2
1085 1 120 PRO HA 1 121 PRO QD 1.900 . 2.900 2.112 2.039 2.285 . 0 0 "[ . 1 . 2 ]" 2
1086 1 120 PRO QB 1 122 ASP H 2.500 . 3.500 2.491 2.241 3.573 0.073 12 0 "[ . 1 . 2 ]" 2
1087 1 121 PRO QD 1 122 ASP HA 4.000 . 5.000 5.026 4.985 5.045 0.045 8 0 "[ . 1 . 2 ]" 2
1088 1 121 PRO HA 1 122 ASP H 4.000 . 5.000 3.482 3.431 3.567 . 0 0 "[ . 1 . 2 ]" 2
1089 1 121 PRO QD 1 122 ASP H 2.500 . 3.500 2.374 2.232 2.952 . 0 0 "[ . 1 . 2 ]" 2
1090 1 121 PRO QB 1 122 ASP H 2.500 . 3.500 3.332 1.774 3.536 0.036 7 0 "[ . 1 . 2 ]" 2
1091 1 121 PRO HA 1 127 GLY H 2.500 . 3.500 3.354 2.870 3.553 0.053 12 0 "[ . 1 . 2 ]" 2
1092 1 122 ASP QB 1 123 GLY H 2.500 . 3.500 2.935 1.800 3.505 0.005 2 0 "[ . 1 . 2 ]" 2
1093 1 122 ASP HA 1 122 ASP QB 2.500 . 3.500 2.330 2.168 2.538 . 0 0 "[ . 1 . 2 ]" 2
1094 1 122 ASP HA 1 123 GLY H 4.000 . 5.000 2.675 2.190 3.572 . 0 0 "[ . 1 . 2 ]" 2
1095 1 122 ASP H 1 122 ASP HA 2.500 . 3.500 2.983 2.874 2.992 . 0 0 "[ . 1 . 2 ]" 2
1096 1 123 GLY QA 1 124 ASP H 2.500 . 3.500 2.347 2.167 2.788 . 0 0 "[ . 1 . 2 ]" 2
1097 1 123 GLY H 1 123 GLY QA 2.500 . 3.500 2.371 2.236 2.528 . 0 0 "[ . 1 . 2 ]" 2
1098 1 124 ASP H 1 124 ASP QB 1.900 . 2.900 2.537 2.071 2.924 0.024 7 0 "[ . 1 . 2 ]" 2
1099 1 124 ASP H 1 125 ALA H 2.500 . 3.500 2.801 1.797 3.501 0.003 3 0 "[ . 1 . 2 ]" 2
1100 1 124 ASP QB 1 125 ALA H 4.000 . 5.000 2.996 1.793 3.930 0.007 10 0 "[ . 1 . 2 ]" 2
1101 1 124 ASP HA 1 125 ALA H 2.800 . 3.800 3.274 2.687 3.579 . 0 0 "[ . 1 . 2 ]" 2
1102 1 124 ASP H 1 124 ASP HA 2.800 . 3.800 2.866 2.372 2.993 . 0 0 "[ . 1 . 2 ]" 2
1103 1 125 ALA H 1 125 ALA MB 3.000 . 4.000 2.667 2.282 2.927 . 0 0 "[ . 1 . 2 ]" 2
1104 1 125 ALA HA 1 126 PRO QD 1.900 . 2.900 2.094 1.949 2.337 . 0 0 "[ . 1 . 2 ]" 2
1105 1 125 ALA H 1 125 ALA HA 2.500 . 3.500 2.925 2.845 2.993 . 0 0 "[ . 1 . 2 ]" 2
1106 1 125 ALA MB 1 126 PRO QD 4.500 . 5.500 2.885 2.028 3.535 . 0 0 "[ . 1 . 2 ]" 2
1107 1 125 ALA H 1 126 PRO QD 4.000 . 5.000 3.405 1.925 4.393 . 0 0 "[ . 1 . 2 ]" 2
1108 1 126 PRO HA 1 127 GLY H 2.500 . 3.500 2.941 2.814 3.414 . 0 0 "[ . 1 . 2 ]" 2
1109 1 126 PRO QB 1 127 GLY H 2.500 . 3.500 2.122 1.760 3.548 0.048 7 0 "[ . 1 . 2 ]" 2
1110 1 126 PRO QG 1 127 GLY H 2.500 . 3.500 3.478 3.070 3.704 0.204 12 0 "[ . 1 . 2 ]" 2
1111 1 127 GLY QA 1 128 GLN H 1.900 . 2.900 2.285 2.236 2.333 . 0 0 "[ . 1 . 2 ]" 2
1112 1 127 GLY H 1 127 GLY QA 2.500 . 3.500 2.281 2.236 2.445 . 0 0 "[ . 1 . 2 ]" 2
1113 1 128 GLN HA 1 129 VAL H 1.900 . 2.900 2.220 2.179 2.319 . 0 0 "[ . 1 . 2 ]" 2
1114 1 128 GLN HA 1 128 GLN QB 2.500 . 3.500 2.451 2.198 2.547 . 0 0 "[ . 1 . 2 ]" 2
1115 1 128 GLN QB 1 129 VAL H 4.000 . 5.000 3.603 3.145 3.904 . 0 0 "[ . 1 . 2 ]" 2
1116 1 128 GLN H 1 128 GLN QB 2.500 . 3.500 2.783 2.670 3.129 . 0 0 "[ . 1 . 2 ]" 2
1117 1 128 GLN QB 1 128 GLN HE22 2.500 . 3.500 3.289 3.030 3.503 0.003 7 0 "[ . 1 . 2 ]" 2
1118 1 128 GLN HA 1 128 GLN HE21 4.000 . 5.000 4.094 1.935 5.002 0.002 19 0 "[ . 1 . 2 ]" 2
1119 1 129 VAL H 1 129 VAL QG 2.400 . 3.400 2.657 2.066 3.048 . 0 0 "[ . 1 . 2 ]" 2
1120 1 129 VAL H 1 129 VAL HB 2.500 . 3.500 3.022 2.717 3.569 0.069 7 0 "[ . 1 . 2 ]" 2
1121 1 129 VAL QG 1 130 ALA H 2.400 . 3.400 2.513 1.868 3.402 0.002 13 0 "[ . 1 . 2 ]" 2
1122 1 129 VAL HA 1 130 ALA H 1.900 . 2.900 2.279 2.196 2.382 . 0 0 "[ . 1 . 2 ]" 2
1123 1 129 VAL H 1 130 ALA MB 3.000 . 4.000 4.046 4.020 4.086 0.086 7 0 "[ . 1 . 2 ]" 2
1124 1 129 VAL HA 1 129 VAL HB 2.500 . 3.500 2.868 2.370 3.038 . 0 0 "[ . 1 . 2 ]" 2
1125 1 129 VAL HA 1 129 VAL QG 3.000 . 4.000 2.112 2.026 2.386 . 0 0 "[ . 1 . 2 ]" 2
1126 1 129 VAL QG 1 131 PHE QE 4.500 . 5.500 2.323 1.896 2.727 . 0 0 "[ . 1 . 2 ]" 2
1127 1 130 ALA MB 1 131 PHE H 3.000 . 4.000 3.299 2.951 3.538 . 0 0 "[ . 1 . 2 ]" 2
1128 1 130 ALA H 1 130 ALA MB 3.000 . 4.000 2.661 2.330 2.837 . 0 0 "[ . 1 . 2 ]" 2
1129 1 130 ALA HA 1 131 PHE H 1.900 . 2.900 2.187 2.166 2.249 . 0 0 "[ . 1 . 2 ]" 2
1130 1 131 PHE H 1 131 PHE HB2 2.500 . 3.500 2.375 2.188 2.789 . 0 0 "[ . 1 . 2 ]" 2
1131 1 131 PHE H 1 131 PHE HB3 4.000 . 5.000 3.597 3.502 3.693 . 0 0 "[ . 1 . 2 ]" 2
1132 1 131 PHE HA 1 132 HIS H 1.900 . 2.900 2.246 2.202 2.399 . 0 0 "[ . 1 . 2 ]" 2
1133 1 131 PHE H 1 131 PHE QD 4.000 . 5.000 2.715 2.408 3.061 . 0 0 "[ . 1 . 2 ]" 2
1134 1 131 PHE HB3 1 132 HIS H 4.000 . 5.000 3.801 3.511 4.177 . 0 0 "[ . 1 . 2 ]" 2
1135 1 131 PHE HB3 1 133 LEU MD2 3.000 . 4.000 3.419 2.645 4.014 0.014 20 0 "[ . 1 . 2 ]" 2
1136 1 131 PHE QE 1 146 VAL QG 4.500 . 5.500 2.965 2.066 3.904 . 0 0 "[ . 1 . 2 ]" 2
1137 1 131 PHE QE 1 143 ILE QG 4.000 . 5.000 4.991 4.494 5.046 0.046 4 0 "[ . 1 . 2 ]" 2
1138 1 131 PHE QE 1 143 ILE MD 4.500 . 5.500 3.346 2.830 5.512 0.012 14 0 "[ . 1 . 2 ]" 2
1139 1 131 PHE QE 1 143 ILE MG 4.000 . 5.000 4.780 4.322 5.016 0.016 14 0 "[ . 1 . 2 ]" 2
1140 1 132 HIS HA 1 133 LEU H 1.900 . 2.900 2.197 2.169 2.237 . 0 0 "[ . 1 . 2 ]" 2
1141 1 132 HIS HA 1 132 HIS HD2 2.500 . 3.500 2.303 2.119 2.761 . 0 0 "[ . 1 . 2 ]" 2
1142 1 132 HIS HA 1 132 HIS QB 2.500 . 3.500 2.453 2.368 2.518 . 0 0 "[ . 1 . 2 ]" 2
1143 1 132 HIS HD2 1 133 LEU H 4.000 . 5.000 4.086 3.466 4.907 . 0 0 "[ . 1 . 2 ]" 2
1144 1 132 HIS H 1 132 HIS QB 2.500 . 3.500 2.317 2.213 2.471 . 0 0 "[ . 1 . 2 ]" 2
1145 1 132 HIS QB 1 133 LEU H 4.000 . 5.000 3.275 3.040 3.736 . 0 0 "[ . 1 . 2 ]" 2
1146 1 133 LEU QB 1 133 LEU MD1 3.000 . 4.000 2.134 2.033 2.327 . 0 0 "[ . 1 . 2 ]" 2
1147 1 133 LEU MD2 1 133 LEU HG 2.400 . 3.400 2.133 2.110 2.153 . 0 0 "[ . 1 . 2 ]" 2
1148 1 133 LEU HA 1 133 LEU MD2 3.000 . 4.000 3.707 2.549 4.049 0.049 16 0 "[ . 1 . 2 ]" 2
1149 1 133 LEU HA 1 133 LEU MD1 4.500 . 5.500 3.499 3.308 3.836 . 0 0 "[ . 1 . 2 ]" 2
1150 1 133 LEU HA 1 133 LEU HG 4.000 . 5.000 2.856 2.335 3.345 . 0 0 "[ . 1 . 2 ]" 2
1151 1 133 LEU HA 1 133 LEU QB 2.500 . 3.500 2.228 2.164 2.373 . 0 0 "[ . 1 . 2 ]" 2
1152 1 133 LEU H 1 134 GLY H 2.500 . 3.500 2.056 1.739 3.360 0.061 17 0 "[ . 1 . 2 ]" 2
1153 1 133 LEU H 1 133 LEU HG 2.500 . 3.500 2.916 2.616 3.504 0.004 19 0 "[ . 1 . 2 ]" 2
1154 1 133 LEU H 1 133 LEU QB 2.500 . 3.500 2.990 2.655 3.331 . 0 0 "[ . 1 . 2 ]" 2
1155 1 133 LEU H 1 133 LEU MD1 4.500 . 5.500 1.935 1.778 3.423 0.022 20 0 "[ . 1 . 2 ]" 2
1156 1 133 LEU H 1 133 LEU MD2 4.500 . 5.500 4.062 3.844 4.489 . 0 0 "[ . 1 . 2 ]" 2
1157 1 133 LEU HG 1 141 PHE QD 4.000 . 5.000 4.910 4.551 5.041 0.041 20 0 "[ . 1 . 2 ]" 2
1158 1 133 LEU QB 1 141 PHE QD 4.000 . 5.000 4.225 3.596 4.997 . 0 0 "[ . 1 . 2 ]" 2
1159 1 133 LEU MD2 1 141 PHE QD 4.500 . 5.500 2.465 2.133 2.822 . 0 0 "[ . 1 . 2 ]" 2
1160 1 133 LEU MD1 1 141 PHE QD 4.500 . 5.500 3.802 2.551 4.240 . 0 0 "[ . 1 . 2 ]" 2
1161 1 133 LEU MD2 1 141 PHE QE 4.500 . 5.500 2.958 2.406 3.525 . 0 0 "[ . 1 . 2 ]" 2
1162 1 134 GLY H 1 134 GLY QA 2.500 . 3.500 2.261 2.234 2.511 . 0 0 "[ . 1 . 2 ]" 2
1163 1 134 GLY QA 1 135 LYS H 2.500 . 3.500 2.192 2.141 2.331 . 0 0 "[ . 1 . 2 ]" 2
1164 1 135 LYS HA 1 136 ALA H 1.900 . 2.900 2.370 2.189 3.021 0.121 12 0 "[ . 1 . 2 ]" 2
1165 1 135 LYS H 1 135 LYS HB2 2.500 . 3.500 2.964 2.617 3.201 . 0 0 "[ . 1 . 2 ]" 2
1166 1 135 LYS HB3 1 137 GLY H 4.000 . 5.000 2.756 2.219 5.003 0.003 12 0 "[ . 1 . 2 ]" 2
1167 1 135 LYS HB2 1 137 GLY H 4.000 . 5.000 3.401 2.255 5.034 0.034 20 0 "[ . 1 . 2 ]" 2
1168 1 135 LYS HA 1 138 ALA MB 3.000 . 4.000 3.647 2.089 4.037 0.037 20 0 "[ . 1 . 2 ]" 2
1169 1 135 LYS HA 1 138 ALA H 2.800 . 3.800 3.862 2.675 4.015 0.215 2 0 "[ . 1 . 2 ]" 2
1170 1 135 LYS HA 1 137 GLY H 4.000 . 5.000 3.553 3.006 3.898 . 0 0 "[ . 1 . 2 ]" 2
1171 1 136 ALA MB 1 137 GLY H 3.000 . 4.000 2.947 2.167 3.506 . 0 0 "[ . 1 . 2 ]" 2
1172 1 136 ALA H 1 136 ALA MB 3.000 . 4.000 2.313 2.086 3.004 . 0 0 "[ . 1 . 2 ]" 2
1173 1 136 ALA H 1 137 GLY H 4.000 . 5.000 2.786 2.420 3.643 . 0 0 "[ . 1 . 2 ]" 2
1174 1 137 GLY QA 1 138 ALA H 1.900 . 2.900 2.883 2.573 2.935 0.035 5 0 "[ . 1 . 2 ]" 2
1175 1 138 ALA H 1 138 ALA MB 2.400 . 3.400 2.181 2.041 2.273 . 0 0 "[ . 1 . 2 ]" 2
1176 1 138 ALA MB 1 139 TYR H 3.000 . 4.000 2.112 1.728 3.746 0.072 8 0 "[ . 1 . 2 ]" 2
1177 1 138 ALA HA 1 139 TYR H 1.900 . 2.900 2.817 2.285 3.164 0.264 11 0 "[ . 1 . 2 ]" 2
1178 1 138 ALA H 1 138 ALA HA 2.500 . 3.500 2.792 2.666 2.963 . 0 0 "[ . 1 . 2 ]" 2
1179 1 139 TYR HB2 1 140 GLU H 2.500 . 3.500 1.775 1.695 2.085 0.105 9 0 "[ . 1 . 2 ]" 2
1180 1 139 TYR HA 1 140 GLU H 2.500 . 3.500 3.163 2.777 3.402 . 0 0 "[ . 1 . 2 ]" 2
1181 1 139 TYR HB3 1 140 GLU H 4.000 . 5.000 3.257 3.198 3.360 . 0 0 "[ . 1 . 2 ]" 2
1182 1 139 TYR H 1 139 TYR QD 2.500 . 3.500 2.491 1.764 3.337 0.036 18 0 "[ . 1 . 2 ]" 2
1183 1 139 TYR QE 1 141 PHE HB2 4.000 . 5.000 3.855 2.571 4.606 . 0 0 "[ . 1 . 2 ]" 2
1184 1 140 GLU HA 1 141 PHE H 1.900 . 2.900 2.265 2.187 2.395 . 0 0 "[ . 1 . 2 ]" 2
1185 1 140 GLU QB 1 141 PHE H 2.500 . 3.500 3.062 2.548 3.424 . 0 0 "[ . 1 . 2 ]" 2
1186 1 141 PHE HA 1 142 CYS H 1.900 . 2.900 2.216 2.193 2.252 . 0 0 "[ . 1 . 2 ]" 2
1187 1 141 PHE HA 1 141 PHE HB2 2.500 . 3.500 2.574 2.466 2.672 . 0 0 "[ . 1 . 2 ]" 2
1188 1 141 PHE H 1 141 PHE HB2 2.500 . 3.500 2.905 2.569 3.132 . 0 0 "[ . 1 . 2 ]" 2
1189 1 141 PHE H 1 141 PHE HB3 4.000 . 5.000 2.805 2.610 2.963 . 0 0 "[ . 1 . 2 ]" 2
1190 1 141 PHE HA 1 141 PHE QD 4.000 . 5.000 2.264 2.185 2.466 . 0 0 "[ . 1 . 2 ]" 2
1191 1 141 PHE HB3 1 142 CYS H 4.000 . 5.000 4.241 4.127 4.419 . 0 0 "[ . 1 . 2 ]" 2
1192 1 141 PHE QD 1 142 CYS H 4.000 . 5.000 3.668 2.946 4.064 . 0 0 "[ . 1 . 2 ]" 2
1193 1 141 PHE QE 1 143 ILE MD 3.000 . 4.000 3.057 2.606 3.971 . 0 0 "[ . 1 . 2 ]" 2
1194 1 141 PHE HZ 1 143 ILE MD 4.500 . 5.500 4.422 3.578 5.488 . 0 0 "[ . 1 . 2 ]" 2
1195 1 141 PHE QD 1 143 ILE MG 4.000 . 5.000 2.221 1.940 2.838 . 0 0 "[ . 1 . 2 ]" 2
1196 1 141 PHE QE 1 143 ILE MG 4.000 . 5.000 2.224 1.992 3.123 . 0 0 "[ . 1 . 2 ]" 2
1197 1 141 PHE HZ 1 143 ILE MG 4.000 . 5.000 3.924 3.437 4.961 . 0 0 "[ . 1 . 2 ]" 2
1198 1 142 CYS HA 1 143 ILE H 1.900 . 2.900 2.236 2.168 2.332 . 0 0 "[ . 1 . 2 ]" 2
1199 1 142 CYS HA 1 142 CYS HB3 2.500 . 3.500 2.619 2.451 2.679 . 0 0 "[ . 1 . 2 ]" 2
1200 1 142 CYS H 1 142 CYS HB2 4.000 . 5.000 2.381 2.240 2.532 . 0 0 "[ . 1 . 2 ]" 2
1201 1 142 CYS HB3 1 143 ILE H 4.000 . 5.000 3.843 3.516 4.099 . 0 0 "[ . 1 . 2 ]" 2
1202 1 142 CYS H 1 142 CYS HB3 2.500 . 3.500 3.596 3.535 3.703 0.203 6 0 "[ . 1 . 2 ]" 2
1203 1 143 ILE HB 1 143 ILE QG 2.500 . 3.500 2.370 2.170 2.433 . 0 0 "[ . 1 . 2 ]" 2
1204 1 143 ILE QG 1 143 ILE MG 2.500 . 3.500 2.292 2.087 2.506 . 0 0 "[ . 1 . 2 ]" 2
1205 1 143 ILE H 1 143 ILE MG 2.500 . 3.500 1.869 1.781 2.152 0.019 5 0 "[ . 1 . 2 ]" 2
1206 1 143 ILE HA 1 143 ILE MD 4.500 . 5.500 3.826 2.433 4.046 . 0 0 "[ . 1 . 2 ]" 2
1207 1 143 ILE HB 1 143 ILE MD 3.000 . 4.000 2.372 2.144 3.138 . 0 0 "[ . 1 . 2 ]" 2
1208 1 143 ILE HB 1 143 ILE MG 1.900 . 2.900 2.146 2.139 2.150 . 0 0 "[ . 1 . 2 ]" 2
1209 1 143 ILE HA 1 143 ILE HB 2.500 . 3.500 2.256 2.233 2.302 . 0 0 "[ . 1 . 2 ]" 2
1210 1 143 ILE QG 1 144 SER H 2.500 . 3.500 2.489 1.982 3.293 . 0 0 "[ . 1 . 2 ]" 2
1211 1 143 ILE H 1 143 ILE HB 2.500 . 3.500 3.532 3.473 3.597 0.097 11 0 "[ . 1 . 2 ]" 2
1212 1 143 ILE HA 1 144 SER H 1.900 . 2.900 2.207 2.175 2.239 . 0 0 "[ . 1 . 2 ]" 2
1213 1 143 ILE HB 1 144 SER H 2.500 . 3.500 3.612 3.552 3.727 0.227 2 0 "[ . 1 . 2 ]" 2
1214 1 143 ILE HA 1 143 ILE QG 2.500 . 3.500 2.869 2.597 3.311 . 0 0 "[ . 1 . 2 ]" 2
1215 1 143 ILE MD 1 146 VAL QG 3.500 . 4.500 2.867 1.779 3.595 0.021 17 0 "[ . 1 . 2 ]" 2
1216 1 143 ILE MD 1 146 VAL HB 3.000 . 4.000 3.063 2.211 4.017 0.017 15 0 "[ . 1 . 2 ]" 2
1217 1 143 ILE QG 1 145 GLN H 2.500 . 3.500 2.345 1.768 3.534 0.034 1 0 "[ . 1 . 2 ]" 2
1218 1 143 ILE HA 1 145 GLN H 2.500 . 3.500 3.655 3.586 3.730 0.230 14 0 "[ . 1 . 2 ]" 2
1219 1 144 SER HA 1 144 SER HB3 2.500 . 3.500 2.542 2.308 2.671 . 0 0 "[ . 1 . 2 ]" 2
1220 1 144 SER HA 1 144 SER HB2 2.500 . 3.500 2.412 2.313 2.674 . 0 0 "[ . 1 . 2 ]" 2
1221 1 144 SER H 1 145 GLN H 1.900 . 2.900 1.783 1.706 1.981 0.094 7 0 "[ . 1 . 2 ]" 2
1222 1 144 SER HA 1 145 GLN H 4.000 . 5.000 3.379 3.305 3.463 . 0 0 "[ . 1 . 2 ]" 2
1223 1 145 GLN HA 1 146 VAL QG 4.000 . 5.000 3.553 2.837 3.999 . 0 0 "[ . 1 . 2 ]" 2
1224 1 145 GLN QG 1 146 VAL H 4.000 . 5.000 4.144 2.125 4.514 . 0 0 "[ . 1 . 2 ]" 2
1225 1 145 GLN HA 1 146 VAL H 1.800 . 2.800 2.443 2.309 2.646 . 0 0 "[ . 1 . 2 ]" 2
1226 1 145 GLN H 1 145 GLN QG 1.900 . 2.900 2.519 2.238 2.939 0.039 5 0 "[ . 1 . 2 ]" 2
1227 1 145 GLN QB 1 146 VAL H 2.500 . 3.500 2.548 2.199 2.853 . 0 0 "[ . 1 . 2 ]" 2
1228 1 145 GLN HA 1 145 GLN QG 3.800 . 4.800 2.904 2.479 3.303 . 0 0 "[ . 1 . 2 ]" 2
1229 1 146 VAL QG 1 147 SER H 2.400 . 3.400 2.777 1.795 3.404 0.005 14 0 "[ . 1 . 2 ]" 2
1230 1 146 VAL H 1 146 VAL QG 3.000 . 4.000 2.547 2.074 3.173 . 0 0 "[ . 1 . 2 ]" 2
1231 1 146 VAL HA 1 146 VAL QG 3.000 . 4.000 2.169 2.041 2.323 . 0 0 "[ . 1 . 2 ]" 2
1232 1 146 VAL HA 1 147 SER H 1.900 . 2.900 2.253 2.191 2.453 . 0 0 "[ . 1 . 2 ]" 2
1233 1 146 VAL HA 1 146 VAL HB 2.500 . 3.500 2.610 2.409 3.034 . 0 0 "[ . 1 . 2 ]" 2
1234 1 146 VAL H 1 146 VAL HB 2.500 . 3.500 3.347 2.683 3.542 0.042 10 0 "[ . 1 . 2 ]" 2
1235 1 147 SER H 1 147 SER QB 2.500 . 3.500 2.754 2.101 3.392 . 0 0 "[ . 1 . 2 ]" 2
1236 1 147 SER HA 1 148 LEU H 2.500 . 3.500 2.314 2.192 2.569 . 0 0 "[ . 1 . 2 ]" 2
1237 1 147 SER H 1 147 SER HA 1.900 . 2.900 2.953 2.901 2.984 0.084 16 0 "[ . 1 . 2 ]" 2
1238 1 148 LEU HA 1 148 LEU MD1 3.000 . 4.000 2.735 2.078 4.099 0.099 7 0 "[ . 1 . 2 ]" 2
1239 1 148 LEU QB 1 148 LEU MD2 3.000 . 4.000 2.084 2.030 2.283 . 0 0 "[ . 1 . 2 ]" 2
1240 1 148 LEU QB 1 148 LEU MD1 2.400 . 3.400 2.217 2.023 2.383 . 0 0 "[ . 1 . 2 ]" 2
1241 1 148 LEU HA 1 149 THR H 1.900 . 2.900 2.325 2.191 2.836 . 0 0 "[ . 1 . 2 ]" 2
1242 1 148 LEU HA 1 148 LEU QB 2.500 . 3.500 2.258 2.180 2.468 . 0 0 "[ . 1 . 2 ]" 2
1243 1 148 LEU MD2 1 148 LEU HG 2.400 . 3.400 2.134 2.111 2.153 . 0 0 "[ . 1 . 2 ]" 2
1244 1 148 LEU MD1 1 149 THR H 3.000 . 4.000 2.466 1.864 4.001 0.001 7 0 "[ . 1 . 2 ]" 2
1245 1 148 LEU HA 1 148 LEU MD2 4.500 . 5.500 3.681 2.111 4.135 . 0 0 "[ . 1 . 2 ]" 2
1246 1 149 THR HB 1 150 THR H 2.500 . 3.500 3.367 3.247 3.503 0.003 6 0 "[ . 1 . 2 ]" 2
1247 1 149 THR H 1 149 THR MG 3.000 . 4.000 2.255 1.803 2.569 . 0 0 "[ . 1 . 2 ]" 2
1248 1 149 THR MG 1 150 THR H 3.000 . 4.000 3.140 2.067 3.833 . 0 0 "[ . 1 . 2 ]" 2
1249 1 149 THR HA 1 149 THR HB 2.500 . 3.500 2.380 2.310 2.475 . 0 0 "[ . 1 . 2 ]" 2
1250 1 149 THR HA 1 149 THR MG 3.000 . 4.000 3.162 3.129 3.199 . 0 0 "[ . 1 . 2 ]" 2
1251 1 149 THR HB 1 149 THR MG 2.400 . 3.400 2.120 2.106 2.150 . 0 0 "[ . 1 . 2 ]" 2
1252 1 149 THR HA 1 150 THR H 1.900 . 2.900 2.754 2.470 3.045 0.145 13 0 "[ . 1 . 2 ]" 2
1253 1 150 THR H 1 150 THR MG 3.000 . 4.000 2.411 1.977 2.883 . 0 0 "[ . 1 . 2 ]" 2
1254 1 150 THR MG 1 151 SER H 4.500 . 5.500 1.843 1.774 2.311 0.026 22 0 "[ . 1 . 2 ]" 2
1255 1 150 THR MG 1 151 SER HA 2.400 . 3.400 3.270 2.809 3.446 0.046 21 0 "[ . 1 . 2 ]" 2
1256 1 150 THR HB 1 150 THR MG 2.400 . 3.400 2.129 2.109 2.148 . 0 0 "[ . 1 . 2 ]" 2
1257 1 150 THR HA 1 151 SER H 2.500 . 3.500 3.318 2.840 3.543 0.043 18 0 "[ . 1 . 2 ]" 2
1258 1 150 THR HB 1 151 SER H 2.500 . 3.500 3.419 3.238 3.558 0.058 22 0 "[ . 1 . 2 ]" 2
1259 1 150 THR MG 1 152 ALA H 4.500 . 5.500 3.735 1.892 5.466 . 0 0 "[ . 1 . 2 ]" 2
1260 1 151 SER QB 1 152 ALA H 4.000 . 5.000 3.465 2.108 4.064 . 0 0 "[ . 1 . 2 ]" 2
1261 1 151 SER H 1 151 SER QB 2.500 . 3.500 3.009 2.386 3.502 0.002 1 0 "[ . 1 . 2 ]" 2
1262 1 151 SER HA 1 152 ALA H 1.900 . 2.900 2.497 2.195 2.906 0.006 19 0 "[ . 1 . 2 ]" 2
1263 1 152 ALA H 1 152 ALA MB 3.000 . 4.000 2.601 2.129 2.917 . 0 0 "[ . 1 . 2 ]" 2
1264 1 152 ALA HA 1 152 ALA MB 2.400 . 3.400 2.131 2.113 2.151 . 0 0 "[ . 1 . 2 ]" 2
1265 1 152 ALA H 1 152 ALA HA 2.500 . 3.500 2.804 2.345 2.993 . 0 0 "[ . 1 . 2 ]" 2
1266 1 152 ALA HA 1 153 THR H 2.500 . 3.500 2.582 2.196 3.088 . 0 0 "[ . 1 . 2 ]" 2
1267 1 152 ALA MB 1 153 THR H 4.500 . 5.500 2.745 1.798 3.624 0.002 3 0 "[ . 1 . 2 ]" 2
1268 1 153 THR HA 1 153 THR MG 3.000 . 4.000 2.422 2.144 3.191 . 0 0 "[ . 1 . 2 ]" 2
1269 1 153 THR H 1 153 THR HB 1.900 . 2.900 2.751 2.381 2.902 0.002 21 0 "[ . 1 . 2 ]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 86
_Distance_constraint_stats_list.Viol_count 568
_Distance_constraint_stats_list.Viol_total 312.974
_Distance_constraint_stats_list.Viol_max 0.152
_Distance_constraint_stats_list.Viol_rms 0.0180
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0075
_Distance_constraint_stats_list.Viol_average_violations_only 0.0250
_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 23 SER 0.095 0.028 1 0 "[ . 1 . 2 ]"
1 25 TYR 0.413 0.060 1 0 "[ . 1 . 2 ]"
1 31 VAL 2.011 0.111 2 0 "[ . 1 . 2 ]"
1 37 MET 0.005 0.005 16 0 "[ . 1 . 2 ]"
1 38 CYS 2.011 0.111 2 0 "[ . 1 . 2 ]"
1 39 VAL 1.047 0.065 7 0 "[ . 1 . 2 ]"
1 41 LEU 1.078 0.107 11 0 "[ . 1 . 2 ]"
1 52 GLY 0.413 0.060 1 0 "[ . 1 . 2 ]"
1 53 LEU 0.799 0.091 6 0 "[ . 1 . 2 ]"
1 54 VAL 0.095 0.028 1 0 "[ . 1 . 2 ]"
1 55 TYR 0.331 0.053 6 0 "[ . 1 . 2 ]"
1 60 VAL 0.062 0.009 21 0 "[ . 1 . 2 ]"
1 66 TYR 1.003 0.075 7 0 "[ . 1 . 2 ]"
1 67 VAL 0.088 0.022 3 0 "[ . 1 . 2 ]"
1 68 LEU 0.912 0.088 21 0 "[ . 1 . 2 ]"
1 69 SER 0.399 0.050 4 0 "[ . 1 . 2 ]"
1 70 PHE 2.467 0.152 2 0 "[ . 1 . 2 ]"
1 72 ALA 0.769 0.060 6 0 "[ . 1 . 2 ]"
1 73 SER 0.648 0.043 7 0 "[ . 1 . 2 ]"
1 75 THR 0.560 0.073 19 0 "[ . 1 . 2 ]"
1 78 MET 0.461 0.051 18 0 "[ . 1 . 2 ]"
1 80 VAL 0.380 0.053 3 0 "[ . 1 . 2 ]"
1 83 LEU 0.198 0.026 12 0 "[ . 1 . 2 ]"
1 84 VAL 0.409 0.103 18 0 "[ . 1 . 2 ]"
1 85 GLY 0.092 0.021 6 0 "[ . 1 . 2 ]"
1 95 PHE 0.409 0.103 18 0 "[ . 1 . 2 ]"
1 100 ALA 0.380 0.053 3 0 "[ . 1 . 2 ]"
1 102 LEU 0.461 0.051 18 0 "[ . 1 . 2 ]"
1 107 ALA 0.769 0.060 6 0 "[ . 1 . 2 ]"
1 109 ARG 2.467 0.152 2 0 "[ . 1 . 2 ]"
1 111 TYR 0.912 0.088 21 0 "[ . 1 . 2 ]"
1 113 PHE 1.003 0.075 7 0 "[ . 1 . 2 ]"
1 119 PHE 0.062 0.009 21 0 "[ . 1 . 2 ]"
1 128 GLN 0.092 0.021 6 0 "[ . 1 . 2 ]"
1 129 VAL 0.331 0.053 6 0 "[ . 1 . 2 ]"
1 130 ALA 0.198 0.026 12 0 "[ . 1 . 2 ]"
1 131 PHE 0.799 0.091 6 0 "[ . 1 . 2 ]"
1 139 TYR 1.078 0.107 11 0 "[ . 1 . 2 ]"
1 140 GLU 0.560 0.073 19 0 "[ . 1 . 2 ]"
1 141 PHE 1.047 0.065 7 0 "[ . 1 . 2 ]"
1 142 CYS 0.648 0.043 7 0 "[ . 1 . 2 ]"
1 143 ILE 0.005 0.005 16 0 "[ . 1 . 2 ]"
1 147 SER 0.399 0.050 4 0 "[ . 1 . 2 ]"
1 149 THR 0.088 0.022 3 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 23 SER O 1 54 VAL H 1.800 . 2.500 2.154 1.567 2.520 0.020 7 0 "[ . 1 . 2 ]" 3
2 1 23 SER O 1 54 VAL N 2.800 2.500 3.500 2.912 2.497 3.429 0.003 13 0 "[ . 1 . 2 ]" 3
3 1 23 SER H 1 54 VAL O 1.800 . 2.500 1.988 1.533 2.509 0.009 6 0 "[ . 1 . 2 ]" 3
4 1 23 SER N 1 54 VAL O 2.800 2.500 3.500 2.859 2.472 3.354 0.028 1 0 "[ . 1 . 2 ]" 3
5 1 25 TYR O 1 52 GLY H 1.800 . 2.500 2.410 2.147 2.534 0.034 19 0 "[ . 1 . 2 ]" 3
6 1 25 TYR O 1 52 GLY N 2.800 2.500 3.500 3.273 3.061 3.451 . 0 0 "[ . 1 . 2 ]" 3
7 1 25 TYR H 1 52 GLY O 1.800 . 2.500 2.496 2.341 2.560 0.060 1 0 "[ . 1 . 2 ]" 3
8 1 25 TYR N 1 52 GLY O 2.800 2.500 3.500 3.402 3.225 3.515 0.015 1 0 "[ . 1 . 2 ]" 3
9 1 53 LEU O 1 131 PHE H 1.800 . 2.500 2.211 1.725 2.531 0.031 22 0 "[ . 1 . 2 ]" 3
10 1 53 LEU O 1 131 PHE N 2.800 2.500 3.500 3.044 2.650 3.337 . 0 0 "[ . 1 . 2 ]" 3
11 1 53 LEU H 1 131 PHE O 1.800 . 2.500 2.531 2.476 2.591 0.091 6 0 "[ . 1 . 2 ]" 3
12 1 53 LEU N 1 131 PHE O 2.800 2.500 3.500 3.270 3.164 3.429 . 0 0 "[ . 1 . 2 ]" 3
13 1 55 TYR O 1 129 VAL H 1.800 . 2.500 2.482 2.238 2.529 0.029 11 0 "[ . 1 . 2 ]" 3
14 1 55 TYR O 1 129 VAL N 2.800 2.500 3.500 2.933 2.502 3.338 . 0 0 "[ . 1 . 2 ]" 3
15 1 55 TYR H 1 129 VAL O 1.800 . 2.500 2.371 2.125 2.553 0.053 6 0 "[ . 1 . 2 ]" 3
16 1 55 TYR N 1 129 VAL O 2.800 2.500 3.500 3.114 2.888 3.357 . 0 0 "[ . 1 . 2 ]" 3
17 1 85 GLY O 1 128 GLN H 1.800 . 2.500 2.456 2.140 2.521 0.021 6 0 "[ . 1 . 2 ]" 3
18 1 85 GLY O 1 128 GLN N 2.800 2.500 3.500 2.799 2.493 3.131 0.007 18 0 "[ . 1 . 2 ]" 3
19 1 85 GLY H 1 128 GLN O 1.800 . 2.500 2.142 1.785 2.502 0.002 4 0 "[ . 1 . 2 ]" 3
20 1 85 GLY N 1 128 GLN O 2.800 2.500 3.500 3.059 2.655 3.452 . 0 0 "[ . 1 . 2 ]" 3
21 1 83 LEU O 1 130 ALA H 1.800 . 2.500 2.380 2.163 2.524 0.024 2 0 "[ . 1 . 2 ]" 3
22 1 83 LEU O 1 130 ALA N 2.800 2.500 3.500 3.235 3.075 3.420 . 0 0 "[ . 1 . 2 ]" 3
23 1 83 LEU H 1 130 ALA O 1.800 . 2.500 2.464 2.213 2.526 0.026 12 0 "[ . 1 . 2 ]" 3
24 1 83 LEU N 1 130 ALA O 2.800 2.500 3.500 3.335 3.136 3.449 . 0 0 "[ . 1 . 2 ]" 3
25 1 78 MET O 1 102 LEU H 1.800 . 2.500 2.490 2.252 2.551 0.051 18 0 "[ . 1 . 2 ]" 3
26 1 78 MET O 1 102 LEU N 2.800 2.500 3.500 3.371 3.160 3.520 0.020 18 0 "[ . 1 . 2 ]" 3
27 1 78 MET H 1 102 LEU O 1.800 . 2.500 2.375 1.930 2.521 0.021 15 0 "[ . 1 . 2 ]" 3
28 1 78 MET N 1 102 LEU O 2.800 2.500 3.500 3.314 2.890 3.498 . 0 0 "[ . 1 . 2 ]" 3
29 1 80 VAL O 1 100 ALA H 1.800 . 2.500 2.517 2.502 2.553 0.053 3 0 "[ . 1 . 2 ]" 3
30 1 80 VAL O 1 100 ALA N 2.800 2.500 3.500 3.389 3.226 3.502 0.002 3 0 "[ . 1 . 2 ]" 3
31 1 80 VAL H 1 100 ALA O 1.800 . 2.500 1.993 1.672 2.447 . 0 0 "[ . 1 . 2 ]" 3
32 1 80 VAL N 1 100 ALA O 2.800 2.500 3.500 2.911 2.617 3.335 . 0 0 "[ . 1 . 2 ]" 3
33 1 84 VAL O 1 95 PHE H 1.800 . 2.500 2.498 2.216 2.603 0.103 18 0 "[ . 1 . 2 ]" 3
34 1 84 VAL O 1 95 PHE N 2.800 2.500 3.500 3.288 3.021 3.337 . 0 0 "[ . 1 . 2 ]" 3
35 1 84 VAL H 1 95 PHE O 1.800 . 2.500 2.418 2.137 2.512 0.012 19 0 "[ . 1 . 2 ]" 3
36 1 84 VAL N 1 95 PHE O 2.800 2.500 3.500 3.192 2.978 3.300 . 0 0 "[ . 1 . 2 ]" 3
37 1 31 VAL O 1 38 CYS H 1.800 . 2.500 2.558 2.528 2.611 0.111 2 0 "[ . 1 . 2 ]" 3
38 1 31 VAL O 1 38 CYS N 2.800 2.500 3.500 3.431 3.344 3.486 . 0 0 "[ . 1 . 2 ]" 3
39 1 31 VAL H 1 38 CYS O 1.800 . 2.500 2.533 2.504 2.579 0.079 14 0 "[ . 1 . 2 ]" 3
40 1 31 VAL N 1 38 CYS O 2.800 2.500 3.500 3.389 3.269 3.476 . 0 0 "[ . 1 . 2 ]" 3
41 1 37 MET O 1 143 ILE H 1.800 . 2.500 2.083 1.646 2.413 . 0 0 "[ . 1 . 2 ]" 3
42 1 37 MET O 1 143 ILE N 2.800 2.500 3.500 2.901 2.612 3.126 . 0 0 "[ . 1 . 2 ]" 3
43 1 37 MET H 1 143 ILE O 1.800 . 2.500 1.980 1.567 2.376 . 0 0 "[ . 1 . 2 ]" 3
44 1 37 MET N 1 143 ILE O 2.800 2.500 3.500 2.892 2.495 3.257 0.005 16 0 "[ . 1 . 2 ]" 3
45 1 39 VAL O 1 141 PHE H 1.800 . 2.500 2.527 2.239 2.565 0.065 7 0 "[ . 1 . 2 ]" 3
46 1 39 VAL O 1 141 PHE N 2.800 2.500 3.500 3.483 3.214 3.527 0.027 6 0 "[ . 1 . 2 ]" 3
47 1 39 VAL H 1 141 PHE O 1.800 . 2.500 2.255 2.128 2.511 0.011 11 0 "[ . 1 . 2 ]" 3
48 1 39 VAL N 1 141 PHE O 2.800 2.500 3.500 3.130 3.000 3.350 . 0 0 "[ . 1 . 2 ]" 3
49 1 41 LEU O 1 139 TYR H 1.800 . 2.500 2.523 2.274 2.607 0.107 11 0 "[ . 1 . 2 ]" 3
50 1 41 LEU O 1 139 TYR N 2.800 2.500 3.500 2.717 2.440 3.303 0.060 5 0 "[ . 1 . 2 ]" 3
51 1 41 LEU H 1 139 TYR O 1.800 . 2.500 2.285 1.829 2.522 0.022 15 0 "[ . 1 . 2 ]" 3
52 1 41 LEU N 1 139 TYR O 2.800 2.500 3.500 2.960 2.484 3.456 0.016 1 0 "[ . 1 . 2 ]" 3
53 1 67 VAL O 1 149 THR H 1.800 . 2.500 2.372 2.090 2.522 0.022 3 0 "[ . 1 . 2 ]" 3
54 1 67 VAL O 1 149 THR N 2.800 2.500 3.500 3.277 2.937 3.496 . 0 0 "[ . 1 . 2 ]" 3
55 1 67 VAL H 1 149 THR O 1.800 . 2.500 2.275 1.945 2.513 0.013 17 0 "[ . 1 . 2 ]" 3
56 1 67 VAL N 1 149 THR O 2.800 2.500 3.500 3.031 2.740 3.289 . 0 0 "[ . 1 . 2 ]" 3
57 1 69 SER O 1 147 SER H 1.800 . 2.500 2.439 1.883 2.550 0.050 4 0 "[ . 1 . 2 ]" 3
58 1 69 SER O 1 147 SER N 2.800 2.500 3.500 3.326 2.751 3.508 0.008 9 0 "[ . 1 . 2 ]" 3
59 1 69 SER H 1 147 SER O 1.800 . 2.500 2.317 1.898 2.528 0.028 13 0 "[ . 1 . 2 ]" 3
60 1 69 SER N 1 147 SER O 2.800 2.500 3.500 3.207 2.805 3.484 . 0 0 "[ . 1 . 2 ]" 3
61 1 73 SER O 1 142 CYS H 1.800 . 2.500 2.515 2.440 2.541 0.041 13 0 "[ . 1 . 2 ]" 3
62 1 73 SER O 1 142 CYS N 2.800 2.500 3.500 3.464 3.349 3.507 0.007 16 0 "[ . 1 . 2 ]" 3
63 1 73 SER H 1 142 CYS O 1.800 . 2.500 2.452 2.051 2.543 0.043 7 0 "[ . 1 . 2 ]" 3
64 1 73 SER N 1 142 CYS O 2.800 2.500 3.500 3.256 2.899 3.386 . 0 0 "[ . 1 . 2 ]" 3
65 1 75 THR O 1 140 GLU H 1.800 . 2.500 2.347 1.756 2.542 0.042 5 0 "[ . 1 . 2 ]" 3
66 1 75 THR O 1 140 GLU N 2.800 2.500 3.500 3.023 2.636 3.268 . 0 0 "[ . 1 . 2 ]" 3
67 1 75 THR H 1 140 GLU O 1.800 . 2.500 2.407 2.013 2.573 0.073 19 0 "[ . 1 . 2 ]" 3
68 1 75 THR N 1 140 GLU O 2.800 2.500 3.500 3.331 2.859 3.501 0.001 19 0 "[ . 1 . 2 ]" 3
69 1 60 VAL O 1 119 PHE H 1.800 . 2.500 2.157 1.810 2.503 0.003 13 0 "[ . 1 . 2 ]" 3
70 1 60 VAL O 1 119 PHE N 2.800 2.500 3.500 3.018 2.702 3.429 . 0 0 "[ . 1 . 2 ]" 3
71 1 60 VAL H 1 119 PHE O 1.800 . 2.500 2.394 1.989 2.509 0.009 21 0 "[ . 1 . 2 ]" 3
72 1 60 VAL N 1 119 PHE O 2.800 2.500 3.500 3.262 2.903 3.475 . 0 0 "[ . 1 . 2 ]" 3
73 1 66 TYR O 1 113 PHE H 1.800 . 2.500 2.530 2.509 2.575 0.075 7 0 "[ . 1 . 2 ]" 3
74 1 66 TYR O 1 113 PHE N 2.800 2.500 3.500 3.363 3.283 3.474 . 0 0 "[ . 1 . 2 ]" 3
75 1 66 TYR H 1 113 PHE O 1.800 . 2.500 2.516 2.500 2.533 0.033 6 0 "[ . 1 . 2 ]" 3
76 1 66 TYR N 1 113 PHE O 2.800 2.500 3.500 3.229 3.159 3.317 . 0 0 "[ . 1 . 2 ]" 3
77 1 68 LEU O 1 111 TYR H 1.800 . 2.500 2.436 1.980 2.588 0.088 21 0 "[ . 1 . 2 ]" 3
78 1 68 LEU O 1 111 TYR N 2.800 2.500 3.500 3.320 2.953 3.469 . 0 0 "[ . 1 . 2 ]" 3
79 1 68 LEU H 1 111 TYR O 1.800 . 2.500 2.524 2.501 2.545 0.045 17 0 "[ . 1 . 2 ]" 3
80 1 68 LEU N 1 111 TYR O 2.800 2.500 3.500 3.311 2.999 3.498 . 0 0 "[ . 1 . 2 ]" 3
81 1 70 PHE O 1 109 ARG H 1.800 . 2.500 2.303 1.773 2.567 0.067 15 0 "[ . 1 . 2 ]" 3
82 1 70 PHE O 1 109 ARG N 2.800 2.500 3.500 3.194 2.713 3.430 . 0 0 "[ . 1 . 2 ]" 3
83 1 70 PHE H 1 109 ARG O 1.800 . 2.500 2.600 2.503 2.652 0.152 2 0 "[ . 1 . 2 ]" 3
84 1 70 PHE N 1 109 ARG O 2.800 2.500 3.500 3.377 3.299 3.439 . 0 0 "[ . 1 . 2 ]" 3
85 1 72 ALA H 1 107 ALA O 1.800 . 2.500 2.533 2.509 2.560 0.060 6 0 "[ . 1 . 2 ]" 3
86 1 72 ALA N 1 107 ALA O 2.800 2.500 3.500 3.455 3.259 3.516 0.016 18 0 "[ . 1 . 2 ]" 3
stop_
save_
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