NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
531906 |
2loy   |
16833 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2loy
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 958
_Distance_constraint_stats_list.Viol_count 957
_Distance_constraint_stats_list.Viol_total 1155.501
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0173
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0030
_Distance_constraint_stats_list.Viol_average_violations_only 0.0604
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LEU 1.391 0.139 2 0 "[ . 1 . 2]"
1 3 ILE 0.681 0.139 2 0 "[ . 1 . 2]"
1 4 TYR 0.656 0.135 2 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.787 0.118 14 0 "[ . 1 . 2]"
1 7 ILE 0.207 0.153 6 0 "[ . 1 . 2]"
1 8 PHE 2.937 0.324 14 0 "[ . 1 . 2]"
1 9 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 2.812 0.324 14 0 "[ . 1 . 2]"
1 12 GLU 0.016 0.016 16 0 "[ . 1 . 2]"
1 13 LEU 2.153 0.262 18 0 "[ . 1 . 2]"
1 14 SER 1.814 0.262 18 0 "[ . 1 . 2]"
1 15 SER 0.517 0.168 10 0 "[ . 1 . 2]"
1 16 ASP 0.276 0.177 14 0 "[ . 1 . 2]"
1 17 SER 0.077 0.065 9 0 "[ . 1 . 2]"
1 18 PHE 0.998 0.177 14 0 "[ . 1 . 2]"
1 20 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.009 0.005 2 0 "[ . 1 . 2]"
1 22 LEU 0.849 0.136 18 0 "[ . 1 . 2]"
1 23 VAL 2.028 0.164 18 0 "[ . 1 . 2]"
1 24 ASP 0.174 0.174 8 0 "[ . 1 . 2]"
1 25 ASP 0.524 0.174 8 0 "[ . 1 . 2]"
1 26 LEU 2.109 0.164 18 0 "[ . 1 . 2]"
1 27 VAL 1.504 0.174 11 0 "[ . 1 . 2]"
1 28 TYR 1.138 0.231 20 0 "[ . 1 . 2]"
1 29 GLU 0.081 0.072 9 0 "[ . 1 . 2]"
1 30 PHE 0.312 0.098 10 0 "[ . 1 . 2]"
1 31 LYS 0.043 0.043 12 0 "[ . 1 . 2]"
1 32 GLY 0.006 0.006 14 0 "[ . 1 . 2]"
1 33 LYS 0.727 0.102 6 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 1.011 0.102 6 0 "[ . 1 . 2]"
1 36 VAL 2.074 0.250 9 0 "[ . 1 . 2]"
1 37 ARG 0.944 0.198 13 0 "[ . 1 . 2]"
1 38 LYS 0.230 0.140 1 0 "[ . 1 . 2]"
1 39 GLU 1.089 0.168 6 0 "[ . 1 . 2]"
1 40 GLY 1.089 0.168 6 0 "[ . 1 . 2]"
1 41 GLU 0.230 0.140 1 0 "[ . 1 . 2]"
1 42 ILE 0.468 0.128 20 0 "[ . 1 . 2]"
1 43 VAL 0.049 0.043 16 0 "[ . 1 . 2]"
1 44 LEU 2.754 0.250 9 0 "[ . 1 . 2]"
1 45 ALA 0.241 0.075 7 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 GLU 0.238 0.153 7 0 "[ . 1 . 2]"
1 53 GLU 0.238 0.153 7 0 "[ . 1 . 2]"
1 54 GLY 0.135 0.135 9 0 "[ . 1 . 2]"
1 55 ALA 0.323 0.135 9 0 "[ . 1 . 2]"
1 56 GLU 0.491 0.116 3 0 "[ . 1 . 2]"
1 57 ASP 0.303 0.116 3 0 "[ . 1 . 2]"
1 58 ASP 0.520 0.212 6 0 "[ . 1 . 2]"
1 59 GLY 0.536 0.212 6 0 "[ . 1 . 2]"
1 60 SER 0.016 0.016 15 0 "[ . 1 . 2]"
1 61 ASP 0.008 0.008 4 0 "[ . 1 . 2]"
1 62 GLU 0.843 0.154 7 0 "[ . 1 . 2]"
1 63 HIS 0.146 0.082 3 0 "[ . 1 . 2]"
1 64 VAL 3.507 0.306 20 0 "[ . 1 . 2]"
1 65 GLU 0.895 0.177 18 0 "[ . 1 . 2]"
1 66 ARG 3.596 0.306 20 0 "[ . 1 . 2]"
1 67 GLY 0.641 0.135 20 0 "[ . 1 . 2]"
1 68 ILE 0.549 0.098 2 0 "[ . 1 . 2]"
1 69 ASP 0.141 0.076 2 0 "[ . 1 . 2]"
1 70 ILE 1.147 0.117 11 0 "[ . 1 . 2]"
1 71 VAL 1.511 0.116 5 0 "[ . 1 . 2]"
1 72 LEU 2.045 0.190 11 0 "[ . 1 . 2]"
1 73 ASN 0.326 0.168 7 0 "[ . 1 . 2]"
1 74 HIS 0.393 0.118 2 0 "[ . 1 . 2]"
1 75 LYS 0.798 0.104 7 0 "[ . 1 . 2]"
1 76 LEU 1.130 0.136 9 0 "[ . 1 . 2]"
1 77 VAL 0.833 0.137 10 0 "[ . 1 . 2]"
1 78 GLU 1.023 0.116 5 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASN 0.860 0.269 4 0 "[ . 1 . 2]"
1 81 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 TYR 0.358 0.135 2 0 "[ . 1 . 2]"
1 83 GLU 0.058 0.058 2 0 "[ . 1 . 2]"
1 84 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ILE 0.779 0.130 15 0 "[ . 1 . 2]"
1 93 LYS 0.025 0.025 8 0 "[ . 1 . 2]"
1 94 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 PHE 0.939 0.119 13 0 "[ . 1 . 2]"
1 96 MET 0.474 0.130 15 0 "[ . 1 . 2]"
1 97 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 98 ASN 0.825 0.119 13 0 "[ . 1 . 2]"
1 99 VAL 0.476 0.076 20 0 "[ . 1 . 2]"
1 100 ILE 1.144 0.124 7 0 "[ . 1 . 2]"
1 101 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.264 0.177 13 0 "[ . 1 . 2]"
1 104 GLU 0.163 0.152 16 0 "[ . 1 . 2]"
1 105 LYS 0.638 0.177 13 0 "[ . 1 . 2]"
1 106 ASN 0.851 0.153 2 0 "[ . 1 . 2]"
1 107 ASN 0.349 0.153 2 0 "[ . 1 . 2]"
1 108 ARG 0.357 0.152 16 0 "[ . 1 . 2]"
1 109 ASP 0.641 0.120 7 0 "[ . 1 . 2]"
1 110 LYS 0.068 0.046 8 0 "[ . 1 . 2]"
1 111 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 112 ASP 1.045 0.104 10 0 "[ . 1 . 2]"
1 113 VAL 2.885 0.124 7 0 "[ . 1 . 2]"
1 114 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 115 ALA 0.060 0.060 13 0 "[ . 1 . 2]"
1 116 PHE 0.694 0.131 12 0 "[ . 1 . 2]"
1 117 LYS 0.454 0.066 10 0 "[ . 1 . 2]"
1 118 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 LYS 0.003 0.003 3 0 "[ . 1 . 2]"
1 120 ILE 1.071 0.174 11 0 "[ . 1 . 2]"
1 121 GLN 0.491 0.137 10 0 "[ . 1 . 2]"
1 122 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 123 TRP 0.875 0.086 3 0 "[ . 1 . 2]"
1 124 VAL 2.503 0.121 13 0 "[ . 1 . 2]"
1 125 VAL 0.506 0.137 10 0 "[ . 1 . 2]"
1 126 SER 0.051 0.048 7 0 "[ . 1 . 2]"
1 127 LEU 1.703 0.128 4 0 "[ . 1 . 2]"
1 128 LEU 3.094 0.121 13 0 "[ . 1 . 2]"
1 129 ALA 0.076 0.048 7 0 "[ . 1 . 2]"
1 130 LYS 0.031 0.018 20 0 "[ . 1 . 2]"
1 131 ASP 0.918 0.207 3 0 "[ . 1 . 2]"
1 132 ARG 0.263 0.080 7 0 "[ . 1 . 2]"
1 133 PHE 1.383 0.128 4 0 "[ . 1 . 2]"
1 134 LYS 0.918 0.207 3 0 "[ . 1 . 2]"
1 135 ASN 0.660 0.151 12 0 "[ . 1 . 2]"
1 136 LEU 1.805 0.151 12 0 "[ . 1 . 2]"
1 137 ALA 0.269 0.079 13 0 "[ . 1 . 2]"
1 138 PHE 0.778 0.128 20 0 "[ . 1 . 2]"
1 139 PHE 1.857 0.137 7 0 "[ . 1 . 2]"
1 140 ILE 0.953 0.137 10 0 "[ . 1 . 2]"
1 141 GLY 0.103 0.068 9 0 "[ . 1 . 2]"
1 142 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 143 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 144 ALA 0.335 0.093 3 0 "[ . 1 . 2]"
1 145 ALA 0.204 0.057 8 0 "[ . 1 . 2]"
1 146 GLU 0.308 0.094 10 0 "[ . 1 . 2]"
1 147 GLY 0.066 0.038 4 0 "[ . 1 . 2]"
1 148 ALA 0.234 0.058 19 0 "[ . 1 . 2]"
1 149 GLU 0.393 0.114 5 0 "[ . 1 . 2]"
1 150 ASN 0.430 0.255 17 0 "[ . 1 . 2]"
1 151 GLY 0.823 0.255 17 0 "[ . 1 . 2]"
1 152 GLN 0.934 0.153 14 0 "[ . 1 . 2]"
1 153 VAL 1.847 0.137 7 0 "[ . 1 . 2]"
1 154 ALA 0.084 0.084 11 0 "[ . 1 . 2]"
1 155 ILE 0.559 0.081 14 0 "[ . 1 . 2]"
1 156 ILE 1.036 0.137 8 0 "[ . 1 . 2]"
1 157 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 158 TYR 0.117 0.117 9 0 "[ . 1 . 2]"
1 159 ARG 0.061 0.052 16 0 "[ . 1 . 2]"
1 160 ASP 1.232 0.329 10 0 "[ . 1 . 2]"
1 161 VAL 0.850 0.138 9 0 "[ . 1 . 2]"
1 162 ASP 0.333 0.155 3 0 "[ . 1 . 2]"
1 163 GLY 0.664 0.155 3 0 "[ . 1 . 2]"
1 164 THR 0.424 0.096 19 0 "[ . 1 . 2]"
1 165 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 166 VAL 1.503 0.329 10 0 "[ . 1 . 2]"
1 168 THR 0.052 0.052 16 0 "[ . 1 . 2]"
1 169 LEU 1.114 0.137 8 0 "[ . 1 . 2]"
1 170 MET 0.497 0.112 5 0 "[ . 1 . 2]"
1 171 LEU 1.471 0.231 20 0 "[ . 1 . 2]"
1 172 VAL 1.382 0.108 7 0 "[ . 1 . 2]"
1 173 LYS 0.553 0.120 9 0 "[ . 1 . 2]"
1 174 GLU 0.883 0.131 12 0 "[ . 1 . 2]"
1 175 ALA 0.117 0.100 20 0 "[ . 1 . 2]"
1 176 ILE 0.834 0.153 14 0 "[ . 1 . 2]"
1 177 ILE 0.152 0.152 11 0 "[ . 1 . 2]"
1 178 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 179 GLU 0.789 0.122 18 0 "[ . 1 . 2]"
1 180 LYS 0.271 0.085 18 0 "[ . 1 . 2]"
1 181 CYS 0.012 0.012 6 0 "[ . 1 . 2]"
1 182 LEU 0.816 0.165 14 0 "[ . 1 . 2]"
1 183 GLU 0.578 0.165 14 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 3 ILE H 1 179 GLU H 3.310 . 3.640 3.275 2.560 3.729 0.089 3 0 "[ . 1 . 2]" 1
2 1 178 GLU H 1 179 GLU H 4.530 . 4.980 4.331 3.959 4.642 . 0 0 "[ . 1 . 2]" 1
3 1 179 GLU H 1 180 LYS H 4.660 . 5.130 4.214 3.778 4.485 . 0 0 "[ . 1 . 2]" 1
4 1 28 TYR H 1 28 TYR QD 4.060 . 4.470 3.975 3.116 4.281 . 0 0 "[ . 1 . 2]" 1
5 1 28 TYR H 1 172 VAL MG2 5.580 . 6.140 4.790 4.253 5.187 . 0 0 "[ . 1 . 2]" 1
6 1 27 VAL MG1 1 28 TYR H 3.420 . 3.760 2.752 2.398 2.946 . 0 0 "[ . 1 . 2]" 1
7 1 22 LEU MD1 1 28 TYR H 4.180 . 4.600 3.584 3.259 3.893 . 0 0 "[ . 1 . 2]" 1
8 1 28 TYR H 1 171 LEU H 3.830 . 4.210 3.448 3.115 3.816 . 0 0 "[ . 1 . 2]" 1
9 1 170 MET H 1 171 LEU H 4.610 . 5.070 4.248 4.110 4.361 . 0 0 "[ . 1 . 2]" 1
10 1 139 PHE H 1 154 ALA H 3.860 . 4.250 3.558 3.058 3.821 . 0 0 "[ . 1 . 2]" 1
11 1 139 PHE H 1 153 VAL MG1 3.760 . 4.140 2.391 1.941 2.759 . 0 0 "[ . 1 . 2]" 1
12 1 71 VAL MG2 1 139 PHE H 5.720 . 6.290 5.481 5.070 5.945 . 0 0 "[ . 1 . 2]" 1
13 1 139 PHE H 1 139 PHE QD 3.930 . 4.320 3.249 2.955 3.499 . 0 0 "[ . 1 . 2]" 1
14 1 154 ALA H 1 155 ILE H 4.560 . 5.020 4.394 4.273 4.501 . 0 0 "[ . 1 . 2]" 1
15 1 138 PHE QD 1 154 ALA H 5.830 . 6.410 5.881 5.213 6.494 0.084 11 0 "[ . 1 . 2]" 1
16 1 139 PHE HB3 1 154 ALA H 5.050 . 5.560 4.872 4.400 5.317 . 0 0 "[ . 1 . 2]" 1
17 1 139 PHE HB2 1 154 ALA H 4.780 . 5.260 4.180 3.482 4.730 . 0 0 "[ . 1 . 2]" 1
18 1 154 ALA H 1 171 LEU MD2 4.130 . 4.540 3.774 3.438 4.262 . 0 0 "[ . 1 . 2]" 1
19 1 153 VAL MG1 1 154 ALA H 3.500 . 3.850 2.885 2.398 3.481 . 0 0 "[ . 1 . 2]" 1
20 1 35 VAL H 1 69 ASP H 3.990 . 4.390 3.789 3.288 4.466 0.076 2 0 "[ . 1 . 2]" 1
21 1 69 ASP H 1 71 VAL H 4.940 . 5.430 4.543 4.407 4.737 . 0 0 "[ . 1 . 2]" 1
22 1 35 VAL MG2 1 69 ASP H 3.220 . 3.540 2.553 2.033 2.900 . 0 0 "[ . 1 . 2]" 1
23 1 69 ASP H 1 72 LEU MD1 4.030 . 4.430 3.925 3.468 4.337 . 0 0 "[ . 1 . 2]" 1
24 1 35 VAL H 1 67 GLY H 3.800 . 4.180 3.668 2.981 4.108 . 0 0 "[ . 1 . 2]" 1
25 1 35 VAL H 1 35 VAL MG1 3.320 . 3.650 3.309 3.071 3.471 . 0 0 "[ . 1 . 2]" 1
26 1 35 VAL H 1 35 VAL MG2 2.900 . 3.190 2.435 2.300 2.543 . 0 0 "[ . 1 . 2]" 1
27 1 35 VAL H 1 72 LEU MD1 3.690 . 4.060 3.546 3.144 3.995 . 0 0 "[ . 1 . 2]" 1
28 1 28 TYR H 1 173 LYS H 4.570 . 5.030 3.371 2.698 3.909 . 0 0 "[ . 1 . 2]" 1
29 1 173 LYS H 1 174 GLU H 4.000 . 4.400 2.783 2.578 3.115 . 0 0 "[ . 1 . 2]" 1
30 1 172 VAL MG1 1 173 LYS H 4.230 . 4.650 3.824 3.489 4.011 . 0 0 "[ . 1 . 2]" 1
31 1 172 VAL MG2 1 173 LYS H 3.760 . 4.140 2.415 2.187 2.647 . 0 0 "[ . 1 . 2]" 1
32 1 27 VAL MG2 1 173 LYS H 4.310 . 4.740 4.273 3.803 4.630 . 0 0 "[ . 1 . 2]" 1
33 1 173 LYS H 1 175 ALA H 4.600 . 5.060 4.345 4.179 4.581 . 0 0 "[ . 1 . 2]" 1
34 1 116 PHE QE 1 173 LYS H 5.280 . 5.810 4.550 3.768 5.105 . 0 0 "[ . 1 . 2]" 1
35 1 30 PHE H 1 169 LEU H 3.800 . 4.180 3.175 2.677 3.917 . 0 0 "[ . 1 . 2]" 1
36 1 30 PHE QD 1 169 LEU H 4.660 . 5.130 4.034 3.148 4.855 . 0 0 "[ . 1 . 2]" 1
37 1 70 ILE MD 1 169 LEU H 3.860 . 4.250 2.665 2.187 3.673 . 0 0 "[ . 1 . 2]" 1
38 1 158 TYR H 1 158 TYR HB2 3.930 . 4.320 3.308 2.351 3.861 . 0 0 "[ . 1 . 2]" 1
39 1 158 TYR H 1 158 TYR HB3 3.930 . 4.320 3.207 2.518 3.643 . 0 0 "[ . 1 . 2]" 1
40 1 158 TYR H 1 158 TYR QD 3.410 . 3.750 2.486 1.683 2.854 0.117 9 0 "[ . 1 . 2]" 1
41 1 158 TYR H 1 158 TYR QE 4.530 . 4.980 4.178 3.847 4.680 . 0 0 "[ . 1 . 2]" 1
42 1 158 TYR H 1 159 ARG H 4.680 . 5.150 4.270 3.770 4.508 . 0 0 "[ . 1 . 2]" 1
43 1 82 TYR H 1 82 TYR QD 3.960 . 4.360 2.624 2.300 3.171 . 0 0 "[ . 1 . 2]" 1
44 1 82 TYR H 1 82 TYR QE 4.280 . 4.710 4.266 4.007 4.600 . 0 0 "[ . 1 . 2]" 1
45 1 114 ASP H 1 116 PHE H 4.240 . 4.660 4.100 3.778 4.328 . 0 0 "[ . 1 . 2]" 1
46 1 116 PHE H 1 116 PHE QD 4.250 . 4.680 4.226 4.144 4.290 . 0 0 "[ . 1 . 2]" 1
47 1 116 PHE H 1 116 PHE HB2 3.970 . 4.370 2.667 2.566 2.800 . 0 0 "[ . 1 . 2]" 1
48 1 116 PHE H 1 116 PHE HB3 4.050 . 4.460 2.421 2.260 2.568 . 0 0 "[ . 1 . 2]" 1
49 1 138 PHE H 1 138 PHE QD 3.840 . 4.220 3.079 2.285 3.446 . 0 0 "[ . 1 . 2]" 1
50 1 80 ASN H 1 80 ASN HD22 4.730 . 5.200 4.155 3.269 5.469 0.269 4 0 "[ . 1 . 2]" 1
51 1 138 PHE H 1 139 PHE QD 5.010 . 5.510 4.511 3.882 4.706 . 0 0 "[ . 1 . 2]" 1
52 1 138 PHE H 1 153 VAL MG1 4.550 . 5.010 4.800 4.481 5.045 0.035 7 0 "[ . 1 . 2]" 1
53 1 30 PHE H 1 30 PHE QD 4.390 . 4.830 4.295 4.085 4.459 . 0 0 "[ . 1 . 2]" 1
54 1 30 PHE H 1 169 LEU MD2 4.340 . 4.770 4.240 3.699 4.780 0.010 19 0 "[ . 1 . 2]" 1
55 1 30 PHE H 1 70 ILE MD 4.320 . 4.750 4.572 4.208 4.848 0.098 10 0 "[ . 1 . 2]" 1
56 1 8 PHE H 1 9 THR H 4.420 . 4.860 2.245 1.874 2.716 . 0 0 "[ . 1 . 2]" 1
57 1 8 PHE H 1 8 PHE QD 3.910 . 4.300 3.038 1.993 3.715 . 0 0 "[ . 1 . 2]" 1
58 1 8 PHE H 1 8 PHE QE 5.240 . 5.760 4.821 4.253 5.252 . 0 0 "[ . 1 . 2]" 1
59 1 123 TRP HE1 1 127 LEU MD2 3.500 . 3.850 2.796 1.827 3.927 0.077 5 0 "[ . 1 . 2]" 1
60 1 27 VAL MG2 1 123 TRP HE1 3.240 . 3.560 2.982 2.356 3.588 0.028 4 0 "[ . 1 . 2]" 1
61 1 123 TRP HE1 1 127 LEU MD1 3.700 . 4.070 3.336 2.769 4.080 0.010 17 0 "[ . 1 . 2]" 1
62 1 27 VAL MG1 1 123 TRP HE1 3.240 . 3.560 3.346 2.837 3.617 0.057 3 0 "[ . 1 . 2]" 1
63 1 79 MET H 1 140 ILE H 5.490 . 6.040 5.204 4.770 5.534 . 0 0 "[ . 1 . 2]" 1
64 1 79 MET H 1 138 PHE H 3.850 . 4.230 3.687 3.333 4.003 . 0 0 "[ . 1 . 2]" 1
65 1 79 MET H 1 139 PHE QD 4.460 . 4.910 4.334 4.110 4.594 . 0 0 "[ . 1 . 2]" 1
66 1 137 ALA H 1 156 ILE H 3.270 . 3.600 3.443 2.924 3.679 0.079 13 0 "[ . 1 . 2]" 1
67 1 142 GLU H 1 144 ALA H 4.400 . 4.840 4.274 3.698 4.654 . 0 0 "[ . 1 . 2]" 1
68 1 123 TRP H 1 124 VAL H 3.280 . 3.610 2.706 2.572 2.784 . 0 0 "[ . 1 . 2]" 1
69 1 123 TRP H 1 125 VAL H 4.150 . 4.570 4.233 3.810 4.403 . 0 0 "[ . 1 . 2]" 1
70 1 123 TRP H 1 124 VAL MG1 4.530 . 4.980 4.431 4.268 4.613 . 0 0 "[ . 1 . 2]" 1
71 1 26 LEU MD2 1 123 TRP H 4.180 . 4.600 3.722 3.281 4.544 . 0 0 "[ . 1 . 2]" 1
72 1 124 VAL H 1 125 VAL H 3.530 . 3.880 2.706 2.506 2.821 . 0 0 "[ . 1 . 2]" 1
73 1 124 VAL H 1 126 SER H 3.930 . 4.320 4.161 3.956 4.323 0.003 13 0 "[ . 1 . 2]" 1
74 1 124 VAL H 1 124 VAL MG1 3.370 . 3.710 2.423 2.312 2.483 . 0 0 "[ . 1 . 2]" 1
75 1 4 TYR H 1 14 SER H 4.400 . 4.500 3.789 3.347 4.362 . 0 0 "[ . 1 . 2]" 1
76 1 4 TYR QD 1 14 SER H 4.280 . 4.710 4.351 3.545 4.845 0.135 2 0 "[ . 1 . 2]" 1
77 1 13 LEU MD1 1 14 SER H 4.420 . 4.860 3.514 2.354 4.336 . 0 0 "[ . 1 . 2]" 1
78 1 13 LEU MD2 1 14 SER H 4.420 . 4.860 3.959 3.004 4.457 . 0 0 "[ . 1 . 2]" 1
79 1 13 LEU H 1 14 SER H 3.620 . 3.980 3.674 3.017 4.242 0.262 18 0 "[ . 1 . 2]" 1
80 1 13 LEU H 1 13 LEU MD1 4.410 . 4.850 4.173 3.793 4.741 . 0 0 "[ . 1 . 2]" 1
81 1 13 LEU H 1 13 LEU MD2 4.410 . 4.850 3.924 2.857 4.755 . 0 0 "[ . 1 . 2]" 1
82 1 12 GLU H 1 13 LEU H 4.660 . 5.130 2.478 1.784 3.002 0.016 16 0 "[ . 1 . 2]" 1
83 1 4 TYR H 1 4 TYR QD 4.260 . 4.690 3.005 2.281 4.397 . 0 0 "[ . 1 . 2]" 1
84 1 122 GLY H 1 123 TRP H 3.070 . 3.380 2.713 2.635 2.796 . 0 0 "[ . 1 . 2]" 1
85 1 120 ILE H 1 122 GLY H 4.410 . 4.850 4.042 3.754 4.390 . 0 0 "[ . 1 . 2]" 1
86 1 26 LEU MD2 1 122 GLY H 5.360 . 5.900 5.144 4.770 5.865 . 0 0 "[ . 1 . 2]" 1
87 1 77 VAL MG1 1 141 GLY H 4.820 . 5.300 4.621 4.249 4.990 . 0 0 "[ . 1 . 2]" 1
88 1 76 LEU MD2 1 141 GLY H 3.250 . 3.580 3.294 2.528 3.648 0.068 9 0 "[ . 1 . 2]" 1
89 1 162 ASP H 1 163 GLY H 3.330 . 3.660 2.906 2.602 3.815 0.155 3 0 "[ . 1 . 2]" 1
90 1 161 VAL H 1 163 GLY H 3.850 . 4.230 3.756 3.172 4.368 0.138 9 0 "[ . 1 . 2]" 1
91 1 163 GLY H 1 164 THR H 3.020 . 3.320 2.365 1.773 2.676 0.027 20 0 "[ . 1 . 2]" 1
92 1 161 VAL MG1 1 163 GLY H 4.450 . 4.890 4.455 3.763 4.938 0.048 10 0 "[ . 1 . 2]" 1
93 1 39 GLU H 1 40 GLY H 3.540 . 3.890 3.414 2.652 4.058 0.168 6 0 "[ . 1 . 2]" 1
94 1 44 LEU MD1 1 46 GLY H 5.200 . 5.720 4.558 3.000 5.389 . 0 0 "[ . 1 . 2]" 1
95 1 9 THR H 1 11 ASP H 4.860 . 5.350 4.585 3.520 5.317 . 0 0 "[ . 1 . 2]" 1
96 1 8 PHE QD 1 9 THR H 4.550 . 5.010 4.035 3.596 4.525 . 0 0 "[ . 1 . 2]" 1
97 1 66 ARG H 1 67 GLY H 4.670 . 5.140 4.462 3.922 4.635 . 0 0 "[ . 1 . 2]" 1
98 1 36 VAL MG1 1 67 GLY H 3.740 . 4.110 3.317 1.996 4.245 0.135 20 0 "[ . 1 . 2]" 1
99 1 67 GLY H 1 72 LEU MD1 3.190 . 3.510 2.669 2.425 3.216 . 0 0 "[ . 1 . 2]" 1
100 1 58 ASP H 1 59 GLY H 3.740 . 4.110 3.180 2.109 4.322 0.212 6 0 "[ . 1 . 2]" 1
101 1 150 ASN H 1 151 GLY H 3.000 . 3.300 2.731 2.082 3.555 0.255 17 0 "[ . 1 . 2]" 1
102 1 127 LEU H 1 128 LEU H 3.250 . 3.580 2.480 2.360 2.630 . 0 0 "[ . 1 . 2]" 1
103 1 124 VAL MG2 1 128 LEU H 4.960 . 5.460 5.077 4.869 5.244 . 0 0 "[ . 1 . 2]" 1
104 1 128 LEU H 1 128 LEU MD1 4.050 . 4.460 3.913 3.768 4.062 . 0 0 "[ . 1 . 2]" 1
105 1 127 LEU MD2 1 128 LEU H 4.260 . 4.690 4.667 4.361 4.807 0.117 4 0 "[ . 1 . 2]" 1
106 1 127 LEU MD1 1 128 LEU H 4.910 . 5.400 4.754 4.603 4.866 . 0 0 "[ . 1 . 2]" 1
107 1 54 GLY H 1 55 ALA H 3.680 . 4.050 2.955 2.067 4.185 0.135 9 0 "[ . 1 . 2]" 1
108 1 15 SER H 1 18 PHE QD 4.820 . 5.300 4.621 1.748 5.468 0.168 10 0 "[ . 1 . 2]" 1
109 1 15 SER H 1 18 PHE QE 4.900 . 5.390 3.612 1.761 5.127 0.039 16 0 "[ . 1 . 2]" 1
110 1 134 LYS H 1 135 ASN H 3.460 . 3.810 2.854 2.604 3.124 . 0 0 "[ . 1 . 2]" 1
111 1 133 PHE H 1 134 LYS H 3.670 . 4.040 2.656 2.443 2.806 . 0 0 "[ . 1 . 2]" 1
112 1 134 LYS H 1 136 LEU H 4.530 . 4.980 4.389 3.739 4.686 . 0 0 "[ . 1 . 2]" 1
113 1 133 PHE HB3 1 134 LYS H 4.270 . 4.700 4.128 3.689 4.282 . 0 0 "[ . 1 . 2]" 1
114 1 133 PHE HB2 1 134 LYS H 3.900 . 4.290 3.559 3.174 3.799 . 0 0 "[ . 1 . 2]" 1
115 1 72 LEU H 1 74 HIS H 4.320 . 4.750 4.245 3.860 4.770 0.020 9 0 "[ . 1 . 2]" 1
116 1 74 HIS H 1 76 LEU MD1 4.300 . 4.730 4.558 4.232 4.848 0.118 2 0 "[ . 1 . 2]" 1
117 1 71 VAL MG2 1 74 HIS H 5.390 . 5.930 5.452 4.932 5.799 . 0 0 "[ . 1 . 2]" 1
118 1 71 VAL MG1 1 74 HIS H 4.620 . 5.080 4.891 4.609 5.132 0.052 6 0 "[ . 1 . 2]" 1
119 1 74 HIS H 1 76 LEU MD2 5.320 . 5.850 4.841 3.993 5.499 . 0 0 "[ . 1 . 2]" 1
120 1 91 TYR H 1 91 TYR QD 4.080 . 4.490 3.088 2.721 3.349 . 0 0 "[ . 1 . 2]" 1
121 1 80 ASN H 1 81 CYS H 4.620 . 5.080 4.445 4.134 4.602 . 0 0 "[ . 1 . 2]" 1
122 1 17 SER H 1 18 PHE H 3.720 . 4.090 3.477 2.489 4.155 0.065 9 0 "[ . 1 . 2]" 1
123 1 18 PHE H 1 18 PHE QD 4.030 . 4.430 3.054 2.376 3.628 . 0 0 "[ . 1 . 2]" 1
124 1 88 PHE H 1 89 LYS H 4.000 . 4.400 2.650 2.391 2.862 . 0 0 "[ . 1 . 2]" 1
125 1 88 PHE H 1 90 ALA H 4.370 . 4.810 4.015 3.759 4.183 . 0 0 "[ . 1 . 2]" 1
126 1 88 PHE H 1 88 PHE QD 4.190 . 4.610 4.215 4.086 4.280 . 0 0 "[ . 1 . 2]" 1
127 1 133 PHE H 1 133 PHE QD 3.930 . 4.320 2.440 2.148 2.838 . 0 0 "[ . 1 . 2]" 1
128 1 132 ARG H 1 133 PHE H 3.420 . 3.760 2.128 1.928 2.670 . 0 0 "[ . 1 . 2]" 1
129 1 132 ARG H 1 134 LYS H 3.790 . 4.170 3.771 3.498 4.029 . 0 0 "[ . 1 . 2]" 1
130 1 132 ARG H 1 133 PHE QD 3.860 . 4.250 3.516 2.910 4.322 0.072 4 0 "[ . 1 . 2]" 1
131 1 132 ARG H 1 133 PHE HB2 4.270 . 4.700 4.154 3.942 4.574 . 0 0 "[ . 1 . 2]" 1
132 1 116 PHE H 1 118 LYS H 4.370 . 4.810 4.165 3.885 4.402 . 0 0 "[ . 1 . 2]" 1
133 1 115 ALA H 1 116 PHE H 3.560 . 3.920 2.585 2.375 2.735 . 0 0 "[ . 1 . 2]" 1
134 1 135 ASN H 1 136 LEU MD1 4.920 . 5.410 5.072 4.672 5.282 . 0 0 "[ . 1 . 2]" 1
135 1 23 VAL H 1 26 LEU H 3.840 . 4.220 4.137 3.536 4.291 0.071 3 0 "[ . 1 . 2]" 1
136 1 23 VAL H 1 23 VAL MG1 2.990 . 3.290 2.156 2.000 2.427 . 0 0 "[ . 1 . 2]" 1
137 1 23 VAL H 1 23 VAL MG2 3.850 . 4.230 3.928 3.869 4.041 . 0 0 "[ . 1 . 2]" 1
138 1 22 LEU MD1 1 23 VAL H 3.210 . 3.530 2.628 2.235 3.006 . 0 0 "[ . 1 . 2]" 1
139 1 161 VAL MG1 1 166 VAL H 4.010 . 4.410 3.730 3.017 4.150 . 0 0 "[ . 1 . 2]" 1
140 1 24 ASP H 1 26 LEU H 4.640 . 5.100 4.542 4.357 5.022 . 0 0 "[ . 1 . 2]" 1
141 1 24 ASP H 1 27 VAL H 5.450 . 6.000 5.303 5.111 5.533 . 0 0 "[ . 1 . 2]" 1
142 1 23 VAL MG2 1 24 ASP H 3.130 . 3.440 2.598 2.387 2.794 . 0 0 "[ . 1 . 2]" 1
143 1 23 VAL MG1 1 24 ASP H 4.290 . 4.720 3.968 3.816 4.127 . 0 0 "[ . 1 . 2]" 1
144 1 78 GLU H 1 139 PHE QE 4.110 . 4.520 3.446 3.103 3.646 . 0 0 "[ . 1 . 2]" 1
145 1 78 GLU H 1 139 PHE QD 4.000 . 4.400 3.457 3.239 3.709 . 0 0 "[ . 1 . 2]" 1
146 1 78 GLU H 1 139 PHE HZ 5.110 . 5.620 5.562 5.172 5.694 0.074 11 0 "[ . 1 . 2]" 1
147 1 77 VAL MG2 1 78 GLU H 2.850 . 3.130 2.634 2.491 2.880 . 0 0 "[ . 1 . 2]" 1
148 1 71 VAL MG1 1 78 GLU H 4.120 . 4.530 4.484 4.267 4.646 0.116 5 0 "[ . 1 . 2]" 1
149 1 71 VAL MG2 1 78 GLU H 5.600 . 6.160 5.822 5.465 6.175 0.015 16 0 "[ . 1 . 2]" 1
150 1 77 VAL H 1 78 GLU H 4.440 . 4.880 4.480 4.376 4.534 . 0 0 "[ . 1 . 2]" 1
151 1 78 GLU H 1 140 ILE H 5.280 . 5.810 5.308 5.084 5.477 . 0 0 "[ . 1 . 2]" 1
152 1 83 GLU H 1 85 ALA H 4.570 . 5.030 4.084 3.810 4.478 . 0 0 "[ . 1 . 2]" 1
153 1 2 LEU H 1 2 LEU MD2 3.940 . 4.330 3.574 3.082 3.969 . 0 0 "[ . 1 . 2]" 1
154 1 161 VAL H 1 166 VAL H 4.340 . 4.500 3.972 3.514 4.453 . 0 0 "[ . 1 . 2]" 1
155 1 161 VAL H 1 161 VAL MG1 2.900 . 3.190 2.143 1.918 2.351 . 0 0 "[ . 1 . 2]" 1
156 1 155 ILE H 1 156 ILE H 4.450 . 4.890 4.353 4.224 4.482 . 0 0 "[ . 1 . 2]" 1
157 1 139 PHE QD 1 156 ILE H 4.270 . 4.700 3.724 3.306 4.223 . 0 0 "[ . 1 . 2]" 1
158 1 153 VAL MG1 1 156 ILE H 4.930 . 5.420 4.658 4.121 5.149 . 0 0 "[ . 1 . 2]" 1
159 1 2 LEU MD1 1 179 GLU H 4.900 . 5.390 5.188 4.219 5.512 0.122 18 0 "[ . 1 . 2]" 1
160 1 44 LEU H 1 44 LEU MD1 2.620 . 2.880 2.774 1.778 3.038 0.158 2 0 "[ . 1 . 2]" 1
161 1 2 LEU MD2 1 180 LYS H 4.220 . 4.640 4.006 3.606 4.388 . 0 0 "[ . 1 . 2]" 1
162 1 162 ASP H 1 164 THR H 4.390 . 4.830 4.287 4.023 4.672 . 0 0 "[ . 1 . 2]" 1
163 1 161 VAL MG2 1 162 ASP H 3.280 . 3.610 3.279 2.868 3.607 . 0 0 "[ . 1 . 2]" 1
164 1 8 PHE QD 1 152 GLN H 4.520 . 4.970 3.066 1.991 5.014 0.044 19 0 "[ . 1 . 2]" 1
165 1 8 PHE QE 1 152 GLN H 5.840 . 6.420 4.420 2.748 6.464 0.044 11 0 "[ . 1 . 2]" 1
166 1 165 GLU H 1 166 VAL H 4.590 . 5.050 4.432 4.210 4.613 . 0 0 "[ . 1 . 2]" 1
167 1 110 LYS H 1 113 VAL H 5.200 . 5.720 4.501 3.180 5.194 . 0 0 "[ . 1 . 2]" 1
168 1 110 LYS H 1 113 VAL MG2 3.830 . 4.210 3.572 2.397 4.256 0.046 8 0 "[ . 1 . 2]" 1
169 1 157 GLU H 1 170 MET H 4.780 . 5.260 4.300 3.410 4.943 . 0 0 "[ . 1 . 2]" 1
170 1 157 GLU H 1 168 THR H 3.640 . 4.000 3.120 2.501 3.936 . 0 0 "[ . 1 . 2]" 1
171 1 155 ILE H 1 170 MET H 3.580 . 3.940 3.436 3.133 3.905 . 0 0 "[ . 1 . 2]" 1
172 1 170 MET H 1 171 LEU MD2 4.790 . 5.270 4.527 3.913 5.171 . 0 0 "[ . 1 . 2]" 1
173 1 169 LEU MD1 1 170 MET H 2.950 . 3.250 2.286 1.863 2.728 . 0 0 "[ . 1 . 2]" 1
174 1 22 LEU H 1 28 TYR QD 4.730 . 5.200 4.834 3.775 5.336 0.136 18 0 "[ . 1 . 2]" 1
175 1 22 LEU H 1 22 LEU MD1 4.310 . 4.740 4.387 4.262 4.465 . 0 0 "[ . 1 . 2]" 1
176 1 136 LEU MD2 1 137 ALA H 3.680 . 4.050 3.366 3.004 3.527 . 0 0 "[ . 1 . 2]" 1
177 1 136 LEU MD1 1 137 ALA H 4.640 . 5.100 4.793 4.605 5.090 . 0 0 "[ . 1 . 2]" 1
178 1 91 TYR QD 1 153 VAL H 5.690 . 6.260 5.167 3.849 6.210 . 0 0 "[ . 1 . 2]" 1
179 1 92 ILE MD 1 153 VAL H 5.020 . 5.520 5.008 4.287 5.567 0.047 3 0 "[ . 1 . 2]" 1
180 1 153 VAL H 1 153 VAL MG1 4.260 . 4.690 3.812 3.750 3.879 . 0 0 "[ . 1 . 2]" 1
181 1 152 GLN HE21 1 172 VAL H 4.740 . 5.210 4.127 2.110 5.282 0.072 17 0 "[ . 1 . 2]" 1
182 1 172 VAL H 1 172 VAL MG1 4.300 . 4.730 2.077 1.819 2.356 . 0 0 "[ . 1 . 2]" 1
183 1 171 LEU MD2 1 172 VAL H 3.380 . 3.720 3.548 3.152 3.828 0.108 7 0 "[ . 1 . 2]" 1
184 1 27 VAL MG2 1 172 VAL H 4.810 . 5.290 4.845 4.085 5.302 0.012 4 0 "[ . 1 . 2]" 1
185 1 27 VAL MG1 1 172 VAL H 4.630 . 5.090 4.252 3.525 4.702 . 0 0 "[ . 1 . 2]" 1
186 1 158 TYR QD 1 159 ARG H 4.740 . 5.210 4.686 4.178 4.969 . 0 0 "[ . 1 . 2]" 1
187 1 159 ARG H 1 166 VAL H 3.480 . 3.830 3.102 2.489 3.839 0.009 2 0 "[ . 1 . 2]" 1
188 1 159 ARG H 1 160 ASP H 4.550 . 5.010 4.472 4.085 4.592 . 0 0 "[ . 1 . 2]" 1
189 1 158 TYR HB2 1 159 ARG H 4.570 . 5.030 3.923 3.155 4.564 . 0 0 "[ . 1 . 2]" 1
190 1 158 TYR HB3 1 159 ARG H 4.570 . 5.030 4.181 3.592 4.666 . 0 0 "[ . 1 . 2]" 1
191 1 64 VAL MG1 1 65 GLU H 3.340 . 3.670 3.391 2.102 3.847 0.177 18 0 "[ . 1 . 2]" 1
192 1 37 ARG H 1 72 LEU MD2 4.410 . 4.850 4.252 3.744 4.999 0.149 19 0 "[ . 1 . 2]" 1
193 1 37 ARG H 1 72 LEU MD1 4.120 . 4.530 3.083 2.471 3.795 . 0 0 "[ . 1 . 2]" 1
194 1 176 ILE MD 1 177 ILE H 3.950 . 4.350 3.167 1.996 4.502 0.152 11 0 "[ . 1 . 2]" 1
195 1 177 ILE H 1 177 ILE MD 4.150 . 4.570 3.719 3.507 3.966 . 0 0 "[ . 1 . 2]" 1
196 1 87 MET H 1 88 PHE H 3.620 . 3.980 2.596 2.499 2.708 . 0 0 "[ . 1 . 2]" 1
197 1 87 MET H 1 88 PHE HB2 5.270 . 5.800 5.070 4.877 5.215 . 0 0 "[ . 1 . 2]" 1
198 1 87 MET H 1 88 PHE HB3 5.270 . 5.800 4.701 4.389 4.992 . 0 0 "[ . 1 . 2]" 1
199 1 128 LEU H 1 129 ALA H 2.990 . 3.290 2.553 2.454 2.695 . 0 0 "[ . 1 . 2]" 1
200 1 128 LEU MD2 1 129 ALA H 4.570 . 5.030 4.644 4.511 4.759 . 0 0 "[ . 1 . 2]" 1
201 1 127 LEU MD2 1 129 ALA H 5.660 . 6.230 6.139 5.878 6.243 0.013 9 0 "[ . 1 . 2]" 1
202 1 127 LEU MD1 1 129 ALA H 5.330 . 5.860 5.149 4.886 5.426 . 0 0 "[ . 1 . 2]" 1
203 1 113 VAL H 1 115 ALA H 4.270 . 4.700 4.043 3.793 4.370 . 0 0 "[ . 1 . 2]" 1
204 1 113 VAL H 1 113 VAL MG1 3.530 . 3.880 2.357 2.131 2.630 . 0 0 "[ . 1 . 2]" 1
205 1 113 VAL H 1 113 VAL MG2 3.010 . 3.310 2.084 1.926 2.215 . 0 0 "[ . 1 . 2]" 1
206 1 159 ARG H 1 168 THR H 4.280 . 4.710 3.982 3.384 4.762 0.052 16 0 "[ . 1 . 2]" 1
207 1 130 LYS H 1 132 ARG H 4.640 . 5.100 4.754 4.040 5.118 0.018 20 0 "[ . 1 . 2]" 1
208 1 30 PHE H 1 31 LYS H 4.640 . 5.100 4.278 3.821 4.529 . 0 0 "[ . 1 . 2]" 1
209 1 181 CYS H 1 182 LEU MD2 4.040 . 4.440 3.811 2.738 4.452 0.012 6 0 "[ . 1 . 2]" 1
210 1 2 LEU MD2 1 181 CYS H 3.630 . 3.990 2.813 1.909 3.545 . 0 0 "[ . 1 . 2]" 1
211 1 176 ILE H 1 177 ILE H 5.030 . 5.530 4.370 4.057 4.475 . 0 0 "[ . 1 . 2]" 1
212 1 175 ALA H 1 176 ILE H 3.330 . 3.660 2.130 1.885 2.420 . 0 0 "[ . 1 . 2]" 1
213 1 172 VAL MG2 1 176 ILE H 4.930 . 5.420 4.895 4.529 5.441 0.021 17 0 "[ . 1 . 2]" 1
214 1 176 ILE H 1 176 ILE MD 4.520 . 4.970 4.074 3.617 4.616 . 0 0 "[ . 1 . 2]" 1
215 1 21 LYS H 1 28 TYR QD 4.210 . 4.630 3.594 2.437 4.513 . 0 0 "[ . 1 . 2]" 1
216 1 5 LYS H 1 177 ILE H 3.560 . 3.920 3.034 2.407 3.856 . 0 0 "[ . 1 . 2]" 1
217 1 5 LYS H 1 178 GLU H 5.430 . 5.970 5.019 4.700 5.257 . 0 0 "[ . 1 . 2]" 1
218 1 4 TYR QD 1 5 LYS H 4.750 . 5.220 4.354 3.285 4.874 . 0 0 "[ . 1 . 2]" 1
219 1 109 ASP H 1 110 LYS H 4.220 . 4.640 3.706 2.333 4.506 . 0 0 "[ . 1 . 2]" 1
220 1 109 ASP H 1 113 VAL H 4.660 . 5.130 4.758 3.840 5.183 0.053 20 0 "[ . 1 . 2]" 1
221 1 109 ASP H 1 112 ASP H 4.830 . 5.310 4.904 4.465 5.260 . 0 0 "[ . 1 . 2]" 1
222 1 109 ASP H 1 113 VAL MG2 3.870 . 4.260 4.203 3.708 4.380 0.120 7 0 "[ . 1 . 2]" 1
223 1 6 ASP H 1 13 LEU MD1 3.920 . 4.310 3.809 2.437 4.428 0.118 14 0 "[ . 1 . 2]" 1
224 1 6 ASP H 1 13 LEU MD2 3.920 . 4.310 3.637 2.385 4.391 0.081 8 0 "[ . 1 . 2]" 1
225 1 95 PHE QD 1 99 VAL H 4.820 . 5.300 5.153 4.658 5.376 0.076 20 0 "[ . 1 . 2]" 1
226 1 99 VAL H 1 99 VAL MG2 3.210 . 3.530 2.197 2.022 2.299 . 0 0 "[ . 1 . 2]" 1
227 1 99 VAL H 1 99 VAL MG1 3.570 . 3.930 2.219 2.065 2.466 . 0 0 "[ . 1 . 2]" 1
228 1 143 ARG H 1 144 ALA H 3.510 . 3.860 2.647 2.446 2.837 . 0 0 "[ . 1 . 2]" 1
229 1 104 GLU H 1 105 LYS H 3.230 . 3.550 2.643 2.450 2.977 . 0 0 "[ . 1 . 2]" 1
230 1 105 LYS H 1 106 ASN H 3.360 . 3.700 2.530 2.284 2.760 . 0 0 "[ . 1 . 2]" 1
231 1 34 HIS H 1 35 VAL H 4.470 . 4.920 4.472 4.358 4.579 . 0 0 "[ . 1 . 2]" 1
232 1 145 ALA H 1 148 ALA H 5.220 . 5.740 5.181 4.664 5.762 0.022 12 0 "[ . 1 . 2]" 1
233 1 145 ALA H 1 147 GLY H 4.320 . 4.750 4.374 3.900 4.778 0.028 14 0 "[ . 1 . 2]" 1
234 1 125 VAL H 1 127 LEU H 4.030 . 4.430 3.952 3.835 4.142 . 0 0 "[ . 1 . 2]" 1
235 1 124 VAL H 1 127 LEU H 4.540 . 4.990 4.553 4.421 4.658 . 0 0 "[ . 1 . 2]" 1
236 1 124 VAL MG2 1 127 LEU H 5.000 . 5.500 4.914 4.761 5.046 . 0 0 "[ . 1 . 2]" 1
237 1 127 LEU H 1 127 LEU MD1 4.330 . 4.760 4.161 4.005 4.261 . 0 0 "[ . 1 . 2]" 1
238 1 155 ILE H 1 171 LEU MD2 3.670 . 4.040 2.781 2.304 3.180 . 0 0 "[ . 1 . 2]" 1
239 1 155 ILE H 1 169 LEU MD1 3.110 . 3.420 2.723 2.424 3.173 . 0 0 "[ . 1 . 2]" 1
240 1 65 GLU H 1 66 ARG H 3.430 . 3.770 3.649 3.299 3.860 0.090 7 0 "[ . 1 . 2]" 1
241 1 37 ARG H 1 66 ARG H 4.060 . 4.470 4.349 3.777 4.668 0.198 13 0 "[ . 1 . 2]" 1
242 1 64 VAL MG1 1 66 ARG H 3.210 . 3.530 2.931 2.530 3.548 0.018 20 0 "[ . 1 . 2]" 1
243 1 66 ARG H 1 72 LEU MD2 4.030 . 4.430 3.935 3.096 4.620 0.190 11 0 "[ . 1 . 2]" 1
244 1 77 VAL H 1 139 PHE QD 4.300 . 4.730 3.893 3.568 4.357 . 0 0 "[ . 1 . 2]" 1
245 1 77 VAL H 1 139 PHE HB3 4.450 . 4.890 4.130 3.683 4.494 . 0 0 "[ . 1 . 2]" 1
246 1 77 VAL H 1 139 PHE HB2 5.840 . 6.420 5.858 5.414 6.227 . 0 0 "[ . 1 . 2]" 1
247 1 77 VAL H 1 77 VAL MG1 2.960 . 3.260 1.996 1.861 2.106 . 0 0 "[ . 1 . 2]" 1
248 1 76 LEU MD1 1 77 VAL H 4.680 . 5.150 5.010 4.655 5.234 0.084 20 0 "[ . 1 . 2]" 1
249 1 68 ILE H 1 69 ASP H 4.550 . 5.010 4.516 4.406 4.597 . 0 0 "[ . 1 . 2]" 1
250 1 67 GLY H 1 68 ILE H 4.420 . 4.860 4.255 4.172 4.390 . 0 0 "[ . 1 . 2]" 1
251 1 68 ILE H 1 71 VAL H 4.420 . 4.860 4.254 3.587 4.874 0.014 8 0 "[ . 1 . 2]" 1
252 1 68 ILE H 1 72 LEU MD2 3.480 . 3.830 3.610 3.031 3.893 0.063 2 0 "[ . 1 . 2]" 1
253 1 68 ILE H 1 72 LEU MD1 3.700 . 4.070 3.757 3.333 4.122 0.052 4 0 "[ . 1 . 2]" 1
254 1 26 LEU MD1 1 120 ILE H 3.540 . 3.890 3.293 2.829 3.659 . 0 0 "[ . 1 . 2]" 1
255 1 26 LEU MD2 1 120 ILE H 3.900 . 4.290 3.768 3.531 4.076 . 0 0 "[ . 1 . 2]" 1
256 1 114 ASP H 1 115 ALA H 3.220 . 3.540 2.601 2.421 2.870 . 0 0 "[ . 1 . 2]" 1
257 1 115 ALA H 1 117 LYS H 4.690 . 5.160 4.011 3.758 4.332 . 0 0 "[ . 1 . 2]" 1
258 1 115 ALA H 1 116 PHE HB3 4.800 . 5.280 4.585 4.314 4.859 . 0 0 "[ . 1 . 2]" 1
259 1 7 ILE H 1 176 ILE MD 4.840 . 5.320 4.139 3.430 5.270 . 0 0 "[ . 1 . 2]" 1
260 1 36 VAL H 1 36 VAL MG2 2.610 . 2.870 2.389 2.041 2.663 . 0 0 "[ . 1 . 2]" 1
261 1 69 ASP H 1 70 ILE H 3.430 . 3.770 2.874 2.639 3.159 . 0 0 "[ . 1 . 2]" 1
262 1 70 ILE H 1 72 LEU H 4.090 . 4.500 4.183 3.869 4.368 . 0 0 "[ . 1 . 2]" 1
263 1 70 ILE H 1 71 VAL H 3.680 . 4.050 2.754 2.653 2.914 . 0 0 "[ . 1 . 2]" 1
264 1 68 ILE MD 1 70 ILE H 3.990 . 4.390 3.383 2.942 3.817 . 0 0 "[ . 1 . 2]" 1
265 1 70 ILE H 1 72 LEU MD1 4.890 . 5.380 5.301 4.997 5.497 0.117 11 0 "[ . 1 . 2]" 1
266 1 70 ILE H 1 71 VAL MG2 4.520 . 4.970 4.285 4.008 4.516 . 0 0 "[ . 1 . 2]" 1
267 1 121 GLN H 1 124 VAL H 5.200 . 5.720 4.843 4.711 4.972 . 0 0 "[ . 1 . 2]" 1
268 1 118 LYS H 1 121 GLN H 4.750 . 5.220 4.805 4.559 4.993 . 0 0 "[ . 1 . 2]" 1
269 1 121 GLN H 1 122 GLY H 3.220 . 3.540 2.703 2.523 2.987 . 0 0 "[ . 1 . 2]" 1
270 1 26 LEU MD2 1 121 GLN H 5.250 . 5.780 5.139 4.842 5.836 0.056 6 0 "[ . 1 . 2]" 1
271 1 90 ALA H 1 91 TYR H 3.590 . 3.950 2.697 2.625 2.816 . 0 0 "[ . 1 . 2]" 1
272 1 89 LYS H 1 90 ALA H 3.560 . 3.920 2.626 2.502 2.768 . 0 0 "[ . 1 . 2]" 1
273 1 90 ALA H 1 91 TYR HB2 4.810 . 5.290 4.783 4.560 4.950 . 0 0 "[ . 1 . 2]" 1
274 1 62 GLU H 1 63 HIS H 4.580 . 5.040 3.204 2.069 4.665 . 0 0 "[ . 1 . 2]" 1
275 1 61 ASP H 1 62 GLU H 4.020 . 4.420 3.272 1.792 4.331 0.008 4 0 "[ . 1 . 2]" 1
276 1 62 GLU H 1 64 VAL H 4.820 . 5.300 4.201 2.429 5.340 0.040 11 0 "[ . 1 . 2]" 1
277 1 94 LYS H 1 95 PHE H 3.730 . 4.100 2.603 2.490 2.743 . 0 0 "[ . 1 . 2]" 1
278 1 94 LYS H 1 96 MET H 4.780 . 5.260 4.384 3.926 4.594 . 0 0 "[ . 1 . 2]" 1
279 1 94 LYS H 1 95 PHE HB3 4.860 . 5.350 4.397 4.191 4.623 . 0 0 "[ . 1 . 2]" 1
280 1 94 LYS H 1 95 PHE HB2 5.300 . 5.830 4.944 4.680 5.374 . 0 0 "[ . 1 . 2]" 1
281 1 93 LYS H 1 95 PHE H 4.070 . 4.480 4.267 4.105 4.505 0.025 8 0 "[ . 1 . 2]" 1
282 1 101 ASP H 1 102 HIS H 3.190 . 3.510 2.730 2.582 2.971 . 0 0 "[ . 1 . 2]" 1
283 1 40 GLY H 1 41 GLU H 3.140 . 3.450 2.430 1.881 3.025 . 0 0 "[ . 1 . 2]" 1
284 1 64 VAL H 1 66 ARG H 5.170 . 5.690 5.309 4.816 5.583 . 0 0 "[ . 1 . 2]" 1
285 1 41 GLU H 1 42 ILE H 4.420 . 4.860 4.249 3.617 4.570 . 0 0 "[ . 1 . 2]" 1
286 1 64 VAL H 1 65 GLU H 3.830 . 4.210 3.706 2.684 4.248 0.038 4 0 "[ . 1 . 2]" 1
287 1 64 VAL H 1 64 VAL MG2 2.900 . 3.190 2.378 2.001 3.048 . 0 0 "[ . 1 . 2]" 1
288 1 2 LEU MD1 1 3 ILE H 4.580 . 5.040 4.816 4.444 5.179 0.139 2 0 "[ . 1 . 2]" 1
289 1 2 LEU MD2 1 3 ILE H 3.740 . 4.110 3.707 3.431 3.965 . 0 0 "[ . 1 . 2]" 1
290 1 99 VAL MG2 1 103 MET H 5.550 . 6.110 5.232 5.019 5.447 . 0 0 "[ . 1 . 2]" 1
291 1 182 LEU MD2 1 183 GLU H 4.230 . 4.650 3.996 1.909 4.782 0.132 4 0 "[ . 1 . 2]" 1
292 1 103 MET H 1 113 VAL MG1 5.210 . 5.730 4.714 3.940 5.729 . 0 0 "[ . 1 . 2]" 1
293 1 21 LYS H 1 29 GLU H 3.980 . 4.380 3.670 2.857 4.385 0.005 2 0 "[ . 1 . 2]" 1
294 1 28 TYR QD 1 29 GLU H 3.870 . 4.260 3.575 2.833 4.068 . 0 0 "[ . 1 . 2]" 1
295 1 23 VAL MG1 1 29 GLU H 4.370 . 4.810 3.707 2.757 4.370 . 0 0 "[ . 1 . 2]" 1
296 1 27 VAL MG1 1 29 GLU H 4.690 . 5.160 3.927 3.626 4.435 . 0 0 "[ . 1 . 2]" 1
297 1 119 LYS H 1 120 ILE H 3.380 . 3.720 2.635 2.479 2.829 . 0 0 "[ . 1 . 2]" 1
298 1 119 LYS H 1 122 GLY H 4.970 . 5.470 4.690 4.510 4.886 . 0 0 "[ . 1 . 2]" 1
299 1 119 LYS H 1 121 GLN H 4.290 . 4.720 4.184 3.956 4.483 . 0 0 "[ . 1 . 2]" 1
300 1 26 LEU MD1 1 119 LYS H 4.270 . 4.700 4.365 3.900 4.703 0.003 3 0 "[ . 1 . 2]" 1
301 1 26 LEU MD2 1 119 LYS H 4.790 . 5.270 4.827 4.632 5.180 . 0 0 "[ . 1 . 2]" 1
302 1 113 VAL H 1 114 ASP H 3.030 . 3.330 2.565 2.457 2.680 . 0 0 "[ . 1 . 2]" 1
303 1 111 ALA H 1 112 ASP H 2.940 . 3.230 2.597 2.445 2.843 . 0 0 "[ . 1 . 2]" 1
304 1 113 VAL MG1 1 114 ASP H 4.140 . 4.550 4.079 3.935 4.242 . 0 0 "[ . 1 . 2]" 1
305 1 113 VAL MG2 1 114 ASP H 2.990 . 3.290 2.379 2.034 2.548 . 0 0 "[ . 1 . 2]" 1
306 1 142 GLU H 1 143 ARG H 3.650 . 4.020 2.818 2.277 3.186 . 0 0 "[ . 1 . 2]" 1
307 1 77 VAL MG1 1 142 GLU H 4.430 . 4.870 3.823 3.136 4.648 . 0 0 "[ . 1 . 2]" 1
308 1 63 HIS H 1 64 VAL H 3.580 . 3.940 2.927 1.952 3.938 . 0 0 "[ . 1 . 2]" 1
309 1 63 HIS H 1 64 VAL MG2 3.960 . 4.360 3.840 2.497 4.442 0.082 3 0 "[ . 1 . 2]" 1
310 1 26 LEU H 1 27 VAL H 3.230 . 3.550 2.035 1.915 2.186 . 0 0 "[ . 1 . 2]" 1
311 1 23 VAL H 1 27 VAL H 3.530 . 3.880 3.481 3.155 3.878 . 0 0 "[ . 1 . 2]" 1
312 1 26 LEU MD1 1 27 VAL H 4.970 . 5.470 4.549 4.422 4.727 . 0 0 "[ . 1 . 2]" 1
313 1 23 VAL MG1 1 27 VAL H 3.540 . 3.890 2.945 2.792 3.093 . 0 0 "[ . 1 . 2]" 1
314 1 27 VAL H 1 27 VAL MG1 4.000 . 4.400 3.906 3.789 3.984 . 0 0 "[ . 1 . 2]" 1
315 1 22 LEU MD1 1 27 VAL H 3.330 . 3.660 3.145 2.795 3.586 . 0 0 "[ . 1 . 2]" 1
316 1 27 VAL H 1 27 VAL MG2 3.520 . 3.870 2.709 2.333 3.059 . 0 0 "[ . 1 . 2]" 1
317 1 81 CYS H 1 82 TYR H 4.250 . 4.680 2.628 2.329 2.878 . 0 0 "[ . 1 . 2]" 1
318 1 98 ASN H 1 101 ASP H 4.520 . 4.970 4.724 4.210 4.934 . 0 0 "[ . 1 . 2]" 1
319 1 101 ASP H 1 103 MET H 4.600 . 5.060 4.315 4.100 4.629 . 0 0 "[ . 1 . 2]" 1
320 1 100 ILE MD 1 101 ASP H 4.580 . 5.040 4.651 4.418 4.997 . 0 0 "[ . 1 . 2]" 1
321 1 112 ASP H 1 113 VAL H 3.220 . 3.540 2.444 2.271 2.587 . 0 0 "[ . 1 . 2]" 1
322 1 28 TYR QD 1 171 LEU H 4.610 . 5.070 4.382 3.186 5.301 0.231 20 0 "[ . 1 . 2]" 1
323 1 133 PHE QD 1 135 ASN H 5.600 . 6.160 5.394 5.037 5.698 . 0 0 "[ . 1 . 2]" 1
324 1 133 PHE H 1 135 ASN H 4.770 . 5.250 4.488 4.192 4.906 . 0 0 "[ . 1 . 2]" 1
325 1 27 VAL MG1 1 171 LEU H 3.130 . 3.440 2.527 2.175 2.985 . 0 0 "[ . 1 . 2]" 1
326 1 169 LEU MD1 1 171 LEU H 5.170 . 5.690 4.521 4.132 5.027 . 0 0 "[ . 1 . 2]" 1
327 1 87 MET H 1 89 LYS H 4.600 . 5.060 4.092 3.780 4.332 . 0 0 "[ . 1 . 2]" 1
328 1 88 PHE QD 1 89 LYS H 4.000 . 4.400 3.791 3.052 4.171 . 0 0 "[ . 1 . 2]" 1
329 1 88 PHE HB3 1 89 LYS H 4.590 . 5.050 2.794 2.504 3.130 . 0 0 "[ . 1 . 2]" 1
330 1 88 PHE HB2 1 89 LYS H 4.590 . 5.050 4.040 3.835 4.229 . 0 0 "[ . 1 . 2]" 1
331 1 83 GLU H 1 84 ASP H 3.250 . 3.580 2.180 2.038 2.578 . 0 0 "[ . 1 . 2]" 1
332 1 80 ASN H 1 84 ASP H 5.270 . 5.800 4.303 3.382 5.341 . 0 0 "[ . 1 . 2]" 1
333 1 84 ASP H 1 85 ALA H 4.600 . 5.060 2.670 2.302 2.944 . 0 0 "[ . 1 . 2]" 1
334 1 82 TYR H 1 84 ASP H 4.010 . 4.410 3.860 3.426 4.100 . 0 0 "[ . 1 . 2]" 1
335 1 96 MET H 1 97 LYS H 3.630 . 3.990 2.768 2.640 2.922 . 0 0 "[ . 1 . 2]" 1
336 1 95 PHE HB3 1 97 LYS H 4.940 . 5.430 4.959 4.653 5.337 . 0 0 "[ . 1 . 2]" 1
337 1 95 PHE HB2 1 97 LYS H 5.980 . 6.580 6.015 5.680 6.280 . 0 0 "[ . 1 . 2]" 1
338 1 68 ILE H 1 72 LEU H 4.610 . 5.070 4.434 4.129 4.873 . 0 0 "[ . 1 . 2]" 1
339 1 98 ASN H 1 99 VAL H 3.370 . 3.710 2.634 2.474 2.765 . 0 0 "[ . 1 . 2]" 1
340 1 72 LEU H 1 75 LYS H 5.110 . 5.620 4.712 4.449 5.070 . 0 0 "[ . 1 . 2]" 1
341 1 95 PHE QD 1 98 ASN H 5.210 . 5.730 5.699 5.415 5.849 0.119 13 0 "[ . 1 . 2]" 1
342 1 71 VAL H 1 72 LEU H 3.520 . 3.870 2.537 2.276 2.664 . 0 0 "[ . 1 . 2]" 1
343 1 98 ASN H 1 100 ILE MD 5.450 . 6.000 5.702 5.118 6.047 0.047 9 0 "[ . 1 . 2]" 1
344 1 72 LEU H 1 72 LEU MD1 3.810 . 4.190 3.608 3.448 3.716 . 0 0 "[ . 1 . 2]" 1
345 1 98 ASN H 1 99 VAL MG2 3.730 . 4.100 3.952 3.727 4.115 0.015 8 0 "[ . 1 . 2]" 1
346 1 98 ASN H 1 99 VAL MG1 4.930 . 5.420 4.121 3.956 4.434 . 0 0 "[ . 1 . 2]" 1
347 1 71 VAL MG2 1 72 LEU H 3.960 . 4.360 3.936 3.788 4.129 . 0 0 "[ . 1 . 2]" 1
348 1 116 PHE H 1 117 LYS H 3.650 . 4.020 2.729 2.533 2.955 . 0 0 "[ . 1 . 2]" 1
349 1 116 PHE QD 1 117 LYS H 3.700 . 4.070 3.458 3.103 3.745 . 0 0 "[ . 1 . 2]" 1
350 1 116 PHE QE 1 117 LYS H 4.980 . 5.480 5.430 5.071 5.546 0.066 10 0 "[ . 1 . 2]" 1
351 1 114 ASP H 1 117 LYS H 4.920 . 5.410 4.582 4.343 4.817 . 0 0 "[ . 1 . 2]" 1
352 1 116 PHE HB2 1 117 LYS H 3.930 . 4.320 3.970 3.803 4.127 . 0 0 "[ . 1 . 2]" 1
353 1 116 PHE HB3 1 117 LYS H 3.990 . 4.390 2.645 2.361 2.849 . 0 0 "[ . 1 . 2]" 1
354 1 135 ASN H 1 136 LEU H 3.250 . 3.580 2.566 2.124 2.822 . 0 0 "[ . 1 . 2]" 1
355 1 136 LEU H 1 136 LEU MD1 4.000 . 4.400 3.923 3.697 4.025 . 0 0 "[ . 1 . 2]" 1
356 1 136 LEU H 1 136 LEU MD2 4.120 . 4.530 3.780 3.553 4.119 . 0 0 "[ . 1 . 2]" 1
357 1 8 PHE H 1 10 ASP H 4.200 . 4.620 3.557 3.303 3.964 . 0 0 "[ . 1 . 2]" 1
358 1 9 THR H 1 10 ASP H 4.070 . 4.480 2.399 1.844 2.905 . 0 0 "[ . 1 . 2]" 1
359 1 72 LEU H 1 76 LEU H 5.530 . 6.080 5.082 4.856 5.467 . 0 0 "[ . 1 . 2]" 1
360 1 161 VAL H 1 164 THR H 3.050 . 3.360 3.111 2.554 3.456 0.096 19 0 "[ . 1 . 2]" 1
361 1 161 VAL MG1 1 164 THR H 3.350 . 3.690 3.432 3.145 3.752 0.062 1 0 "[ . 1 . 2]" 1
362 1 118 LYS H 1 119 LYS H 2.970 . 3.270 2.630 2.547 2.761 . 0 0 "[ . 1 . 2]" 1
363 1 72 LEU H 1 73 ASN H 3.510 . 3.860 2.589 2.441 2.680 . 0 0 "[ . 1 . 2]" 1
364 1 73 ASN H 1 74 HIS H 3.450 . 3.790 2.647 2.332 3.035 . 0 0 "[ . 1 . 2]" 1
365 1 71 VAL MG1 1 73 ASN H 5.180 . 5.700 4.912 4.723 5.279 . 0 0 "[ . 1 . 2]" 1
366 1 73 ASN H 1 76 LEU MD1 5.890 . 6.480 5.704 5.323 6.149 . 0 0 "[ . 1 . 2]" 1
367 1 71 VAL MG2 1 73 ASN H 5.370 . 5.910 5.443 5.260 5.697 . 0 0 "[ . 1 . 2]" 1
368 1 10 ASP H 1 11 ASP H 3.810 . 4.190 2.766 2.508 2.928 . 0 0 "[ . 1 . 2]" 1
369 1 125 VAL H 1 128 LEU MD1 4.880 . 5.370 4.673 4.026 5.140 . 0 0 "[ . 1 . 2]" 1
370 1 174 GLU H 1 175 ALA H 3.860 . 4.250 2.586 2.370 2.774 . 0 0 "[ . 1 . 2]" 1
371 1 172 VAL MG1 1 175 ALA H 3.700 . 4.070 2.077 1.814 2.537 . 0 0 "[ . 1 . 2]" 1
372 1 172 VAL MG2 1 175 ALA H 3.860 . 4.250 3.390 3.004 3.945 . 0 0 "[ . 1 . 2]" 1
373 1 175 ALA H 1 176 ILE MD 5.410 . 5.950 5.282 4.626 6.050 0.100 20 0 "[ . 1 . 2]" 1
374 1 99 VAL MG1 1 175 ALA H 4.380 . 4.820 3.667 3.222 4.080 . 0 0 "[ . 1 . 2]" 1
375 1 33 LYS H 1 69 ASP H 3.390 . 3.730 3.039 2.502 3.535 . 0 0 "[ . 1 . 2]" 1
376 1 33 LYS H 1 35 VAL H 5.400 . 5.940 5.825 5.518 6.035 0.095 2 0 "[ . 1 . 2]" 1
377 1 33 LYS H 1 70 ILE H 3.910 . 4.300 3.862 3.566 4.322 0.022 16 0 "[ . 1 . 2]" 1
378 1 32 GLY H 1 33 LYS H 4.450 . 4.890 4.377 4.234 4.593 . 0 0 "[ . 1 . 2]" 1
379 1 33 LYS H 1 35 VAL MG2 4.100 . 4.510 4.349 4.050 4.583 0.073 17 0 "[ . 1 . 2]" 1
380 1 145 ALA H 1 146 GLU H 3.260 . 3.590 2.615 2.328 2.757 . 0 0 "[ . 1 . 2]" 1
381 1 146 GLU H 1 147 GLY H 3.230 . 3.550 2.394 2.015 2.776 . 0 0 "[ . 1 . 2]" 1
382 1 107 ASN H 1 108 ARG H 3.120 . 3.430 2.344 1.981 3.244 . 0 0 "[ . 1 . 2]" 1
383 1 106 ASN H 1 108 ARG H 4.060 . 4.470 4.150 3.686 4.516 0.046 2 0 "[ . 1 . 2]" 1
384 1 104 GLU H 1 108 ARG H 5.620 . 6.180 5.261 4.503 6.332 0.152 16 0 "[ . 1 . 2]" 1
385 1 108 ARG H 1 113 VAL MG2 4.850 . 5.330 4.690 3.740 5.345 0.015 10 0 "[ . 1 . 2]" 1
386 1 174 GLU H 1 176 ILE H 4.250 . 4.680 3.913 3.694 4.169 . 0 0 "[ . 1 . 2]" 1
387 1 116 PHE QE 1 174 GLU H 4.350 . 4.790 3.725 3.352 4.105 . 0 0 "[ . 1 . 2]" 1
388 1 116 PHE QD 1 174 GLU H 5.260 . 5.790 5.666 5.280 5.921 0.131 12 0 "[ . 1 . 2]" 1
389 1 172 VAL MG2 1 174 GLU H 3.730 . 4.100 1.873 1.734 2.431 0.066 6 0 "[ . 1 . 2]" 1
390 1 99 VAL MG1 1 174 GLU H 5.130 . 5.640 4.618 3.979 5.223 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL MG1 1 26 LEU H 3.570 . 3.930 4.007 3.902 4.094 0.164 18 0 "[ . 1 . 2]" 1
392 1 26 LEU H 1 27 VAL MG2 4.060 . 4.470 4.084 3.581 4.432 . 0 0 "[ . 1 . 2]" 1
393 1 71 VAL H 1 73 ASN H 4.270 . 4.700 4.083 3.767 4.330 . 0 0 "[ . 1 . 2]" 1
394 1 71 VAL H 1 71 VAL MG1 3.870 . 4.260 3.752 3.722 3.789 . 0 0 "[ . 1 . 2]" 1
395 1 16 ASP H 1 17 SER H 4.390 . 4.830 4.118 2.910 4.677 . 0 0 "[ . 1 . 2]" 1
396 1 96 MET H 1 98 ASN H 4.340 . 4.770 4.155 3.912 4.383 . 0 0 "[ . 1 . 2]" 1
397 1 95 PHE QD 1 96 MET H 3.680 . 4.050 2.856 2.481 3.304 . 0 0 "[ . 1 . 2]" 1
398 1 95 PHE HB3 1 96 MET H 4.310 . 4.740 2.385 2.127 2.674 . 0 0 "[ . 1 . 2]" 1
399 1 95 PHE HB2 1 96 MET H 4.330 . 4.760 3.807 3.628 3.998 . 0 0 "[ . 1 . 2]" 1
400 1 96 MET H 1 99 VAL MG2 4.680 . 5.150 4.146 3.999 4.321 . 0 0 "[ . 1 . 2]" 1
401 1 59 GLY H 1 60 SER H 4.050 . 4.460 2.902 1.878 4.476 0.016 15 0 "[ . 1 . 2]" 1
402 1 106 ASN H 1 107 ASN H 3.280 . 3.610 2.276 2.030 2.574 . 0 0 "[ . 1 . 2]" 1
403 1 106 ASN H 1 106 ASN HD21 3.960 . 4.360 3.027 2.337 3.789 . 0 0 "[ . 1 . 2]" 1
404 1 106 ASN H 1 106 ASN HD22 3.960 . 4.360 4.014 3.462 4.357 . 0 0 "[ . 1 . 2]" 1
405 1 24 ASP H 1 25 ASP H 3.400 . 3.740 2.884 2.744 3.914 0.174 8 0 "[ . 1 . 2]" 1
406 1 25 ASP H 1 26 LEU H 3.330 . 3.660 2.815 1.756 2.967 0.044 8 0 "[ . 1 . 2]" 1
407 1 25 ASP H 1 27 VAL H 4.530 . 4.980 4.349 3.263 4.590 . 0 0 "[ . 1 . 2]" 1
408 1 23 VAL MG2 1 25 ASP H 4.630 . 5.090 4.628 4.459 4.841 . 0 0 "[ . 1 . 2]" 1
409 1 22 LEU MD2 1 25 ASP H 3.500 . 3.850 3.734 3.426 3.923 0.073 18 0 "[ . 1 . 2]" 1
410 1 125 VAL H 1 126 SER H 3.270 . 3.600 2.653 2.463 2.753 . 0 0 "[ . 1 . 2]" 1
411 1 126 SER H 1 127 LEU H 3.270 . 3.600 2.515 2.426 2.580 . 0 0 "[ . 1 . 2]" 1
412 1 126 SER H 1 128 LEU H 3.910 . 4.300 4.075 3.883 4.223 . 0 0 "[ . 1 . 2]" 1
413 1 130 LYS H 1 131 ASP H 3.240 . 3.560 2.789 2.474 3.052 . 0 0 "[ . 1 . 2]" 1
414 1 131 ASP H 1 132 ARG H 3.250 . 3.580 2.699 2.277 2.878 . 0 0 "[ . 1 . 2]" 1
415 1 131 ASP H 1 134 LYS H 4.180 . 4.600 4.614 4.310 4.807 0.207 3 0 "[ . 1 . 2]" 1
416 1 30 PHE QD 1 32 GLY H 5.570 . 6.130 5.229 3.829 6.120 . 0 0 "[ . 1 . 2]" 1
417 1 131 ASP H 1 133 PHE QD 6.060 . 6.670 4.865 4.411 5.923 . 0 0 "[ . 1 . 2]" 1
418 1 131 ASP H 1 133 PHE HB2 4.770 . 5.250 4.735 4.412 5.129 . 0 0 "[ . 1 . 2]" 1
419 1 75 LYS H 1 76 LEU H 3.210 . 3.530 2.834 2.671 3.001 . 0 0 "[ . 1 . 2]" 1
420 1 71 VAL MG1 1 76 LEU H 3.220 . 3.540 2.537 2.090 2.903 . 0 0 "[ . 1 . 2]" 1
421 1 76 LEU H 1 76 LEU MD1 3.640 . 4.000 3.749 3.591 3.869 . 0 0 "[ . 1 . 2]" 1
422 1 71 VAL MG2 1 76 LEU H 4.190 . 4.610 4.141 3.324 4.439 . 0 0 "[ . 1 . 2]" 1
423 1 76 LEU H 1 76 LEU MD2 3.540 . 3.890 3.419 3.210 3.722 . 0 0 "[ . 1 . 2]" 1
424 1 32 GLY H 1 169 LEU H 4.920 . 5.410 4.373 2.988 5.081 . 0 0 "[ . 1 . 2]" 1
425 1 104 GLU H 1 107 ASN H 5.100 . 5.610 4.817 4.631 5.190 . 0 0 "[ . 1 . 2]" 1
426 1 17 SER H 1 18 PHE QD 4.940 . 5.430 4.073 1.963 5.209 . 0 0 "[ . 1 . 2]" 1
427 1 85 ALA H 1 86 SER H 3.380 . 3.720 2.951 2.693 3.424 . 0 0 "[ . 1 . 2]" 1
428 1 86 SER H 1 87 MET H 3.390 . 3.730 2.656 2.498 2.921 . 0 0 "[ . 1 . 2]" 1
429 1 77 VAL H 1 140 ILE H 3.440 . 3.780 3.214 3.019 3.619 . 0 0 "[ . 1 . 2]" 1
430 1 139 PHE H 1 140 ILE H 4.570 . 5.030 4.350 4.229 4.442 . 0 0 "[ . 1 . 2]" 1
431 1 139 PHE QD 1 140 ILE H 3.930 . 4.320 3.786 3.504 4.046 . 0 0 "[ . 1 . 2]" 1
432 1 139 PHE HB3 1 140 ILE H 4.190 . 4.610 2.844 2.363 3.136 . 0 0 "[ . 1 . 2]" 1
433 1 139 PHE HB2 1 140 ILE H 4.290 . 4.720 3.991 3.624 4.178 . 0 0 "[ . 1 . 2]" 1
434 1 77 VAL MG1 1 140 ILE H 3.320 . 3.650 2.948 2.569 3.215 . 0 0 "[ . 1 . 2]" 1
435 1 140 ILE H 1 140 ILE MD 4.960 . 5.460 4.404 2.864 4.922 . 0 0 "[ . 1 . 2]" 1
436 1 82 TYR QD 1 83 GLU H 4.110 . 4.520 4.060 3.658 4.578 0.058 2 0 "[ . 1 . 2]" 1
437 1 82 TYR H 1 83 GLU H 3.870 . 4.260 2.708 2.440 3.065 . 0 0 "[ . 1 . 2]" 1
438 1 80 ASN H 1 83 GLU H 5.190 . 5.710 4.662 3.949 5.548 . 0 0 "[ . 1 . 2]" 1
439 1 140 ILE MD 1 144 ALA H 4.410 . 4.850 4.467 3.602 4.943 0.093 3 0 "[ . 1 . 2]" 1
440 1 147 GLY H 1 148 ALA H 3.210 . 3.530 2.310 1.762 2.792 0.038 4 0 "[ . 1 . 2]" 1
441 1 146 GLU H 1 148 ALA H 3.960 . 4.360 4.006 3.470 4.418 0.058 19 0 "[ . 1 . 2]" 1
442 1 105 LYS H 1 107 ASN H 4.030 . 4.430 3.970 3.682 4.244 . 0 0 "[ . 1 . 2]" 1
443 1 91 TYR H 1 91 TYR QE 5.210 . 5.730 4.684 4.542 4.937 . 0 0 "[ . 1 . 2]" 1
444 1 73 ASN H 1 76 LEU H 5.490 . 6.040 5.500 5.168 5.817 . 0 0 "[ . 1 . 2]" 1
445 1 6 ASP H 1 10 ASP H 4.620 . 5.080 3.895 3.252 4.638 . 0 0 "[ . 1 . 2]" 1
446 1 76 LEU MD1 1 141 GLY H 5.350 . 5.890 5.108 4.471 5.692 . 0 0 "[ . 1 . 2]" 1
447 1 141 GLY H 1 144 ALA H 5.000 . 5.500 4.596 4.126 4.908 . 0 0 "[ . 1 . 2]" 1
448 1 140 ILE H 1 141 GLY H 4.920 . 5.410 4.391 4.321 4.467 . 0 0 "[ . 1 . 2]" 1
449 1 4 TYR QD 1 15 SER H 5.900 . 6.490 4.938 2.547 6.614 0.124 9 0 "[ . 1 . 2]" 1
450 1 71 VAL MG2 1 140 ILE H 5.670 . 6.240 5.656 5.241 6.101 . 0 0 "[ . 1 . 2]" 1
451 1 46 GLY H 1 47 SER H 4.690 . 5.160 3.466 1.892 4.600 . 0 0 "[ . 1 . 2]" 1
452 1 96 MET H 1 100 ILE MD 5.590 . 6.150 5.697 5.214 6.187 0.037 7 0 "[ . 1 . 2]" 1
453 1 71 VAL H 1 74 HIS H 5.070 . 5.580 4.997 4.475 5.666 0.086 9 0 "[ . 1 . 2]" 1
454 1 26 LEU H 1 26 LEU MD1 4.510 . 4.960 4.442 4.315 4.535 . 0 0 "[ . 1 . 2]" 1
455 1 8 PHE H 1 11 ASP H 5.440 . 5.980 5.726 4.539 6.304 0.324 14 0 "[ . 1 . 2]" 1
456 1 116 PHE QD 1 118 LYS H 5.280 . 5.810 5.529 5.244 5.693 . 0 0 "[ . 1 . 2]" 1
457 1 116 PHE HB3 1 118 LYS H 4.970 . 5.470 5.055 4.640 5.309 . 0 0 "[ . 1 . 2]" 1
458 1 164 THR H 1 166 VAL H 5.880 . 6.470 6.079 5.490 6.517 0.047 10 0 "[ . 1 . 2]" 1
459 1 136 LEU H 1 137 ALA H 4.700 . 5.170 4.511 4.418 4.581 . 0 0 "[ . 1 . 2]" 1
460 1 69 ASP H 1 72 LEU H 4.750 . 5.220 4.880 4.644 5.132 . 0 0 "[ . 1 . 2]" 1
461 1 22 LEU MD1 1 171 LEU H 5.920 . 6.510 6.269 5.908 6.564 0.054 16 0 "[ . 1 . 2]" 1
462 1 182 LEU H 1 183 GLU H 4.590 . 5.050 3.753 1.635 4.619 0.165 14 0 "[ . 1 . 2]" 1
463 1 16 ASP H 1 18 PHE H 4.590 . 5.050 4.466 3.726 5.227 0.177 14 0 "[ . 1 . 2]" 1
464 1 87 MET H 1 90 ALA H 5.240 . 5.760 4.768 4.525 4.935 . 0 0 "[ . 1 . 2]" 1
465 1 35 VAL H 1 36 VAL H 4.500 . 4.950 4.390 4.223 4.494 . 0 0 "[ . 1 . 2]" 1
466 1 36 VAL H 1 72 LEU MD1 4.410 . 4.850 4.301 3.641 4.837 . 0 0 "[ . 1 . 2]" 1
467 1 89 LYS H 1 91 TYR H 4.760 . 5.240 4.147 3.936 4.390 . 0 0 "[ . 1 . 2]" 1
468 1 34 HIS H 1 69 ASP H 5.520 . 6.070 4.963 4.717 5.107 . 0 0 "[ . 1 . 2]" 1
469 1 20 MET H 1 21 LYS H 4.510 . 4.960 4.482 4.202 4.652 . 0 0 "[ . 1 . 2]" 1
470 1 109 ASP H 1 113 VAL MG1 4.750 . 5.220 3.539 2.444 4.436 . 0 0 "[ . 1 . 2]" 1
471 1 99 VAL MG1 1 176 ILE H 5.690 . 6.260 5.233 4.826 5.715 . 0 0 "[ . 1 . 2]" 1
472 1 7 ILE MD 1 176 ILE H 5.710 . 6.280 4.969 3.396 6.333 0.053 2 0 "[ . 1 . 2]" 1
473 1 129 ALA H 1 130 LYS H 4.520 . 4.970 4.299 3.722 4.677 . 0 0 "[ . 1 . 2]" 1
474 1 22 LEU H 1 23 VAL H 4.690 . 5.160 4.302 4.008 4.499 . 0 0 "[ . 1 . 2]" 1
475 1 23 VAL H 1 28 TYR QD 5.560 . 6.120 5.391 4.344 6.045 . 0 0 "[ . 1 . 2]" 1
476 1 23 VAL H 1 27 VAL MG1 5.120 . 5.630 4.464 4.163 4.694 . 0 0 "[ . 1 . 2]" 1
477 1 22 LEU MD2 1 173 LYS H 6.420 . 7.060 6.094 5.504 6.815 . 0 0 "[ . 1 . 2]" 1
478 1 23 VAL MG1 1 173 LYS H 6.500 . 7.150 6.323 5.803 6.660 . 0 0 "[ . 1 . 2]" 1
479 1 152 GLN HE22 1 172 VAL H 4.740 . 5.210 3.727 1.776 5.291 0.081 19 0 "[ . 1 . 2]" 1
480 1 152 GLN HE22 1 171 LEU MD2 4.530 . 4.980 2.844 1.751 4.166 0.049 14 0 "[ . 1 . 2]" 1
481 1 152 GLN HE21 1 171 LEU MD2 4.530 . 4.980 2.463 1.785 3.726 0.015 9 0 "[ . 1 . 2]" 1
482 1 121 GLN HE22 1 125 VAL MG2 4.910 . 5.400 3.687 2.131 5.305 . 0 0 "[ . 1 . 2]" 1
483 1 121 GLN HE21 1 125 VAL MG1 4.910 . 5.400 3.746 1.796 5.391 0.004 8 0 "[ . 1 . 2]" 1
484 1 116 PHE QE 1 175 ALA H 5.550 . 6.110 5.651 5.263 6.098 . 0 0 "[ . 1 . 2]" 1
485 1 153 VAL H 1 153 VAL MG2 3.730 . 4.100 2.477 2.293 2.704 . 0 0 "[ . 1 . 2]" 1
486 1 71 VAL MG2 1 156 ILE MD 3.420 . 3.760 3.020 2.648 3.439 . 0 0 "[ . 1 . 2]" 1
487 1 156 ILE MD 1 169 LEU MD1 3.100 . 3.410 2.086 1.875 2.249 . 0 0 "[ . 1 . 2]" 1
488 1 68 ILE MD 1 156 ILE MD 3.340 . 3.670 2.081 1.777 2.765 0.023 15 0 "[ . 1 . 2]" 1
489 1 139 PHE QE 1 156 ILE MD 4.880 . 5.370 4.422 3.972 4.812 . 0 0 "[ . 1 . 2]" 1
490 1 139 PHE QD 1 156 ILE MD 4.170 . 4.590 3.641 3.116 3.873 . 0 0 "[ . 1 . 2]" 1
491 1 35 VAL MG2 1 36 VAL H 3.580 . 3.940 3.475 2.586 3.784 . 0 0 "[ . 1 . 2]" 1
492 1 7 ILE MD 1 8 PHE QE 4.390 . 4.830 3.078 2.525 4.162 . 0 0 "[ . 1 . 2]" 1
493 1 7 ILE MD 1 8 PHE HZ 4.660 . 5.130 3.598 2.659 4.874 . 0 0 "[ . 1 . 2]" 1
494 1 27 VAL MG2 1 120 ILE MD 3.610 . 3.970 3.467 3.020 3.961 . 0 0 "[ . 1 . 2]" 1
495 1 23 VAL MG1 1 27 VAL MG2 4.000 . 4.400 3.172 2.896 3.498 . 0 0 "[ . 1 . 2]" 1
496 1 27 VAL MG2 1 172 VAL MG1 4.990 . 5.490 4.868 4.206 5.233 . 0 0 "[ . 1 . 2]" 1
497 1 27 VAL MG2 1 171 LEU H 4.790 . 5.270 4.785 4.285 5.257 . 0 0 "[ . 1 . 2]" 1
498 1 27 VAL MG1 1 28 TYR QD 4.900 . 5.390 4.999 4.554 5.233 . 0 0 "[ . 1 . 2]" 1
499 1 138 PHE QD 1 153 VAL MG1 3.870 . 4.260 2.608 2.034 3.354 . 0 0 "[ . 1 . 2]" 1
500 1 138 PHE QD 1 153 VAL MG2 4.210 . 4.630 4.541 3.741 4.758 0.128 20 0 "[ . 1 . 2]" 1
501 1 91 TYR QD 1 153 VAL MG2 4.230 . 4.650 2.697 2.260 3.205 . 0 0 "[ . 1 . 2]" 1
502 1 91 TYR QE 1 153 VAL MG2 4.230 . 4.650 3.656 3.092 4.388 . 0 0 "[ . 1 . 2]" 1
503 1 71 VAL MG2 1 76 LEU MD1 3.400 . 3.740 2.195 1.868 2.699 . 0 0 "[ . 1 . 2]" 1
504 1 71 VAL MG2 1 139 PHE QD 4.390 . 4.830 2.920 2.802 3.063 . 0 0 "[ . 1 . 2]" 1
505 1 71 VAL MG2 1 139 PHE QE 4.200 . 4.620 2.943 2.719 3.216 . 0 0 "[ . 1 . 2]" 1
506 1 71 VAL MG2 1 139 PHE HZ 4.310 . 4.740 3.242 2.726 3.756 . 0 0 "[ . 1 . 2]" 1
507 1 71 VAL MG1 1 76 LEU MD1 3.550 . 3.900 3.368 2.892 3.871 . 0 0 "[ . 1 . 2]" 1
508 1 71 VAL MG1 1 139 PHE QD 3.920 . 4.310 2.761 2.550 3.064 . 0 0 "[ . 1 . 2]" 1
509 1 71 VAL MG1 1 139 PHE QE 3.770 . 4.150 2.398 2.094 2.702 . 0 0 "[ . 1 . 2]" 1
510 1 71 VAL MG1 1 139 PHE HZ 4.230 . 4.650 3.629 3.342 4.037 . 0 0 "[ . 1 . 2]" 1
511 1 127 LEU MD2 1 136 LEU MD1 3.520 . 3.870 3.169 2.908 3.456 . 0 0 "[ . 1 . 2]" 1
512 1 127 LEU MD2 1 136 LEU MD2 3.690 . 4.060 3.746 3.159 4.147 0.087 15 0 "[ . 1 . 2]" 1
513 1 127 LEU MD2 1 133 PHE QD 4.960 . 5.460 5.069 4.703 5.558 0.098 12 0 "[ . 1 . 2]" 1
514 1 127 LEU MD1 1 155 ILE MD 3.870 . 4.260 3.908 3.457 4.226 . 0 0 "[ . 1 . 2]" 1
515 1 127 LEU MD1 1 136 LEU MD1 4.300 . 4.730 2.234 2.005 2.655 . 0 0 "[ . 1 . 2]" 1
516 1 124 VAL MG2 1 127 LEU MD2 5.650 . 6.210 5.144 4.861 5.712 . 0 0 "[ . 1 . 2]" 1
517 1 127 LEU MD1 1 133 PHE QD 4.030 . 4.430 2.900 1.871 4.558 0.128 4 0 "[ . 1 . 2]" 1
518 1 22 LEU MD1 1 28 TYR QD 3.710 . 4.080 3.377 2.725 4.081 0.001 3 0 "[ . 1 . 2]" 1
519 1 22 LEU MD1 1 25 ASP H 4.200 . 4.620 3.920 3.503 4.450 . 0 0 "[ . 1 . 2]" 1
520 1 22 LEU MD2 1 28 TYR QD 5.070 . 5.580 4.887 4.022 5.664 0.084 3 0 "[ . 1 . 2]" 1
521 1 22 LEU MD2 1 27 VAL H 5.130 . 5.640 5.183 4.580 5.424 . 0 0 "[ . 1 . 2]" 1
522 1 124 VAL MG2 1 128 LEU MD1 3.490 . 3.840 3.244 2.773 3.621 . 0 0 "[ . 1 . 2]" 1
523 1 95 PHE QE 1 124 VAL MG2 4.730 . 5.200 4.387 3.585 5.151 . 0 0 "[ . 1 . 2]" 1
524 1 92 ILE MD 1 124 VAL MG1 3.130 . 3.440 2.863 2.220 3.413 . 0 0 "[ . 1 . 2]" 1
525 1 95 PHE QE 1 124 VAL MG1 3.980 . 4.380 2.525 2.081 3.050 . 0 0 "[ . 1 . 2]" 1
526 1 7 ILE MD 1 99 VAL MG1 4.480 . 4.930 3.261 2.042 4.187 . 0 0 "[ . 1 . 2]" 1
527 1 70 ILE MD 1 169 LEU MD2 3.730 . 4.100 3.090 1.925 3.531 . 0 0 "[ . 1 . 2]" 1
528 1 124 VAL MG2 1 125 VAL MG2 4.630 . 5.090 3.499 2.152 4.387 . 0 0 "[ . 1 . 2]" 1
529 1 125 VAL MG2 1 126 SER H 4.150 . 4.570 3.430 2.192 4.140 . 0 0 "[ . 1 . 2]" 1
530 1 99 VAL MG2 1 100 ILE MD 4.220 . 4.640 3.515 3.249 3.880 . 0 0 "[ . 1 . 2]" 1
531 1 99 VAL MG2 1 172 VAL MG2 4.780 . 5.260 3.279 2.680 3.732 . 0 0 "[ . 1 . 2]" 1
532 1 99 VAL MG1 1 172 VAL MG1 4.190 . 4.610 1.945 1.745 2.530 0.055 12 0 "[ . 1 . 2]" 1
533 1 99 VAL MG2 1 172 VAL MG1 4.390 . 4.830 2.923 2.127 3.614 . 0 0 "[ . 1 . 2]" 1
534 1 95 PHE QD 1 99 VAL MG1 4.020 . 4.420 3.301 2.728 3.796 . 0 0 "[ . 1 . 2]" 1
535 1 95 PHE QE 1 99 VAL MG1 4.050 . 4.460 3.199 2.296 3.938 . 0 0 "[ . 1 . 2]" 1
536 1 99 VAL MG1 1 116 PHE HZ 4.380 . 4.820 3.738 3.249 4.397 . 0 0 "[ . 1 . 2]" 1
537 1 99 VAL MG2 1 116 PHE QE 3.960 . 4.360 2.129 1.891 2.995 . 0 0 "[ . 1 . 2]" 1
538 1 95 PHE QE 1 99 VAL MG2 3.730 . 4.100 3.680 3.407 4.111 0.011 17 0 "[ . 1 . 2]" 1
539 1 99 VAL MG2 1 100 ILE H 4.290 . 4.720 2.292 2.118 2.483 . 0 0 "[ . 1 . 2]" 1
540 1 133 PHE QD 1 136 LEU MD2 4.350 . 4.790 3.205 1.993 4.912 0.122 8 0 "[ . 1 . 2]" 1
541 1 36 VAL MG1 1 72 LEU MD1 4.910 . 5.400 4.368 3.747 5.205 . 0 0 "[ . 1 . 2]" 1
542 1 35 VAL MG2 1 72 LEU MD1 2.940 . 3.230 1.883 1.761 2.139 0.039 17 0 "[ . 1 . 2]" 1
543 1 71 VAL H 1 72 LEU MD1 5.250 . 5.780 5.089 4.826 5.293 . 0 0 "[ . 1 . 2]" 1
544 1 169 LEU MD1 1 171 LEU MD2 3.130 . 3.440 2.612 1.880 3.439 . 0 0 "[ . 1 . 2]" 1
545 1 76 LEU MD1 1 139 PHE QD 3.870 . 4.260 3.851 3.631 4.079 . 0 0 "[ . 1 . 2]" 1
546 1 95 PHE QD 1 172 VAL MG1 4.410 . 4.850 3.796 3.295 4.257 . 0 0 "[ . 1 . 2]" 1
547 1 116 PHE QE 1 172 VAL MG1 4.940 . 5.430 4.166 3.757 4.951 . 0 0 "[ . 1 . 2]" 1
548 1 95 PHE QE 1 172 VAL MG1 4.050 . 4.460 2.281 1.845 2.768 . 0 0 "[ . 1 . 2]" 1
549 1 116 PHE HZ 1 172 VAL MG1 4.460 . 4.910 3.432 2.838 4.266 . 0 0 "[ . 1 . 2]" 1
550 1 116 PHE QE 1 172 VAL MG2 3.670 . 4.040 2.368 1.851 2.994 . 0 0 "[ . 1 . 2]" 1
551 1 13 LEU MD1 1 169 LEU MD2 5.160 . 5.680 3.602 2.008 5.468 . 0 0 "[ . 1 . 2]" 1
552 1 13 LEU MD2 1 169 LEU MD2 5.160 . 5.680 3.921 2.291 5.793 0.113 9 0 "[ . 1 . 2]" 1
553 1 124 VAL MG1 1 128 LEU MD2 3.770 . 4.150 4.076 3.611 4.267 0.117 19 0 "[ . 1 . 2]" 1
554 1 124 VAL MG1 1 128 LEU MD1 3.640 . 4.000 3.868 3.303 4.055 0.055 10 0 "[ . 1 . 2]" 1
555 1 124 VAL MG2 1 128 LEU MD2 4.790 . 5.270 4.686 4.313 5.033 . 0 0 "[ . 1 . 2]" 1
556 1 125 VAL MG2 1 128 LEU MD1 5.650 . 6.210 4.626 3.474 5.630 . 0 0 "[ . 1 . 2]" 1
557 1 92 ILE MD 1 124 VAL MG2 3.880 . 4.270 4.025 3.314 4.366 0.096 3 0 "[ . 1 . 2]" 1
558 1 92 ILE MD 1 95 PHE QD 3.850 . 4.230 3.177 2.561 3.583 . 0 0 "[ . 1 . 2]" 1
559 1 92 ILE MD 1 95 PHE QE 4.030 . 4.430 3.894 3.264 4.429 . 0 0 "[ . 1 . 2]" 1
560 1 171 LEU MD1 1 176 ILE MD 3.550 . 3.900 2.023 1.765 2.786 0.035 9 0 "[ . 1 . 2]" 1
561 1 28 TYR QD 1 176 ILE MD 4.510 . 4.960 4.139 2.844 5.075 0.115 17 0 "[ . 1 . 2]" 1
562 1 4 TYR QD 1 176 ILE MD 5.420 . 5.960 4.466 2.561 5.992 0.032 15 0 "[ . 1 . 2]" 1
563 1 36 VAL H 1 42 ILE MD 4.120 . 4.530 3.016 2.113 4.188 . 0 0 "[ . 1 . 2]" 1
564 1 68 ILE MD 1 71 VAL MG2 3.840 . 4.220 2.322 1.813 3.162 . 0 0 "[ . 1 . 2]" 1
565 1 68 ILE MD 1 139 PHE HZ 5.210 . 5.730 4.939 3.399 5.828 0.098 2 0 "[ . 1 . 2]" 1
566 1 68 ILE MD 1 139 PHE QE 4.360 . 4.800 3.984 2.399 4.804 0.004 17 0 "[ . 1 . 2]" 1
567 1 26 LEU MD2 1 120 ILE MD 3.430 . 3.770 2.622 1.920 3.496 . 0 0 "[ . 1 . 2]" 1
568 1 120 ILE MD 1 172 VAL MG1 3.420 . 3.760 3.207 2.600 3.765 0.005 4 0 "[ . 1 . 2]" 1
569 1 116 PHE QE 1 120 ILE MD 3.520 . 3.870 3.294 2.428 3.948 0.078 9 0 "[ . 1 . 2]" 1
570 1 95 PHE QE 1 120 ILE MD 3.810 . 4.190 2.689 1.841 4.186 . 0 0 "[ . 1 . 2]" 1
571 1 116 PHE HZ 1 120 ILE MD 4.160 . 4.580 3.378 2.675 4.093 . 0 0 "[ . 1 . 2]" 1
572 1 100 ILE MD 1 116 PHE QE 4.660 . 5.130 4.056 3.573 5.065 . 0 0 "[ . 1 . 2]" 1
573 1 100 ILE MD 1 116 PHE QD 5.350 . 5.890 4.053 3.601 4.762 . 0 0 "[ . 1 . 2]" 1
574 1 30 PHE QD 1 70 ILE MD 4.590 . 5.050 2.296 1.752 3.002 0.048 2 0 "[ . 1 . 2]" 1
575 1 124 VAL MG1 1 155 ILE MD 4.370 . 4.810 3.740 3.051 4.290 . 0 0 "[ . 1 . 2]" 1
576 1 128 LEU MD1 1 155 ILE MD 5.510 . 6.060 5.488 4.070 6.135 0.075 3 0 "[ . 1 . 2]" 1
577 1 128 LEU MD2 1 155 ILE MD 4.180 . 4.600 4.065 2.662 4.672 0.072 17 0 "[ . 1 . 2]" 1
578 1 136 LEU MD1 1 155 ILE MD 4.430 . 4.870 4.069 3.561 4.749 . 0 0 "[ . 1 . 2]" 1
579 1 127 LEU MD2 1 155 ILE MD 3.930 . 4.320 2.008 1.854 2.295 . 0 0 "[ . 1 . 2]" 1
580 1 27 VAL MG2 1 28 TYR H 4.040 . 4.440 4.100 3.829 4.245 . 0 0 "[ . 1 . 2]" 1
581 1 64 VAL MG2 1 65 GLU H 5.120 . 5.630 4.208 3.548 4.517 . 0 0 "[ . 1 . 2]" 1
582 1 161 VAL MG2 1 163 GLY H 4.820 . 5.300 4.826 4.395 5.335 0.035 10 0 "[ . 1 . 2]" 1
583 1 64 VAL H 1 64 VAL MG1 4.100 . 4.510 3.897 3.817 4.132 . 0 0 "[ . 1 . 2]" 1
584 1 26 LEU MD1 1 116 PHE QD 3.800 . 4.180 2.618 2.086 3.042 . 0 0 "[ . 1 . 2]" 1
585 1 133 PHE QD 1 136 LEU MD1 3.970 . 4.370 2.345 1.767 3.095 0.033 20 0 "[ . 1 . 2]" 1
586 1 26 LEU MD2 1 27 VAL MG2 2.980 . 3.280 2.258 2.026 2.510 . 0 0 "[ . 1 . 2]" 1
587 1 156 ILE MD 1 171 LEU MD2 5.140 . 5.650 5.096 4.400 5.705 0.055 18 0 "[ . 1 . 2]" 1
588 1 99 VAL MG2 1 120 ILE MD 4.640 . 5.100 3.274 2.485 4.035 . 0 0 "[ . 1 . 2]" 1
589 1 13 LEU MD1 1 176 ILE MD 4.670 . 5.140 3.079 1.936 4.620 . 0 0 "[ . 1 . 2]" 1
590 1 155 ILE MD 1 172 VAL MG1 5.200 . 5.720 5.228 4.830 5.719 . 0 0 "[ . 1 . 2]" 1
591 1 136 LEU MD2 1 155 ILE MD 4.680 . 5.150 4.652 4.109 5.210 0.060 9 0 "[ . 1 . 2]" 1
592 1 128 LEU MD2 1 136 LEU MD2 5.270 . 5.800 5.518 4.841 5.899 0.099 12 0 "[ . 1 . 2]" 1
593 1 26 LEU MD1 1 116 PHE HZ 5.700 . 6.270 3.913 3.370 4.357 . 0 0 "[ . 1 . 2]" 1
594 1 76 LEU MD1 1 139 PHE HB2 4.460 . 4.910 2.840 2.552 3.333 . 0 0 "[ . 1 . 2]" 1
595 1 76 LEU MD1 1 139 PHE HB3 4.600 . 5.060 2.741 2.291 3.011 . 0 0 "[ . 1 . 2]" 1
596 1 71 VAL MG1 1 156 ILE MD 5.240 . 5.760 5.244 4.879 5.700 . 0 0 "[ . 1 . 2]" 1
597 1 128 LEU MD2 1 136 LEU MD1 4.040 . 4.440 3.534 2.955 4.073 . 0 0 "[ . 1 . 2]" 1
598 1 26 LEU MD2 1 172 VAL MG2 4.230 . 4.650 3.897 3.422 4.614 . 0 0 "[ . 1 . 2]" 1
599 1 91 TYR QD 1 153 VAL MG1 5.530 . 6.080 4.543 4.098 4.867 . 0 0 "[ . 1 . 2]" 1
600 1 139 PHE QD 1 153 VAL MG1 5.950 . 6.540 4.885 4.667 5.217 . 0 0 "[ . 1 . 2]" 1
601 1 28 TYR QD 1 171 LEU MD1 4.510 . 4.960 3.621 1.944 5.090 0.130 9 0 "[ . 1 . 2]" 1
602 1 80 ASN H 1 80 ASN HD21 4.730 . 5.200 3.108 1.790 4.217 0.010 9 0 "[ . 1 . 2]" 1
603 1 86 SER H 1 88 PHE H 4.550 . 5.010 4.045 3.722 4.442 . 0 0 "[ . 1 . 2]" 1
604 1 84 ASP H 1 86 SER H 5.760 . 6.340 5.276 4.837 5.978 . 0 0 "[ . 1 . 2]" 1
605 1 86 SER H 1 89 LYS H 6.120 . 6.730 4.699 4.475 4.951 . 0 0 "[ . 1 . 2]" 1
606 1 120 ILE H 1 121 GLN H 3.290 . 3.620 2.584 2.410 2.701 . 0 0 "[ . 1 . 2]" 1
607 1 77 VAL H 1 142 GLU H 4.610 . 5.070 3.728 2.915 4.479 . 0 0 "[ . 1 . 2]" 1
608 1 79 MET H 1 80 ASN H 5.040 . 5.540 3.979 3.752 4.281 . 0 0 "[ . 1 . 2]" 1
609 1 80 ASN H 1 82 TYR H 4.950 . 5.440 5.083 4.587 5.575 0.135 2 0 "[ . 1 . 2]" 1
610 1 127 LEU H 1 129 ALA H 3.870 . 4.260 4.057 3.889 4.266 0.006 8 0 "[ . 1 . 2]" 1
611 1 126 SER H 1 129 ALA H 5.120 . 5.630 5.381 5.009 5.678 0.048 7 0 "[ . 1 . 2]" 1
612 1 77 VAL H 1 141 GLY H 5.280 . 5.810 5.105 4.793 5.462 . 0 0 "[ . 1 . 2]" 1
613 1 122 GLY H 1 124 VAL H 4.380 . 4.820 4.386 4.254 4.577 . 0 0 "[ . 1 . 2]" 1
614 1 31 LYS H 1 169 LEU H 5.650 . 6.210 4.953 4.533 5.236 . 0 0 "[ . 1 . 2]" 1
615 1 23 VAL H 1 24 ASP H 4.570 . 5.030 4.409 4.264 4.536 . 0 0 "[ . 1 . 2]" 1
616 1 161 VAL H 1 162 ASP H 4.510 . 4.960 4.062 3.765 4.319 . 0 0 "[ . 1 . 2]" 1
617 1 110 LYS H 1 111 ALA H 3.460 . 3.810 2.805 1.989 3.585 . 0 0 "[ . 1 . 2]" 1
618 1 51 ALA H 1 52 GLU H 4.340 . 4.770 3.574 2.381 4.636 . 0 0 "[ . 1 . 2]" 1
619 1 148 ALA H 1 149 GLU H 4.720 . 5.190 3.862 2.539 4.611 . 0 0 "[ . 1 . 2]" 1
620 1 85 ALA H 1 87 MET H 4.600 . 5.060 4.451 4.018 4.968 . 0 0 "[ . 1 . 2]" 1
621 1 160 ASP H 1 161 VAL H 4.380 . 4.820 4.299 3.952 4.456 . 0 0 "[ . 1 . 2]" 1
622 1 67 GLY H 1 69 ASP H 6.040 . 6.640 6.240 5.686 6.674 0.034 2 0 "[ . 1 . 2]" 1
623 1 7 ILE H 1 8 PHE H 3.520 . 3.870 2.657 2.378 3.011 . 0 0 "[ . 1 . 2]" 1
624 1 74 HIS H 1 76 LEU H 4.220 . 4.640 4.117 3.906 4.422 . 0 0 "[ . 1 . 2]" 1
625 1 74 HIS H 1 75 LYS H 3.780 . 4.160 2.280 1.954 2.507 . 0 0 "[ . 1 . 2]" 1
626 1 102 HIS H 1 103 MET H 3.160 . 3.480 2.669 2.537 2.923 . 0 0 "[ . 1 . 2]" 1
627 1 149 GLU H 1 150 ASN H 4.460 . 4.910 3.765 2.492 4.619 . 0 0 "[ . 1 . 2]" 1
628 1 2 LEU H 1 16 ASP H 4.430 . 4.500 3.732 3.269 4.329 . 0 0 "[ . 1 . 2]" 1
629 1 111 ALA H 1 113 VAL H 4.670 . 5.140 4.281 4.048 4.631 . 0 0 "[ . 1 . 2]" 1
630 1 113 VAL H 1 116 PHE H 5.270 . 5.800 4.661 4.358 4.872 . 0 0 "[ . 1 . 2]" 1
631 1 122 GLY H 1 125 VAL H 4.840 . 5.320 4.903 4.686 5.032 . 0 0 "[ . 1 . 2]" 1
632 1 53 GLU H 1 54 GLY H 3.990 . 4.390 3.232 1.974 4.381 . 0 0 "[ . 1 . 2]" 1
633 1 131 ASP H 1 133 PHE H 4.390 . 4.830 3.801 3.558 4.326 . 0 0 "[ . 1 . 2]" 1
634 1 50 SER H 1 51 ALA H 4.570 . 5.030 3.783 2.633 4.609 . 0 0 "[ . 1 . 2]" 1
635 1 104 GLU H 1 106 ASN H 4.270 . 4.700 4.065 3.669 4.290 . 0 0 "[ . 1 . 2]" 1
636 1 60 SER H 1 61 ASP H 4.520 . 4.970 3.511 1.891 4.646 . 0 0 "[ . 1 . 2]" 1
637 1 105 LYS H 1 108 ARG H 5.190 . 5.710 4.885 4.380 5.532 . 0 0 "[ . 1 . 2]" 1
638 1 125 VAL H 1 128 LEU H 5.070 . 5.580 4.764 4.595 4.914 . 0 0 "[ . 1 . 2]" 1
639 1 73 ASN H 1 75 LYS H 3.660 . 4.030 3.846 3.589 4.085 0.055 18 0 "[ . 1 . 2]" 1
640 1 117 LYS H 1 120 ILE H 5.610 . 6.170 4.741 4.607 4.876 . 0 0 "[ . 1 . 2]" 1
641 1 117 LYS H 1 118 LYS H 3.540 . 3.890 2.660 2.530 2.822 . 0 0 "[ . 1 . 2]" 1
642 1 97 LYS H 1 98 ASN H 2.960 . 3.260 2.693 2.531 2.859 . 0 0 "[ . 1 . 2]" 1
643 1 97 LYS H 1 99 VAL H 4.480 . 4.930 4.428 4.204 4.650 . 0 0 "[ . 1 . 2]" 1
644 1 103 MET H 1 104 GLU H 3.580 . 3.940 2.648 2.429 2.907 . 0 0 "[ . 1 . 2]" 1
645 1 110 LYS H 1 112 ASP H 4.580 . 5.040 3.962 3.251 4.392 . 0 0 "[ . 1 . 2]" 1
646 1 100 ILE H 1 101 ASP H 3.600 . 3.960 2.572 2.486 2.657 . 0 0 "[ . 1 . 2]" 1
647 1 103 MET H 1 105 LYS H 4.160 . 4.580 4.234 3.853 4.757 0.177 13 0 "[ . 1 . 2]" 1
648 1 56 GLU H 1 57 ASP H 3.880 . 4.270 3.556 2.074 4.386 0.116 3 0 "[ . 1 . 2]" 1
649 1 28 TYR H 1 29 GLU H 4.640 . 5.100 4.371 4.266 4.527 . 0 0 "[ . 1 . 2]" 1
650 1 38 LYS H 1 41 GLU H 4.100 . 4.510 3.809 2.882 4.650 0.140 1 0 "[ . 1 . 2]" 1
651 1 94 LYS H 1 97 LYS H 4.940 . 5.430 4.963 4.683 5.116 . 0 0 "[ . 1 . 2]" 1
652 1 121 GLN H 1 123 TRP H 4.160 . 4.580 4.107 3.901 4.340 . 0 0 "[ . 1 . 2]" 1
653 1 70 ILE H 1 73 ASN H 4.820 . 5.300 4.894 4.604 5.086 . 0 0 "[ . 1 . 2]" 1
654 1 36 VAL H 1 37 ARG H 4.530 . 4.980 4.341 3.952 4.598 . 0 0 "[ . 1 . 2]" 1
655 1 52 GLU H 1 53 GLU H 3.900 . 4.290 3.229 1.909 4.443 0.153 7 0 "[ . 1 . 2]" 1
656 1 36 VAL H 1 67 GLY H 5.320 . 5.850 5.056 4.825 5.378 . 0 0 "[ . 1 . 2]" 1
657 1 115 ALA H 1 118 LYS H 5.460 . 6.010 4.719 4.528 5.086 . 0 0 "[ . 1 . 2]" 1
658 1 88 PHE H 1 91 TYR H 4.870 . 5.360 4.666 4.413 4.866 . 0 0 "[ . 1 . 2]" 1
659 1 118 LYS H 1 120 ILE H 4.410 . 4.850 4.185 3.803 4.428 . 0 0 "[ . 1 . 2]" 1
660 1 120 ILE H 1 123 TRP H 4.880 . 5.370 4.595 4.470 4.835 . 0 0 "[ . 1 . 2]" 1
661 1 144 ALA H 1 145 ALA H 4.280 . 4.710 2.600 2.401 2.858 . 0 0 "[ . 1 . 2]" 1
662 1 21 LYS H 1 22 LEU H 4.260 . 4.690 4.196 3.702 4.486 . 0 0 "[ . 1 . 2]" 1
663 1 149 GLU H 1 151 GLY H 5.060 . 5.570 4.993 4.058 5.684 0.114 5 0 "[ . 1 . 2]" 1
664 1 143 ARG H 1 145 ALA H 4.160 . 4.580 4.068 3.770 4.426 . 0 0 "[ . 1 . 2]" 1
665 1 108 ARG H 1 109 ASP H 5.080 . 5.590 2.799 1.749 3.115 0.051 13 0 "[ . 1 . 2]" 1
666 1 42 ILE H 1 43 VAL H 4.400 . 4.840 3.751 1.888 4.539 . 0 0 "[ . 1 . 2]" 1
667 1 31 LYS H 1 32 GLY H 5.060 . 5.570 4.525 4.114 4.673 . 0 0 "[ . 1 . 2]" 1
668 1 55 ALA H 1 56 GLU H 3.790 . 4.170 3.316 2.372 4.266 0.096 5 0 "[ . 1 . 2]" 1
669 1 38 LYS H 1 40 GLY H 5.080 . 5.590 4.646 3.866 5.150 . 0 0 "[ . 1 . 2]" 1
670 1 37 ARG H 1 67 GLY H 4.920 . 5.410 4.614 3.697 5.442 0.032 8 0 "[ . 1 . 2]" 1
671 1 180 LYS H 1 181 CYS H 4.730 . 5.200 4.311 4.073 4.651 . 0 0 "[ . 1 . 2]" 1
672 1 144 ALA H 1 146 GLU H 4.940 . 5.430 4.059 3.736 4.488 . 0 0 "[ . 1 . 2]" 1
673 1 22 LEU H 1 29 GLU H 5.220 . 5.740 4.814 4.589 5.137 . 0 0 "[ . 1 . 2]" 1
674 1 164 THR H 1 165 GLU H 4.440 . 4.880 4.403 4.142 4.565 . 0 0 "[ . 1 . 2]" 1
675 1 36 VAL H 1 44 LEU H 5.280 . 5.810 4.733 3.471 5.811 0.001 17 0 "[ . 1 . 2]" 1
676 1 160 ASP H 1 166 VAL H 5.260 . 5.790 4.748 4.300 5.042 . 0 0 "[ . 1 . 2]" 1
677 1 112 ASP H 1 115 ALA H 4.720 . 5.190 4.632 4.328 4.920 . 0 0 "[ . 1 . 2]" 1
678 1 93 LYS H 1 96 MET H 5.020 . 5.520 4.876 4.659 5.035 . 0 0 "[ . 1 . 2]" 1
679 1 123 TRP H 1 126 SER H 4.970 . 5.470 4.875 4.585 4.976 . 0 0 "[ . 1 . 2]" 1
680 1 114 ASP H 1 118 LYS H 6.190 . 6.810 6.010 5.782 6.292 . 0 0 "[ . 1 . 2]" 1
681 1 23 VAL H 1 29 GLU H 5.020 . 5.520 3.890 3.389 4.456 . 0 0 "[ . 1 . 2]" 1
682 1 29 GLU H 1 171 LEU H 5.390 . 5.930 5.164 4.902 5.370 . 0 0 "[ . 1 . 2]" 1
683 1 103 MET H 1 106 ASN H 5.480 . 6.030 5.068 4.658 5.522 . 0 0 "[ . 1 . 2]" 1
684 1 132 ARG H 1 135 ASN H 5.740 . 6.310 5.816 5.054 6.390 0.080 7 0 "[ . 1 . 2]" 1
685 1 93 LYS H 1 94 LYS H 3.040 . 3.340 2.773 2.632 2.899 . 0 0 "[ . 1 . 2]" 1
686 1 95 PHE H 1 97 LYS H 5.100 . 5.610 4.433 4.051 4.734 . 0 0 "[ . 1 . 2]" 1
687 1 95 PHE H 1 98 ASN H 5.740 . 6.310 4.760 4.612 4.844 . 0 0 "[ . 1 . 2]" 1
688 1 95 PHE H 1 96 MET H 4.850 . 5.330 3.027 2.819 3.170 . 0 0 "[ . 1 . 2]" 1
689 1 35 VAL H 1 68 ILE H 5.280 . 5.810 4.762 4.530 5.035 . 0 0 "[ . 1 . 2]" 1
690 1 100 ILE H 1 102 HIS H 4.000 . 4.400 3.995 3.743 4.299 . 0 0 "[ . 1 . 2]" 1
691 1 6 ASP H 1 11 ASP H 5.030 . 5.530 4.666 3.451 5.592 0.062 12 0 "[ . 1 . 2]" 1
692 1 3 ILE H 1 181 CYS H 4.980 . 5.480 3.876 3.215 4.849 . 0 0 "[ . 1 . 2]" 1
693 1 37 ARG H 1 38 LYS H 4.510 . 4.960 4.140 3.855 4.472 . 0 0 "[ . 1 . 2]" 1
694 1 39 GLU H 1 41 GLU H 4.670 . 5.140 4.586 4.139 5.059 . 0 0 "[ . 1 . 2]" 1
695 1 44 LEU H 1 45 ALA H 4.540 . 4.990 3.371 2.204 4.644 . 0 0 "[ . 1 . 2]" 1
696 1 181 CYS H 1 182 LEU H 4.630 . 5.090 3.973 3.591 4.175 . 0 0 "[ . 1 . 2]" 1
697 1 177 ILE H 1 178 GLU H 4.370 . 4.810 4.138 3.973 4.265 . 0 0 "[ . 1 . 2]" 1
698 1 157 GLU H 1 169 LEU H 5.740 . 6.310 5.068 4.920 5.407 . 0 0 "[ . 1 . 2]" 1
699 1 169 LEU H 1 170 MET H 6.010 . 6.610 4.460 4.320 4.597 . 0 0 "[ . 1 . 2]" 1
700 1 3 ILE H 1 4 TYR H 5.530 . 6.080 4.327 4.119 4.497 . 0 0 "[ . 1 . 2]" 1
701 1 156 ILE MD 1 169 LEU MD2 4.620 . 5.080 3.430 2.940 4.031 . 0 0 "[ . 1 . 2]" 1
702 1 35 VAL MG2 1 36 VAL MG2 5.540 . 6.090 4.895 4.110 5.308 . 0 0 "[ . 1 . 2]" 1
703 1 7 ILE MD 1 99 VAL MG2 5.690 . 6.260 5.353 4.067 6.145 . 0 0 "[ . 1 . 2]" 1
704 1 27 VAL MG2 1 172 VAL MG2 3.920 . 4.310 3.372 2.632 3.799 . 0 0 "[ . 1 . 2]" 1
705 1 71 VAL MG2 1 76 LEU MD2 4.840 . 5.320 4.413 4.133 4.927 . 0 0 "[ . 1 . 2]" 1
706 1 71 VAL MG2 1 72 LEU MD2 5.040 . 5.540 4.507 4.006 5.113 . 0 0 "[ . 1 . 2]" 1
707 1 26 LEU MD2 1 27 VAL MG1 4.750 . 5.220 4.610 4.327 4.880 . 0 0 "[ . 1 . 2]" 1
708 1 27 VAL MG1 1 172 VAL MG2 5.370 . 5.910 4.546 4.058 4.826 . 0 0 "[ . 1 . 2]" 1
709 1 99 VAL MG1 1 172 VAL MG2 3.720 . 4.090 3.457 2.273 4.126 0.036 8 0 "[ . 1 . 2]" 1
710 1 27 VAL MG1 1 171 LEU MD2 5.010 . 5.510 5.038 4.673 5.447 . 0 0 "[ . 1 . 2]" 1
711 1 26 LEU MD1 1 27 VAL MG2 4.350 . 4.790 3.608 3.351 3.898 . 0 0 "[ . 1 . 2]" 1
712 1 26 LEU MD1 1 120 ILE MD 4.090 . 4.500 2.304 1.965 2.943 . 0 0 "[ . 1 . 2]" 1
713 1 35 VAL MG1 1 72 LEU MD1 4.180 . 4.600 4.284 4.156 4.566 . 0 0 "[ . 1 . 2]" 1
714 1 35 VAL MG1 1 36 VAL MG1 5.160 . 5.680 4.998 4.779 5.365 . 0 0 "[ . 1 . 2]" 1
715 1 92 ILE MD 1 153 VAL MG1 5.820 . 6.400 4.656 3.187 6.117 . 0 0 "[ . 1 . 2]" 1
716 1 153 VAL MG1 1 156 ILE MD 6.350 . 6.980 5.700 5.282 6.047 . 0 0 "[ . 1 . 2]" 1
717 1 22 LEU MD1 1 23 VAL MG1 4.070 . 4.480 3.840 3.683 4.045 . 0 0 "[ . 1 . 2]" 1
718 1 68 ILE MD 1 71 VAL MG1 5.060 . 5.570 4.636 3.968 5.440 . 0 0 "[ . 1 . 2]" 1
719 1 127 LEU MD1 1 136 LEU MD2 4.400 . 4.840 2.393 1.919 2.825 . 0 0 "[ . 1 . 2]" 1
720 1 99 VAL MG1 1 120 ILE MD 4.860 . 5.350 4.136 3.147 4.883 . 0 0 "[ . 1 . 2]" 1
721 1 124 VAL MG2 1 125 VAL MG1 4.630 . 5.090 3.555 2.259 4.701 . 0 0 "[ . 1 . 2]" 1
722 1 120 ILE MD 1 124 VAL MG2 4.570 . 5.030 4.403 3.968 4.980 . 0 0 "[ . 1 . 2]" 1
723 1 70 ILE MD 1 169 LEU MD1 4.280 . 4.710 3.781 3.357 4.487 . 0 0 "[ . 1 . 2]" 1
724 1 70 ILE MD 1 156 ILE MD 4.530 . 4.980 2.725 1.967 3.889 . 0 0 "[ . 1 . 2]" 1
725 1 124 VAL MG1 1 172 VAL MG1 4.970 . 5.470 5.338 4.942 5.519 0.049 13 0 "[ . 1 . 2]" 1
726 1 155 ILE MD 1 171 LEU MD2 5.310 . 5.840 4.057 3.143 4.789 . 0 0 "[ . 1 . 2]" 1
727 1 92 ILE MD 1 155 ILE MD 4.750 . 5.220 3.217 2.685 3.836 . 0 0 "[ . 1 . 2]" 1
728 1 120 ILE MD 1 172 VAL MG2 3.620 . 3.980 1.975 1.782 2.207 0.018 11 0 "[ . 1 . 2]" 1
729 1 120 ILE MD 1 124 VAL MG1 4.090 . 4.500 3.041 2.507 3.771 . 0 0 "[ . 1 . 2]" 1
730 1 27 VAL MG1 1 120 ILE MD 4.610 . 5.070 4.996 4.673 5.244 0.174 11 0 "[ . 1 . 2]" 1
731 1 140 ILE MD 1 153 VAL MG2 4.490 . 4.940 3.959 2.381 4.970 0.030 14 0 "[ . 1 . 2]" 1
732 1 42 ILE MD 1 44 LEU MD2 4.280 . 4.710 2.898 1.805 4.762 0.052 7 0 "[ . 1 . 2]" 1
733 1 35 VAL MG1 1 42 ILE MD 4.250 . 4.680 3.157 2.287 4.674 . 0 0 "[ . 1 . 2]" 1
734 1 36 VAL MG1 1 42 ILE MD 4.870 . 5.360 4.716 3.509 5.399 0.039 16 0 "[ . 1 . 2]" 1
735 1 35 VAL MG2 1 42 ILE MD 4.740 . 5.210 3.562 2.510 4.941 . 0 0 "[ . 1 . 2]" 1
736 1 171 LEU MD2 1 176 ILE MD 4.560 . 5.020 3.469 1.808 4.317 . 0 0 "[ . 1 . 2]" 1
737 1 92 ILE MD 1 128 LEU MD2 4.600 . 5.060 2.835 2.255 3.421 . 0 0 "[ . 1 . 2]" 1
738 1 92 ILE MD 1 127 LEU MD2 6.280 . 6.910 4.103 3.202 5.145 . 0 0 "[ . 1 . 2]" 1
739 1 92 ILE MD 1 153 VAL MG2 6.500 . 7.150 4.236 3.095 5.261 . 0 0 "[ . 1 . 2]" 1
740 1 92 ILE MD 1 120 ILE MD 5.790 . 6.370 5.584 4.253 6.214 . 0 0 "[ . 1 . 2]" 1
741 1 124 VAL MG1 1 127 LEU MD2 4.440 . 4.880 3.222 2.899 3.951 . 0 0 "[ . 1 . 2]" 1
742 1 36 VAL MG1 1 44 LEU MD1 4.870 . 5.360 4.404 2.652 5.425 0.065 16 0 "[ . 1 . 2]" 1
743 1 42 ILE MD 1 44 LEU MD1 4.650 . 5.120 3.934 2.504 5.248 0.128 20 0 "[ . 1 . 2]" 1
744 1 169 LEU MD2 1 171 LEU MD1 3.100 . 3.410 2.279 1.884 2.852 . 0 0 "[ . 1 . 2]" 1
745 1 169 LEU MD2 1 171 LEU MD2 4.360 . 4.800 3.697 2.293 4.667 . 0 0 "[ . 1 . 2]" 1
746 1 42 ILE MD 1 72 LEU MD1 5.690 . 6.260 4.555 3.115 6.010 . 0 0 "[ . 1 . 2]" 1
747 1 153 VAL MG1 1 169 LEU MD1 5.220 . 5.740 5.081 4.770 5.605 . 0 0 "[ . 1 . 2]" 1
748 1 68 ILE MD 1 76 LEU MD1 4.640 . 5.100 4.426 3.976 4.981 . 0 0 "[ . 1 . 2]" 1
749 1 68 ILE MD 1 169 LEU MD1 5.200 . 5.720 4.490 3.685 5.218 . 0 0 "[ . 1 . 2]" 1
750 1 35 VAL MG1 1 44 LEU MD2 3.960 . 4.360 2.500 1.768 3.878 0.032 20 0 "[ . 1 . 2]" 1
751 1 36 VAL MG1 1 44 LEU MD2 4.380 . 4.820 4.480 1.736 5.070 0.250 9 0 "[ . 1 . 2]" 1
752 1 71 VAL MG1 1 76 LEU MD2 4.700 . 5.170 4.383 4.027 4.654 . 0 0 "[ . 1 . 2]" 1
753 1 35 VAL MG2 1 44 LEU MD2 5.480 . 6.030 4.343 2.916 5.328 . 0 0 "[ . 1 . 2]" 1
754 1 127 LEU MD1 1 128 LEU MD2 5.540 . 6.090 4.640 4.055 5.078 . 0 0 "[ . 1 . 2]" 1
755 1 127 LEU MD2 1 128 LEU MD2 4.720 . 5.190 3.489 2.660 4.025 . 0 0 "[ . 1 . 2]" 1
756 1 2 LEU MD2 1 182 LEU MD2 4.110 . 4.520 3.669 2.046 4.646 0.126 9 0 "[ . 1 . 2]" 1
757 1 13 LEU MD2 1 176 ILE MD 4.670 . 5.140 3.308 2.216 5.145 0.005 9 0 "[ . 1 . 2]" 1
758 1 71 VAL MG1 1 72 LEU MD2 3.730 . 4.100 2.662 2.025 3.282 . 0 0 "[ . 1 . 2]" 1
759 1 35 VAL MG2 1 72 LEU MD2 4.320 . 4.750 4.264 4.066 4.569 . 0 0 "[ . 1 . 2]" 1
760 1 36 VAL MG2 1 44 LEU MD1 4.900 . 5.390 3.862 1.866 5.154 . 0 0 "[ . 1 . 2]" 1
761 1 64 VAL MG1 1 72 LEU MD2 6.120 . 6.730 4.664 1.844 6.021 . 0 0 "[ . 1 . 2]" 1
762 1 35 VAL MG1 1 36 VAL MG2 5.320 . 5.850 4.921 4.343 5.296 . 0 0 "[ . 1 . 2]" 1
763 1 125 VAL MG1 1 128 LEU MD1 5.650 . 6.210 4.735 3.113 6.042 . 0 0 "[ . 1 . 2]" 1
764 1 35 VAL MG2 1 36 VAL MG1 4.620 . 5.080 4.636 4.483 4.985 . 0 0 "[ . 1 . 2]" 1
765 1 76 LEU MD1 1 77 VAL MG1 5.550 . 6.110 5.731 5.418 6.032 . 0 0 "[ . 1 . 2]" 1
766 1 77 VAL MG1 1 140 ILE MD 3.700 . 4.070 3.420 1.980 4.207 0.137 10 0 "[ . 1 . 2]" 1
767 1 156 ILE MD 1 169 LEU H 4.430 . 4.870 3.728 3.456 4.213 . 0 0 "[ . 1 . 2]" 1
768 1 71 VAL H 1 156 ILE MD 4.770 . 5.250 4.561 4.116 4.921 . 0 0 "[ . 1 . 2]" 1
769 1 35 VAL MG2 1 37 ARG H 5.230 . 5.750 4.585 3.687 5.487 . 0 0 "[ . 1 . 2]" 1
770 1 35 VAL MG2 1 67 GLY H 4.210 . 4.630 4.158 3.634 4.524 . 0 0 "[ . 1 . 2]" 1
771 1 22 LEU MD1 1 26 LEU H 3.520 . 3.870 3.152 2.563 3.597 . 0 0 "[ . 1 . 2]" 1
772 1 26 LEU MD1 1 116 PHE H 5.780 . 6.360 5.726 5.209 6.183 . 0 0 "[ . 1 . 2]" 1
773 1 35 VAL MG1 1 69 ASP H 3.920 . 4.310 3.965 3.462 4.338 0.028 2 0 "[ . 1 . 2]" 1
774 1 23 VAL MG1 1 28 TYR H 4.350 . 4.790 4.613 4.008 4.833 0.043 11 0 "[ . 1 . 2]" 1
775 1 71 VAL MG1 1 77 VAL H 4.190 . 4.610 4.590 4.145 4.708 0.098 18 0 "[ . 1 . 2]" 1
776 1 71 VAL MG1 1 72 LEU H 3.980 . 4.380 3.325 3.085 3.828 . 0 0 "[ . 1 . 2]" 1
777 1 71 VAL MG1 1 140 ILE H 5.650 . 6.210 5.606 5.022 5.941 . 0 0 "[ . 1 . 2]" 1
778 1 127 LEU H 1 127 LEU MD2 4.250 . 4.680 4.277 4.235 4.324 . 0 0 "[ . 1 . 2]" 1
779 1 99 VAL MG1 1 102 HIS H 5.790 . 6.370 5.239 4.880 5.505 . 0 0 "[ . 1 . 2]" 1
780 1 99 VAL MG1 1 103 MET H 6.210 . 6.830 5.724 5.333 5.994 . 0 0 "[ . 1 . 2]" 1
781 1 22 LEU MD2 1 23 VAL H 4.530 . 4.980 4.621 4.185 4.970 . 0 0 "[ . 1 . 2]" 1
782 1 22 LEU MD2 1 26 LEU H 4.210 . 4.630 4.300 3.405 4.673 0.043 7 0 "[ . 1 . 2]" 1
783 1 124 VAL H 1 124 VAL MG2 3.040 . 3.340 2.178 2.099 2.257 . 0 0 "[ . 1 . 2]" 1
784 1 124 VAL MG2 1 125 VAL H 3.550 . 3.900 2.298 2.156 2.595 . 0 0 "[ . 1 . 2]" 1
785 1 125 VAL H 1 125 VAL MG2 3.750 . 4.130 2.821 2.170 3.858 . 0 0 "[ . 1 . 2]" 1
786 1 121 GLN HE21 1 125 VAL MG2 4.910 . 5.400 3.746 2.241 5.491 0.091 12 0 "[ . 1 . 2]" 1
787 1 70 ILE H 1 70 ILE MD 3.870 . 4.260 3.434 2.967 3.622 . 0 0 "[ . 1 . 2]" 1
788 1 155 ILE H 1 155 ILE MD 4.210 . 4.630 3.733 3.509 3.940 . 0 0 "[ . 1 . 2]" 1
789 1 120 ILE MD 1 123 TRP H 5.140 . 5.650 4.599 4.035 5.073 . 0 0 "[ . 1 . 2]" 1
790 1 120 ILE MD 1 172 VAL H 5.420 . 5.960 4.885 4.194 5.510 . 0 0 "[ . 1 . 2]" 1
791 1 120 ILE H 1 120 ILE MD 4.180 . 4.600 3.964 3.399 4.232 . 0 0 "[ . 1 . 2]" 1
792 1 120 ILE MD 1 124 VAL H 4.690 . 5.160 4.333 3.814 4.995 . 0 0 "[ . 1 . 2]" 1
793 1 68 ILE MD 1 71 VAL H 4.360 . 4.800 3.338 2.990 3.982 . 0 0 "[ . 1 . 2]" 1
794 1 42 ILE H 1 42 ILE MD 4.530 . 4.980 4.498 3.933 5.015 0.035 8 0 "[ . 1 . 2]" 1
795 1 6 ASP H 1 176 ILE MD 4.220 . 4.640 3.893 3.034 4.492 . 0 0 "[ . 1 . 2]" 1
796 1 92 ILE MD 1 95 PHE H 5.110 . 5.620 4.910 4.646 5.610 . 0 0 "[ . 1 . 2]" 1
797 1 92 ILE MD 1 96 MET H 4.390 . 4.830 4.753 4.343 4.960 0.130 15 0 "[ . 1 . 2]" 1
798 1 169 LEU MD2 1 170 MET H 4.430 . 4.870 4.720 4.338 4.982 0.112 5 0 "[ . 1 . 2]" 1
799 1 76 LEU MD1 1 154 ALA H 5.380 . 5.920 4.520 4.137 5.365 . 0 0 "[ . 1 . 2]" 1
800 1 72 LEU H 1 76 LEU MD1 5.270 . 5.800 5.254 4.954 5.819 0.019 11 0 "[ . 1 . 2]" 1
801 1 71 VAL H 1 76 LEU MD1 4.110 . 4.520 3.998 3.563 4.477 . 0 0 "[ . 1 . 2]" 1
802 1 44 LEU H 1 44 LEU MD2 3.690 . 4.060 3.267 1.765 4.004 0.035 2 0 "[ . 1 . 2]" 1
803 1 76 LEU MD2 1 77 VAL H 4.030 . 4.430 3.759 3.482 3.970 . 0 0 "[ . 1 . 2]" 1
804 1 75 LYS H 1 76 LEU MD2 4.500 . 4.950 4.662 4.065 5.040 0.090 12 0 "[ . 1 . 2]" 1
805 1 127 LEU H 1 128 LEU MD2 4.860 . 5.350 4.926 4.632 5.235 . 0 0 "[ . 1 . 2]" 1
806 1 161 VAL H 1 161 VAL MG2 3.880 . 4.270 3.919 3.843 3.998 . 0 0 "[ . 1 . 2]" 1
807 1 161 VAL MG2 1 164 THR H 4.690 . 5.160 4.721 4.418 5.069 . 0 0 "[ . 1 . 2]" 1
808 1 121 GLN HE22 1 125 VAL MG1 4.910 . 5.400 3.692 2.435 5.537 0.137 10 0 "[ . 1 . 2]" 1
809 1 36 VAL H 1 36 VAL MG1 3.040 . 3.340 2.854 2.267 3.240 . 0 0 "[ . 1 . 2]" 1
810 1 35 VAL H 1 36 VAL MG1 4.700 . 5.170 4.490 3.995 5.061 . 0 0 "[ . 1 . 2]" 1
811 1 22 LEU H 1 22 LEU MD2 4.620 . 5.080 4.500 4.305 4.651 . 0 0 "[ . 1 . 2]" 1
812 1 125 VAL H 1 125 VAL MG1 3.750 . 4.130 2.771 2.223 3.846 . 0 0 "[ . 1 . 2]" 1
813 1 22 LEU MD1 1 173 LYS H 4.570 . 5.030 4.083 3.602 4.740 . 0 0 "[ . 1 . 2]" 1
814 1 27 VAL MG1 1 173 LYS H 4.270 . 4.700 4.612 4.197 4.820 0.120 9 0 "[ . 1 . 2]" 1
815 1 122 GLY H 1 124 VAL MG2 4.260 . 4.690 4.416 4.266 4.603 . 0 0 "[ . 1 . 2]" 1
816 1 67 GLY H 1 72 LEU MD2 3.520 . 3.870 3.583 3.105 3.968 0.098 20 0 "[ . 1 . 2]" 1
817 1 71 VAL H 1 72 LEU MD2 4.890 . 5.380 4.744 4.347 5.052 . 0 0 "[ . 1 . 2]" 1
818 1 71 VAL H 1 71 VAL MG2 3.470 . 3.820 2.293 2.142 2.600 . 0 0 "[ . 1 . 2]" 1
819 1 76 LEU MD1 1 140 ILE H 4.450 . 4.890 4.633 4.163 4.908 0.018 7 0 "[ . 1 . 2]" 1
820 1 76 LEU MD2 1 140 ILE H 4.260 . 4.690 4.179 3.517 4.826 0.136 9 0 "[ . 1 . 2]" 1
821 1 32 GLY H 1 70 ILE MD 3.810 . 4.190 3.041 1.794 3.988 0.006 14 0 "[ . 1 . 2]" 1
822 1 154 ALA H 1 169 LEU MD1 4.610 . 5.070 4.500 4.289 4.747 . 0 0 "[ . 1 . 2]" 1
823 1 153 VAL MG2 1 154 ALA H 4.050 . 4.460 4.062 3.900 4.339 . 0 0 "[ . 1 . 2]" 1
824 1 42 ILE MD 1 43 VAL H 4.580 . 5.040 3.981 2.470 5.083 0.043 16 0 "[ . 1 . 2]" 1
825 1 134 LYS H 1 136 LEU MD1 4.980 . 5.480 5.252 4.850 5.476 . 0 0 "[ . 1 . 2]" 1
826 1 124 VAL MG2 1 126 SER H 4.230 . 4.650 4.465 4.330 4.638 . 0 0 "[ . 1 . 2]" 1
827 1 125 VAL MG1 1 126 SER H 4.150 . 4.570 3.294 2.289 4.127 . 0 0 "[ . 1 . 2]" 1
828 1 128 LEU H 1 128 LEU MD2 3.640 . 4.000 3.386 3.137 3.608 . 0 0 "[ . 1 . 2]" 1
829 1 124 VAL MG1 1 128 LEU H 4.900 . 5.390 5.406 5.104 5.511 0.121 13 0 "[ . 1 . 2]" 1
830 1 26 LEU H 1 26 LEU MD2 5.080 . 5.590 4.492 4.336 4.646 . 0 0 "[ . 1 . 2]" 1
831 1 172 VAL MG1 1 174 GLU H 3.820 . 4.200 2.852 2.025 3.565 . 0 0 "[ . 1 . 2]" 1
832 1 120 ILE MD 1 174 GLU H 4.720 . 5.190 5.040 4.305 5.315 0.125 20 0 "[ . 1 . 2]" 1
833 1 75 LYS H 1 76 LEU MD1 4.640 . 5.100 5.073 4.961 5.187 0.087 18 0 "[ . 1 . 2]" 1
834 1 71 VAL MG1 1 75 LYS H 3.980 . 4.380 4.222 3.860 4.484 0.104 7 0 "[ . 1 . 2]" 1
835 1 140 ILE MD 1 146 GLU H 4.940 . 5.430 5.065 4.618 5.524 0.094 10 0 "[ . 1 . 2]" 1
836 1 124 VAL MG1 1 125 VAL H 4.030 . 4.430 4.131 4.070 4.193 . 0 0 "[ . 1 . 2]" 1
837 1 33 LYS H 1 35 VAL MG1 4.240 . 4.660 4.349 3.849 4.762 0.102 6 0 "[ . 1 . 2]" 1
838 1 33 LYS H 1 70 ILE MD 4.510 . 4.960 4.452 4.149 4.833 . 0 0 "[ . 1 . 2]" 1
839 1 72 LEU MD1 1 73 ASN H 5.030 . 5.530 4.657 4.290 4.945 . 0 0 "[ . 1 . 2]" 1
840 1 72 LEU MD2 1 73 ASN H 4.870 . 5.360 4.642 4.452 4.850 . 0 0 "[ . 1 . 2]" 1
841 1 26 LEU MD1 1 117 LYS H 5.510 . 6.060 5.743 5.120 6.105 0.045 7 0 "[ . 1 . 2]" 1
842 1 113 VAL MG1 1 117 LYS H 5.070 . 5.580 5.414 5.205 5.644 0.064 1 0 "[ . 1 . 2]" 1
843 1 113 VAL MG2 1 117 LYS H 5.380 . 5.920 4.977 4.758 5.166 . 0 0 "[ . 1 . 2]" 1
844 1 72 LEU H 1 72 LEU MD2 3.810 . 4.190 3.064 2.739 3.478 . 0 0 "[ . 1 . 2]" 1
845 1 97 LYS H 1 99 VAL MG2 4.400 . 4.840 4.415 4.181 4.633 . 0 0 "[ . 1 . 2]" 1
846 1 97 LYS H 1 100 ILE MD 4.810 . 5.290 4.794 4.275 5.249 . 0 0 "[ . 1 . 2]" 1
847 1 171 LEU H 1 171 LEU MD1 4.820 . 5.300 4.312 4.127 4.576 . 0 0 "[ . 1 . 2]" 1
848 1 104 GLU H 1 113 VAL MG1 4.310 . 4.740 3.290 2.596 3.842 . 0 0 "[ . 1 . 2]" 1
849 1 112 ASP H 1 113 VAL MG1 4.630 . 5.090 4.131 3.895 4.607 . 0 0 "[ . 1 . 2]" 1
850 1 112 ASP H 1 113 VAL MG2 3.280 . 3.610 3.661 3.588 3.714 0.104 10 0 "[ . 1 . 2]" 1
851 1 99 VAL MG2 1 101 ASP H 4.360 . 4.800 4.434 4.337 4.649 . 0 0 "[ . 1 . 2]" 1
852 1 113 VAL MG1 1 116 PHE H 5.390 . 5.930 5.029 4.634 5.345 . 0 0 "[ . 1 . 2]" 1
853 1 113 VAL MG2 1 116 PHE H 5.210 . 5.730 5.111 4.898 5.281 . 0 0 "[ . 1 . 2]" 1
854 1 26 LEU MD2 1 27 VAL H 4.430 . 4.870 4.087 3.940 4.312 . 0 0 "[ . 1 . 2]" 1
855 1 76 LEU MD2 1 142 GLU H 3.960 . 4.360 3.314 2.110 4.271 . 0 0 "[ . 1 . 2]" 1
856 1 22 LEU MD1 1 29 GLU H 4.120 . 4.530 4.193 3.627 4.602 0.072 9 0 "[ . 1 . 2]" 1
857 1 99 VAL MG2 1 102 HIS H 5.200 . 5.720 5.103 4.887 5.324 . 0 0 "[ . 1 . 2]" 1
858 1 76 LEU MD1 1 139 PHE H 5.470 . 6.020 4.987 4.573 5.544 . 0 0 "[ . 1 . 2]" 1
859 1 139 PHE H 1 169 LEU MD1 5.850 . 6.430 5.246 5.063 5.492 . 0 0 "[ . 1 . 2]" 1
860 1 139 PHE H 1 153 VAL MG2 4.220 . 4.640 4.620 3.936 4.777 0.137 7 0 "[ . 1 . 2]" 1
861 1 139 PHE H 1 156 ILE MD 4.800 . 5.280 5.165 4.700 5.347 0.067 7 0 "[ . 1 . 2]" 1
862 1 62 GLU H 1 64 VAL MG2 4.320 . 4.750 4.424 2.471 4.904 0.154 7 0 "[ . 1 . 2]" 1
863 1 121 GLN H 1 124 VAL MG2 4.320 . 4.750 4.122 3.877 4.258 . 0 0 "[ . 1 . 2]" 1
864 1 35 VAL MG2 1 70 ILE H 4.770 . 5.250 4.739 4.428 5.327 0.077 2 0 "[ . 1 . 2]" 1
865 1 7 ILE MD 1 8 PHE H 4.570 . 5.030 4.424 1.996 5.183 0.153 6 0 "[ . 1 . 2]" 1
866 1 35 VAL MG1 1 36 VAL H 3.730 . 4.100 3.628 3.449 3.845 . 0 0 "[ . 1 . 2]" 1
867 1 7 ILE H 1 7 ILE MD 4.140 . 4.550 3.642 2.144 4.417 . 0 0 "[ . 1 . 2]" 1
868 1 113 VAL MG2 1 115 ALA H 4.290 . 4.720 4.486 4.155 4.780 0.060 13 0 "[ . 1 . 2]" 1
869 1 68 ILE H 1 71 VAL MG2 4.200 . 4.620 3.782 3.058 4.548 . 0 0 "[ . 1 . 2]" 1
870 1 35 VAL MG2 1 68 ILE H 5.160 . 5.680 4.844 4.462 5.308 . 0 0 "[ . 1 . 2]" 1
871 1 68 ILE H 1 68 ILE MD 4.480 . 4.930 4.005 3.736 4.524 . 0 0 "[ . 1 . 2]" 1
872 1 66 ARG H 1 72 LEU MD1 4.680 . 5.150 4.624 3.879 5.202 0.052 2 0 "[ . 1 . 2]" 1
873 1 99 VAL MG1 1 100 ILE H 4.260 . 4.690 4.019 3.954 4.161 . 0 0 "[ . 1 . 2]" 1
874 1 64 VAL MG2 1 66 ARG H 4.640 . 5.100 5.190 4.979 5.406 0.306 20 0 "[ . 1 . 2]" 1
875 1 100 ILE H 1 100 ILE MD 3.820 . 4.200 3.654 3.439 3.849 . 0 0 "[ . 1 . 2]" 1
876 1 155 ILE H 1 169 LEU MD2 5.130 . 5.640 5.191 4.836 5.721 0.081 14 0 "[ . 1 . 2]" 1
877 1 155 ILE H 1 171 LEU MD1 5.360 . 5.900 4.801 3.919 5.620 . 0 0 "[ . 1 . 2]" 1
878 1 127 LEU MD2 1 155 ILE H 5.390 . 5.930 5.577 5.124 5.854 . 0 0 "[ . 1 . 2]" 1
879 1 155 ILE H 1 156 ILE MD 4.320 . 4.750 4.327 3.804 4.578 . 0 0 "[ . 1 . 2]" 1
880 1 34 HIS H 1 35 VAL MG1 4.530 . 4.980 4.053 3.675 4.337 . 0 0 "[ . 1 . 2]" 1
881 1 77 VAL MG1 1 145 ALA H 4.380 . 4.820 3.979 3.004 4.877 0.057 14 0 "[ . 1 . 2]" 1
882 1 34 HIS H 1 35 VAL MG2 5.350 . 5.890 4.969 4.665 5.455 . 0 0 "[ . 1 . 2]" 1
883 1 140 ILE MD 1 145 ALA H 3.540 . 3.890 3.385 2.459 3.947 0.057 8 0 "[ . 1 . 2]" 1
884 1 5 LYS H 1 176 ILE MD 4.620 . 5.080 3.836 2.300 4.897 . 0 0 "[ . 1 . 2]" 1
885 1 31 LYS H 1 70 ILE MD 4.730 . 5.200 4.608 4.173 5.243 0.043 12 0 "[ . 1 . 2]" 1
886 1 172 VAL MG1 1 176 ILE H 4.530 . 4.980 3.802 3.328 4.087 . 0 0 "[ . 1 . 2]" 1
887 1 128 LEU MD1 1 129 ALA H 5.440 . 5.980 5.455 5.338 5.552 . 0 0 "[ . 1 . 2]" 1
888 1 123 TRP H 1 124 VAL MG2 3.680 . 4.050 4.049 3.879 4.136 0.086 3 0 "[ . 1 . 2]" 1
889 1 44 LEU MD1 1 45 ALA H 3.720 . 4.090 3.352 2.017 4.129 0.039 1 0 "[ . 1 . 2]" 1
890 1 44 LEU MD2 1 45 ALA H 4.630 . 5.090 4.724 3.710 5.102 0.012 17 0 "[ . 1 . 2]" 1
891 1 36 VAL MG1 1 45 ALA H 4.920 . 5.410 4.206 1.896 5.485 0.075 7 0 "[ . 1 . 2]" 1
892 1 36 VAL MG2 1 45 ALA H 5.140 . 5.650 3.880 1.847 5.155 . 0 0 "[ . 1 . 2]" 1
893 1 156 ILE MD 1 170 MET H 4.200 . 4.620 3.449 3.201 3.888 . 0 0 "[ . 1 . 2]" 1
894 1 136 LEU MD2 1 157 GLU H 3.890 . 4.280 3.844 3.341 4.182 . 0 0 "[ . 1 . 2]" 1
895 1 156 ILE MD 1 157 GLU H 4.310 . 4.740 3.769 3.552 3.981 . 0 0 "[ . 1 . 2]" 1
896 1 2 LEU MD1 1 180 LYS H 5.390 . 5.930 5.683 4.837 6.015 0.085 18 0 "[ . 1 . 2]" 1
897 1 36 VAL MG2 1 44 LEU H 3.230 . 3.550 3.303 2.258 3.641 0.091 19 0 "[ . 1 . 2]" 1
898 1 177 ILE MD 1 178 GLU H 4.030 . 4.430 3.873 3.714 4.078 . 0 0 "[ . 1 . 2]" 1
899 1 161 VAL MG1 1 162 ASP H 4.220 . 4.640 4.273 4.095 4.350 . 0 0 "[ . 1 . 2]" 1
900 1 2 LEU MD2 1 179 GLU H 4.940 . 5.430 4.669 3.698 5.493 0.063 13 0 "[ . 1 . 2]" 1
901 1 156 ILE H 1 169 LEU MD1 4.270 . 4.700 4.495 4.060 4.837 0.137 8 0 "[ . 1 . 2]" 1
902 1 136 LEU MD2 1 156 ILE H 3.900 . 4.290 3.950 3.504 4.365 0.075 2 0 "[ . 1 . 2]" 1
903 1 156 ILE H 1 156 ILE MD 4.000 . 4.400 3.578 3.239 3.705 . 0 0 "[ . 1 . 2]" 1
904 1 2 LEU H 1 2 LEU MD1 4.440 . 4.880 4.135 3.863 4.364 . 0 0 "[ . 1 . 2]" 1
905 1 136 LEU MD2 1 158 TYR H 4.150 . 4.570 3.876 2.733 4.554 . 0 0 "[ . 1 . 2]" 1
906 1 23 VAL H 1 27 VAL MG2 5.240 . 5.760 5.089 4.737 5.506 . 0 0 "[ . 1 . 2]" 1
907 1 169 LEU H 1 169 LEU MD2 4.280 . 4.710 4.312 4.266 4.359 . 0 0 "[ . 1 . 2]" 1
908 1 169 LEU H 1 169 LEU MD1 4.370 . 4.810 4.266 4.176 4.316 . 0 0 "[ . 1 . 2]" 1
909 1 26 LEU MD1 1 121 GLN H 5.560 . 6.120 5.218 4.687 5.726 . 0 0 "[ . 1 . 2]" 1
910 1 4 TYR QB 1 14 SER H 4.530 . 4.980 3.656 2.832 5.071 0.091 8 0 "[ . 1 . 2]" 1
911 1 5 LYS H 1 13 LEU QD 4.480 . 4.930 3.859 3.200 4.603 . 0 0 "[ . 1 . 2]" 1
912 1 13 LEU H 1 13 LEU QD 3.670 . 4.040 3.512 2.814 3.810 . 0 0 "[ . 1 . 2]" 1
913 1 13 LEU QD 1 14 SER H 3.820 . 4.200 3.129 2.341 3.763 . 0 0 "[ . 1 . 2]" 1
914 1 13 LEU QD 1 169 LEU MD2 4.410 . 4.850 3.269 1.982 4.777 . 0 0 "[ . 1 . 2]" 1
915 1 13 LEU QD 1 171 LEU MD1 4.380 . 4.820 2.740 1.765 4.010 0.035 3 0 "[ . 1 . 2]" 1
916 1 13 LEU QD 1 176 ILE MD 3.260 . 3.590 2.458 1.925 3.233 . 0 0 "[ . 1 . 2]" 1
917 1 13 LEU QD 1 177 ILE H 5.180 . 5.700 4.918 4.336 5.573 . 0 0 "[ . 1 . 2]" 1
918 1 18 PHE QE 1 73 ASN QD 4.610 . 5.070 3.483 1.738 4.808 0.062 4 0 "[ . 1 . 2]" 1
919 1 18 PHE HZ 1 73 ASN QD 4.770 . 5.250 3.424 1.867 5.418 0.168 7 0 "[ . 1 . 2]" 1
920 1 28 TYR QB 1 171 LEU H 4.440 . 4.880 3.653 2.983 4.108 . 0 0 "[ . 1 . 2]" 1
921 1 30 PHE QB 1 31 LYS H 3.990 . 4.390 3.830 3.525 4.042 . 0 0 "[ . 1 . 2]" 1
922 1 30 PHE QB 1 70 ILE MD 4.250 . 4.680 3.330 2.592 3.928 . 0 0 "[ . 1 . 2]" 1
923 1 30 PHE QB 1 169 LEU H 4.070 . 4.480 3.441 2.767 4.221 . 0 0 "[ . 1 . 2]" 1
924 1 80 ASN H 1 80 ASN QD 4.130 . 4.540 2.998 1.784 4.084 0.016 9 0 "[ . 1 . 2]" 1
925 1 88 PHE QB 1 89 LYS H 4.000 . 4.400 2.745 2.473 3.051 . 0 0 "[ . 1 . 2]" 1
926 1 98 ASN H 1 98 ASN QD 4.640 . 5.100 4.050 2.537 4.481 . 0 0 "[ . 1 . 2]" 1
927 1 105 LYS H 1 106 ASN QD 4.320 . 4.750 4.228 3.676 4.847 0.097 15 0 "[ . 1 . 2]" 1
928 1 106 ASN H 1 106 ASN QD 3.440 . 3.780 2.909 2.320 3.535 . 0 0 "[ . 1 . 2]" 1
929 1 106 ASN QD 1 107 ASN H 4.270 . 4.700 4.450 3.636 4.853 0.153 2 0 "[ . 1 . 2]" 1
930 1 107 ASN H 1 107 ASN QD 4.460 . 4.910 4.350 2.638 4.892 . 0 0 "[ . 1 . 2]" 1
931 1 121 GLN H 1 125 VAL QG 5.750 . 6.320 5.401 5.070 5.763 . 0 0 "[ . 1 . 2]" 1
932 1 121 GLN QE 1 125 VAL QG 3.150 . 3.470 2.589 1.773 3.495 0.027 8 0 "[ . 1 . 2]" 1
933 1 122 GLY H 1 125 VAL QG 4.660 . 5.130 4.198 3.929 4.793 . 0 0 "[ . 1 . 2]" 1
934 1 123 TRP H 1 125 VAL QG 5.130 . 5.640 4.436 4.082 5.322 . 0 0 "[ . 1 . 2]" 1
935 1 124 VAL H 1 125 VAL QG 4.150 . 4.570 4.015 3.740 4.262 . 0 0 "[ . 1 . 2]" 1
936 1 124 VAL MG1 1 125 VAL QG 4.790 . 5.270 4.780 4.402 5.246 . 0 0 "[ . 1 . 2]" 1
937 1 124 VAL MG2 1 125 VAL QG 3.590 . 3.950 2.805 2.147 3.694 . 0 0 "[ . 1 . 2]" 1
938 1 125 VAL H 1 125 VAL QG 2.750 . 3.030 2.209 1.990 2.413 . 0 0 "[ . 1 . 2]" 1
939 1 125 VAL QG 1 126 SER H 3.450 . 3.790 2.628 2.182 3.422 . 0 0 "[ . 1 . 2]" 1
940 1 125 VAL QG 1 128 LEU MD1 4.310 . 4.740 3.926 3.079 4.811 0.071 9 0 "[ . 1 . 2]" 1
941 1 135 ASN H 1 135 ASN QD 4.120 . 4.530 3.887 2.369 4.549 0.019 12 0 "[ . 1 . 2]" 1
942 1 135 ASN QD 1 136 LEU H 5.000 . 5.500 5.131 4.120 5.651 0.151 12 0 "[ . 1 . 2]" 1
943 1 150 ASN H 1 150 ASN QD 4.580 . 5.040 3.789 2.131 4.610 . 0 0 "[ . 1 . 2]" 1
944 1 152 GLN QE 1 171 LEU MD2 3.860 . 4.250 2.166 1.738 3.301 0.062 14 0 "[ . 1 . 2]" 1
945 1 152 GLN QE 1 172 VAL H 4.150 . 4.570 3.364 1.769 4.580 0.031 11 0 "[ . 1 . 2]" 1
946 1 152 GLN QE 1 172 VAL MG1 4.290 . 4.720 3.329 2.137 4.595 . 0 0 "[ . 1 . 2]" 1
947 1 152 GLN QE 1 176 ILE MD 4.530 . 4.980 3.743 1.982 5.133 0.153 14 0 "[ . 1 . 2]" 1
948 1 158 TYR H 1 158 TYR QB 3.390 . 3.730 2.739 2.323 3.167 . 0 0 "[ . 1 . 2]" 1
949 1 159 ARG H 1 166 VAL QG 3.500 . 3.850 3.147 2.786 3.720 . 0 0 "[ . 1 . 2]" 1
950 1 160 ASP H 1 166 VAL QG 3.880 . 4.270 4.155 3.335 4.599 0.329 10 0 "[ . 1 . 2]" 1
951 1 161 VAL H 1 166 VAL QG 3.270 . 3.600 3.006 2.283 3.728 0.128 10 0 "[ . 1 . 2]" 1
952 1 161 VAL MG1 1 166 VAL QG 2.770 . 3.050 2.073 1.818 2.853 . 0 0 "[ . 1 . 2]" 1
953 1 166 VAL H 1 166 VAL QG 2.890 . 3.180 2.152 1.917 2.350 . 0 0 "[ . 1 . 2]" 1
954 1 37 ARG H 1 65 GLU H 4.500 . 4.500 3.736 3.331 4.183 . 0 0 "[ . 1 . 2]" 1
955 1 100 ILE MD 1 113 VAL MG1 6.000 . 6.000 5.968 4.742 6.124 0.124 7 0 "[ . 1 . 2]" 1
956 1 76 LEU MD1 1 156 ILE MD 6.000 . 6.000 3.455 3.135 4.136 . 0 0 "[ . 1 . 2]" 1
957 1 100 ILE MD 1 113 VAL MG2 6.000 . 6.000 5.611 4.646 6.066 0.066 20 0 "[ . 1 . 2]" 1
958 1 18 PHE QE 1 73 ASN HD22 6.000 . 6.000 3.730 1.821 5.371 . 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 126
_Distance_constraint_stats_list.Viol_count 268
_Distance_constraint_stats_list.Viol_total 186.260
_Distance_constraint_stats_list.Viol_max 0.141
_Distance_constraint_stats_list.Viol_rms 0.0140
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0037
_Distance_constraint_stats_list.Viol_average_violations_only 0.0348
_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 LEU 0.699 0.127 3 0 "[ . 1 . 2]"
1 3 ILE 0.124 0.041 9 0 "[ . 1 . 2]"
1 4 TYR 0.623 0.067 17 0 "[ . 1 . 2]"
1 5 LYS 0.047 0.047 5 0 "[ . 1 . 2]"
1 14 SER 0.623 0.067 17 0 "[ . 1 . 2]"
1 16 ASP 0.699 0.127 3 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 0.152 0.077 8 0 "[ . 1 . 2]"
1 27 VAL 0.152 0.077 8 0 "[ . 1 . 2]"
1 28 TYR 0.168 0.064 1 0 "[ . 1 . 2]"
1 29 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.001 0.001 18 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.376 0.106 13 0 "[ . 1 . 2]"
1 37 ARG 0.392 0.094 17 0 "[ . 1 . 2]"
1 65 GLU 0.392 0.094 17 0 "[ . 1 . 2]"
1 67 GLY 0.376 0.106 13 0 "[ . 1 . 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.467 0.086 17 0 "[ . 1 . 2]"
1 79 MET 0.992 0.115 7 0 "[ . 1 . 2]"
1 85 ALA 0.162 0.055 7 0 "[ . 1 . 2]"
1 86 SER 0.305 0.053 2 0 "[ . 1 . 2]"
1 87 MET 0.000 0.000 5 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 LYS 0.162 0.055 7 0 "[ . 1 . 2]"
1 90 ALA 0.863 0.097 20 0 "[ . 1 . 2]"
1 91 TYR 0.000 0.000 5 0 "[ . 1 . 2]"
1 92 ILE 0.016 0.016 8 0 "[ . 1 . 2]"
1 93 LYS 0.477 0.060 10 0 "[ . 1 . 2]"
1 94 LYS 0.558 0.097 20 0 "[ . 1 . 2]"
1 95 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 MET 0.610 0.055 5 0 "[ . 1 . 2]"
1 97 LYS 0.485 0.060 10 0 "[ . 1 . 2]"
1 98 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 99 VAL 0.326 0.083 2 0 "[ . 1 . 2]"
1 100 ILE 0.605 0.055 5 0 "[ . 1 . 2]"
1 101 ASP 0.008 0.008 6 0 "[ . 1 . 2]"
1 102 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 MET 0.326 0.083 2 0 "[ . 1 . 2]"
1 104 GLU 0.011 0.011 17 0 "[ . 1 . 2]"
1 112 ASP 0.002 0.002 6 0 "[ . 1 . 2]"
1 113 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 114 ASP 0.059 0.059 9 0 "[ . 1 . 2]"
1 115 ALA 0.060 0.031 2 0 "[ . 1 . 2]"
1 116 PHE 0.002 0.002 6 0 "[ . 1 . 2]"
1 117 LYS 0.044 0.044 2 0 "[ . 1 . 2]"
1 118 LYS 0.091 0.059 9 0 "[ . 1 . 2]"
1 119 LYS 0.060 0.031 2 0 "[ . 1 . 2]"
1 120 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 121 GLN 0.061 0.044 2 0 "[ . 1 . 2]"
1 122 GLY 0.765 0.072 18 0 "[ . 1 . 2]"
1 123 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 124 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 125 VAL 0.017 0.017 16 0 "[ . 1 . 2]"
1 126 SER 0.732 0.072 18 0 "[ . 1 . 2]"
1 127 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 137 ALA 0.213 0.046 3 0 "[ . 1 . 2]"
1 138 PHE 0.992 0.115 7 0 "[ . 1 . 2]"
1 139 PHE 0.047 0.015 14 0 "[ . 1 . 2]"
1 140 ILE 0.467 0.086 17 0 "[ . 1 . 2]"
1 154 ALA 0.047 0.015 14 0 "[ . 1 . 2]"
1 155 ILE 1.381 0.141 11 0 "[ . 1 . 2]"
1 156 ILE 0.213 0.046 3 0 "[ . 1 . 2]"
1 157 GLU 0.026 0.026 3 0 "[ . 1 . 2]"
1 159 ARG 0.149 0.072 2 0 "[ . 1 . 2]"
1 161 VAL 0.055 0.039 9 0 "[ . 1 . 2]"
1 164 THR 0.055 0.039 9 0 "[ . 1 . 2]"
1 166 VAL 0.149 0.072 2 0 "[ . 1 . 2]"
1 168 THR 0.026 0.026 3 0 "[ . 1 . 2]"
1 169 LEU 0.001 0.001 18 0 "[ . 1 . 2]"
1 170 MET 1.381 0.141 11 0 "[ . 1 . 2]"
1 171 LEU 0.168 0.064 1 0 "[ . 1 . 2]"
1 177 ILE 0.047 0.047 5 0 "[ . 1 . 2]"
1 179 GLU 0.124 0.041 9 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 LEU O 1 16 ASP H 2.300 . 2.300 2.236 2.053 2.388 0.088 3 0 "[ . 1 . 2]" 2
2 1 2 LEU O 1 16 ASP N 3.300 2.700 3.300 2.913 2.762 3.130 . 0 0 "[ . 1 . 2]" 2
3 1 2 LEU H 1 16 ASP O 2.300 . 2.300 2.282 2.048 2.427 0.127 3 0 "[ . 1 . 2]" 2
4 1 2 LEU N 1 16 ASP O 3.300 2.700 3.300 3.096 2.854 3.266 . 0 0 "[ . 1 . 2]" 2
5 1 4 TYR O 1 14 SER H 2.300 . 2.300 2.316 2.207 2.367 0.067 17 0 "[ . 1 . 2]" 2
6 1 4 TYR O 1 14 SER N 3.300 2.700 3.300 3.227 3.065 3.355 0.055 17 0 "[ . 1 . 2]" 2
7 1 4 TYR H 1 14 SER O 2.300 . 2.300 2.129 1.932 2.296 . 0 0 "[ . 1 . 2]" 2
8 1 4 TYR N 1 14 SER O 3.300 2.700 3.300 2.979 2.786 3.169 . 0 0 "[ . 1 . 2]" 2
9 1 3 ILE O 1 179 GLU H 2.300 . 2.300 2.100 1.919 2.341 0.041 9 0 "[ . 1 . 2]" 2
10 1 3 ILE O 1 179 GLU N 3.300 2.700 3.300 2.974 2.767 3.291 . 0 0 "[ . 1 . 2]" 2
11 1 3 ILE H 1 179 GLU O 2.300 . 2.300 2.055 1.892 2.318 0.018 16 0 "[ . 1 . 2]" 2
12 1 3 ILE N 1 179 GLU O 3.300 2.700 3.300 2.980 2.846 3.273 . 0 0 "[ . 1 . 2]" 2
13 1 5 LYS O 1 177 ILE H 2.300 . 2.300 1.973 1.901 2.149 . 0 0 "[ . 1 . 2]" 2
14 1 5 LYS O 1 177 ILE N 3.300 2.700 3.300 2.881 2.710 3.091 . 0 0 "[ . 1 . 2]" 2
15 1 5 LYS H 1 177 ILE O 2.300 . 2.300 2.154 1.988 2.347 0.047 5 0 "[ . 1 . 2]" 2
16 1 5 LYS N 1 177 ILE O 3.300 2.700 3.300 3.061 2.803 3.214 . 0 0 "[ . 1 . 2]" 2
17 1 77 VAL O 1 140 ILE H 2.300 . 2.300 2.266 2.019 2.386 0.086 17 0 "[ . 1 . 2]" 2
18 1 77 VAL O 1 140 ILE N 3.300 2.700 3.300 3.201 2.984 3.324 0.024 17 0 "[ . 1 . 2]" 2
19 1 77 VAL H 1 140 ILE O 2.300 . 2.300 2.085 1.926 2.353 0.053 9 0 "[ . 1 . 2]" 2
20 1 77 VAL N 1 140 ILE O 3.300 2.700 3.300 2.973 2.729 3.277 . 0 0 "[ . 1 . 2]" 2
21 1 79 MET O 1 138 PHE H 2.300 . 2.300 2.321 2.142 2.415 0.115 7 0 "[ . 1 . 2]" 2
22 1 79 MET O 1 138 PHE N 3.300 2.700 3.300 3.102 2.934 3.199 . 0 0 "[ . 1 . 2]" 2
23 1 79 MET H 1 138 PHE O 2.300 . 2.300 2.005 1.892 2.164 . 0 0 "[ . 1 . 2]" 2
24 1 79 MET N 1 138 PHE O 3.300 2.700 3.300 2.754 2.682 2.885 0.018 6 0 "[ . 1 . 2]" 2
25 1 137 ALA O 1 156 ILE H 2.300 . 2.300 2.195 1.962 2.346 0.046 3 0 "[ . 1 . 2]" 2
26 1 137 ALA O 1 156 ILE N 3.300 2.700 3.300 3.051 2.841 3.181 . 0 0 "[ . 1 . 2]" 2
27 1 137 ALA H 1 156 ILE O 2.300 . 2.300 2.131 1.952 2.343 0.043 13 0 "[ . 1 . 2]" 2
28 1 137 ALA N 1 156 ILE O 3.300 2.700 3.300 3.083 2.899 3.309 0.009 15 0 "[ . 1 . 2]" 2
29 1 139 PHE O 1 154 ALA H 2.300 . 2.300 2.019 1.945 2.137 . 0 0 "[ . 1 . 2]" 2
30 1 139 PHE O 1 154 ALA N 3.300 2.700 3.300 2.751 2.688 2.840 0.012 1 0 "[ . 1 . 2]" 2
31 1 139 PHE H 1 154 ALA O 2.300 . 2.300 2.165 2.039 2.315 0.015 14 0 "[ . 1 . 2]" 2
32 1 139 PHE N 1 154 ALA O 3.300 2.700 3.300 3.005 2.862 3.205 . 0 0 "[ . 1 . 2]" 2
33 1 155 ILE O 1 170 MET H 2.300 . 2.300 1.941 1.852 2.053 . 0 0 "[ . 1 . 2]" 2
34 1 155 ILE O 1 170 MET N 3.300 2.700 3.300 2.840 2.759 2.946 . 0 0 "[ . 1 . 2]" 2
35 1 155 ILE H 1 170 MET O 2.300 . 2.300 2.361 2.275 2.441 0.141 11 0 "[ . 1 . 2]" 2
36 1 155 ILE N 1 170 MET O 3.300 2.700 3.300 3.258 3.171 3.346 0.046 16 0 "[ . 1 . 2]" 2
37 1 157 GLU O 1 168 THR H 2.300 . 2.300 2.042 1.896 2.228 . 0 0 "[ . 1 . 2]" 2
38 1 157 GLU O 1 168 THR N 3.300 2.700 3.300 2.930 2.801 3.109 . 0 0 "[ . 1 . 2]" 2
39 1 157 GLU H 1 168 THR O 2.300 . 2.300 2.114 1.946 2.326 0.026 3 0 "[ . 1 . 2]" 2
40 1 157 GLU N 1 168 THR O 3.300 2.700 3.300 3.033 2.859 3.291 . 0 0 "[ . 1 . 2]" 2
41 1 159 ARG O 1 166 VAL H 2.300 . 2.300 1.973 1.887 2.331 0.031 10 0 "[ . 1 . 2]" 2
42 1 159 ARG O 1 166 VAL N 3.300 2.700 3.300 2.872 2.741 3.182 . 0 0 "[ . 1 . 2]" 2
43 1 159 ARG H 1 166 VAL O 2.300 . 2.300 2.146 1.975 2.372 0.072 2 0 "[ . 1 . 2]" 2
44 1 159 ARG N 1 166 VAL O 3.300 2.700 3.300 3.072 2.907 3.270 . 0 0 "[ . 1 . 2]" 2
45 1 161 VAL O 1 164 THR H 2.300 . 2.300 2.160 2.067 2.339 0.039 9 0 "[ . 1 . 2]" 2
46 1 161 VAL O 1 164 THR N 3.300 2.700 3.300 3.048 2.902 3.234 . 0 0 "[ . 1 . 2]" 2
47 1 161 VAL H 1 164 THR O 2.300 . 2.300 1.990 1.863 2.174 . 0 0 "[ . 1 . 2]" 2
48 1 161 VAL N 1 164 THR O 3.300 2.700 3.300 2.924 2.769 3.147 . 0 0 "[ . 1 . 2]" 2
49 1 28 TYR O 1 171 LEU H 2.300 . 2.300 2.190 2.026 2.364 0.064 1 0 "[ . 1 . 2]" 2
50 1 28 TYR O 1 171 LEU N 3.300 2.700 3.300 3.121 2.924 3.315 0.015 1 0 "[ . 1 . 2]" 2
51 1 28 TYR H 1 171 LEU O 2.300 . 2.300 1.968 1.868 2.090 . 0 0 "[ . 1 . 2]" 2
52 1 28 TYR N 1 171 LEU O 3.300 2.700 3.300 2.792 2.692 2.919 0.008 8 0 "[ . 1 . 2]" 2
53 1 30 PHE O 1 169 LEU H 2.300 . 2.300 1.999 1.888 2.159 . 0 0 "[ . 1 . 2]" 2
54 1 30 PHE O 1 169 LEU N 3.300 2.700 3.300 2.907 2.779 3.074 . 0 0 "[ . 1 . 2]" 2
55 1 30 PHE H 1 169 LEU O 2.300 . 2.300 2.041 1.944 2.301 0.001 18 0 "[ . 1 . 2]" 2
56 1 30 PHE N 1 169 LEU O 3.300 2.700 3.300 2.944 2.810 3.139 . 0 0 "[ . 1 . 2]" 2
57 1 33 LYS O 1 69 ASP H 2.300 . 2.300 1.986 1.878 2.201 . 0 0 "[ . 1 . 2]" 2
58 1 33 LYS O 1 69 ASP N 3.300 2.700 3.300 2.928 2.819 3.159 . 0 0 "[ . 1 . 2]" 2
59 1 35 VAL O 1 67 GLY H 2.300 . 2.300 2.234 2.036 2.406 0.106 13 0 "[ . 1 . 2]" 2
60 1 35 VAL O 1 67 GLY N 3.300 2.700 3.300 3.149 2.962 3.375 0.075 13 0 "[ . 1 . 2]" 2
61 1 35 VAL H 1 67 GLY O 2.300 . 2.300 2.086 1.930 2.315 0.015 11 0 "[ . 1 . 2]" 2
62 1 35 VAL N 1 67 GLY O 3.300 2.700 3.300 2.992 2.846 3.244 . 0 0 "[ . 1 . 2]" 2
63 1 37 ARG O 1 65 GLU H 2.300 . 2.300 2.140 1.943 2.390 0.090 5 0 "[ . 1 . 2]" 2
64 1 37 ARG O 1 65 GLU N 3.300 2.700 3.300 2.890 2.745 3.307 0.007 5 0 "[ . 1 . 2]" 2
65 1 37 ARG H 1 65 GLU O 2.300 . 2.300 2.099 1.890 2.394 0.094 17 0 "[ . 1 . 2]" 2
66 1 37 ARG N 1 65 GLU O 3.300 2.700 3.300 2.954 2.773 3.252 . 0 0 "[ . 1 . 2]" 2
67 1 85 ALA O 1 89 LYS H 2.300 . 2.300 2.224 1.979 2.355 0.055 7 0 "[ . 1 . 2]" 2
68 1 85 ALA O 1 89 LYS N 3.300 2.700 3.300 3.080 2.871 3.281 . 0 0 "[ . 1 . 2]" 2
69 1 86 SER O 1 90 ALA H 2.300 . 2.300 2.286 2.161 2.353 0.053 2 0 "[ . 1 . 2]" 2
70 1 86 SER O 1 90 ALA N 3.300 2.700 3.300 3.155 2.924 3.245 . 0 0 "[ . 1 . 2]" 2
71 1 87 MET O 1 91 TYR H 2.300 . 2.300 2.123 1.928 2.300 . 5 0 "[ . 1 . 2]" 2
72 1 87 MET O 1 91 TYR N 3.300 2.700 3.300 3.029 2.855 3.211 . 0 0 "[ . 1 . 2]" 2
73 1 88 PHE O 1 92 ILE H 2.300 . 2.300 1.995 1.909 2.112 . 0 0 "[ . 1 . 2]" 2
74 1 88 PHE O 1 92 ILE N 3.300 2.700 3.300 2.907 2.807 3.075 . 0 0 "[ . 1 . 2]" 2
75 1 89 LYS O 1 93 LYS H 2.300 . 2.300 2.128 2.007 2.289 . 0 0 "[ . 1 . 2]" 2
76 1 89 LYS O 1 93 LYS N 3.300 2.700 3.300 3.037 2.930 3.154 . 0 0 "[ . 1 . 2]" 2
77 1 90 ALA O 1 94 LYS H 2.300 . 2.300 2.274 2.046 2.397 0.097 20 0 "[ . 1 . 2]" 2
78 1 90 ALA O 1 94 LYS N 3.300 2.700 3.300 3.195 2.930 3.355 0.055 4 0 "[ . 1 . 2]" 2
79 1 91 TYR O 1 95 PHE H 2.300 . 2.300 1.885 1.846 1.958 . 0 0 "[ . 1 . 2]" 2
80 1 91 TYR O 1 95 PHE N 3.300 2.700 3.300 2.812 2.773 2.846 . 0 0 "[ . 1 . 2]" 2
81 1 92 ILE O 1 96 MET H 2.300 . 2.300 2.019 1.879 2.316 0.016 8 0 "[ . 1 . 2]" 2
82 1 92 ILE O 1 96 MET N 3.300 2.700 3.300 2.972 2.842 3.257 . 0 0 "[ . 1 . 2]" 2
83 1 93 LYS O 1 97 LYS H 2.300 . 2.300 2.312 2.190 2.360 0.060 10 0 "[ . 1 . 2]" 2
84 1 93 LYS O 1 97 LYS N 3.300 2.700 3.300 3.250 3.110 3.310 0.010 18 0 "[ . 1 . 2]" 2
85 1 94 LYS O 1 98 ASN H 2.300 . 2.300 2.037 1.941 2.265 . 0 0 "[ . 1 . 2]" 2
86 1 94 LYS O 1 98 ASN N 3.300 2.700 3.300 2.896 2.768 3.138 . 0 0 "[ . 1 . 2]" 2
87 1 95 PHE O 1 99 VAL H 2.300 . 2.300 2.014 1.922 2.094 . 0 0 "[ . 1 . 2]" 2
88 1 95 PHE O 1 99 VAL N 3.300 2.700 3.300 2.970 2.849 3.049 . 0 0 "[ . 1 . 2]" 2
89 1 96 MET O 1 100 ILE H 2.300 . 2.300 2.308 2.135 2.355 0.055 5 0 "[ . 1 . 2]" 2
90 1 96 MET O 1 100 ILE N 3.300 2.700 3.300 3.251 3.032 3.335 0.035 8 0 "[ . 1 . 2]" 2
91 1 97 LYS O 1 101 ASP H 2.300 . 2.300 2.158 1.960 2.308 0.008 6 0 "[ . 1 . 2]" 2
92 1 97 LYS O 1 101 ASP N 3.300 2.700 3.300 3.058 2.906 3.203 . 0 0 "[ . 1 . 2]" 2
93 1 98 ASN O 1 102 HIS H 2.300 . 2.300 2.037 1.910 2.211 . 0 0 "[ . 1 . 2]" 2
94 1 98 ASN O 1 102 HIS N 3.300 2.700 3.300 2.891 2.751 3.059 . 0 0 "[ . 1 . 2]" 2
95 1 99 VAL O 1 103 MET H 2.300 . 2.300 2.226 1.947 2.383 0.083 2 0 "[ . 1 . 2]" 2
96 1 99 VAL O 1 103 MET N 3.300 2.700 3.300 3.146 2.875 3.335 0.035 2 0 "[ . 1 . 2]" 2
97 1 100 ILE O 1 104 GLU H 2.300 . 2.300 2.081 1.925 2.311 0.011 17 0 "[ . 1 . 2]" 2
98 1 100 ILE O 1 104 GLU N 3.300 2.700 3.300 2.943 2.721 3.203 . 0 0 "[ . 1 . 2]" 2
99 1 112 ASP O 1 116 PHE H 2.300 . 2.300 2.059 1.940 2.302 0.002 6 0 "[ . 1 . 2]" 2
100 1 112 ASP O 1 116 PHE N 3.300 2.700 3.300 2.984 2.830 3.247 . 0 0 "[ . 1 . 2]" 2
101 1 113 VAL O 1 117 LYS H 2.300 . 2.300 2.035 1.974 2.128 . 0 0 "[ . 1 . 2]" 2
102 1 113 VAL O 1 117 LYS N 3.300 2.700 3.300 2.905 2.772 3.017 . 0 0 "[ . 1 . 2]" 2
103 1 114 ASP O 1 118 LYS H 2.300 . 2.300 2.174 2.040 2.359 0.059 9 0 "[ . 1 . 2]" 2
104 1 114 ASP O 1 118 LYS N 3.300 2.700 3.300 3.045 2.930 3.271 . 0 0 "[ . 1 . 2]" 2
105 1 115 ALA O 1 119 LYS H 2.300 . 2.300 2.194 2.077 2.331 0.031 2 0 "[ . 1 . 2]" 2
106 1 115 ALA O 1 119 LYS N 3.300 2.700 3.300 3.061 2.857 3.233 . 0 0 "[ . 1 . 2]" 2
107 1 116 PHE O 1 120 ILE H 2.300 . 2.300 1.947 1.889 2.038 . 0 0 "[ . 1 . 2]" 2
108 1 116 PHE O 1 120 ILE N 3.300 2.700 3.300 2.860 2.770 2.943 . 0 0 "[ . 1 . 2]" 2
109 1 117 LYS O 1 121 GLN H 2.300 . 2.300 2.109 1.902 2.344 0.044 2 0 "[ . 1 . 2]" 2
110 1 117 LYS O 1 121 GLN N 3.300 2.700 3.300 3.033 2.854 3.247 . 0 0 "[ . 1 . 2]" 2
111 1 118 LYS O 1 122 GLY H 2.300 . 2.300 2.126 1.983 2.320 0.020 5 0 "[ . 1 . 2]" 2
112 1 118 LYS O 1 122 GLY N 3.300 2.700 3.300 3.025 2.903 3.200 . 0 0 "[ . 1 . 2]" 2
113 1 119 LYS O 1 123 TRP H 2.300 . 2.300 2.052 1.976 2.254 . 0 0 "[ . 1 . 2]" 2
114 1 119 LYS O 1 123 TRP N 3.300 2.700 3.300 2.909 2.787 3.177 . 0 0 "[ . 1 . 2]" 2
115 1 120 ILE O 1 124 VAL H 2.300 . 2.300 2.042 1.878 2.272 . 0 0 "[ . 1 . 2]" 2
116 1 120 ILE O 1 124 VAL N 3.300 2.700 3.300 2.992 2.832 3.225 . 0 0 "[ . 1 . 2]" 2
117 1 121 GLN O 1 125 VAL H 2.300 . 2.300 2.077 1.948 2.317 0.017 16 0 "[ . 1 . 2]" 2
118 1 121 GLN O 1 125 VAL N 3.300 2.700 3.300 3.019 2.848 3.266 . 0 0 "[ . 1 . 2]" 2
119 1 122 GLY O 1 126 SER H 2.300 . 2.300 2.332 2.205 2.372 0.072 18 0 "[ . 1 . 2]" 2
120 1 122 GLY O 1 126 SER N 3.300 2.700 3.300 3.228 3.104 3.290 . 0 0 "[ . 1 . 2]" 2
121 1 123 TRP O 1 127 LEU H 2.300 . 2.300 2.046 1.941 2.181 . 0 0 "[ . 1 . 2]" 2
122 1 123 TRP O 1 127 LEU N 3.300 2.700 3.300 2.844 2.723 2.925 . 0 0 "[ . 1 . 2]" 2
123 1 21 LYS O 1 29 GLU H 2.300 . 2.300 2.068 1.958 2.244 . 0 0 "[ . 1 . 2]" 2
124 1 21 LYS O 1 29 GLU N 3.300 2.700 3.300 2.919 2.798 3.019 . 0 0 "[ . 1 . 2]" 2
125 1 23 VAL O 1 27 VAL H 2.300 . 2.300 2.185 2.082 2.377 0.077 8 0 "[ . 1 . 2]" 2
126 1 23 VAL O 1 27 VAL N 3.300 2.700 3.300 3.152 3.013 3.357 0.057 8 0 "[ . 1 . 2]" 2
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