NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
382229 |
1jba   |
4492 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1jba
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 1162
_Distance_constraint_stats_list.Viol_count 879
_Distance_constraint_stats_list.Viol_total 1569.905
_Distance_constraint_stats_list.Viol_max 0.758
_Distance_constraint_stats_list.Viol_rms 0.0219
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0028
_Distance_constraint_stats_list.Viol_average_violations_only 0.0812
_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 5 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 6 SER 0.963 0.254 21 0 "[ . 1 . 2 ]"
1 7 TRP 3.922 0.320 13 0 "[ . 1 . 2 ]"
1 8 GLU 3.207 0.320 13 0 "[ . 1 . 2 ]"
1 9 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 10 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 12 GLU 6.533 0.540 1 3 "[+ - . 1 *. 2 ]"
1 13 ASN 6.533 0.540 1 3 "[+ - . 1 *. 2 ]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 ALA 0.126 0.105 15 0 "[ . 1 . 2 ]"
1 16 VAL 0.126 0.105 15 0 "[ . 1 . 2 ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 18 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 21 ALA 0.866 0.063 14 0 "[ . 1 . 2 ]"
1 22 ALA 1.008 0.063 14 0 "[ . 1 . 2 ]"
1 23 GLN 0.142 0.056 15 0 "[ . 1 . 2 ]"
1 24 LEU 1.788 0.200 22 0 "[ . 1 . 2 ]"
1 25 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 TRP 0.716 0.118 1 0 "[ . 1 . 2 ]"
1 28 TYR 3.238 0.384 15 0 "[ . 1 . 2 ]"
1 29 LYS 3.238 0.384 15 0 "[ . 1 . 2 ]"
1 31 PHE 0.754 0.160 2 0 "[ . 1 . 2 ]"
1 32 LEU 0.041 0.041 11 0 "[ . 1 . 2 ]"
1 33 GLU 3.178 0.287 8 0 "[ . 1 . 2 ]"
1 34 GLU 3.178 0.287 8 0 "[ . 1 . 2 ]"
1 35 CYS 0.041 0.041 11 0 "[ . 1 . 2 ]"
1 36 PRO 0.131 0.054 11 0 "[ . 1 . 2 ]"
1 37 SER 0.131 0.054 11 0 "[ . 1 . 2 ]"
1 38 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 39 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 40 LEU 0.596 0.104 1 0 "[ . 1 . 2 ]"
1 41 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 43 HIS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 PHE 3.333 0.246 18 0 "[ . 1 . 2 ]"
1 46 LYS 3.333 0.246 18 0 "[ . 1 . 2 ]"
1 47 ARG 0.055 0.022 9 0 "[ . 1 . 2 ]"
1 48 PHE 0.736 0.347 3 0 "[ . 1 . 2 ]"
1 49 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 51 VAL 0.736 0.347 3 0 "[ . 1 . 2 ]"
1 52 PRO 0.173 0.152 9 0 "[ . 1 . 2 ]"
1 53 ASP 0.173 0.152 9 0 "[ . 1 . 2 ]"
1 54 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 55 GLU 0.034 0.024 17 0 "[ . 1 . 2 ]"
1 56 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ALA 0.825 0.111 2 0 "[ . 1 . 2 ]"
1 58 THR 0.168 0.055 8 0 "[ . 1 . 2 ]"
1 59 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 VAL 0.066 0.055 8 0 "[ . 1 . 2 ]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 63 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 64 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 65 PHE 0.088 0.043 3 0 "[ . 1 . 2 ]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 68 PHE 2.045 0.290 22 0 "[ . 1 . 2 ]"
1 69 ASP 2.045 0.290 22 0 "[ . 1 . 2 ]"
1 70 THR 0.575 0.086 16 0 "[ . 1 . 2 ]"
1 71 ASN 1.141 0.667 6 1 "[ .+ 1 . 2 ]"
1 72 GLY 1.082 0.667 6 1 "[ .+ 1 . 2 ]"
1 73 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 74 ASN 0.254 0.139 2 0 "[ . 1 . 2 ]"
1 75 THR 0.596 0.104 1 0 "[ . 1 . 2 ]"
1 76 ILE 0.088 0.043 3 0 "[ . 1 . 2 ]"
1 77 ASP 0.754 0.160 2 0 "[ . 1 . 2 ]"
1 78 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 79 LEU 0.470 0.060 1 0 "[ . 1 . 2 ]"
1 80 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 81 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 82 VAL 0.716 0.118 1 0 "[ . 1 . 2 ]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 84 ALA 0.156 0.061 15 0 "[ . 1 . 2 ]"
1 85 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 87 LEU 0.156 0.061 15 0 "[ . 1 . 2 ]"
1 88 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 89 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 90 ARG 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 91 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 93 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 94 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 95 HIS 0.453 0.119 19 0 "[ . 1 . 2 ]"
1 96 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 97 LEU 1.002 0.719 15 1 "[ . 1 + 2 ]"
1 98 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 99 TRP 0.012 0.007 4 0 "[ . 1 . 2 ]"
1 100 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 101 PHE 0.092 0.045 2 0 "[ . 1 . 2 ]"
1 102 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 103 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 104 TYR 0.135 0.115 14 0 "[ . 1 . 2 ]"
1 105 ASP 0.010 0.010 22 0 "[ . 1 . 2 ]"
1 106 LYS 0.774 0.115 14 0 "[ . 1 . 2 ]"
1 107 ASP 3.173 0.308 18 0 "[ . 1 . 2 ]"
1 108 ARG 3.189 0.453 14 0 "[ . 1 . 2 ]"
1 109 ASN 1.639 0.453 14 0 "[ . 1 . 2 ]"
1 110 GLY 0.462 0.190 14 0 "[ . 1 . 2 ]"
1 111 CYS 0.393 0.118 11 0 "[ . 1 . 2 ]"
1 112 ILE 0.092 0.045 2 0 "[ . 1 . 2 ]"
1 113 ASP 0.025 0.010 13 0 "[ . 1 . 2 ]"
1 114 ARG 0.025 0.010 13 0 "[ . 1 . 2 ]"
1 115 GLN 2.889 0.242 3 0 "[ . 1 . 2 ]"
1 116 GLU 2.889 0.242 3 0 "[ . 1 . 2 ]"
1 117 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 118 LEU 1.195 0.606 4 1 "[ +. 1 . 2 ]"
1 119 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 120 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 121 VAL 2.086 0.186 7 0 "[ . 1 . 2 ]"
1 122 GLU 0.588 0.255 4 0 "[ . 1 . 2 ]"
1 123 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 124 ILE 2.086 0.186 7 0 "[ . 1 . 2 ]"
1 125 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 126 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 127 LEU 0.825 0.111 2 0 "[ . 1 . 2 ]"
1 128 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 129 LYS 0.581 0.063 21 0 "[ . 1 . 2 ]"
1 130 ALA 1.630 0.079 18 0 "[ . 1 . 2 ]"
1 131 CYS 0.577 0.221 5 0 "[ . 1 . 2 ]"
1 132 SER 1.236 0.221 5 0 "[ . 1 . 2 ]"
1 133 VAL 3.656 0.215 18 0 "[ . 1 . 2 ]"
1 134 GLU 1.310 0.101 18 0 "[ . 1 . 2 ]"
1 135 VAL 4.058 0.420 9 0 "[ . 1 . 2 ]"
1 136 GLU 2.280 0.420 9 0 "[ . 1 . 2 ]"
1 137 ALA 0.443 0.093 15 0 "[ . 1 . 2 ]"
1 138 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 140 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 141 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 142 LYS 0.645 0.089 5 0 "[ . 1 . 2 ]"
1 143 LEU 1.691 0.323 13 0 "[ . 1 . 2 ]"
1 144 LEU 0.224 0.111 10 0 "[ . 1 . 2 ]"
1 145 THR 1.137 0.758 4 1 "[ +. 1 . 2 ]"
1 146 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 147 GLU 2.502 0.758 4 1 "[ +. 1 . 2 ]"
1 148 GLU 0.300 0.068 7 0 "[ . 1 . 2 ]"
1 149 VAL 2.383 0.113 4 0 "[ . 1 . 2 ]"
1 150 VAL 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 151 ASP 0.269 0.068 7 0 "[ . 1 . 2 ]"
1 152 ARG 1.382 0.113 4 0 "[ . 1 . 2 ]"
1 153 ILE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 154 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 155 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 156 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 157 VAL 0.789 0.110 14 0 "[ . 1 . 2 ]"
1 158 ASP 0.498 0.211 11 0 "[ . 1 . 2 ]"
1 159 GLU 0.989 0.211 11 0 "[ . 1 . 2 ]"
1 160 ASN 0.346 0.091 19 0 "[ . 1 . 2 ]"
1 161 GLY 0.028 0.028 7 0 "[ . 1 . 2 ]"
1 162 ASP 0.075 0.072 14 0 "[ . 1 . 2 ]"
1 163 GLY 0.103 0.072 14 0 "[ . 1 . 2 ]"
1 164 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 165 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 166 SER 0.506 0.072 10 0 "[ . 1 . 2 ]"
1 167 LEU 0.097 0.039 18 0 "[ . 1 . 2 ]"
1 168 ASN 0.123 0.035 2 0 "[ . 1 . 2 ]"
1 169 GLU 0.383 0.072 10 0 "[ . 1 . 2 ]"
1 170 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 171 VAL 3.479 0.719 15 1 "[ . 1 + 2 ]"
1 172 GLU 1.022 0.067 18 0 "[ . 1 . 2 ]"
1 173 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 174 ALA 0.133 0.036 14 0 "[ . 1 . 2 ]"
1 175 ARG 2.437 0.210 9 0 "[ . 1 . 2 ]"
1 176 ARG 1.974 0.210 9 0 "[ . 1 . 2 ]"
1 177 ASP 0.133 0.036 14 0 "[ . 1 . 2 ]"
1 178 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 179 TRP 0.770 0.174 22 0 "[ . 1 . 2 ]"
1 180 VAL 0.308 0.078 4 0 "[ . 1 . 2 ]"
1 181 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 182 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 183 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 184 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 186 MET 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 187 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 TRP H 1 7 TRP HD1 0.000 . 5.000 3.342 1.655 4.772 . 0 0 "[ . 1 . 2 ]" 1
2 1 7 TRP H 1 7 TRP HE3 0.000 . 5.000 3.552 1.684 5.227 0.227 13 0 "[ . 1 . 2 ]" 1
3 1 8 GLU H 1 8 GLU HA 0.000 . 2.900 2.800 2.688 2.921 0.021 15 0 "[ . 1 . 2 ]" 1
4 1 24 LEU H 1 24 LEU QD 0.000 . 5.200 1.919 1.635 2.913 . 0 0 "[ . 1 . 2 ]" 1
5 1 24 LEU H 1 24 LEU HG 0.000 . 3.500 3.441 1.929 3.700 0.200 22 0 "[ . 1 . 2 ]" 1
6 1 25 GLN H 1 25 GLN QB 0.000 . 3.500 2.199 2.049 2.348 . 0 0 "[ . 1 . 2 ]" 1
7 1 26 GLU H 1 26 GLU HA 0.000 . 2.900 2.841 2.788 2.885 . 0 0 "[ . 1 . 2 ]" 1
8 1 26 GLU H 1 26 GLU QB 0.000 . 3.500 2.261 2.044 2.644 . 0 0 "[ . 1 . 2 ]" 1
9 1 27 TRP H 1 27 TRP HD1 0.000 . 5.000 3.537 2.224 4.789 . 0 0 "[ . 1 . 2 ]" 1
10 1 28 TYR H 1 28 TYR QE 0.000 . 7.000 6.113 5.655 6.210 . 0 0 "[ . 1 . 2 ]" 1
11 1 29 LYS H 1 29 LYS QB 0.000 . 3.500 2.238 2.046 2.477 . 0 0 "[ . 1 . 2 ]" 1
12 1 32 LEU HA 1 32 LEU MD2 0.000 . 4.400 2.720 1.929 3.745 . 0 0 "[ . 1 . 2 ]" 1
13 1 47 ARG H 1 47 ARG HA 0.000 . 2.900 2.862 2.796 2.922 0.022 9 0 "[ . 1 . 2 ]" 1
14 1 58 THR H 1 58 THR HB 0.000 . 2.900 2.594 2.283 2.928 0.028 13 0 "[ . 1 . 2 ]" 1
15 1 64 MET HA 1 64 MET ME 0.000 . 4.800 2.360 1.918 2.897 . 0 0 "[ . 1 . 2 ]" 1
16 1 64 MET H 1 64 MET ME 0.000 . 6.500 3.665 2.972 4.207 . 0 0 "[ . 1 . 2 ]" 1
17 1 79 LEU HA 1 79 LEU MD2 0.000 . 4.800 3.280 2.269 3.754 . 0 0 "[ . 1 . 2 ]" 1
18 1 79 LEU H 1 79 LEU MD1 0.000 . 5.000 3.001 1.895 3.788 . 0 0 "[ . 1 . 2 ]" 1
19 1 85 LEU HA 1 85 LEU MD2 0.000 . 4.800 2.157 1.957 2.377 . 0 0 "[ . 1 . 2 ]" 1
20 1 87 LEU HA 1 87 LEU MD2 0.000 . 4.800 2.370 1.958 3.853 . 0 0 "[ . 1 . 2 ]" 1
21 1 89 LEU HA 1 89 LEU MD1 0.000 . 4.800 2.418 1.999 3.715 . 0 0 "[ . 1 . 2 ]" 1
22 1 89 LEU H 1 89 LEU HG 0.000 . 5.000 4.209 3.659 4.657 . 0 0 "[ . 1 . 2 ]" 1
23 1 95 HIS HA 1 95 HIS HD2 0.000 . 5.000 3.837 2.187 5.119 0.119 19 0 "[ . 1 . 2 ]" 1
24 1 95 HIS H 1 95 HIS HD1 0.000 . 5.000 4.258 2.394 5.077 0.077 21 0 "[ . 1 . 2 ]" 1
25 1 97 LEU HA 1 97 LEU MD2 0.000 . 4.800 2.104 1.918 3.416 . 0 0 "[ . 1 . 2 ]" 1
26 1 97 LEU H 1 97 LEU MD2 0.000 . 5.000 2.881 2.260 4.263 . 0 0 "[ . 1 . 2 ]" 1
27 1 99 TRP H 1 99 TRP HD1 0.000 . 5.000 4.717 4.310 5.007 0.007 4 0 "[ . 1 . 2 ]" 1
28 1 106 LYS H 1 106 LYS QD 0.000 . 6.000 4.329 3.667 4.732 . 0 0 "[ . 1 . 2 ]" 1
29 1 106 LYS H 1 106 LYS QG 0.000 . 4.500 3.523 2.025 4.056 . 0 0 "[ . 1 . 2 ]" 1
30 1 107 ASP H 1 107 ASP HA 0.000 . 2.900 2.916 2.768 2.987 0.087 11 0 "[ . 1 . 2 ]" 1
31 1 108 ARG H 1 108 ARG HA 0.000 . 2.900 2.528 2.331 2.937 0.037 11 0 "[ . 1 . 2 ]" 1
32 1 111 CYS H 1 111 CYS QB 0.000 . 3.500 2.911 2.577 3.259 . 0 0 "[ . 1 . 2 ]" 1
33 1 115 GLN H 1 115 GLN QG 0.000 . 4.500 3.279 1.795 4.034 . 0 0 "[ . 1 . 2 ]" 1
34 1 117 LEU HA 1 117 LEU MD2 0.000 . 4.800 2.401 1.967 3.011 . 0 0 "[ . 1 . 2 ]" 1
35 1 124 ILE HA 1 124 ILE MD 0.000 . 4.800 3.338 2.778 3.696 . 0 0 "[ . 1 . 2 ]" 1
36 1 127 LEU H 1 127 LEU QD 0.000 . 5.200 3.637 3.304 3.757 . 0 0 "[ . 1 . 2 ]" 1
37 1 130 ALA H 1 130 ALA HA 0.000 . 2.900 2.941 2.888 2.979 0.079 18 0 "[ . 1 . 2 ]" 1
38 1 133 VAL H 1 133 VAL HA 0.000 . 2.900 2.956 2.907 2.985 0.085 14 0 "[ . 1 . 2 ]" 1
39 1 133 VAL H 1 133 VAL HB 0.000 . 3.500 3.269 2.321 3.715 0.215 18 0 "[ . 1 . 2 ]" 1
40 1 134 GLU H 1 134 GLU HA 0.000 . 2.900 2.912 2.349 2.986 0.086 1 0 "[ . 1 . 2 ]" 1
41 1 134 GLU H 1 134 GLU QB 0.000 . 3.500 2.680 2.025 3.315 . 0 0 "[ . 1 . 2 ]" 1
42 1 134 GLU H 1 134 GLU QG 0.000 . 3.900 2.577 1.676 3.912 0.012 12 0 "[ . 1 . 2 ]" 1
43 1 135 VAL H 1 135 VAL HA 0.000 . 2.900 2.714 2.367 2.974 0.074 4 0 "[ . 1 . 2 ]" 1
44 1 135 VAL H 1 135 VAL HB 0.000 . 2.900 2.902 2.588 3.272 0.372 15 0 "[ . 1 . 2 ]" 1
45 1 136 GLU H 1 136 GLU HA 0.000 . 2.900 2.844 2.314 2.989 0.089 10 0 "[ . 1 . 2 ]" 1
46 1 136 GLU H 1 136 GLU QB 0.000 . 3.500 2.597 2.091 3.420 . 0 0 "[ . 1 . 2 ]" 1
47 1 136 GLU H 1 136 GLU QG 0.000 . 3.900 2.396 1.661 3.771 . 0 0 "[ . 1 . 2 ]" 1
48 1 137 ALA H 1 137 ALA HA 0.000 . 2.900 2.749 2.335 2.989 0.089 17 0 "[ . 1 . 2 ]" 1
49 1 138 GLU H 1 138 GLU QB 0.000 . 3.500 2.595 2.070 3.316 . 0 0 "[ . 1 . 2 ]" 1
50 1 138 GLU H 1 138 GLU QG 0.000 . 3.900 2.556 1.684 3.495 . 0 0 "[ . 1 . 2 ]" 1
51 1 142 LYS H 1 142 LYS HA 0.000 . 2.900 2.771 2.326 2.989 0.089 5 0 "[ . 1 . 2 ]" 1
52 1 143 LEU HA 1 143 LEU HG 0.000 . 3.300 2.994 2.283 3.623 0.323 13 0 "[ . 1 . 2 ]" 1
53 1 143 LEU H 1 143 LEU QB 0.000 . 3.500 2.533 2.039 3.315 . 0 0 "[ . 1 . 2 ]" 1
54 1 143 LEU H 1 143 LEU QD 0.000 . 4.600 2.638 1.546 3.616 . 0 0 "[ . 1 . 2 ]" 1
55 1 144 LEU HA 1 144 LEU MD2 0.000 . 4.800 3.795 1.912 4.128 . 0 0 "[ . 1 . 2 ]" 1
56 1 144 LEU H 1 144 LEU MD1 0.000 . 5.000 2.410 1.659 4.246 . 0 0 "[ . 1 . 2 ]" 1
57 1 147 GLU H 1 147 GLU HA 0.000 . 2.900 2.921 2.650 2.955 0.055 1 0 "[ . 1 . 2 ]" 1
58 1 147 GLU H 1 147 GLU QB 0.000 . 3.500 2.483 2.179 2.830 . 0 0 "[ . 1 . 2 ]" 1
59 1 147 GLU H 1 147 GLU QG 0.000 . 4.500 2.567 1.688 4.050 . 0 0 "[ . 1 . 2 ]" 1
60 1 148 GLU H 1 148 GLU QB 0.000 . 3.500 2.200 2.049 2.335 . 0 0 "[ . 1 . 2 ]" 1
61 1 149 VAL H 1 149 VAL HB 0.000 . 3.500 3.370 2.950 3.599 0.099 5 0 "[ . 1 . 2 ]" 1
62 1 149 VAL H 1 149 VAL MG1 0.000 . 4.400 1.764 1.593 2.333 . 0 0 "[ . 1 . 2 ]" 1
63 1 152 ARG H 1 152 ARG QB 0.000 . 3.500 2.250 2.133 2.457 . 0 0 "[ . 1 . 2 ]" 1
64 1 153 ILE HA 1 153 ILE MD 0.000 . 4.800 3.788 3.631 3.875 . 0 0 "[ . 1 . 2 ]" 1
65 1 153 ILE H 1 153 ILE HB 0.000 . 2.900 2.268 2.136 2.481 . 0 0 "[ . 1 . 2 ]" 1
66 1 153 ILE H 1 153 ILE QG 0.000 . 4.500 2.565 1.989 2.985 . 0 0 "[ . 1 . 2 ]" 1
67 1 155 LEU H 1 155 LEU QB 0.000 . 3.500 2.203 2.053 2.347 . 0 0 "[ . 1 . 2 ]" 1
68 1 155 LEU H 1 155 LEU QD 0.000 . 5.200 3.311 1.862 3.730 . 0 0 "[ . 1 . 2 ]" 1
69 1 156 LEU H 1 156 LEU QD 0.000 . 4.600 3.355 2.157 3.679 . 0 0 "[ . 1 . 2 ]" 1
70 1 156 LEU H 1 156 LEU HG 0.000 . 5.000 3.990 1.980 4.570 . 0 0 "[ . 1 . 2 ]" 1
71 1 157 VAL H 1 157 VAL HB 0.000 . 3.500 2.895 2.247 3.610 0.110 14 0 "[ . 1 . 2 ]" 1
72 1 159 GLU H 1 159 GLU HA 0.000 . 2.900 2.807 2.336 2.972 0.072 2 0 "[ . 1 . 2 ]" 1
73 1 159 GLU H 1 159 GLU QB 0.000 . 3.500 2.755 2.218 3.268 . 0 0 "[ . 1 . 2 ]" 1
74 1 164 GLN H 1 164 GLN QG 0.000 . 4.500 3.153 1.892 4.092 . 0 0 "[ . 1 . 2 ]" 1
75 1 165 LEU HA 1 165 LEU MD1 0.000 . 4.800 2.105 1.982 2.189 . 0 0 "[ . 1 . 2 ]" 1
76 1 165 LEU H 1 165 LEU HG 0.000 . 5.000 4.393 4.254 4.549 . 0 0 "[ . 1 . 2 ]" 1
77 1 167 LEU H 1 167 LEU MD1 0.000 . 5.000 4.059 4.003 4.116 . 0 0 "[ . 1 . 2 ]" 1
78 1 167 LEU H 1 167 LEU MD2 0.000 . 5.000 4.110 1.877 4.239 . 0 0 "[ . 1 . 2 ]" 1
79 1 167 LEU H 1 167 LEU HG 0.000 . 5.000 4.356 3.791 4.409 . 0 0 "[ . 1 . 2 ]" 1
80 1 168 ASN H 1 168 ASN QB 0.000 . 3.500 2.419 2.127 2.875 . 0 0 "[ . 1 . 2 ]" 1
81 1 169 GLU H 1 169 GLU QG 0.000 . 4.500 2.207 1.653 3.962 . 0 0 "[ . 1 . 2 ]" 1
82 1 171 VAL H 1 171 VAL HB 0.000 . 3.500 3.303 2.219 3.604 0.104 9 0 "[ . 1 . 2 ]" 1
83 1 171 VAL H 1 171 VAL MG2 0.000 . 4.400 2.117 1.708 2.660 . 0 0 "[ . 1 . 2 ]" 1
84 1 175 ARG H 1 175 ARG HA 0.000 . 2.900 2.917 2.802 2.949 0.049 17 0 "[ . 1 . 2 ]" 1
85 1 175 ARG H 1 175 ARG QB 0.000 . 3.500 2.255 2.187 2.313 . 0 0 "[ . 1 . 2 ]" 1
86 1 176 ARG H 1 176 ARG QD 0.000 . 6.000 4.540 3.893 5.187 . 0 0 "[ . 1 . 2 ]" 1
87 1 178 LYS H 1 178 LYS QB 0.000 . 3.500 2.772 2.241 3.234 . 0 0 "[ . 1 . 2 ]" 1
88 1 179 TRP HA 1 179 TRP HD1 0.000 . 5.000 2.850 2.183 4.407 . 0 0 "[ . 1 . 2 ]" 1
89 1 179 TRP H 1 179 TRP HD1 0.000 . 5.000 4.567 1.689 5.174 0.174 22 0 "[ . 1 . 2 ]" 1
90 1 5 PHE QB 1 6 SER H 0.000 . 6.000 2.691 1.617 3.919 . 0 0 "[ . 1 . 2 ]" 1
91 1 6 SER HA 1 7 TRP H 0.000 . 2.900 2.808 2.137 3.154 0.254 21 0 "[ . 1 . 2 ]" 1
92 1 6 SER QB 1 7 TRP H 0.000 . 6.000 2.098 1.613 3.375 . 0 0 "[ . 1 . 2 ]" 1
93 1 7 TRP QB 1 8 GLU H 0.000 . 6.000 2.939 1.704 4.028 . 0 0 "[ . 1 . 2 ]" 1
94 1 7 TRP HD1 1 8 GLU H 0.000 . 5.000 4.753 1.643 5.320 0.320 13 0 "[ . 1 . 2 ]" 1
95 1 7 TRP HE3 1 8 GLU H 0.000 . 5.000 4.708 2.847 5.238 0.238 8 0 "[ . 1 . 2 ]" 1
96 1 7 TRP H 1 8 GLU H 0.000 . 5.000 3.369 2.340 4.607 . 0 0 "[ . 1 . 2 ]" 1
97 1 8 GLU H 1 9 GLU H 0.000 . 5.000 2.876 2.346 3.461 . 0 0 "[ . 1 . 2 ]" 1
98 1 9 GLU QB 1 10 ALA H 0.000 . 6.000 2.113 1.712 3.008 . 0 0 "[ . 1 . 2 ]" 1
99 1 9 GLU QG 1 10 ALA H 0.000 . 6.000 3.565 1.563 4.333 . 0 0 "[ . 1 . 2 ]" 1
100 1 10 ALA H 1 11 GLU H 0.000 . 5.000 2.836 2.557 2.957 . 0 0 "[ . 1 . 2 ]" 1
101 1 12 GLU HA 1 13 ASN H 0.000 . 2.900 3.197 2.990 3.440 0.540 1 3 "[+ - . 1 *. 2 ]" 1
102 1 12 GLU QB 1 13 ASN H 0.000 . 6.000 3.020 1.675 3.676 . 0 0 "[ . 1 . 2 ]" 1
103 1 12 GLU QG 1 13 ASN H 0.000 . 6.000 4.076 2.212 4.879 . 0 0 "[ . 1 . 2 ]" 1
104 1 12 GLU H 1 13 ASN H 0.000 . 5.000 2.676 2.378 3.087 . 0 0 "[ . 1 . 2 ]" 1
105 1 13 ASN HA 1 14 GLY H 0.000 . 5.000 2.739 2.126 3.570 . 0 0 "[ . 1 . 2 ]" 1
106 1 13 ASN QB 1 14 GLY H 0.000 . 6.000 2.857 1.716 4.034 . 0 0 "[ . 1 . 2 ]" 1
107 1 14 GLY QA 1 15 ALA H 0.000 . 3.900 2.484 2.124 2.916 . 0 0 "[ . 1 . 2 ]" 1
108 1 15 ALA HA 1 16 VAL QG 0.000 . 7.400 3.604 3.129 4.311 . 0 0 "[ . 1 . 2 ]" 1
109 1 15 ALA HA 1 16 VAL H 0.000 . 2.900 2.438 2.138 3.005 0.105 15 0 "[ . 1 . 2 ]" 1
110 1 15 ALA MB 1 16 VAL HA 0.000 . 6.500 4.412 3.999 4.946 . 0 0 "[ . 1 . 2 ]" 1
111 1 15 ALA MB 1 16 VAL H 0.000 . 4.400 3.286 1.747 3.713 . 0 0 "[ . 1 . 2 ]" 1
112 1 15 ALA H 1 16 VAL H 0.000 . 5.000 3.716 2.209 4.564 . 0 0 "[ . 1 . 2 ]" 1
113 1 16 VAL HB 1 17 GLY H 0.000 . 5.000 3.717 1.694 4.478 . 0 0 "[ . 1 . 2 ]" 1
114 1 16 VAL QG 1 17 GLY H 0.000 . 5.900 2.723 1.669 3.719 . 0 0 "[ . 1 . 2 ]" 1
115 1 17 GLY QA 1 18 ALA H 0.000 . 4.500 2.403 2.117 2.912 . 0 0 "[ . 1 . 2 ]" 1
116 1 17 GLY H 1 18 ALA MB 0.000 . 6.500 4.437 3.232 5.393 . 0 0 "[ . 1 . 2 ]" 1
117 1 17 GLY H 1 18 ALA H 0.000 . 5.000 3.481 1.563 4.523 . 0 0 "[ . 1 . 2 ]" 1
118 1 18 ALA H 1 19 ALA H 0.000 . 5.000 3.005 1.543 4.669 . 0 0 "[ . 1 . 2 ]" 1
119 1 19 ALA HA 1 20 ASP H 0.000 . 5.000 3.271 2.884 3.573 . 0 0 "[ . 1 . 2 ]" 1
120 1 19 ALA MB 1 20 ASP QB 0.000 . 7.500 4.466 3.520 5.064 . 0 0 "[ . 1 . 2 ]" 1
121 1 19 ALA MB 1 20 ASP H 0.000 . 4.400 3.038 1.988 3.638 . 0 0 "[ . 1 . 2 ]" 1
122 1 19 ALA H 1 20 ASP H 0.000 . 5.000 2.530 1.608 3.067 . 0 0 "[ . 1 . 2 ]" 1
123 1 20 ASP HA 1 21 ALA H 0.000 . 5.000 3.528 3.492 3.573 . 0 0 "[ . 1 . 2 ]" 1
124 1 20 ASP QB 1 21 ALA MB 0.000 . 5.800 3.503 3.291 3.845 . 0 0 "[ . 1 . 2 ]" 1
125 1 20 ASP QB 1 21 ALA H 0.000 . 4.500 1.865 1.666 2.255 . 0 0 "[ . 1 . 2 ]" 1
126 1 20 ASP H 1 21 ALA H 0.000 . 3.500 3.267 2.991 3.478 . 0 0 "[ . 1 . 2 ]" 1
127 1 21 ALA HA 1 22 ALA H 0.000 . 3.500 3.538 3.478 3.563 0.063 14 0 "[ . 1 . 2 ]" 1
128 1 21 ALA H 1 22 ALA H 0.000 . 3.500 2.936 2.645 3.184 . 0 0 "[ . 1 . 2 ]" 1
129 1 22 ALA H 1 23 GLN H 0.000 . 2.900 2.864 2.761 2.956 0.056 15 0 "[ . 1 . 2 ]" 1
130 1 23 GLN QB 1 24 LEU H 0.000 . 6.000 2.565 2.345 2.733 . 0 0 "[ . 1 . 2 ]" 1
131 1 24 LEU QB 1 25 GLN QB 0.000 . 7.000 4.022 3.714 4.429 . 0 0 "[ . 1 . 2 ]" 1
132 1 24 LEU H 1 25 GLN H 0.000 . 3.500 2.663 2.503 2.837 . 0 0 "[ . 1 . 2 ]" 1
133 1 25 GLN H 1 26 GLU H 0.000 . 5.000 2.819 2.667 3.026 . 0 0 "[ . 1 . 2 ]" 1
134 1 27 TRP QB 1 28 TYR H 0.000 . 6.000 2.612 1.928 2.885 . 0 0 "[ . 1 . 2 ]" 1
135 1 27 TRP H 1 28 TYR H 0.000 . 5.000 2.606 2.438 3.123 . 0 0 "[ . 1 . 2 ]" 1
136 1 28 TYR QB 1 29 LYS H 0.000 . 6.000 2.662 2.392 3.265 . 0 0 "[ . 1 . 2 ]" 1
137 1 28 TYR QD 1 29 LYS HA 0.000 . 7.000 3.574 2.716 4.790 . 0 0 "[ . 1 . 2 ]" 1
138 1 28 TYR QD 1 29 LYS H 0.000 . 7.000 3.694 2.494 4.678 . 0 0 "[ . 1 . 2 ]" 1
139 1 28 TYR H 1 29 LYS HA 0.000 . 5.000 5.147 5.060 5.384 0.384 15 0 "[ . 1 . 2 ]" 1
140 1 28 TYR H 1 29 LYS H 0.000 . 5.000 2.487 2.355 2.839 . 0 0 "[ . 1 . 2 ]" 1
141 1 31 PHE QD 1 32 LEU H 0.000 . 7.000 3.504 2.646 3.991 . 0 0 "[ . 1 . 2 ]" 1
142 1 31 PHE QE 1 32 LEU MD1 0.000 . 8.500 3.447 2.298 4.596 . 0 0 "[ . 1 . 2 ]" 1
143 1 32 LEU MD2 1 33 GLU H 0.000 . 6.500 4.458 3.514 5.258 . 0 0 "[ . 1 . 2 ]" 1
144 1 33 GLU HA 1 34 GLU H 0.000 . 5.000 3.440 2.767 3.541 . 0 0 "[ . 1 . 2 ]" 1
145 1 33 GLU QB 1 34 GLU H 0.000 . 6.000 2.779 2.389 3.847 . 0 0 "[ . 1 . 2 ]" 1
146 1 33 GLU H 1 34 GLU HA 0.000 . 5.000 5.144 5.017 5.287 0.287 8 0 "[ . 1 . 2 ]" 1
147 1 33 GLU H 1 34 GLU H 0.000 . 5.000 2.629 2.341 3.319 . 0 0 "[ . 1 . 2 ]" 1
148 1 34 GLU H 1 35 CYS H 0.000 . 5.000 2.195 1.632 2.667 . 0 0 "[ . 1 . 2 ]" 1
149 1 35 CYS HA 1 36 PRO HD3 0.000 . 3.300 2.462 2.145 2.923 . 0 0 "[ . 1 . 2 ]" 1
150 1 35 CYS HA 1 36 PRO HD2 0.000 . 3.300 2.136 2.110 2.185 . 0 0 "[ . 1 . 2 ]" 1
151 1 35 CYS H 1 36 PRO QB 0.000 . 6.500 5.272 4.809 6.069 . 0 0 "[ . 1 . 2 ]" 1
152 1 35 CYS H 1 36 PRO QD 0.000 . 6.000 2.990 2.282 4.012 . 0 0 "[ . 1 . 2 ]" 1
153 1 36 PRO HA 1 37 SER H 0.000 . 2.900 2.425 2.163 2.954 0.054 11 0 "[ . 1 . 2 ]" 1
154 1 36 PRO QB 1 37 SER H 0.000 . 6.000 3.467 2.070 3.965 . 0 0 "[ . 1 . 2 ]" 1
155 1 36 PRO QD 1 37 SER H 0.000 . 6.000 4.535 3.539 5.036 . 0 0 "[ . 1 . 2 ]" 1
156 1 37 SER QB 1 38 GLY H 0.000 . 6.000 3.038 2.126 3.698 . 0 0 "[ . 1 . 2 ]" 1
157 1 37 SER H 1 38 GLY H 0.000 . 5.000 2.118 1.495 3.641 . 0 0 "[ . 1 . 2 ]" 1
158 1 38 GLY QA 1 39 THR H 0.000 . 6.000 2.651 2.089 2.906 . 0 0 "[ . 1 . 2 ]" 1
159 1 38 GLY H 1 39 THR H 0.000 . 5.000 2.832 2.270 4.593 . 0 0 "[ . 1 . 2 ]" 1
160 1 39 THR HA 1 40 LEU H 0.000 . 5.000 2.290 2.115 2.391 . 0 0 "[ . 1 . 2 ]" 1
161 1 40 LEU HA 1 41 PHE H 0.000 . 5.000 2.223 2.128 2.354 . 0 0 "[ . 1 . 2 ]" 1
162 1 44 GLU QB 1 45 PHE H 0.000 . 6.000 3.032 2.794 3.183 . 0 0 "[ . 1 . 2 ]" 1
163 1 44 GLU H 1 45 PHE H 0.000 . 5.000 2.653 2.403 2.876 . 0 0 "[ . 1 . 2 ]" 1
164 1 45 PHE HA 1 46 LYS H 0.000 . 5.000 3.540 3.501 3.568 . 0 0 "[ . 1 . 2 ]" 1
165 1 45 PHE QB 1 46 LYS H 0.000 . 6.000 2.282 1.932 2.593 . 0 0 "[ . 1 . 2 ]" 1
166 1 45 PHE QD 1 46 LYS H 0.000 . 7.000 3.502 2.520 4.211 . 0 0 "[ . 1 . 2 ]" 1
167 1 45 PHE H 1 46 LYS HA 0.000 . 5.000 5.151 5.074 5.246 0.246 18 0 "[ . 1 . 2 ]" 1
168 1 45 PHE H 1 46 LYS H 0.000 . 5.000 2.514 2.375 2.703 . 0 0 "[ . 1 . 2 ]" 1
169 1 46 LYS HA 1 47 ARG H 0.000 . 5.000 3.515 3.424 3.564 . 0 0 "[ . 1 . 2 ]" 1
170 1 46 LYS QB 1 47 ARG H 0.000 . 4.500 2.643 2.099 3.587 . 0 0 "[ . 1 . 2 ]" 1
171 1 46 LYS QG 1 47 ARG H 0.000 . 6.000 3.438 1.890 4.192 . 0 0 "[ . 1 . 2 ]" 1
172 1 46 LYS H 1 47 ARG H 0.000 . 5.000 2.698 2.538 2.847 . 0 0 "[ . 1 . 2 ]" 1
173 1 47 ARG H 1 48 PHE H 0.000 . 5.000 2.929 2.567 3.144 . 0 0 "[ . 1 . 2 ]" 1
174 1 51 VAL QG 1 52 PRO QD 0.000 . 6.700 2.250 1.821 3.374 . 0 0 "[ . 1 . 2 ]" 1
175 1 52 PRO HA 1 53 ASP H 0.000 . 2.900 2.390 2.133 3.052 0.152 9 0 "[ . 1 . 2 ]" 1
176 1 53 ASP H 1 54 ASN H 0.000 . 5.000 3.305 1.500 4.665 . 0 0 "[ . 1 . 2 ]" 1
177 1 54 ASN H 1 55 GLU H 0.000 . 5.000 3.613 1.671 4.659 . 0 0 "[ . 1 . 2 ]" 1
178 1 56 GLU H 1 57 ALA H 0.000 . 5.000 2.822 1.881 3.458 . 0 0 "[ . 1 . 2 ]" 1
179 1 57 ALA HA 1 58 THR HA 0.000 . 5.000 4.600 4.528 4.714 . 0 0 "[ . 1 . 2 ]" 1
180 1 57 ALA MB 1 58 THR H 0.000 . 5.000 3.571 3.138 3.706 . 0 0 "[ . 1 . 2 ]" 1
181 1 57 ALA H 1 58 THR H 0.000 . 3.500 2.993 1.993 3.410 . 0 0 "[ . 1 . 2 ]" 1
182 1 58 THR HA 1 59 GLN H 0.000 . 5.000 3.446 3.375 3.534 . 0 0 "[ . 1 . 2 ]" 1
183 1 58 THR HB 1 59 GLN H 0.000 . 5.000 3.375 2.696 4.175 . 0 0 "[ . 1 . 2 ]" 1
184 1 58 THR MG 1 59 GLN H 0.000 . 6.500 2.951 1.660 4.041 . 0 0 "[ . 1 . 2 ]" 1
185 1 58 THR H 1 59 GLN HA 0.000 . 5.000 4.800 4.607 4.943 . 0 0 "[ . 1 . 2 ]" 1
186 1 58 THR H 1 59 GLN QB 0.000 . 4.500 3.778 3.629 3.918 . 0 0 "[ . 1 . 2 ]" 1
187 1 58 THR H 1 59 GLN QG 0.000 . 6.000 5.104 3.442 5.592 . 0 0 "[ . 1 . 2 ]" 1
188 1 58 THR H 1 59 GLN H 0.000 . 5.000 2.100 1.880 2.335 . 0 0 "[ . 1 . 2 ]" 1
189 1 59 GLN H 1 60 TYR H 0.000 . 5.000 2.702 2.414 2.909 . 0 0 "[ . 1 . 2 ]" 1
190 1 60 TYR QD 1 61 VAL QG 0.000 . 7.700 2.682 2.036 3.399 . 0 0 "[ . 1 . 2 ]" 1
191 1 60 TYR QD 1 61 VAL H 0.000 . 7.000 3.085 2.436 3.753 . 0 0 "[ . 1 . 2 ]" 1
192 1 60 TYR H 1 61 VAL H 0.000 . 5.000 2.877 2.710 3.121 . 0 0 "[ . 1 . 2 ]" 1
193 1 61 VAL HA 1 62 GLU HA 0.000 . 5.000 4.847 4.723 4.896 . 0 0 "[ . 1 . 2 ]" 1
194 1 61 VAL QG 1 62 GLU HA 0.000 . 7.400 3.433 3.062 3.859 . 0 0 "[ . 1 . 2 ]" 1
195 1 61 VAL H 1 62 GLU H 0.000 . 5.000 2.806 2.506 3.083 . 0 0 "[ . 1 . 2 ]" 1
196 1 62 GLU QB 1 63 ALA MB 0.000 . 5.800 3.784 3.563 3.961 . 0 0 "[ . 1 . 2 ]" 1
197 1 63 ALA HA 1 64 MET ME 0.000 . 7.500 6.060 5.046 6.312 . 0 0 "[ . 1 . 2 ]" 1
198 1 63 ALA MB 1 64 MET QB 0.000 . 7.500 4.026 3.739 4.471 . 0 0 "[ . 1 . 2 ]" 1
199 1 64 MET ME 1 65 PHE HA 0.000 . 7.500 5.793 4.923 6.133 . 0 0 "[ . 1 . 2 ]" 1
200 1 64 MET H 1 65 PHE H 0.000 . 5.000 2.842 2.443 3.132 . 0 0 "[ . 1 . 2 ]" 1
201 1 65 PHE QB 1 66 ARG H 0.000 . 6.000 2.706 2.172 3.188 . 0 0 "[ . 1 . 2 ]" 1
202 1 65 PHE QD 1 66 ARG H 0.000 . 7.000 3.583 2.623 4.305 . 0 0 "[ . 1 . 2 ]" 1
203 1 65 PHE H 1 66 ARG H 0.000 . 5.000 2.684 2.305 2.952 . 0 0 "[ . 1 . 2 ]" 1
204 1 66 ARG HA 1 67 ALA H 0.000 . 5.000 3.581 3.551 3.616 . 0 0 "[ . 1 . 2 ]" 1
205 1 66 ARG QB 1 67 ALA MB 0.000 . 7.500 3.467 3.211 3.768 . 0 0 "[ . 1 . 2 ]" 1
206 1 66 ARG QB 1 67 ALA H 0.000 . 6.000 2.116 1.836 2.576 . 0 0 "[ . 1 . 2 ]" 1
207 1 66 ARG QG 1 67 ALA H 0.000 . 6.000 3.607 2.505 4.201 . 0 0 "[ . 1 . 2 ]" 1
208 1 66 ARG H 1 67 ALA H 0.000 . 5.000 2.838 2.510 3.145 . 0 0 "[ . 1 . 2 ]" 1
209 1 67 ALA MB 1 68 PHE HA 0.000 . 6.500 3.866 3.709 3.986 . 0 0 "[ . 1 . 2 ]" 1
210 1 67 ALA MB 1 68 PHE H 0.000 . 6.500 2.945 2.492 3.184 . 0 0 "[ . 1 . 2 ]" 1
211 1 67 ALA H 1 68 PHE H 0.000 . 3.500 2.704 2.448 2.949 . 0 0 "[ . 1 . 2 ]" 1
212 1 68 PHE HA 1 69 ASP H 0.000 . 5.000 3.501 3.173 3.583 . 0 0 "[ . 1 . 2 ]" 1
213 1 68 PHE QB 1 69 ASP H 0.000 . 6.000 2.459 1.749 3.485 . 0 0 "[ . 1 . 2 ]" 1
214 1 68 PHE H 1 69 ASP HA 0.000 . 5.000 5.084 4.818 5.290 0.290 22 0 "[ . 1 . 2 ]" 1
215 1 68 PHE H 1 69 ASP H 0.000 . 5.000 2.495 2.292 3.138 . 0 0 "[ . 1 . 2 ]" 1
216 1 69 ASP H 1 70 THR MG 0.000 . 6.500 4.637 3.271 5.427 . 0 0 "[ . 1 . 2 ]" 1
217 1 70 THR HA 1 71 ASN H 0.000 . 3.500 3.306 2.070 3.567 0.067 18 0 "[ . 1 . 2 ]" 1
218 1 70 THR HB 1 71 ASN H 0.000 . 3.500 2.886 1.502 3.586 0.086 16 0 "[ . 1 . 2 ]" 1
219 1 70 THR MG 1 71 ASN H 0.000 . 6.500 3.511 1.535 4.397 . 0 0 "[ . 1 . 2 ]" 1
220 1 71 ASN HA 1 72 GLY H 0.000 . 5.000 3.307 2.001 3.570 . 0 0 "[ . 1 . 2 ]" 1
221 1 71 ASN QB 1 72 GLY H 0.000 . 6.000 3.361 2.263 4.065 . 0 0 "[ . 1 . 2 ]" 1
222 1 71 ASN H 1 72 GLY QA 0.000 . 6.000 4.603 3.526 5.222 . 0 0 "[ . 1 . 2 ]" 1
223 1 71 ASN H 1 72 GLY H 0.000 . 3.500 2.843 1.418 4.167 0.667 6 1 "[ .+ 1 . 2 ]" 1
224 1 72 GLY H 1 73 ASP H 0.000 . 3.500 2.728 1.893 3.447 . 0 0 "[ . 1 . 2 ]" 1
225 1 73 ASP HA 1 74 ASN H 0.000 . 5.000 3.355 3.049 3.557 . 0 0 "[ . 1 . 2 ]" 1
226 1 73 ASP QB 1 74 ASN H 0.000 . 6.000 3.475 2.107 3.981 . 0 0 "[ . 1 . 2 ]" 1
227 1 73 ASP H 1 74 ASN H 0.000 . 5.000 2.210 1.531 3.156 . 0 0 "[ . 1 . 2 ]" 1
228 1 74 ASN HA 1 75 THR H 0.000 . 3.500 3.100 2.778 3.408 . 0 0 "[ . 1 . 2 ]" 1
229 1 74 ASN QB 1 75 THR H 0.000 . 6.000 3.626 3.054 4.048 . 0 0 "[ . 1 . 2 ]" 1
230 1 74 ASN H 1 75 THR H 0.000 . 3.500 2.666 1.592 2.967 . 0 0 "[ . 1 . 2 ]" 1
231 1 75 THR HA 1 76 ILE HB 0.000 . 5.000 4.433 4.128 4.988 . 0 0 "[ . 1 . 2 ]" 1
232 1 75 THR HA 1 76 ILE H 0.000 . 5.000 2.247 2.132 2.356 . 0 0 "[ . 1 . 2 ]" 1
233 1 75 THR HB 1 76 ILE H 0.000 . 5.000 3.519 2.779 4.328 . 0 0 "[ . 1 . 2 ]" 1
234 1 75 THR MG 1 76 ILE H 0.000 . 6.500 3.234 2.017 4.112 . 0 0 "[ . 1 . 2 ]" 1
235 1 75 THR H 1 76 ILE H 0.000 . 5.000 4.365 4.108 4.531 . 0 0 "[ . 1 . 2 ]" 1
236 1 76 ILE HA 1 77 ASP H 0.000 . 3.500 2.162 2.103 2.295 . 0 0 "[ . 1 . 2 ]" 1
237 1 76 ILE HB 1 77 ASP H 0.000 . 5.000 4.318 3.531 4.578 . 0 0 "[ . 1 . 2 ]" 1
238 1 76 ILE MD 1 77 ASP H 0.000 . 6.500 4.284 2.876 5.224 . 0 0 "[ . 1 . 2 ]" 1
239 1 76 ILE MG 1 77 ASP H 0.000 . 6.500 3.071 2.091 4.047 . 0 0 "[ . 1 . 2 ]" 1
240 1 77 ASP HA 1 78 PHE H 0.000 . 5.000 2.339 2.299 2.368 . 0 0 "[ . 1 . 2 ]" 1
241 1 77 ASP QB 1 78 PHE H 0.000 . 6.000 2.947 2.503 3.438 . 0 0 "[ . 1 . 2 ]" 1
242 1 78 PHE QB 1 79 LEU H 0.000 . 6.000 2.392 1.884 2.995 . 0 0 "[ . 1 . 2 ]" 1
243 1 78 PHE QD 1 79 LEU MD2 0.000 . 6.800 3.559 2.119 5.943 . 0 0 "[ . 1 . 2 ]" 1
244 1 78 PHE QD 1 79 LEU H 0.000 . 7.000 3.375 2.361 4.272 . 0 0 "[ . 1 . 2 ]" 1
245 1 78 PHE H 1 79 LEU H 0.000 . 5.000 3.064 2.880 3.415 . 0 0 "[ . 1 . 2 ]" 1
246 1 79 LEU HA 1 80 GLU H 0.000 . 5.000 3.579 3.558 3.597 . 0 0 "[ . 1 . 2 ]" 1
247 1 79 LEU QB 1 80 GLU H 0.000 . 6.000 2.138 1.876 2.371 . 0 0 "[ . 1 . 2 ]" 1
248 1 79 LEU MD1 1 80 GLU H 0.000 . 6.500 4.307 3.830 4.649 . 0 0 "[ . 1 . 2 ]" 1
249 1 79 LEU H 1 80 GLU H 0.000 . 5.000 2.956 2.692 3.286 . 0 0 "[ . 1 . 2 ]" 1
250 1 80 GLU QB 1 81 TYR H 0.000 . 6.000 2.315 1.858 2.615 . 0 0 "[ . 1 . 2 ]" 1
251 1 80 GLU H 1 81 TYR H 0.000 . 5.000 2.995 2.796 3.192 . 0 0 "[ . 1 . 2 ]" 1
252 1 81 TYR HA 1 82 VAL H 0.000 . 5.000 3.552 3.507 3.575 . 0 0 "[ . 1 . 2 ]" 1
253 1 81 TYR QB 1 82 VAL H 0.000 . 6.000 2.486 2.172 3.340 . 0 0 "[ . 1 . 2 ]" 1
254 1 81 TYR QD 1 82 VAL HA 0.000 . 7.000 3.639 2.785 3.924 . 0 0 "[ . 1 . 2 ]" 1
255 1 81 TYR QD 1 82 VAL HB 0.000 . 7.000 4.240 3.693 4.600 . 0 0 "[ . 1 . 2 ]" 1
256 1 81 TYR QD 1 82 VAL MG1 0.000 . 6.200 4.740 4.520 4.925 . 0 0 "[ . 1 . 2 ]" 1
257 1 81 TYR QD 1 82 VAL MG2 0.000 . 6.800 2.381 2.124 3.248 . 0 0 "[ . 1 . 2 ]" 1
258 1 81 TYR QD 1 82 VAL H 0.000 . 7.000 2.755 2.287 3.252 . 0 0 "[ . 1 . 2 ]" 1
259 1 81 TYR QE 1 82 VAL MG2 0.000 . 6.800 2.671 2.188 3.344 . 0 0 "[ . 1 . 2 ]" 1
260 1 81 TYR H 1 82 VAL MG2 0.000 . 6.500 4.693 4.171 5.071 . 0 0 "[ . 1 . 2 ]" 1
261 1 81 TYR H 1 82 VAL H 0.000 . 5.000 2.907 2.585 3.217 . 0 0 "[ . 1 . 2 ]" 1
262 1 82 VAL HB 1 83 ALA H 0.000 . 5.000 2.718 2.436 3.062 . 0 0 "[ . 1 . 2 ]" 1
263 1 82 VAL MG1 1 83 ALA H 0.000 . 6.500 3.146 2.653 3.806 . 0 0 "[ . 1 . 2 ]" 1
264 1 82 VAL MG2 1 83 ALA MB 0.000 . 8.000 5.137 4.970 5.264 . 0 0 "[ . 1 . 2 ]" 1
265 1 82 VAL MG2 1 83 ALA H 0.000 . 6.500 3.994 3.788 4.170 . 0 0 "[ . 1 . 2 ]" 1
266 1 82 VAL H 1 83 ALA MB 0.000 . 6.500 4.369 4.124 4.629 . 0 0 "[ . 1 . 2 ]" 1
267 1 82 VAL H 1 83 ALA H 0.000 . 5.000 2.775 2.447 3.082 . 0 0 "[ . 1 . 2 ]" 1
268 1 83 ALA MB 1 84 ALA HA 0.000 . 6.500 3.708 3.584 3.807 . 0 0 "[ . 1 . 2 ]" 1
269 1 83 ALA MB 1 84 ALA MB 0.000 . 8.000 3.666 3.474 3.817 . 0 0 "[ . 1 . 2 ]" 1
270 1 83 ALA MB 1 84 ALA H 0.000 . 5.000 2.446 2.086 2.664 . 0 0 "[ . 1 . 2 ]" 1
271 1 83 ALA H 1 84 ALA MB 0.000 . 6.500 4.380 4.157 4.471 . 0 0 "[ . 1 . 2 ]" 1
272 1 83 ALA H 1 84 ALA H 0.000 . 5.000 2.761 2.518 2.849 . 0 0 "[ . 1 . 2 ]" 1
273 1 84 ALA MB 1 85 LEU MD1 0.000 . 8.000 4.608 4.349 5.063 . 0 0 "[ . 1 . 2 ]" 1
274 1 84 ALA MB 1 85 LEU MD2 0.000 . 6.300 3.079 2.307 3.525 . 0 0 "[ . 1 . 2 ]" 1
275 1 84 ALA MB 1 85 LEU HG 0.000 . 6.500 3.565 3.190 5.370 . 0 0 "[ . 1 . 2 ]" 1
276 1 84 ALA MB 1 85 LEU H 0.000 . 6.500 2.381 2.230 2.622 . 0 0 "[ . 1 . 2 ]" 1
277 1 84 ALA H 1 85 LEU H 0.000 . 5.000 2.729 2.477 2.909 . 0 0 "[ . 1 . 2 ]" 1
278 1 85 LEU QB 1 86 ASN H 0.000 . 6.000 1.941 1.742 2.324 . 0 0 "[ . 1 . 2 ]" 1
279 1 85 LEU MD1 1 86 ASN HA 0.000 . 6.500 5.299 3.918 5.470 . 0 0 "[ . 1 . 2 ]" 1
280 1 85 LEU MD1 1 86 ASN H 0.000 . 6.500 3.828 3.564 4.476 . 0 0 "[ . 1 . 2 ]" 1
281 1 85 LEU H 1 86 ASN H 0.000 . 5.000 3.057 2.836 3.191 . 0 0 "[ . 1 . 2 ]" 1
282 1 86 ASN QB 1 87 LEU H 0.000 . 6.000 2.596 2.285 3.519 . 0 0 "[ . 1 . 2 ]" 1
283 1 86 ASN H 1 87 LEU H 0.000 . 5.000 2.901 2.677 3.023 . 0 0 "[ . 1 . 2 ]" 1
284 1 87 LEU QB 1 88 VAL H 0.000 . 6.000 2.280 1.901 3.197 . 0 0 "[ . 1 . 2 ]" 1
285 1 87 LEU H 1 88 VAL H 0.000 . 5.000 2.766 2.396 3.124 . 0 0 "[ . 1 . 2 ]" 1
286 1 88 VAL HB 1 89 LEU H 0.000 . 5.000 2.525 1.756 4.310 . 0 0 "[ . 1 . 2 ]" 1
287 1 88 VAL QG 1 89 LEU H 0.000 . 7.400 2.557 1.476 3.732 . 0 0 "[ . 1 . 2 ]" 1
288 1 88 VAL H 1 89 LEU H 0.000 . 5.000 2.694 2.282 3.132 . 0 0 "[ . 1 . 2 ]" 1
289 1 89 LEU HA 1 90 ARG H 0.000 . 5.000 2.698 2.135 3.562 . 0 0 "[ . 1 . 2 ]" 1
290 1 89 LEU QB 1 90 ARG H 0.000 . 6.000 3.052 1.681 3.863 . 0 0 "[ . 1 . 2 ]" 1
291 1 89 LEU MD2 1 90 ARG H 0.000 . 6.500 4.211 1.824 5.559 . 0 0 "[ . 1 . 2 ]" 1
292 1 89 LEU H 1 90 ARG H 0.000 . 5.000 3.887 1.514 4.654 . 0 0 "[ . 1 . 2 ]" 1
293 1 90 ARG QB 1 91 GLY H 0.000 . 6.000 3.031 1.673 4.024 . 0 0 "[ . 1 . 2 ]" 1
294 1 93 LEU HA 1 94 GLU H 0.000 . 5.000 2.625 2.140 3.570 . 0 0 "[ . 1 . 2 ]" 1
295 1 93 LEU QD 1 94 GLU H 0.000 . 7.400 3.237 1.595 3.946 . 0 0 "[ . 1 . 2 ]" 1
296 1 94 GLU HA 1 95 HIS H 0.000 . 5.000 3.380 3.328 3.514 . 0 0 "[ . 1 . 2 ]" 1
297 1 94 GLU QB 1 95 HIS H 0.000 . 6.000 3.499 2.934 3.765 . 0 0 "[ . 1 . 2 ]" 1
298 1 94 GLU H 1 95 HIS H 0.000 . 5.000 2.585 2.327 3.013 . 0 0 "[ . 1 . 2 ]" 1
299 1 95 HIS QB 1 96 LYS H 0.000 . 6.000 3.103 2.516 3.723 . 0 0 "[ . 1 . 2 ]" 1
300 1 95 HIS H 1 96 LYS H 0.000 . 5.000 2.860 2.745 3.066 . 0 0 "[ . 1 . 2 ]" 1
301 1 96 LYS H 1 97 LEU H 0.000 . 5.000 2.680 2.400 2.956 . 0 0 "[ . 1 . 2 ]" 1
302 1 97 LEU MD2 1 98 LYS H 0.000 . 6.500 4.295 3.376 4.489 . 0 0 "[ . 1 . 2 ]" 1
303 1 98 LYS HA 1 99 TRP H 0.000 . 5.000 3.552 3.499 3.583 . 0 0 "[ . 1 . 2 ]" 1
304 1 98 LYS H 1 99 TRP H 0.000 . 3.500 2.740 2.502 2.968 . 0 0 "[ . 1 . 2 ]" 1
305 1 99 TRP QB 1 100 THR H 0.000 . 6.000 2.428 2.083 2.883 . 0 0 "[ . 1 . 2 ]" 1
306 1 99 TRP H 1 100 THR H 0.000 . 5.000 2.826 2.584 3.066 . 0 0 "[ . 1 . 2 ]" 1
307 1 100 THR HA 1 101 PHE H 0.000 . 5.000 3.543 3.475 3.569 . 0 0 "[ . 1 . 2 ]" 1
308 1 100 THR MG 1 101 PHE H 0.000 . 6.500 2.492 1.642 3.578 . 0 0 "[ . 1 . 2 ]" 1
309 1 100 THR H 1 101 PHE H 0.000 . 5.000 2.726 2.520 2.907 . 0 0 "[ . 1 . 2 ]" 1
310 1 101 PHE QB 1 102 LYS H 0.000 . 6.000 2.761 2.363 3.020 . 0 0 "[ . 1 . 2 ]" 1
311 1 101 PHE QD 1 102 LYS HA 0.000 . 7.000 3.029 2.527 3.980 . 0 0 "[ . 1 . 2 ]" 1
312 1 101 PHE QD 1 102 LYS H 0.000 . 7.000 3.539 3.050 4.218 . 0 0 "[ . 1 . 2 ]" 1
313 1 101 PHE H 1 102 LYS H 0.000 . 5.000 2.668 2.504 2.816 . 0 0 "[ . 1 . 2 ]" 1
314 1 102 LYS HA 1 103 ILE H 0.000 . 5.000 3.558 3.502 3.608 . 0 0 "[ . 1 . 2 ]" 1
315 1 102 LYS QB 1 103 ILE MD 0.000 . 7.500 4.953 4.743 5.225 . 0 0 "[ . 1 . 2 ]" 1
316 1 102 LYS QB 1 103 ILE H 0.000 . 4.500 2.463 2.278 2.715 . 0 0 "[ . 1 . 2 ]" 1
317 1 102 LYS H 1 103 ILE QG 0.000 . 6.000 5.104 4.472 5.373 . 0 0 "[ . 1 . 2 ]" 1
318 1 102 LYS H 1 103 ILE H 0.000 . 5.000 2.630 2.419 2.859 . 0 0 "[ . 1 . 2 ]" 1
319 1 103 ILE MD 1 104 TYR QE 0.000 . 8.500 5.708 4.433 6.249 . 0 0 "[ . 1 . 2 ]" 1
320 1 103 ILE MG 1 104 TYR HA 0.000 . 6.500 2.859 2.719 3.235 . 0 0 "[ . 1 . 2 ]" 1
321 1 103 ILE MG 1 104 TYR QE 0.000 . 8.500 3.650 3.203 4.046 . 0 0 "[ . 1 . 2 ]" 1
322 1 104 TYR HA 1 105 ASP H 0.000 . 5.000 3.374 2.808 3.572 . 0 0 "[ . 1 . 2 ]" 1
323 1 104 TYR QB 1 105 ASP H 0.000 . 6.000 2.952 2.183 3.828 . 0 0 "[ . 1 . 2 ]" 1
324 1 104 TYR QD 1 105 ASP H 0.000 . 7.000 4.492 4.092 4.848 . 0 0 "[ . 1 . 2 ]" 1
325 1 105 ASP HA 1 106 LYS H 0.000 . 3.500 2.413 2.167 3.510 0.010 22 0 "[ . 1 . 2 ]" 1
326 1 105 ASP QB 1 106 LYS H 0.000 . 6.000 3.896 2.446 4.045 . 0 0 "[ . 1 . 2 ]" 1
327 1 105 ASP H 1 106 LYS H 0.000 . 5.000 3.722 2.223 4.308 . 0 0 "[ . 1 . 2 ]" 1
328 1 106 LYS HA 1 107 ASP H 0.000 . 3.500 3.475 3.070 3.563 0.063 4 0 "[ . 1 . 2 ]" 1
329 1 106 LYS QB 1 107 ASP H 0.000 . 4.500 2.710 1.744 4.043 . 0 0 "[ . 1 . 2 ]" 1
330 1 106 LYS QG 1 107 ASP H 0.000 . 6.000 3.580 1.949 4.342 . 0 0 "[ . 1 . 2 ]" 1
331 1 106 LYS H 1 107 ASP H 0.000 . 5.000 2.752 2.265 3.534 . 0 0 "[ . 1 . 2 ]" 1
332 1 107 ASP QB 1 108 ARG H 0.000 . 6.000 3.105 1.795 3.996 . 0 0 "[ . 1 . 2 ]" 1
333 1 107 ASP H 1 108 ARG H 0.000 . 2.900 2.846 2.319 3.208 0.308 18 0 "[ . 1 . 2 ]" 1
334 1 108 ARG HA 1 109 ASN H 0.000 . 2.900 2.430 2.124 3.353 0.453 14 0 "[ . 1 . 2 ]" 1
335 1 108 ARG QB 1 109 ASN H 0.000 . 6.000 3.821 2.675 4.055 . 0 0 "[ . 1 . 2 ]" 1
336 1 108 ARG H 1 109 ASN H 0.000 . 3.500 3.237 1.965 3.538 0.038 13 0 "[ . 1 . 2 ]" 1
337 1 109 ASN HA 1 110 GLY H 0.000 . 5.000 3.324 3.025 3.529 . 0 0 "[ . 1 . 2 ]" 1
338 1 109 ASN QB 1 110 GLY H 0.000 . 6.000 3.524 2.676 3.872 . 0 0 "[ . 1 . 2 ]" 1
339 1 109 ASN H 1 110 GLY H 0.000 . 2.900 1.950 1.502 3.090 0.190 14 0 "[ . 1 . 2 ]" 1
340 1 110 GLY QA 1 111 CYS H 0.000 . 4.500 2.888 2.788 2.924 . 0 0 "[ . 1 . 2 ]" 1
341 1 110 GLY H 1 111 CYS H 0.000 . 2.900 2.353 1.670 2.776 . 0 0 "[ . 1 . 2 ]" 1
342 1 111 CYS HA 1 112 ILE HA 0.000 . 5.000 4.423 4.351 4.467 . 0 0 "[ . 1 . 2 ]" 1
343 1 111 CYS HA 1 112 ILE H 0.000 . 3.500 2.308 2.158 2.376 . 0 0 "[ . 1 . 2 ]" 1
344 1 111 CYS QB 1 112 ILE H 0.000 . 6.000 2.774 2.505 3.421 . 0 0 "[ . 1 . 2 ]" 1
345 1 111 CYS H 1 112 ILE H 0.000 . 5.000 4.401 4.259 4.453 . 0 0 "[ . 1 . 2 ]" 1
346 1 112 ILE HA 1 113 ASP H 0.000 . 2.900 2.255 2.135 2.411 . 0 0 "[ . 1 . 2 ]" 1
347 1 112 ILE MD 1 113 ASP H 0.000 . 6.500 4.704 3.426 5.220 . 0 0 "[ . 1 . 2 ]" 1
348 1 112 ILE QG 1 113 ASP H 0.000 . 6.000 3.996 3.692 4.509 . 0 0 "[ . 1 . 2 ]" 1
349 1 112 ILE MG 1 113 ASP QB 0.000 . 7.500 4.012 3.744 4.319 . 0 0 "[ . 1 . 2 ]" 1
350 1 112 ILE MG 1 113 ASP H 0.000 . 6.500 2.128 1.667 2.737 . 0 0 "[ . 1 . 2 ]" 1
351 1 112 ILE H 1 113 ASP QB 0.000 . 6.000 5.306 5.148 5.562 . 0 0 "[ . 1 . 2 ]" 1
352 1 113 ASP HA 1 114 ARG H 0.000 . 3.500 2.322 2.211 2.356 . 0 0 "[ . 1 . 2 ]" 1
353 1 113 ASP H 1 114 ARG H 0.000 . 4.500 4.462 4.416 4.510 0.010 13 0 "[ . 1 . 2 ]" 1
354 1 114 ARG HA 1 115 GLN H 0.000 . 5.000 3.454 3.379 3.587 . 0 0 "[ . 1 . 2 ]" 1
355 1 114 ARG QB 1 115 GLN H 0.000 . 4.500 3.165 2.337 3.736 . 0 0 "[ . 1 . 2 ]" 1
356 1 114 ARG QD 1 115 GLN H 0.000 . 6.000 4.684 2.902 5.421 . 0 0 "[ . 1 . 2 ]" 1
357 1 114 ARG QG 1 115 GLN H 0.000 . 6.000 3.365 2.212 4.531 . 0 0 "[ . 1 . 2 ]" 1
358 1 114 ARG H 1 115 GLN H 0.000 . 5.000 2.867 2.689 3.063 . 0 0 "[ . 1 . 2 ]" 1
359 1 115 GLN HA 1 116 GLU H 0.000 . 5.000 3.529 3.411 3.564 . 0 0 "[ . 1 . 2 ]" 1
360 1 115 GLN H 1 116 GLU HA 0.000 . 5.000 5.131 5.074 5.242 0.242 3 0 "[ . 1 . 2 ]" 1
361 1 115 GLN H 1 116 GLU H 0.000 . 3.500 2.473 2.396 2.626 . 0 0 "[ . 1 . 2 ]" 1
362 1 116 GLU QB 1 117 LEU MD2 0.000 . 7.500 4.311 2.496 5.520 . 0 0 "[ . 1 . 2 ]" 1
363 1 116 GLU QB 1 117 LEU MD1 0.000 . 5.800 4.142 3.904 4.303 . 0 0 "[ . 1 . 2 ]" 1
364 1 117 LEU H 1 118 LEU H 0.000 . 5.000 2.695 2.489 3.118 . 0 0 "[ . 1 . 2 ]" 1
365 1 118 LEU HA 1 119 ASP H 0.000 . 5.000 3.466 3.385 3.566 . 0 0 "[ . 1 . 2 ]" 1
366 1 118 LEU QB 1 119 ASP HA 0.000 . 6.000 3.990 3.656 4.323 . 0 0 "[ . 1 . 2 ]" 1
367 1 118 LEU QB 1 119 ASP H 0.000 . 6.000 2.718 2.316 2.966 . 0 0 "[ . 1 . 2 ]" 1
368 1 118 LEU QD 1 119 ASP H 0.000 . 7.400 3.923 3.078 4.187 . 0 0 "[ . 1 . 2 ]" 1
369 1 118 LEU H 1 119 ASP H 0.000 . 5.000 2.756 2.615 2.963 . 0 0 "[ . 1 . 2 ]" 1
370 1 119 ASP HA 1 120 ILE H 0.000 . 5.000 3.586 3.550 3.611 . 0 0 "[ . 1 . 2 ]" 1
371 1 119 ASP QB 1 120 ILE MD 0.000 . 7.500 3.605 2.886 4.727 . 0 0 "[ . 1 . 2 ]" 1
372 1 119 ASP QB 1 120 ILE H 0.000 . 6.000 2.390 1.873 2.647 . 0 0 "[ . 1 . 2 ]" 1
373 1 119 ASP H 1 120 ILE H 0.000 . 5.000 2.605 2.360 3.204 . 0 0 "[ . 1 . 2 ]" 1
374 1 120 ILE MG 1 121 VAL HA 0.000 . 6.500 3.169 2.839 3.504 . 0 0 "[ . 1 . 2 ]" 1
375 1 120 ILE MG 1 121 VAL H 0.000 . 6.500 2.928 2.562 3.369 . 0 0 "[ . 1 . 2 ]" 1
376 1 120 ILE H 1 121 VAL H 0.000 . 5.000 2.751 2.490 3.089 . 0 0 "[ . 1 . 2 ]" 1
377 1 121 VAL QG 1 122 GLU HA 0.000 . 5.700 3.030 2.747 3.642 . 0 0 "[ . 1 . 2 ]" 1
378 1 121 VAL H 1 122 GLU H 0.000 . 5.000 2.896 2.692 3.077 . 0 0 "[ . 1 . 2 ]" 1
379 1 122 GLU QB 1 123 SER H 0.000 . 4.500 2.572 2.414 2.803 . 0 0 "[ . 1 . 2 ]" 1
380 1 122 GLU QG 1 123 SER H 0.000 . 6.000 3.708 2.811 4.330 . 0 0 "[ . 1 . 2 ]" 1
381 1 122 GLU H 1 123 SER H 0.000 . 5.000 2.770 2.632 2.895 . 0 0 "[ . 1 . 2 ]" 1
382 1 123 SER HA 1 124 ILE MD 0.000 . 6.500 5.214 4.742 5.475 . 0 0 "[ . 1 . 2 ]" 1
383 1 123 SER HA 1 124 ILE H 0.000 . 5.000 3.545 3.471 3.577 . 0 0 "[ . 1 . 2 ]" 1
384 1 123 SER H 1 124 ILE H 0.000 . 5.000 2.643 2.484 2.813 . 0 0 "[ . 1 . 2 ]" 1
385 1 124 ILE HA 1 125 TYR H 0.000 . 5.000 3.518 3.414 3.562 . 0 0 "[ . 1 . 2 ]" 1
386 1 124 ILE HB 1 125 TYR H 0.000 . 5.000 2.715 2.251 3.055 . 0 0 "[ . 1 . 2 ]" 1
387 1 124 ILE MD 1 125 TYR QD 0.000 . 8.500 5.093 4.388 6.279 . 0 0 "[ . 1 . 2 ]" 1
388 1 124 ILE MG 1 125 TYR QD 0.000 . 6.800 3.098 2.163 4.377 . 0 0 "[ . 1 . 2 ]" 1
389 1 124 ILE H 1 125 TYR H 0.000 . 5.000 2.691 2.416 2.927 . 0 0 "[ . 1 . 2 ]" 1
390 1 125 TYR QB 1 126 LYS H 0.000 . 6.000 2.529 1.867 2.914 . 0 0 "[ . 1 . 2 ]" 1
391 1 125 TYR QD 1 126 LYS H 0.000 . 7.000 4.360 3.665 4.632 . 0 0 "[ . 1 . 2 ]" 1
392 1 125 TYR H 1 126 LYS H 0.000 . 5.000 2.703 2.448 2.950 . 0 0 "[ . 1 . 2 ]" 1
393 1 126 LYS HA 1 127 LEU H 0.000 . 5.000 3.546 3.455 3.575 . 0 0 "[ . 1 . 2 ]" 1
394 1 126 LYS QB 1 127 LEU H 0.000 . 6.000 2.421 1.929 3.553 . 0 0 "[ . 1 . 2 ]" 1
395 1 126 LYS QG 1 127 LEU H 0.000 . 6.000 3.802 2.271 4.580 . 0 0 "[ . 1 . 2 ]" 1
396 1 127 LEU HA 1 128 LYS H 0.000 . 5.000 3.558 3.508 3.572 . 0 0 "[ . 1 . 2 ]" 1
397 1 127 LEU QB 1 128 LYS H 0.000 . 6.000 2.290 1.811 2.844 . 0 0 "[ . 1 . 2 ]" 1
398 1 127 LEU QD 1 128 LYS H 0.000 . 7.400 2.938 2.200 3.805 . 0 0 "[ . 1 . 2 ]" 1
399 1 127 LEU H 1 128 LYS H 0.000 . 5.000 2.787 2.425 3.151 . 0 0 "[ . 1 . 2 ]" 1
400 1 128 LYS HA 1 129 LYS H 0.000 . 5.000 3.499 3.373 3.574 . 0 0 "[ . 1 . 2 ]" 1
401 1 128 LYS H 1 129 LYS H 0.000 . 5.000 2.793 2.499 3.046 . 0 0 "[ . 1 . 2 ]" 1
402 1 129 LYS HA 1 130 ALA H 0.000 . 3.500 3.520 3.406 3.563 0.063 21 0 "[ . 1 . 2 ]" 1
403 1 129 LYS QB 1 130 ALA H 0.000 . 3.900 2.517 1.803 3.563 . 0 0 "[ . 1 . 2 ]" 1
404 1 129 LYS QE 1 130 ALA H 0.000 . 6.000 4.613 2.913 5.316 . 0 0 "[ . 1 . 2 ]" 1
405 1 129 LYS H 1 130 ALA H 0.000 . 5.000 2.785 2.434 3.193 . 0 0 "[ . 1 . 2 ]" 1
406 1 130 ALA HA 1 131 CYS H 0.000 . 3.500 3.192 2.525 3.554 0.054 15 0 "[ . 1 . 2 ]" 1
407 1 130 ALA MB 1 131 CYS H 0.000 . 5.000 3.125 1.675 3.719 . 0 0 "[ . 1 . 2 ]" 1
408 1 131 CYS HA 1 132 SER HA 0.000 . 5.000 4.657 4.333 5.221 0.221 5 0 "[ . 1 . 2 ]" 1
409 1 131 CYS QB 1 132 SER H 0.000 . 6.000 2.403 1.673 3.793 . 0 0 "[ . 1 . 2 ]" 1
410 1 132 SER HA 1 133 VAL H 0.000 . 2.900 2.869 2.233 3.042 0.142 13 0 "[ . 1 . 2 ]" 1
411 1 132 SER QB 1 133 VAL H 0.000 . 6.000 3.895 3.655 4.053 . 0 0 "[ . 1 . 2 ]" 1
412 1 133 VAL HA 1 134 GLU H 0.000 . 3.500 2.699 2.159 3.556 0.056 5 0 "[ . 1 . 2 ]" 1
413 1 133 VAL QG 1 134 GLU H 0.000 . 7.400 2.379 1.504 3.480 . 0 0 "[ . 1 . 2 ]" 1
414 1 133 VAL H 1 134 GLU H 0.000 . 5.000 3.973 2.015 4.582 . 0 0 "[ . 1 . 2 ]" 1
415 1 134 GLU H 1 135 VAL H 0.000 . 3.500 2.959 1.753 3.601 0.101 18 0 "[ . 1 . 2 ]" 1
416 1 135 VAL HA 1 136 GLU H 0.000 . 2.900 2.527 2.091 3.228 0.328 13 0 "[ . 1 . 2 ]" 1
417 1 135 VAL QG 1 136 GLU H 0.000 . 5.300 3.285 1.483 3.725 . 0 0 "[ . 1 . 2 ]" 1
418 1 135 VAL H 1 136 GLU H 0.000 . 3.500 3.313 1.808 3.920 0.420 9 0 "[ . 1 . 2 ]" 1
419 1 136 GLU QB 1 137 ALA H 0.000 . 4.500 3.184 1.934 4.048 . 0 0 "[ . 1 . 2 ]" 1
420 1 136 GLU QG 1 137 ALA H 0.000 . 4.500 3.831 2.624 4.285 . 0 0 "[ . 1 . 2 ]" 1
421 1 136 GLU H 1 137 ALA H 0.000 . 5.000 2.907 1.921 4.227 . 0 0 "[ . 1 . 2 ]" 1
422 1 137 ALA MB 1 138 GLU H 0.000 . 4.400 2.816 1.746 3.688 . 0 0 "[ . 1 . 2 ]" 1
423 1 141 GLY QA 1 142 LYS H 0.000 . 3.900 2.556 2.173 2.915 . 0 0 "[ . 1 . 2 ]" 1
424 1 141 GLY H 1 142 LYS H 0.000 . 5.000 2.905 1.715 4.661 . 0 0 "[ . 1 . 2 ]" 1
425 1 142 LYS HA 1 143 LEU H 0.000 . 5.000 2.854 2.134 3.552 . 0 0 "[ . 1 . 2 ]" 1
426 1 142 LYS QB 1 143 LEU H 0.000 . 4.500 2.945 1.662 3.961 . 0 0 "[ . 1 . 2 ]" 1
427 1 142 LYS H 1 143 LEU QD 0.000 . 7.400 4.424 2.706 5.454 . 0 0 "[ . 1 . 2 ]" 1
428 1 143 LEU HA 1 144 LEU H 0.000 . 2.900 2.526 2.136 3.011 0.111 10 0 "[ . 1 . 2 ]" 1
429 1 144 LEU HA 1 145 THR MG 0.000 . 6.500 3.596 2.760 5.217 . 0 0 "[ . 1 . 2 ]" 1
430 1 144 LEU QB 1 145 THR MG 0.000 . 7.500 4.086 2.734 5.524 . 0 0 "[ . 1 . 2 ]" 1
431 1 144 LEU QB 1 145 THR H 0.000 . 6.000 2.356 1.583 4.044 . 0 0 "[ . 1 . 2 ]" 1
432 1 144 LEU MD1 1 145 THR HA 0.000 . 6.500 3.454 2.685 4.104 . 0 0 "[ . 1 . 2 ]" 1
433 1 144 LEU MD1 1 145 THR H 0.000 . 6.500 2.962 1.464 3.987 . 0 0 "[ . 1 . 2 ]" 1
434 1 144 LEU MD2 1 145 THR H 0.000 . 6.500 3.866 2.979 4.468 . 0 0 "[ . 1 . 2 ]" 1
435 1 144 LEU H 1 145 THR MG 0.000 . 6.500 5.126 3.866 5.765 . 0 0 "[ . 1 . 2 ]" 1
436 1 144 LEU H 1 145 THR H 0.000 . 5.000 4.318 3.484 4.567 . 0 0 "[ . 1 . 2 ]" 1
437 1 146 PRO QD 1 147 GLU H 0.000 . 4.500 2.918 2.657 4.432 . 0 0 "[ . 1 . 2 ]" 1
438 1 147 GLU HA 1 148 GLU H 0.000 . 5.000 3.466 3.365 3.542 . 0 0 "[ . 1 . 2 ]" 1
439 1 147 GLU QB 1 148 GLU H 0.000 . 4.500 3.101 2.508 3.730 . 0 0 "[ . 1 . 2 ]" 1
440 1 147 GLU H 1 148 GLU H 0.000 . 3.500 2.380 2.246 3.120 . 0 0 "[ . 1 . 2 ]" 1
441 1 148 GLU HA 1 149 VAL H 0.000 . 5.000 3.566 3.494 3.578 . 0 0 "[ . 1 . 2 ]" 1
442 1 148 GLU H 1 149 VAL MG1 0.000 . 6.500 3.803 3.342 4.691 . 0 0 "[ . 1 . 2 ]" 1
443 1 148 GLU H 1 149 VAL H 0.000 . 3.500 2.943 2.754 3.127 . 0 0 "[ . 1 . 2 ]" 1
444 1 149 VAL HB 1 150 VAL H 0.000 . 5.000 3.797 3.254 4.099 . 0 0 "[ . 1 . 2 ]" 1
445 1 149 VAL MG1 1 150 VAL H 0.000 . 6.500 3.013 1.874 3.965 . 0 0 "[ . 1 . 2 ]" 1
446 1 150 VAL HA 1 151 ASP H 0.000 . 5.000 3.527 3.444 3.566 . 0 0 "[ . 1 . 2 ]" 1
447 1 150 VAL QG 1 151 ASP H 0.000 . 5.300 2.993 2.694 3.248 . 0 0 "[ . 1 . 2 ]" 1
448 1 150 VAL MG1 1 151 ASP HA 0.000 . 4.800 3.173 2.972 3.570 . 0 0 "[ . 1 . 2 ]" 1
449 1 150 VAL H 1 151 ASP H 0.000 . 5.000 2.748 2.561 2.863 . 0 0 "[ . 1 . 2 ]" 1
450 1 151 ASP QB 1 152 ARG H 0.000 . 4.500 3.003 2.768 3.232 . 0 0 "[ . 1 . 2 ]" 1
451 1 151 ASP H 1 152 ARG H 0.000 . 3.500 2.469 2.270 2.636 . 0 0 "[ . 1 . 2 ]" 1
452 1 152 ARG HA 1 153 ILE H 0.000 . 5.000 3.527 3.455 3.565 . 0 0 "[ . 1 . 2 ]" 1
453 1 152 ARG QB 1 153 ILE H 0.000 . 6.000 2.412 1.849 2.908 . 0 0 "[ . 1 . 2 ]" 1
454 1 152 ARG H 1 153 ILE QG 0.000 . 6.000 4.579 4.037 5.059 . 0 0 "[ . 1 . 2 ]" 1
455 1 152 ARG H 1 153 ILE MG 0.000 . 6.500 5.515 5.447 5.594 . 0 0 "[ . 1 . 2 ]" 1
456 1 152 ARG H 1 153 ILE H 0.000 . 3.500 2.432 2.326 2.749 . 0 0 "[ . 1 . 2 ]" 1
457 1 154 PHE HA 1 155 LEU H 0.000 . 5.000 3.568 3.485 3.591 . 0 0 "[ . 1 . 2 ]" 1
458 1 154 PHE QB 1 155 LEU H 0.000 . 6.000 2.239 1.888 2.796 . 0 0 "[ . 1 . 2 ]" 1
459 1 154 PHE H 1 155 LEU QD 0.000 . 7.400 5.272 4.319 5.596 . 0 0 "[ . 1 . 2 ]" 1
460 1 154 PHE H 1 155 LEU H 0.000 . 5.000 2.750 2.574 3.042 . 0 0 "[ . 1 . 2 ]" 1
461 1 155 LEU HA 1 156 LEU H 0.000 . 5.000 3.554 3.493 3.578 . 0 0 "[ . 1 . 2 ]" 1
462 1 155 LEU QB 1 156 LEU H 0.000 . 6.000 2.379 1.900 2.866 . 0 0 "[ . 1 . 2 ]" 1
463 1 155 LEU H 1 156 LEU H 0.000 . 3.500 2.816 2.572 3.171 . 0 0 "[ . 1 . 2 ]" 1
464 1 156 LEU QB 1 157 VAL H 0.000 . 6.000 2.302 1.894 2.815 . 0 0 "[ . 1 . 2 ]" 1
465 1 156 LEU H 1 157 VAL H 0.000 . 5.000 2.951 2.585 3.257 . 0 0 "[ . 1 . 2 ]" 1
466 1 157 VAL QG 1 158 ASP H 0.000 . 5.900 2.683 1.606 3.464 . 0 0 "[ . 1 . 2 ]" 1
467 1 157 VAL H 1 158 ASP QB 0.000 . 6.000 4.318 3.778 4.970 . 0 0 "[ . 1 . 2 ]" 1
468 1 157 VAL H 1 158 ASP H 0.000 . 3.500 2.692 2.312 3.539 0.039 21 0 "[ . 1 . 2 ]" 1
469 1 158 ASP HA 1 159 GLU H 0.000 . 2.900 2.613 2.171 3.111 0.211 11 0 "[ . 1 . 2 ]" 1
470 1 158 ASP QB 1 159 GLU H 0.000 . 6.000 3.126 1.819 4.024 . 0 0 "[ . 1 . 2 ]" 1
471 1 158 ASP H 1 159 GLU H 0.000 . 5.000 4.066 3.025 4.667 . 0 0 "[ . 1 . 2 ]" 1
472 1 159 GLU HA 1 160 ASN H 0.000 . 3.500 3.358 2.195 3.563 0.063 7 0 "[ . 1 . 2 ]" 1
473 1 159 GLU QB 1 160 ASN H 0.000 . 3.900 3.024 2.029 3.904 0.004 19 0 "[ . 1 . 2 ]" 1
474 1 159 GLU QG 1 160 ASN H 0.000 . 6.000 3.636 1.703 4.570 . 0 0 "[ . 1 . 2 ]" 1
475 1 160 ASN HA 1 161 GLY H 0.000 . 5.000 3.437 3.107 3.558 . 0 0 "[ . 1 . 2 ]" 1
476 1 160 ASN QB 1 161 GLY H 0.000 . 6.000 3.310 2.721 3.956 . 0 0 "[ . 1 . 2 ]" 1
477 1 160 ASN H 1 161 GLY QA 0.000 . 6.000 4.468 3.630 4.717 . 0 0 "[ . 1 . 2 ]" 1
478 1 160 ASN H 1 161 GLY H 0.000 . 2.900 2.568 1.560 2.837 . 0 0 "[ . 1 . 2 ]" 1
479 1 161 GLY QA 1 162 ASP H 0.000 . 4.500 2.576 2.166 2.905 . 0 0 "[ . 1 . 2 ]" 1
480 1 161 GLY H 1 162 ASP H 0.000 . 3.500 2.856 2.354 3.448 . 0 0 "[ . 1 . 2 ]" 1
481 1 162 ASP HA 1 163 GLY H 0.000 . 5.000 3.430 3.099 3.572 . 0 0 "[ . 1 . 2 ]" 1
482 1 162 ASP H 1 163 GLY QA 0.000 . 6.000 4.153 3.549 4.721 . 0 0 "[ . 1 . 2 ]" 1
483 1 162 ASP H 1 163 GLY H 0.000 . 2.900 2.345 1.501 2.972 0.072 14 0 "[ . 1 . 2 ]" 1
484 1 163 GLY QA 1 164 GLN H 0.000 . 4.500 2.840 2.540 2.916 . 0 0 "[ . 1 . 2 ]" 1
485 1 163 GLY H 1 164 GLN QG 0.000 . 6.000 4.728 2.941 5.457 . 0 0 "[ . 1 . 2 ]" 1
486 1 163 GLY H 1 164 GLN H 0.000 . 2.900 2.322 1.536 2.877 . 0 0 "[ . 1 . 2 ]" 1
487 1 164 GLN HA 1 165 LEU H 0.000 . 3.500 2.174 2.127 2.362 . 0 0 "[ . 1 . 2 ]" 1
488 1 164 GLN QB 1 165 LEU H 0.000 . 6.000 3.384 2.527 3.860 . 0 0 "[ . 1 . 2 ]" 1
489 1 164 GLN QG 1 165 LEU H 0.000 . 6.000 3.936 2.320 4.653 . 0 0 "[ . 1 . 2 ]" 1
490 1 165 LEU HA 1 166 SER H 0.000 . 3.500 2.181 2.120 2.248 . 0 0 "[ . 1 . 2 ]" 1
491 1 165 LEU QB 1 166 SER H 0.000 . 6.000 3.956 3.786 4.031 . 0 0 "[ . 1 . 2 ]" 1
492 1 165 LEU MD2 1 166 SER H 0.000 . 6.500 4.886 4.401 5.102 . 0 0 "[ . 1 . 2 ]" 1
493 1 165 LEU MD1 1 166 SER H 0.000 . 6.500 3.044 2.529 3.653 . 0 0 "[ . 1 . 2 ]" 1
494 1 165 LEU HG 1 166 SER H 0.000 . 5.000 3.536 2.785 3.841 . 0 0 "[ . 1 . 2 ]" 1
495 1 166 SER HA 1 167 LEU H 0.000 . 3.500 2.520 2.425 2.570 . 0 0 "[ . 1 . 2 ]" 1
496 1 166 SER QB 1 167 LEU H 0.000 . 6.000 2.600 2.115 3.163 . 0 0 "[ . 1 . 2 ]" 1
497 1 166 SER H 1 167 LEU H 0.000 . 5.000 4.553 4.487 4.600 . 0 0 "[ . 1 . 2 ]" 1
498 1 167 LEU HA 1 168 ASN H 0.000 . 5.000 3.564 3.534 3.582 . 0 0 "[ . 1 . 2 ]" 1
499 1 167 LEU QB 1 168 ASN H 0.000 . 4.500 2.244 2.043 2.548 . 0 0 "[ . 1 . 2 ]" 1
500 1 167 LEU MD1 1 168 ASN H 0.000 . 6.500 4.344 3.927 4.728 . 0 0 "[ . 1 . 2 ]" 1
501 1 167 LEU MD2 1 168 ASN H 0.000 . 5.000 3.727 3.335 4.052 . 0 0 "[ . 1 . 2 ]" 1
502 1 167 LEU HG 1 168 ASN H 0.000 . 5.000 3.398 2.768 4.607 . 0 0 "[ . 1 . 2 ]" 1
503 1 167 LEU H 1 168 ASN H 0.000 . 5.000 2.786 2.618 3.047 . 0 0 "[ . 1 . 2 ]" 1
504 1 168 ASN HA 1 169 GLU H 0.000 . 5.000 3.555 3.524 3.574 . 0 0 "[ . 1 . 2 ]" 1
505 1 168 ASN QB 1 169 GLU H 0.000 . 4.500 2.393 2.105 3.298 . 0 0 "[ . 1 . 2 ]" 1
506 1 168 ASN H 1 169 GLU H 0.000 . 5.000 2.980 2.893 3.104 . 0 0 "[ . 1 . 2 ]" 1
507 1 169 GLU QG 1 170 PHE H 0.000 . 4.500 3.737 2.204 4.087 . 0 0 "[ . 1 . 2 ]" 1
508 1 169 GLU H 1 170 PHE H 0.000 . 5.000 2.618 2.443 2.971 . 0 0 "[ . 1 . 2 ]" 1
509 1 170 PHE HA 1 171 VAL H 0.000 . 5.000 3.565 3.542 3.583 . 0 0 "[ . 1 . 2 ]" 1
510 1 170 PHE QB 1 171 VAL H 0.000 . 6.000 2.082 1.729 2.497 . 0 0 "[ . 1 . 2 ]" 1
511 1 170 PHE QD 1 171 VAL MG2 0.000 . 6.800 3.857 2.125 4.872 . 0 0 "[ . 1 . 2 ]" 1
512 1 170 PHE QD 1 171 VAL H 0.000 . 7.000 2.796 2.188 3.708 . 0 0 "[ . 1 . 2 ]" 1
513 1 171 VAL HA 1 172 GLU H 0.000 . 3.500 3.544 3.503 3.567 0.067 18 0 "[ . 1 . 2 ]" 1
514 1 171 VAL MG2 1 172 GLU H 0.000 . 6.500 2.262 1.579 3.904 . 0 0 "[ . 1 . 2 ]" 1
515 1 171 VAL H 1 172 GLU H 0.000 . 5.000 2.890 2.562 3.137 . 0 0 "[ . 1 . 2 ]" 1
516 1 172 GLU HA 1 173 GLY H 0.000 . 5.000 3.471 3.379 3.551 . 0 0 "[ . 1 . 2 ]" 1
517 1 172 GLU QB 1 173 GLY H 0.000 . 6.000 2.859 2.453 3.146 . 0 0 "[ . 1 . 2 ]" 1
518 1 172 GLU QG 1 173 GLY H 0.000 . 6.000 4.124 3.519 4.742 . 0 0 "[ . 1 . 2 ]" 1
519 1 172 GLU H 1 173 GLY H 0.000 . 3.500 2.707 2.488 2.863 . 0 0 "[ . 1 . 2 ]" 1
520 1 173 GLY QA 1 174 ALA H 0.000 . 4.500 2.841 2.696 2.938 . 0 0 "[ . 1 . 2 ]" 1
521 1 173 GLY H 1 174 ALA MB 0.000 . 6.500 3.875 3.724 4.065 . 0 0 "[ . 1 . 2 ]" 1
522 1 173 GLY H 1 174 ALA H 0.000 . 3.500 2.154 2.024 2.519 . 0 0 "[ . 1 . 2 ]" 1
523 1 174 ALA MB 1 175 ARG QB 0.000 . 5.800 3.945 3.605 4.280 . 0 0 "[ . 1 . 2 ]" 1
524 1 174 ALA MB 1 175 ARG H 0.000 . 5.000 2.926 2.486 3.260 . 0 0 "[ . 1 . 2 ]" 1
525 1 174 ALA H 1 175 ARG QB 0.000 . 6.000 4.011 3.747 4.411 . 0 0 "[ . 1 . 2 ]" 1
526 1 175 ARG HA 1 176 ARG H 0.000 . 5.000 3.483 3.356 3.565 . 0 0 "[ . 1 . 2 ]" 1
527 1 175 ARG QB 1 176 ARG H 0.000 . 3.900 2.710 2.135 3.503 . 0 0 "[ . 1 . 2 ]" 1
528 1 175 ARG QG 1 176 ARG H 0.000 . 6.000 3.638 2.345 4.404 . 0 0 "[ . 1 . 2 ]" 1
529 1 175 ARG H 1 176 ARG HA 0.000 . 5.000 5.088 5.001 5.210 0.210 9 0 "[ . 1 . 2 ]" 1
530 1 175 ARG H 1 176 ARG QB 0.000 . 6.000 4.387 4.157 5.115 . 0 0 "[ . 1 . 2 ]" 1
531 1 176 ARG HA 1 177 ASP H 0.000 . 5.000 3.025 2.185 3.575 . 0 0 "[ . 1 . 2 ]" 1
532 1 176 ARG QB 1 177 ASP H 0.000 . 6.000 3.090 1.763 4.038 . 0 0 "[ . 1 . 2 ]" 1
533 1 177 ASP HA 1 178 LYS QB 0.000 . 6.000 4.111 3.710 4.825 . 0 0 "[ . 1 . 2 ]" 1
534 1 177 ASP HA 1 178 LYS H 0.000 . 5.000 2.570 2.154 3.450 . 0 0 "[ . 1 . 2 ]" 1
535 1 177 ASP QB 1 178 LYS H 0.000 . 6.000 2.564 1.701 3.728 . 0 0 "[ . 1 . 2 ]" 1
536 1 177 ASP H 1 178 LYS H 0.000 . 5.000 4.387 3.561 4.674 . 0 0 "[ . 1 . 2 ]" 1
537 1 178 LYS HA 1 179 TRP H 0.000 . 5.000 3.272 2.458 3.585 . 0 0 "[ . 1 . 2 ]" 1
538 1 178 LYS QB 1 179 TRP H 0.000 . 4.500 3.281 2.440 3.980 . 0 0 "[ . 1 . 2 ]" 1
539 1 179 TRP HE3 1 180 VAL HA 0.000 . 5.000 3.656 2.589 4.914 . 0 0 "[ . 1 . 2 ]" 1
540 1 179 TRP HE3 1 180 VAL QG 0.000 . 7.400 3.816 2.605 4.836 . 0 0 "[ . 1 . 2 ]" 1
541 1 179 TRP H 1 180 VAL HA 0.000 . 5.000 4.731 4.143 5.078 0.078 4 0 "[ . 1 . 2 ]" 1
542 1 179 TRP H 1 180 VAL QG 0.000 . 7.400 3.003 2.385 4.057 . 0 0 "[ . 1 . 2 ]" 1
543 1 180 VAL HA 1 181 MET H 0.000 . 5.000 3.536 3.445 3.582 . 0 0 "[ . 1 . 2 ]" 1
544 1 180 VAL H 1 181 MET H 0.000 . 5.000 2.774 2.590 3.037 . 0 0 "[ . 1 . 2 ]" 1
545 1 186 MET ME 1 187 ASP H 0.000 . 6.500 4.295 3.120 5.436 . 0 0 "[ . 1 . 2 ]" 1
546 1 9 GLU HA 1 12 GLU QB 0.000 . 4.300 2.894 2.129 3.684 . 0 0 "[ . 1 . 2 ]" 1
547 1 10 ALA HA 1 13 ASN QB 0.000 . 4.300 2.885 2.184 3.851 . 0 0 "[ . 1 . 2 ]" 1
548 1 13 ASN QB 1 17 GLY H 0.000 . 6.000 5.097 4.355 5.415 . 0 0 "[ . 1 . 2 ]" 1
549 1 16 VAL QG 1 20 ASP QB 0.000 . 6.700 3.336 2.090 4.253 . 0 0 "[ . 1 . 2 ]" 1
550 1 17 GLY QA 1 20 ASP H 0.000 . 6.000 4.713 3.930 5.411 . 0 0 "[ . 1 . 2 ]" 1
551 1 20 ASP HA 1 23 GLN QB 0.000 . 6.000 3.259 2.389 3.970 . 0 0 "[ . 1 . 2 ]" 1
552 1 20 ASP HA 1 24 LEU QD 0.000 . 5.700 3.518 3.038 4.205 . 0 0 "[ . 1 . 2 ]" 1
553 1 21 ALA HA 1 24 LEU QB 0.000 . 4.300 2.200 2.078 2.456 . 0 0 "[ . 1 . 2 ]" 1
554 1 21 ALA MB 1 24 LEU QB 0.000 . 5.800 3.461 2.905 3.804 . 0 0 "[ . 1 . 2 ]" 1
555 1 21 ALA MB 1 24 LEU QD 0.000 . 7.200 3.776 2.609 4.143 . 0 0 "[ . 1 . 2 ]" 1
556 1 21 ALA MB 1 24 LEU MD1 0.000 . 6.300 4.625 2.623 5.643 . 0 0 "[ . 1 . 2 ]" 1
557 1 21 ALA MB 1 24 LEU H 0.000 . 5.000 4.289 4.092 4.416 . 0 0 "[ . 1 . 2 ]" 1
558 1 22 ALA HA 1 25 GLN QB 0.000 . 4.300 2.868 2.186 3.343 . 0 0 "[ . 1 . 2 ]" 1
559 1 22 ALA HA 1 25 GLN H 0.000 . 5.000 3.615 3.280 3.889 . 0 0 "[ . 1 . 2 ]" 1
560 1 23 GLN HA 1 26 GLU H 0.000 . 5.000 3.612 3.236 3.881 . 0 0 "[ . 1 . 2 ]" 1
561 1 24 LEU HA 1 27 TRP QB 0.000 . 4.300 2.452 2.093 3.091 . 0 0 "[ . 1 . 2 ]" 1
562 1 24 LEU HA 1 27 TRP H 0.000 . 5.000 3.444 3.018 3.882 . 0 0 "[ . 1 . 2 ]" 1
563 1 24 LEU QD 1 27 TRP HE3 0.000 . 7.400 2.874 2.035 4.107 . 0 0 "[ . 1 . 2 ]" 1
564 1 24 LEU QD 1 27 TRP HH2 0.000 . 5.700 4.065 3.497 4.356 . 0 0 "[ . 1 . 2 ]" 1
565 1 24 LEU QD 1 28 TYR H 0.000 . 7.400 4.985 4.380 5.573 . 0 0 "[ . 1 . 2 ]" 1
566 1 25 GLN HA 1 28 TYR QD 0.000 . 7.000 4.375 2.945 5.211 . 0 0 "[ . 1 . 2 ]" 1
567 1 25 GLN HA 1 28 TYR H 0.000 . 5.000 3.464 3.190 4.160 . 0 0 "[ . 1 . 2 ]" 1
568 1 26 GLU HA 1 29 LYS H 0.000 . 5.000 3.464 3.075 4.041 . 0 0 "[ . 1 . 2 ]" 1
569 1 28 TYR HA 1 32 LEU MD1 0.000 . 6.500 4.530 3.128 5.592 . 0 0 "[ . 1 . 2 ]" 1
570 1 28 TYR QD 1 32 LEU MD2 0.000 . 8.500 4.136 2.542 5.691 . 0 0 "[ . 1 . 2 ]" 1
571 1 28 TYR QE 1 32 LEU MD2 0.000 . 6.800 3.363 2.132 4.969 . 0 0 "[ . 1 . 2 ]" 1
572 1 29 LYS HA 1 32 LEU MD2 0.000 . 6.500 5.008 4.399 5.532 . 0 0 "[ . 1 . 2 ]" 1
573 1 31 PHE QD 1 35 CYS QB 0.000 . 8.000 4.403 2.551 5.454 . 0 0 "[ . 1 . 2 ]" 1
574 1 31 PHE QD 1 35 CYS H 0.000 . 7.000 5.691 4.571 6.591 . 0 0 "[ . 1 . 2 ]" 1
575 1 31 PHE QE 1 35 CYS QB 0.000 . 8.000 3.913 2.171 5.219 . 0 0 "[ . 1 . 2 ]" 1
576 1 32 LEU HA 1 35 CYS QB 0.000 . 4.300 3.167 2.202 3.925 . 0 0 "[ . 1 . 2 ]" 1
577 1 32 LEU HA 1 35 CYS H 0.000 . 3.500 3.118 2.552 3.541 0.041 11 0 "[ . 1 . 2 ]" 1
578 1 32 LEU MD2 1 35 CYS QB 0.000 . 7.500 4.083 2.728 5.313 . 0 0 "[ . 1 . 2 ]" 1
579 1 32 LEU MD2 1 35 CYS H 0.000 . 6.500 4.471 3.104 5.524 . 0 0 "[ . 1 . 2 ]" 1
580 1 32 LEU MD2 1 36 PRO HA 0.000 . 4.800 3.318 2.165 4.022 . 0 0 "[ . 1 . 2 ]" 1
581 1 32 LEU MD2 1 36 PRO QB 0.000 . 7.500 4.694 3.541 5.362 . 0 0 "[ . 1 . 2 ]" 1
582 1 35 CYS QB 1 38 GLY H 0.000 . 6.000 4.204 2.900 5.148 . 0 0 "[ . 1 . 2 ]" 1
583 1 35 CYS QB 1 39 THR H 0.000 . 6.000 4.518 2.925 5.298 . 0 0 "[ . 1 . 2 ]" 1
584 1 36 PRO HA 1 38 GLY H 0.000 . 5.000 3.669 2.922 4.286 . 0 0 "[ . 1 . 2 ]" 1
585 1 37 SER QB 1 39 THR H 0.000 . 6.000 3.277 2.246 5.450 . 0 0 "[ . 1 . 2 ]" 1
586 1 40 LEU QD 1 44 GLU QB 0.000 . 6.700 2.365 1.878 3.304 . 0 0 "[ . 1 . 2 ]" 1
587 1 42 MET HA 1 45 PHE QB 0.000 . 6.000 2.522 2.177 3.153 . 0 0 "[ . 1 . 2 ]" 1
588 1 42 MET HA 1 45 PHE H 0.000 . 5.000 3.524 3.041 4.138 . 0 0 "[ . 1 . 2 ]" 1
589 1 43 HIS HA 1 46 LYS QB 0.000 . 4.300 3.291 2.763 3.633 . 0 0 "[ . 1 . 2 ]" 1
590 1 43 HIS HA 1 46 LYS H 0.000 . 5.000 3.639 3.257 4.074 . 0 0 "[ . 1 . 2 ]" 1
591 1 44 GLU HA 1 47 ARG H 0.000 . 5.000 3.620 3.332 3.849 . 0 0 "[ . 1 . 2 ]" 1
592 1 45 PHE HA 1 48 PHE QB 0.000 . 4.300 3.180 2.578 3.662 . 0 0 "[ . 1 . 2 ]" 1
593 1 48 PHE HA 1 51 VAL HB 0.000 . 5.000 4.457 3.631 5.347 0.347 3 0 "[ . 1 . 2 ]" 1
594 1 48 PHE HA 1 51 VAL QG 0.000 . 7.400 3.805 2.439 4.962 . 0 0 "[ . 1 . 2 ]" 1
595 1 54 ASN QB 1 57 ALA MB 0.000 . 5.800 3.499 2.071 4.213 . 0 0 "[ . 1 . 2 ]" 1
596 1 55 GLU HA 1 58 THR H 0.000 . 5.000 4.505 3.651 5.024 0.024 17 0 "[ . 1 . 2 ]" 1
597 1 55 GLU QB 1 58 THR HB 0.000 . 6.000 4.883 4.088 5.370 . 0 0 "[ . 1 . 2 ]" 1
598 1 55 GLU QB 1 58 THR H 0.000 . 6.000 5.261 4.873 5.520 . 0 0 "[ . 1 . 2 ]" 1
599 1 56 GLU HA 1 59 GLN QB 0.000 . 6.000 4.789 3.463 5.319 . 0 0 "[ . 1 . 2 ]" 1
600 1 56 GLU HA 1 59 GLN H 0.000 . 5.000 4.444 3.883 4.944 . 0 0 "[ . 1 . 2 ]" 1
601 1 57 ALA HA 1 60 TYR QB 0.000 . 4.300 3.665 3.116 3.925 . 0 0 "[ . 1 . 2 ]" 1
602 1 57 ALA MB 1 61 VAL QG 0.000 . 7.200 3.697 3.297 3.827 . 0 0 "[ . 1 . 2 ]" 1
603 1 58 THR HA 1 61 VAL HB 0.000 . 5.000 3.071 2.527 3.426 . 0 0 "[ . 1 . 2 ]" 1
604 1 58 THR HA 1 61 VAL QG 0.000 . 5.700 3.109 2.419 3.552 . 0 0 "[ . 1 . 2 ]" 1
605 1 58 THR H 1 61 VAL HB 0.000 . 6.000 5.735 5.259 6.055 0.055 8 0 "[ . 1 . 2 ]" 1
606 1 58 THR H 1 61 VAL QG 0.000 . 7.400 4.919 4.425 5.384 . 0 0 "[ . 1 . 2 ]" 1
607 1 59 GLN HA 1 62 GLU H 0.000 . 5.000 3.608 3.081 3.998 . 0 0 "[ . 1 . 2 ]" 1
608 1 60 TYR HA 1 63 ALA MB 0.000 . 4.800 2.903 2.415 3.292 . 0 0 "[ . 1 . 2 ]" 1
609 1 60 TYR QD 1 64 MET ME 0.000 . 6.800 4.491 3.677 5.331 . 0 0 "[ . 1 . 2 ]" 1
610 1 61 VAL HA 1 64 MET QB 0.000 . 6.000 2.761 2.170 3.877 . 0 0 "[ . 1 . 2 ]" 1
611 1 61 VAL HA 1 64 MET H 0.000 . 5.000 3.159 2.598 3.434 . 0 0 "[ . 1 . 2 ]" 1
612 1 61 VAL QG 1 64 MET ME 0.000 . 7.200 4.328 4.028 4.540 . 0 0 "[ . 1 . 2 ]" 1
613 1 61 VAL QG 1 64 MET H 0.000 . 7.400 3.983 3.476 4.280 . 0 0 "[ . 1 . 2 ]" 1
614 1 62 GLU HA 1 65 PHE QB 0.000 . 6.000 2.997 2.668 3.498 . 0 0 "[ . 1 . 2 ]" 1
615 1 62 GLU HA 1 65 PHE H 0.000 . 5.000 3.578 3.280 4.056 . 0 0 "[ . 1 . 2 ]" 1
616 1 63 ALA MB 1 66 ARG QB 0.000 . 5.800 3.722 3.548 3.944 . 0 0 "[ . 1 . 2 ]" 1
617 1 63 ALA MB 1 67 ALA MB 0.000 . 8.000 4.004 3.403 4.296 . 0 0 "[ . 1 . 2 ]" 1
618 1 64 MET HA 1 67 ALA MB 0.000 . 4.800 3.486 2.790 3.850 . 0 0 "[ . 1 . 2 ]" 1
619 1 64 MET HA 1 67 ALA H 0.000 . 5.000 3.899 3.492 4.651 . 0 0 "[ . 1 . 2 ]" 1
620 1 64 MET ME 1 68 PHE QD 0.000 . 6.800 4.451 3.083 5.103 . 0 0 "[ . 1 . 2 ]" 1
621 1 65 PHE HA 1 68 PHE QD 0.000 . 7.000 4.356 3.190 5.141 . 0 0 "[ . 1 . 2 ]" 1
622 1 65 PHE QB 1 68 PHE H 0.000 . 6.000 5.122 4.862 5.301 . 0 0 "[ . 1 . 2 ]" 1
623 1 67 ALA HA 1 70 THR MG 0.000 . 6.500 4.485 2.964 5.308 . 0 0 "[ . 1 . 2 ]" 1
624 1 70 THR HB 1 72 GLY H 0.000 . 5.000 4.532 2.729 5.071 0.071 9 0 "[ . 1 . 2 ]" 1
625 1 70 THR MG 1 72 GLY H 0.000 . 6.500 4.614 3.623 5.382 . 0 0 "[ . 1 . 2 ]" 1
626 1 72 GLY QA 1 74 ASN H 0.000 . 6.000 3.508 2.838 5.359 . 0 0 "[ . 1 . 2 ]" 1
627 1 72 GLY H 1 74 ASN H 0.000 . 5.000 4.190 2.979 5.139 0.139 2 0 "[ . 1 . 2 ]" 1
628 1 75 THR MG 1 77 ASP H 0.000 . 6.500 5.064 3.881 5.598 . 0 0 "[ . 1 . 2 ]" 1
629 1 76 ILE MG 1 80 GLU QB 0.000 . 5.800 2.472 1.853 4.111 . 0 0 "[ . 1 . 2 ]" 1
630 1 78 PHE HA 1 81 TYR QD 0.000 . 7.000 2.812 2.172 3.867 . 0 0 "[ . 1 . 2 ]" 1
631 1 78 PHE HA 1 81 TYR H 0.000 . 5.000 3.975 3.617 4.333 . 0 0 "[ . 1 . 2 ]" 1
632 1 78 PHE HA 1 82 VAL MG2 0.000 . 6.500 3.851 3.487 4.325 . 0 0 "[ . 1 . 2 ]" 1
633 1 78 PHE QD 1 82 VAL MG2 0.000 . 6.800 3.040 1.937 3.606 . 0 0 "[ . 1 . 2 ]" 1
634 1 79 LEU HA 1 82 VAL HB 0.000 . 3.300 2.646 2.150 2.941 . 0 0 "[ . 1 . 2 ]" 1
635 1 79 LEU HA 1 82 VAL MG1 0.000 . 4.800 3.851 3.259 4.084 . 0 0 "[ . 1 . 2 ]" 1
636 1 79 LEU HA 1 82 VAL MG2 0.000 . 6.500 3.572 2.905 4.134 . 0 0 "[ . 1 . 2 ]" 1
637 1 79 LEU HA 1 82 VAL H 0.000 . 5.000 3.642 3.142 4.120 . 0 0 "[ . 1 . 2 ]" 1
638 1 79 LEU MD1 1 82 VAL MG2 0.000 . 8.000 3.984 3.510 4.231 . 0 0 "[ . 1 . 2 ]" 1
639 1 79 LEU MD2 1 82 VAL MG2 0.000 . 6.300 5.224 4.103 5.617 . 0 0 "[ . 1 . 2 ]" 1
640 1 80 GLU HA 1 83 ALA H 0.000 . 5.000 3.604 3.240 3.877 . 0 0 "[ . 1 . 2 ]" 1
641 1 81 TYR HA 1 84 ALA MB 0.000 . 4.800 3.088 2.654 3.552 . 0 0 "[ . 1 . 2 ]" 1
642 1 81 TYR HA 1 84 ALA H 0.000 . 5.000 3.595 3.363 3.808 . 0 0 "[ . 1 . 2 ]" 1
643 1 81 TYR HA 1 85 LEU MD2 0.000 . 6.500 4.892 3.803 5.371 . 0 0 "[ . 1 . 2 ]" 1
644 1 81 TYR QD 1 85 LEU MD1 0.000 . 6.800 3.723 2.853 5.351 . 0 0 "[ . 1 . 2 ]" 1
645 1 81 TYR QD 1 85 LEU MD2 0.000 . 6.800 3.242 2.239 3.789 . 0 0 "[ . 1 . 2 ]" 1
646 1 81 TYR QE 1 85 LEU MD1 0.000 . 6.800 2.757 1.945 4.133 . 0 0 "[ . 1 . 2 ]" 1
647 1 81 TYR QE 1 85 LEU MD2 0.000 . 6.800 2.203 1.967 3.538 . 0 0 "[ . 1 . 2 ]" 1
648 1 82 VAL HA 1 85 LEU QB 0.000 . 6.000 3.058 2.060 3.817 . 0 0 "[ . 1 . 2 ]" 1
649 1 82 VAL HA 1 85 LEU MD1 0.000 . 4.800 2.287 1.935 4.179 . 0 0 "[ . 1 . 2 ]" 1
650 1 82 VAL HA 1 85 LEU MD2 0.000 . 6.500 3.563 3.092 3.808 . 0 0 "[ . 1 . 2 ]" 1
651 1 82 VAL HA 1 85 LEU H 0.000 . 5.000 3.176 3.004 3.553 . 0 0 "[ . 1 . 2 ]" 1
652 1 82 VAL MG2 1 85 LEU MD2 0.000 . 6.300 4.299 4.186 4.446 . 0 0 "[ . 1 . 2 ]" 1
653 1 82 VAL MG2 1 85 LEU HG 0.000 . 6.500 3.796 3.366 4.175 . 0 0 "[ . 1 . 2 ]" 1
654 1 83 ALA HA 1 86 ASN QB 0.000 . 6.000 3.219 2.652 3.917 . 0 0 "[ . 1 . 2 ]" 1
655 1 83 ALA HA 1 86 ASN H 0.000 . 5.000 3.867 3.525 4.116 . 0 0 "[ . 1 . 2 ]" 1
656 1 84 ALA HA 1 87 LEU HA 0.000 . 5.500 5.340 4.859 5.561 0.061 15 0 "[ . 1 . 2 ]" 1
657 1 84 ALA HA 1 87 LEU QB 0.000 . 4.300 2.560 2.122 2.913 . 0 0 "[ . 1 . 2 ]" 1
658 1 84 ALA HA 1 87 LEU MD1 0.000 . 6.500 4.992 4.500 5.417 . 0 0 "[ . 1 . 2 ]" 1
659 1 84 ALA HA 1 87 LEU MD2 0.000 . 6.500 4.182 3.021 5.054 . 0 0 "[ . 1 . 2 ]" 1
660 1 84 ALA HA 1 87 LEU H 0.000 . 5.000 3.470 3.154 3.665 . 0 0 "[ . 1 . 2 ]" 1
661 1 84 ALA MB 1 86 ASN H 0.000 . 6.500 4.802 4.544 5.027 . 0 0 "[ . 1 . 2 ]" 1
662 1 84 ALA MB 1 87 LEU QB 0.000 . 7.500 3.781 3.397 3.970 . 0 0 "[ . 1 . 2 ]" 1
663 1 85 LEU HA 1 88 VAL QG 0.000 . 7.400 3.335 2.049 4.068 . 0 0 "[ . 1 . 2 ]" 1
664 1 85 LEU HA 1 89 LEU MD1 0.000 . 6.500 3.838 2.352 5.456 . 0 0 "[ . 1 . 2 ]" 1
665 1 85 LEU MD2 1 88 VAL HB 0.000 . 6.500 4.633 4.119 5.412 . 0 0 "[ . 1 . 2 ]" 1
666 1 85 LEU MD2 1 88 VAL QG 0.000 . 7.200 3.955 2.720 4.429 . 0 0 "[ . 1 . 2 ]" 1
667 1 85 LEU MD2 1 89 LEU QB 0.000 . 5.800 3.400 2.535 4.023 . 0 0 "[ . 1 . 2 ]" 1
668 1 85 LEU MD2 1 89 LEU HG 0.000 . 6.500 5.062 3.947 5.429 . 0 0 "[ . 1 . 2 ]" 1
669 1 93 LEU QD 1 96 LYS H 0.000 . 7.400 4.959 3.439 5.583 . 0 0 "[ . 1 . 2 ]" 1
670 1 94 GLU QB 1 97 LEU MD2 0.000 . 5.800 4.182 3.884 4.403 . 0 0 "[ . 1 . 2 ]" 1
671 1 94 GLU QB 1 97 LEU H 0.000 . 6.000 3.901 3.638 4.171 . 0 0 "[ . 1 . 2 ]" 1
672 1 95 HIS HA 1 98 LYS QB 0.000 . 6.000 3.399 2.577 4.945 . 0 0 "[ . 1 . 2 ]" 1
673 1 96 LYS HA 1 99 TRP H 0.000 . 5.000 3.556 3.219 3.901 . 0 0 "[ . 1 . 2 ]" 1
674 1 97 LEU HA 1 100 THR H 0.000 . 5.000 3.852 3.299 4.297 . 0 0 "[ . 1 . 2 ]" 1
675 1 97 LEU MD2 1 100 THR HB 0.000 . 6.500 4.302 3.412 5.312 . 0 0 "[ . 1 . 2 ]" 1
676 1 97 LEU MD2 1 100 THR MG 0.000 . 6.300 3.715 3.001 4.163 . 0 0 "[ . 1 . 2 ]" 1
677 1 98 LYS HA 1 101 PHE H 0.000 . 5.000 3.544 3.243 3.867 . 0 0 "[ . 1 . 2 ]" 1
678 1 99 TRP HA 1 102 LYS QB 0.000 . 4.300 2.649 2.215 3.085 . 0 0 "[ . 1 . 2 ]" 1
679 1 99 TRP HA 1 102 LYS H 0.000 . 5.000 3.428 3.183 3.695 . 0 0 "[ . 1 . 2 ]" 1
680 1 99 TRP HH2 1 103 ILE MD 0.000 . 6.500 3.757 2.142 5.101 . 0 0 "[ . 1 . 2 ]" 1
681 1 99 TRP HH2 1 103 ILE MG 0.000 . 6.500 4.767 4.298 5.198 . 0 0 "[ . 1 . 2 ]" 1
682 1 99 TRP HZ3 1 103 ILE MG 0.000 . 6.500 4.882 3.963 5.565 . 0 0 "[ . 1 . 2 ]" 1
683 1 100 THR HA 1 103 ILE MD 0.000 . 6.500 5.108 3.914 5.515 . 0 0 "[ . 1 . 2 ]" 1
684 1 100 THR HA 1 103 ILE MG 0.000 . 6.500 4.123 3.696 4.995 . 0 0 "[ . 1 . 2 ]" 1
685 1 100 THR HA 1 103 ILE H 0.000 . 5.000 3.343 2.947 3.681 . 0 0 "[ . 1 . 2 ]" 1
686 1 100 THR MG 1 103 ILE H 0.000 . 6.500 4.687 4.214 5.270 . 0 0 "[ . 1 . 2 ]" 1
687 1 102 LYS HA 1 105 ASP QB 0.000 . 4.300 2.606 2.149 3.187 . 0 0 "[ . 1 . 2 ]" 1
688 1 102 LYS HA 1 105 ASP H 0.000 . 5.000 3.524 2.952 4.566 . 0 0 "[ . 1 . 2 ]" 1
689 1 104 TYR HA 1 106 LYS H 0.000 . 5.000 4.446 3.804 5.115 0.115 14 0 "[ . 1 . 2 ]" 1
690 1 108 ARG HA 1 110 GLY H 0.000 . 5.000 3.474 2.886 4.094 . 0 0 "[ . 1 . 2 ]" 1
691 1 108 ARG H 1 110 GLY H 0.000 . 5.000 4.892 4.151 5.041 0.041 3 0 "[ . 1 . 2 ]" 1
692 1 109 ASN HA 1 111 CYS H 0.000 . 5.000 4.282 3.253 4.918 . 0 0 "[ . 1 . 2 ]" 1
693 1 109 ASN H 1 111 CYS H 0.000 . 3.500 3.288 2.979 3.618 0.118 11 0 "[ . 1 . 2 ]" 1
694 1 112 ILE HA 1 116 GLU QB 0.000 . 6.000 3.370 2.876 3.646 . 0 0 "[ . 1 . 2 ]" 1
695 1 112 ILE MG 1 116 GLU QB 0.000 . 5.800 2.251 1.877 2.693 . 0 0 "[ . 1 . 2 ]" 1
696 1 112 ILE MG 1 116 GLU H 0.000 . 6.500 4.058 3.614 4.376 . 0 0 "[ . 1 . 2 ]" 1
697 1 113 ASP H 1 116 GLU QB 0.000 . 6.000 2.225 1.717 2.606 . 0 0 "[ . 1 . 2 ]" 1
698 1 113 ASP H 1 116 GLU QG 0.000 . 4.500 3.090 2.292 4.080 . 0 0 "[ . 1 . 2 ]" 1
699 1 114 ARG HA 1 117 LEU MD1 0.000 . 6.500 3.641 2.592 4.615 . 0 0 "[ . 1 . 2 ]" 1
700 1 114 ARG QB 1 117 LEU MD1 0.000 . 7.500 5.059 4.015 5.710 . 0 0 "[ . 1 . 2 ]" 1
701 1 115 GLN HA 1 118 LEU H 0.000 . 5.000 3.649 3.170 4.241 . 0 0 "[ . 1 . 2 ]" 1
702 1 116 GLU HA 1 119 ASP QB 0.000 . 6.000 2.918 2.408 3.429 . 0 0 "[ . 1 . 2 ]" 1
703 1 116 GLU HA 1 119 ASP H 0.000 . 5.000 3.856 3.324 4.127 . 0 0 "[ . 1 . 2 ]" 1
704 1 116 GLU HA 1 120 ILE MD 0.000 . 6.500 5.315 4.794 5.491 . 0 0 "[ . 1 . 2 ]" 1
705 1 117 LEU HA 1 120 ILE MG 0.000 . 6.500 4.136 3.550 5.009 . 0 0 "[ . 1 . 2 ]" 1
706 1 117 LEU HA 1 120 ILE H 0.000 . 5.000 3.012 2.578 4.115 . 0 0 "[ . 1 . 2 ]" 1
707 1 117 LEU HA 1 121 VAL QG 0.000 . 7.400 3.471 2.841 4.788 . 0 0 "[ . 1 . 2 ]" 1
708 1 117 LEU MD2 1 120 ILE HB 0.000 . 6.500 3.384 2.511 5.240 . 0 0 "[ . 1 . 2 ]" 1
709 1 117 LEU MD1 1 120 ILE H 0.000 . 6.500 5.589 4.814 5.877 . 0 0 "[ . 1 . 2 ]" 1
710 1 118 LEU HA 1 121 VAL H 0.000 . 5.000 3.989 3.328 4.286 . 0 0 "[ . 1 . 2 ]" 1
711 1 118 LEU QD 1 122 GLU H 0.000 . 7.400 3.652 2.342 4.540 . 0 0 "[ . 1 . 2 ]" 1
712 1 118 LEU HG 1 122 GLU H 0.000 . 5.000 4.839 4.103 5.255 0.255 4 0 "[ . 1 . 2 ]" 1
713 1 119 ASP HA 1 122 GLU QB 0.000 . 6.000 2.757 2.515 3.113 . 0 0 "[ . 1 . 2 ]" 1
714 1 119 ASP HA 1 122 GLU H 0.000 . 5.000 3.910 3.689 4.124 . 0 0 "[ . 1 . 2 ]" 1
715 1 120 ILE HA 1 123 SER H 0.000 . 5.000 3.381 3.026 3.736 . 0 0 "[ . 1 . 2 ]" 1
716 1 120 ILE HA 1 124 ILE MD 0.000 . 6.500 3.700 3.491 3.922 . 0 0 "[ . 1 . 2 ]" 1
717 1 120 ILE MD 1 124 ILE MD 0.000 . 5.700 3.740 3.513 3.884 . 0 0 "[ . 1 . 2 ]" 1
718 1 120 ILE MG 1 123 SER QB 0.000 . 7.500 3.371 3.106 3.899 . 0 0 "[ . 1 . 2 ]" 1
719 1 120 ILE MG 1 124 ILE HA 0.000 . 6.500 5.122 4.682 5.345 . 0 0 "[ . 1 . 2 ]" 1
720 1 120 ILE MG 1 124 ILE MD 0.000 . 5.700 1.900 1.732 2.089 . 0 0 "[ . 1 . 2 ]" 1
721 1 120 ILE MG 1 124 ILE MG 0.000 . 8.000 4.769 4.550 4.963 . 0 0 "[ . 1 . 2 ]" 1
722 1 121 VAL HA 1 124 ILE HA 0.000 . 5.000 5.095 5.030 5.186 0.186 7 0 "[ . 1 . 2 ]" 1
723 1 121 VAL HA 1 124 ILE HB 0.000 . 5.000 2.300 2.191 2.422 . 0 0 "[ . 1 . 2 ]" 1
724 1 121 VAL HA 1 124 ILE MD 0.000 . 6.500 2.140 1.985 2.428 . 0 0 "[ . 1 . 2 ]" 1
725 1 121 VAL HA 1 124 ILE H 0.000 . 5.000 3.090 2.932 3.230 . 0 0 "[ . 1 . 2 ]" 1
726 1 122 GLU HA 1 125 TYR QB 0.000 . 4.300 2.648 2.313 3.232 . 0 0 "[ . 1 . 2 ]" 1
727 1 122 GLU HA 1 125 TYR H 0.000 . 5.000 3.583 3.351 3.922 . 0 0 "[ . 1 . 2 ]" 1
728 1 123 SER QB 1 125 TYR H 0.000 . 6.000 4.634 4.295 5.248 . 0 0 "[ . 1 . 2 ]" 1
729 1 124 ILE HA 1 127 LEU QB 0.000 . 4.300 3.034 2.359 3.756 . 0 0 "[ . 1 . 2 ]" 1
730 1 124 ILE HA 1 127 LEU H 0.000 . 5.000 3.743 3.438 4.083 . 0 0 "[ . 1 . 2 ]" 1
731 1 124 ILE MG 1 127 LEU H 0.000 . 6.500 4.781 4.403 5.292 . 0 0 "[ . 1 . 2 ]" 1
732 1 125 TYR HA 1 128 LYS QB 0.000 . 4.300 2.707 2.261 3.809 . 0 0 "[ . 1 . 2 ]" 1
733 1 127 LEU HA 1 130 ALA MB 0.000 . 6.500 3.498 2.192 4.904 . 0 0 "[ . 1 . 2 ]" 1
734 1 127 LEU QD 1 131 CYS HA 0.000 . 5.700 3.654 3.001 4.208 . 0 0 "[ . 1 . 2 ]" 1
735 1 128 LYS HA 1 131 CYS H 0.000 . 5.000 3.542 2.997 4.203 . 0 0 "[ . 1 . 2 ]" 1
736 1 128 LYS QG 1 131 CYS QB 0.000 . 5.300 3.305 2.419 3.987 . 0 0 "[ . 1 . 2 ]" 1
737 1 128 LYS QG 1 131 CYS H 0.000 . 6.000 4.583 3.885 5.352 . 0 0 "[ . 1 . 2 ]" 1
738 1 131 CYS QB 1 133 VAL HB 0.000 . 6.000 4.330 2.797 5.283 . 0 0 "[ . 1 . 2 ]" 1
739 1 131 CYS HB3 1 133 VAL QG 0.000 . 5.700 2.755 2.038 3.744 . 0 0 "[ . 1 . 2 ]" 1
740 1 131 CYS HB2 1 133 VAL QG 0.000 . 5.700 3.251 1.939 3.936 . 0 0 "[ . 1 . 2 ]" 1
741 1 135 VAL HA 1 137 ALA H 0.000 . 5.000 3.781 2.976 5.093 0.093 15 0 "[ . 1 . 2 ]" 1
742 1 135 VAL QG 1 137 ALA H 0.000 . 5.300 3.079 1.933 4.044 . 0 0 "[ . 1 . 2 ]" 1
743 1 135 VAL QG 1 138 GLU H 0.000 . 7.400 4.019 1.887 5.343 . 0 0 "[ . 1 . 2 ]" 1
744 1 137 ALA HA 1 140 GLN QB 0.000 . 4.300 3.472 2.608 3.919 . 0 0 "[ . 1 . 2 ]" 1
745 1 144 LEU MD1 1 146 PRO HA 0.000 . 4.800 3.844 3.398 4.148 . 0 0 "[ . 1 . 2 ]" 1
746 1 144 LEU MD1 1 147 GLU H 0.000 . 6.500 5.120 4.617 5.304 . 0 0 "[ . 1 . 2 ]" 1
747 1 144 LEU MD1 1 148 GLU QB 0.000 . 5.800 3.263 2.359 3.722 . 0 0 "[ . 1 . 2 ]" 1
748 1 144 LEU MD1 1 148 GLU H 0.000 . 6.500 4.438 3.767 4.899 . 0 0 "[ . 1 . 2 ]" 1
749 1 144 LEU MD2 1 148 GLU QB 0.000 . 5.800 2.865 2.166 3.492 . 0 0 "[ . 1 . 2 ]" 1
750 1 144 LEU MD2 1 148 GLU H 0.000 . 6.500 4.976 4.344 5.402 . 0 0 "[ . 1 . 2 ]" 1
751 1 145 THR HA 1 147 GLU H 0.000 . 5.000 3.995 3.714 5.348 0.348 4 0 "[ . 1 . 2 ]" 1
752 1 145 THR HB 1 147 GLU H 0.000 . 5.000 2.910 2.182 5.758 0.758 4 1 "[ +. 1 . 2 ]" 1
753 1 145 THR MG 1 147 GLU H 0.000 . 6.500 3.997 2.788 4.488 . 0 0 "[ . 1 . 2 ]" 1
754 1 145 THR MG 1 148 GLU H 0.000 . 6.500 4.048 1.975 5.413 . 0 0 "[ . 1 . 2 ]" 1
755 1 145 THR H 1 148 GLU QB 0.000 . 4.500 2.488 1.622 4.294 . 0 0 "[ . 1 . 2 ]" 1
756 1 145 THR H 1 148 GLU H 0.000 . 5.000 3.636 3.104 5.032 0.032 4 0 "[ . 1 . 2 ]" 1
757 1 146 PRO HA 1 149 VAL MG2 0.000 . 6.500 3.656 2.285 5.331 . 0 0 "[ . 1 . 2 ]" 1
758 1 147 GLU HA 1 150 VAL HB 0.000 . 5.000 2.588 2.222 2.865 . 0 0 "[ . 1 . 2 ]" 1
759 1 147 GLU HA 1 150 VAL MG2 0.000 . 6.500 3.058 2.518 3.392 . 0 0 "[ . 1 . 2 ]" 1
760 1 147 GLU HA 1 150 VAL MG1 0.000 . 4.800 3.781 3.186 4.159 . 0 0 "[ . 1 . 2 ]" 1
761 1 147 GLU HA 1 150 VAL H 0.000 . 5.000 3.658 2.758 3.965 . 0 0 "[ . 1 . 2 ]" 1
762 1 147 GLU H 1 150 VAL MG2 0.000 . 6.500 4.878 4.325 5.260 . 0 0 "[ . 1 . 2 ]" 1
763 1 148 GLU HA 1 151 ASP QB 0.000 . 4.300 2.850 2.572 3.193 . 0 0 "[ . 1 . 2 ]" 1
764 1 148 GLU HA 1 151 ASP H 0.000 . 3.500 3.475 3.237 3.568 0.068 7 0 "[ . 1 . 2 ]" 1
765 1 149 VAL HA 1 152 ARG QB 0.000 . 4.300 2.352 2.112 2.807 . 0 0 "[ . 1 . 2 ]" 1
766 1 149 VAL HA 1 152 ARG H 0.000 . 5.000 3.181 2.895 3.463 . 0 0 "[ . 1 . 2 ]" 1
767 1 149 VAL HB 1 152 ARG H 0.000 . 5.000 5.057 4.878 5.113 0.113 4 0 "[ . 1 . 2 ]" 1
768 1 149 VAL HB 1 153 ILE MD 0.000 . 6.500 3.594 2.991 4.485 . 0 0 "[ . 1 . 2 ]" 1
769 1 149 VAL MG1 1 153 ILE MD 0.000 . 6.300 4.281 4.175 4.397 . 0 0 "[ . 1 . 2 ]" 1
770 1 150 VAL HA 1 153 ILE HB 0.000 . 5.000 3.036 2.327 3.456 . 0 0 "[ . 1 . 2 ]" 1
771 1 150 VAL HA 1 153 ILE MD 0.000 . 6.500 2.865 2.380 3.287 . 0 0 "[ . 1 . 2 ]" 1
772 1 150 VAL HA 1 153 ILE H 0.000 . 5.000 3.669 3.213 4.079 . 0 0 "[ . 1 . 2 ]" 1
773 1 150 VAL QG 1 153 ILE MD 0.000 . 6.600 3.536 3.101 3.899 . 0 0 "[ . 1 . 2 ]" 1
774 1 150 VAL QG 1 154 PHE QD 0.000 . 7.700 4.023 2.990 4.548 . 0 0 "[ . 1 . 2 ]" 1
775 1 151 ASP HA 1 154 PHE QB 0.000 . 4.300 2.879 2.392 3.335 . 0 0 "[ . 1 . 2 ]" 1
776 1 152 ARG HA 1 155 LEU H 0.000 . 5.000 3.715 3.307 4.054 . 0 0 "[ . 1 . 2 ]" 1
777 1 153 ILE HA 1 156 LEU H 0.000 . 5.000 3.982 3.591 4.676 . 0 0 "[ . 1 . 2 ]" 1
778 1 153 ILE MG 1 157 VAL QG 0.000 . 7.200 2.705 2.079 3.300 . 0 0 "[ . 1 . 2 ]" 1
779 1 153 ILE MG 1 157 VAL H 0.000 . 6.500 4.205 3.963 4.461 . 0 0 "[ . 1 . 2 ]" 1
780 1 154 PHE HA 1 157 VAL H 0.000 . 5.000 3.927 3.623 4.337 . 0 0 "[ . 1 . 2 ]" 1
781 1 155 LEU QD 1 159 GLU H 0.000 . 7.400 4.804 3.690 5.496 . 0 0 "[ . 1 . 2 ]" 1
782 1 158 ASP HA 1 160 ASN H 0.000 . 5.000 3.728 2.934 5.091 0.091 19 0 "[ . 1 . 2 ]" 1
783 1 158 ASP QB 1 160 ASN H 0.000 . 6.000 4.488 2.846 5.248 . 0 0 "[ . 1 . 2 ]" 1
784 1 159 GLU QB 1 161 GLY H 0.000 . 6.000 4.714 4.122 5.339 . 0 0 "[ . 1 . 2 ]" 1
785 1 159 GLU QG 1 161 GLY H 0.000 . 6.000 4.817 3.810 5.315 . 0 0 "[ . 1 . 2 ]" 1
786 1 161 GLY H 1 163 GLY H 0.000 . 5.000 4.482 3.305 5.028 0.028 7 0 "[ . 1 . 2 ]" 1
787 1 165 LEU MD1 1 169 GLU QG 0.000 . 5.800 3.567 2.105 4.214 . 0 0 "[ . 1 . 2 ]" 1
788 1 166 SER HA 1 168 ASN H 0.000 . 5.000 4.818 4.435 5.035 0.035 2 0 "[ . 1 . 2 ]" 1
789 1 166 SER HA 1 169 GLU H 0.000 . 5.000 4.992 4.771 5.072 0.072 10 0 "[ . 1 . 2 ]" 1
790 1 166 SER QB 1 168 ASN H 0.000 . 4.500 3.257 2.646 3.623 . 0 0 "[ . 1 . 2 ]" 1
791 1 166 SER QB 1 169 GLU H 0.000 . 4.500 3.135 2.723 3.922 . 0 0 "[ . 1 . 2 ]" 1
792 1 166 SER QB 1 170 PHE H 0.000 . 6.000 4.575 4.211 5.176 . 0 0 "[ . 1 . 2 ]" 1
793 1 166 SER H 1 169 GLU QG 0.000 . 4.500 3.408 2.188 4.093 . 0 0 "[ . 1 . 2 ]" 1
794 1 167 LEU HA 1 169 GLU H 0.000 . 5.000 4.376 4.089 4.643 . 0 0 "[ . 1 . 2 ]" 1
795 1 167 LEU HA 1 170 PHE QB 0.000 . 4.300 2.354 2.063 2.756 . 0 0 "[ . 1 . 2 ]" 1
796 1 167 LEU HA 1 170 PHE H 0.000 . 5.000 3.279 3.006 3.800 . 0 0 "[ . 1 . 2 ]" 1
797 1 167 LEU QB 1 169 GLU H 0.000 . 6.000 4.678 4.431 5.017 . 0 0 "[ . 1 . 2 ]" 1
798 1 167 LEU MD1 1 170 PHE QB 0.000 . 7.500 2.727 2.194 3.746 . 0 0 "[ . 1 . 2 ]" 1
799 1 167 LEU MD1 1 170 PHE QD 0.000 . 8.500 2.889 2.219 3.763 . 0 0 "[ . 1 . 2 ]" 1
800 1 167 LEU MD1 1 171 VAL HA 0.000 . 6.500 4.575 3.958 5.091 . 0 0 "[ . 1 . 2 ]" 1
801 1 167 LEU MD1 1 171 VAL HB 0.000 . 6.500 4.669 3.570 5.328 . 0 0 "[ . 1 . 2 ]" 1
802 1 167 LEU MD1 1 171 VAL MG1 0.000 . 8.000 2.693 1.989 4.270 . 0 0 "[ . 1 . 2 ]" 1
803 1 167 LEU MD1 1 171 VAL MG2 0.000 . 6.300 3.313 1.867 4.162 . 0 0 "[ . 1 . 2 ]" 1
804 1 168 ASN HA 1 171 VAL MG1 0.000 . 4.800 3.890 3.329 4.339 . 0 0 "[ . 1 . 2 ]" 1
805 1 168 ASN HA 1 171 VAL MG2 0.000 . 6.500 2.721 2.232 3.793 . 0 0 "[ . 1 . 2 ]" 1
806 1 168 ASN HA 1 171 VAL H 0.000 . 5.000 4.186 3.704 4.634 . 0 0 "[ . 1 . 2 ]" 1
807 1 168 ASN H 1 171 VAL MG2 0.000 . 6.500 4.249 3.629 4.571 . 0 0 "[ . 1 . 2 ]" 1
808 1 170 PHE HA 1 173 GLY H 0.000 . 5.000 3.566 3.224 3.988 . 0 0 "[ . 1 . 2 ]" 1
809 1 171 VAL HA 1 174 ALA MB 0.000 . 4.800 2.469 2.111 3.097 . 0 0 "[ . 1 . 2 ]" 1
810 1 171 VAL HA 1 174 ALA H 0.000 . 5.000 3.131 2.848 3.531 . 0 0 "[ . 1 . 2 ]" 1
811 1 171 VAL MG1 1 173 GLY H 0.000 . 6.500 4.892 4.113 5.264 . 0 0 "[ . 1 . 2 ]" 1
812 1 171 VAL MG2 1 175 ARG QB 0.000 . 5.800 4.223 3.573 5.260 . 0 0 "[ . 1 . 2 ]" 1
813 1 172 GLU HA 1 175 ARG H 0.000 . 5.000 4.071 3.281 4.625 . 0 0 "[ . 1 . 2 ]" 1
814 1 172 GLU HA 1 176 ARG H 0.000 . 5.000 4.706 3.991 5.047 0.047 1 0 "[ . 1 . 2 ]" 1
815 1 173 GLY QA 1 176 ARG H 0.000 . 6.000 3.853 3.402 4.305 . 0 0 "[ . 1 . 2 ]" 1
816 1 174 ALA HA 1 177 ASP QB 0.000 . 4.300 3.373 2.756 3.967 . 0 0 "[ . 1 . 2 ]" 1
817 1 174 ALA HA 1 177 ASP H 0.000 . 5.000 4.329 3.333 5.036 0.036 14 0 "[ . 1 . 2 ]" 1
818 1 174 ALA MB 1 177 ASP QB 0.000 . 7.500 4.621 3.921 5.020 . 0 0 "[ . 1 . 2 ]" 1
819 1 177 ASP HA 1 179 TRP H 0.000 . 5.000 4.135 3.517 4.961 . 0 0 "[ . 1 . 2 ]" 1
820 1 177 ASP QB 1 180 VAL QG 0.000 . 6.100 2.362 1.840 3.938 . 0 0 "[ . 1 . 2 ]" 1
821 1 179 TRP HA 1 182 LYS H 0.000 . 5.000 3.823 3.483 4.400 . 0 0 "[ . 1 . 2 ]" 1
822 1 180 VAL HA 1 183 MET H 0.000 . 5.000 3.752 3.360 4.212 . 0 0 "[ . 1 . 2 ]" 1
823 1 6 SER HA 1 79 LEU HA 0.000 . 5.000 4.936 4.254 5.060 0.060 1 0 "[ . 1 . 2 ]" 1
824 1 7 TRP HD1 1 24 LEU QD 0.000 . 7.400 4.091 2.604 5.478 . 0 0 "[ . 1 . 2 ]" 1
825 1 7 TRP HH2 1 79 LEU MD1 0.000 . 6.500 4.578 2.720 5.320 . 0 0 "[ . 1 . 2 ]" 1
826 1 7 TRP HH2 1 79 LEU MD2 0.000 . 6.500 4.648 3.464 5.337 . 0 0 "[ . 1 . 2 ]" 1
827 1 10 ALA MB 1 16 VAL QG 0.000 . 7.200 3.179 2.266 4.424 . 0 0 "[ . 1 . 2 ]" 1
828 1 16 VAL QG 1 21 ALA MB 0.000 . 7.200 2.872 1.863 3.918 . 0 0 "[ . 1 . 2 ]" 1
829 1 16 VAL QG 1 21 ALA H 0.000 . 5.900 3.486 2.696 4.376 . 0 0 "[ . 1 . 2 ]" 1
830 1 24 LEU QD 1 78 PHE QD 0.000 . 7.700 4.292 3.679 5.144 . 0 0 "[ . 1 . 2 ]" 1
831 1 24 LEU QD 1 78 PHE QE 0.000 . 7.700 2.659 2.157 3.565 . 0 0 "[ . 1 . 2 ]" 1
832 1 24 LEU QD 1 79 LEU HA 0.000 . 7.400 4.795 4.154 5.417 . 0 0 "[ . 1 . 2 ]" 1
833 1 24 LEU QD 1 82 VAL MG2 0.000 . 6.600 2.901 2.139 3.801 . 0 0 "[ . 1 . 2 ]" 1
834 1 27 TRP HE3 1 82 VAL MG1 0.000 . 6.500 4.036 3.226 5.231 . 0 0 "[ . 1 . 2 ]" 1
835 1 27 TRP HH2 1 82 VAL HA 0.000 . 5.000 4.799 3.465 5.118 0.118 1 0 "[ . 1 . 2 ]" 1
836 1 27 TRP HH2 1 82 VAL MG2 0.000 . 6.500 3.804 2.165 4.894 . 0 0 "[ . 1 . 2 ]" 1
837 1 27 TRP HH2 1 85 LEU MD1 0.000 . 4.800 2.632 1.930 3.135 . 0 0 "[ . 1 . 2 ]" 1
838 1 27 TRP HH2 1 85 LEU MD2 0.000 . 6.500 4.783 3.965 5.434 . 0 0 "[ . 1 . 2 ]" 1
839 1 27 TRP HZ2 1 85 LEU MD1 0.000 . 6.500 3.527 2.307 4.429 . 0 0 "[ . 1 . 2 ]" 1
840 1 27 TRP HZ2 1 89 LEU MD2 0.000 . 6.500 4.750 3.032 5.481 . 0 0 "[ . 1 . 2 ]" 1
841 1 28 TYR QB 1 78 PHE QD 0.000 . 8.000 4.066 2.685 6.118 . 0 0 "[ . 1 . 2 ]" 1
842 1 28 TYR QE 1 78 PHE QB 0.000 . 6.300 3.257 2.193 4.458 . 0 0 "[ . 1 . 2 ]" 1
843 1 28 TYR H 1 78 PHE QE 0.000 . 7.000 4.193 3.413 6.517 . 0 0 "[ . 1 . 2 ]" 1
844 1 31 PHE QD 1 38 GLY H 0.000 . 7.000 5.562 4.808 6.482 . 0 0 "[ . 1 . 2 ]" 1
845 1 31 PHE QD 1 39 THR HA 0.000 . 7.000 6.039 5.330 6.413 . 0 0 "[ . 1 . 2 ]" 1
846 1 31 PHE QE 1 39 THR HA 0.000 . 7.000 3.868 3.077 4.353 . 0 0 "[ . 1 . 2 ]" 1
847 1 31 PHE QE 1 40 LEU QD 0.000 . 7.700 2.664 2.036 3.579 . 0 0 "[ . 1 . 2 ]" 1
848 1 31 PHE QE 1 48 PHE QE 0.000 . 9.000 5.941 2.468 7.185 . 0 0 "[ . 1 . 2 ]" 1
849 1 31 PHE QE 1 77 ASP HA 0.000 . 7.000 4.640 4.218 5.446 . 0 0 "[ . 1 . 2 ]" 1
850 1 31 PHE QE 1 78 PHE QD 0.000 . 9.000 3.906 3.115 4.935 . 0 0 "[ . 1 . 2 ]" 1
851 1 31 PHE HZ 1 77 ASP HA 0.000 . 5.000 4.955 4.361 5.160 0.160 2 0 "[ . 1 . 2 ]" 1
852 1 32 LEU QB 1 38 GLY H 0.000 . 6.000 4.457 3.323 5.327 . 0 0 "[ . 1 . 2 ]" 1
853 1 32 LEU MD1 1 39 THR MG 0.000 . 8.000 5.246 4.674 5.456 . 0 0 "[ . 1 . 2 ]" 1
854 1 32 LEU MD2 1 38 GLY QA 0.000 . 5.800 2.220 1.834 2.618 . 0 0 "[ . 1 . 2 ]" 1
855 1 32 LEU MD2 1 38 GLY H 0.000 . 6.500 2.332 1.649 3.515 . 0 0 "[ . 1 . 2 ]" 1
856 1 32 LEU MD2 1 39 THR H 0.000 . 5.000 3.950 3.181 4.298 . 0 0 "[ . 1 . 2 ]" 1
857 1 32 LEU MD2 1 78 PHE QB 0.000 . 7.500 4.673 3.062 5.440 . 0 0 "[ . 1 . 2 ]" 1
858 1 39 THR HA 1 77 ASP HA 0.000 . 5.000 2.787 2.152 3.809 . 0 0 "[ . 1 . 2 ]" 1
859 1 39 THR HA 1 77 ASP QB 0.000 . 6.000 4.512 3.734 5.247 . 0 0 "[ . 1 . 2 ]" 1
860 1 39 THR HA 1 78 PHE H 0.000 . 5.000 3.878 3.085 4.806 . 0 0 "[ . 1 . 2 ]" 1
861 1 39 THR MG 1 77 ASP HA 0.000 . 4.800 3.373 2.200 3.775 . 0 0 "[ . 1 . 2 ]" 1
862 1 39 THR MG 1 77 ASP QB 0.000 . 7.500 3.876 2.554 4.860 . 0 0 "[ . 1 . 2 ]" 1
863 1 39 THR MG 1 78 PHE H 0.000 . 6.500 4.582 3.657 5.170 . 0 0 "[ . 1 . 2 ]" 1
864 1 40 LEU QD 1 45 PHE HA 0.000 . 7.400 2.568 2.015 3.151 . 0 0 "[ . 1 . 2 ]" 1
865 1 40 LEU QD 1 45 PHE QB 0.000 . 8.400 2.529 2.015 3.392 . 0 0 "[ . 1 . 2 ]" 1
866 1 40 LEU QD 1 45 PHE QD 0.000 . 7.700 2.427 1.866 3.519 . 0 0 "[ . 1 . 2 ]" 1
867 1 40 LEU QD 1 45 PHE H 0.000 . 5.900 3.282 2.769 4.003 . 0 0 "[ . 1 . 2 ]" 1
868 1 40 LEU QD 1 46 LYS H 0.000 . 7.400 4.783 4.392 5.323 . 0 0 "[ . 1 . 2 ]" 1
869 1 40 LEU QD 1 48 PHE QD 0.000 . 9.400 4.038 2.345 5.183 . 0 0 "[ . 1 . 2 ]" 1
870 1 40 LEU QD 1 76 ILE HB 0.000 . 7.400 3.166 2.091 5.258 . 0 0 "[ . 1 . 2 ]" 1
871 1 40 LEU QD 1 76 ILE MD 0.000 . 7.200 3.854 3.283 4.301 . 0 0 "[ . 1 . 2 ]" 1
872 1 40 LEU QD 1 76 ILE MG 0.000 . 7.200 2.705 1.727 3.675 . 0 0 "[ . 1 . 2 ]" 1
873 1 40 LEU QD 1 81 TYR QE 0.000 . 7.700 4.305 3.524 4.874 . 0 0 "[ . 1 . 2 ]" 1
874 1 40 LEU H 1 75 THR HB 0.000 . 5.000 4.950 4.611 5.104 0.104 1 0 "[ . 1 . 2 ]" 1
875 1 40 LEU H 1 76 ILE H 0.000 . 5.000 3.290 2.502 3.928 . 0 0 "[ . 1 . 2 ]" 1
876 1 40 LEU H 1 77 ASP HA 0.000 . 5.000 3.441 2.617 4.308 . 0 0 "[ . 1 . 2 ]" 1
877 1 41 PHE QB 1 75 THR HA 0.000 . 6.000 4.937 3.785 5.398 . 0 0 "[ . 1 . 2 ]" 1
878 1 41 PHE QD 1 75 THR HB 0.000 . 7.000 4.844 2.942 6.369 . 0 0 "[ . 1 . 2 ]" 1
879 1 41 PHE QD 1 75 THR MG 0.000 . 8.500 3.701 2.114 6.103 . 0 0 "[ . 1 . 2 ]" 1
880 1 45 PHE QB 1 65 PHE QB 0.000 . 7.000 4.246 3.271 5.287 . 0 0 "[ . 1 . 2 ]" 1
881 1 45 PHE QD 1 62 GLU HA 0.000 . 7.000 5.557 4.934 6.544 . 0 0 "[ . 1 . 2 ]" 1
882 1 45 PHE QD 1 65 PHE HA 0.000 . 7.000 5.317 4.714 6.152 . 0 0 "[ . 1 . 2 ]" 1
883 1 45 PHE QD 1 65 PHE H 0.000 . 7.000 5.165 3.876 6.271 . 0 0 "[ . 1 . 2 ]" 1
884 1 45 PHE QD 1 76 ILE MD 0.000 . 8.500 4.255 2.367 6.024 . 0 0 "[ . 1 . 2 ]" 1
885 1 45 PHE QD 1 76 ILE MG 0.000 . 8.500 4.015 3.012 4.953 . 0 0 "[ . 1 . 2 ]" 1
886 1 45 PHE QD 1 81 TYR HA 0.000 . 7.000 5.548 4.844 6.124 . 0 0 "[ . 1 . 2 ]" 1
887 1 45 PHE QD 1 85 LEU MD2 0.000 . 8.500 6.162 5.712 6.506 . 0 0 "[ . 1 . 2 ]" 1
888 1 45 PHE QE 1 84 ALA MB 0.000 . 6.800 4.330 3.666 5.157 . 0 0 "[ . 1 . 2 ]" 1
889 1 45 PHE HZ 1 84 ALA MB 0.000 . 6.500 4.190 3.389 5.015 . 0 0 "[ . 1 . 2 ]" 1
890 1 46 LYS HA 1 61 VAL QG 0.000 . 7.400 2.476 2.112 3.133 . 0 0 "[ . 1 . 2 ]" 1
891 1 46 LYS QB 1 58 THR MG 0.000 . 7.500 4.280 2.226 5.623 . 0 0 "[ . 1 . 2 ]" 1
892 1 46 LYS QB 1 61 VAL QG 0.000 . 6.100 2.966 2.148 3.722 . 0 0 "[ . 1 . 2 ]" 1
893 1 46 LYS QD 1 58 THR HA 0.000 . 6.000 3.739 2.566 5.368 . 0 0 "[ . 1 . 2 ]" 1
894 1 46 LYS QE 1 61 VAL QG 0.000 . 8.400 4.428 2.723 5.560 . 0 0 "[ . 1 . 2 ]" 1
895 1 46 LYS QG 1 61 VAL QG 0.000 . 6.700 2.911 1.941 3.949 . 0 0 "[ . 1 . 2 ]" 1
896 1 46 LYS H 1 61 VAL QG 0.000 . 5.900 3.782 2.920 4.080 . 0 0 "[ . 1 . 2 ]" 1
897 1 49 PHE QD 1 61 VAL QG 0.000 . 7.700 3.573 2.412 5.175 . 0 0 "[ . 1 . 2 ]" 1
898 1 49 PHE QE 1 85 LEU MD1 0.000 . 8.500 5.260 4.272 6.364 . 0 0 "[ . 1 . 2 ]" 1
899 1 49 PHE QE 1 85 LEU MD2 0.000 . 6.800 3.457 2.475 4.587 . 0 0 "[ . 1 . 2 ]" 1
900 1 56 GLU QB 1 127 LEU HA 0.000 . 6.000 4.188 3.158 5.136 . 0 0 "[ . 1 . 2 ]" 1
901 1 57 ALA HA 1 127 LEU QD 0.000 . 7.400 3.019 1.922 3.813 . 0 0 "[ . 1 . 2 ]" 1
902 1 57 ALA MB 1 127 LEU HA 0.000 . 4.800 3.443 2.738 3.862 . 0 0 "[ . 1 . 2 ]" 1
903 1 57 ALA MB 1 127 LEU QD 0.000 . 7.200 2.079 1.802 2.648 . 0 0 "[ . 1 . 2 ]" 1
904 1 57 ALA H 1 127 LEU HA 0.000 . 5.000 5.000 4.706 5.111 0.111 2 0 "[ . 1 . 2 ]" 1
905 1 60 TYR QD 1 120 ILE MD 0.000 . 8.500 4.766 3.330 5.808 . 0 0 "[ . 1 . 2 ]" 1
906 1 60 TYR QD 1 124 ILE MD 0.000 . 8.500 3.787 3.114 4.635 . 0 0 "[ . 1 . 2 ]" 1
907 1 60 TYR QE 1 103 ILE MD 0.000 . 8.500 4.274 3.290 5.057 . 0 0 "[ . 1 . 2 ]" 1
908 1 60 TYR QE 1 124 ILE MD 0.000 . 6.800 3.500 2.500 4.290 . 0 0 "[ . 1 . 2 ]" 1
909 1 61 VAL HA 1 103 ILE MD 0.000 . 7.000 5.774 5.650 5.894 . 0 0 "[ . 1 . 2 ]" 1
910 1 63 ALA MB 1 103 ILE HA 0.000 . 6.500 4.599 3.707 4.868 . 0 0 "[ . 1 . 2 ]" 1
911 1 63 ALA MB 1 103 ILE MD 0.000 . 6.300 2.269 1.942 2.675 . 0 0 "[ . 1 . 2 ]" 1
912 1 63 ALA MB 1 103 ILE MG 0.000 . 6.300 3.290 2.401 3.661 . 0 0 "[ . 1 . 2 ]" 1
913 1 63 ALA MB 1 120 ILE HA 0.000 . 6.500 4.604 3.766 5.009 . 0 0 "[ . 1 . 2 ]" 1
914 1 63 ALA MB 1 120 ILE MD 0.000 . 5.900 2.822 2.323 3.891 . 0 0 "[ . 1 . 2 ]" 1
915 1 63 ALA MB 1 120 ILE MG 0.000 . 6.500 4.253 3.741 4.459 . 0 0 "[ . 1 . 2 ]" 1
916 1 63 ALA MB 1 123 SER QB 0.000 . 7.500 4.111 3.420 4.907 . 0 0 "[ . 1 . 2 ]" 1
917 1 64 MET HA 1 103 ILE MD 0.000 . 4.800 2.453 2.150 3.577 . 0 0 "[ . 1 . 2 ]" 1
918 1 64 MET HA 1 103 ILE MG 0.000 . 6.500 5.092 4.650 5.405 . 0 0 "[ . 1 . 2 ]" 1
919 1 64 MET QB 1 103 ILE MD 0.000 . 7.500 3.979 3.613 5.016 . 0 0 "[ . 1 . 2 ]" 1
920 1 64 MET ME 1 84 ALA MB 0.000 . 8.000 4.813 4.040 5.502 . 0 0 "[ . 1 . 2 ]" 1
921 1 64 MET ME 1 88 VAL QG 0.000 . 6.600 3.351 2.519 3.936 . 0 0 "[ . 1 . 2 ]" 1
922 1 64 MET ME 1 103 ILE HA 0.000 . 7.500 5.855 4.974 6.240 . 0 0 "[ . 1 . 2 ]" 1
923 1 64 MET ME 1 103 ILE MD 0.000 . 6.300 3.051 2.245 3.594 . 0 0 "[ . 1 . 2 ]" 1
924 1 64 MET ME 1 103 ILE MG 0.000 . 8.000 4.509 3.786 5.161 . 0 0 "[ . 1 . 2 ]" 1
925 1 65 PHE QD 1 76 ILE MD 0.000 . 8.500 3.137 1.935 3.994 . 0 0 "[ . 1 . 2 ]" 1
926 1 65 PHE QE 1 74 ASN HA 0.000 . 7.000 3.247 2.181 4.899 . 0 0 "[ . 1 . 2 ]" 1
927 1 65 PHE QE 1 74 ASN H 0.000 . 5.500 4.492 3.750 5.188 . 0 0 "[ . 1 . 2 ]" 1
928 1 65 PHE QE 1 75 THR HA 0.000 . 7.000 3.699 2.740 4.705 . 0 0 "[ . 1 . 2 ]" 1
929 1 65 PHE QE 1 75 THR H 0.000 . 7.000 4.427 3.692 5.125 . 0 0 "[ . 1 . 2 ]" 1
930 1 65 PHE QE 1 76 ILE MD 0.000 . 8.500 2.970 2.100 3.850 . 0 0 "[ . 1 . 2 ]" 1
931 1 65 PHE QE 1 76 ILE MG 0.000 . 6.800 4.071 2.270 4.713 . 0 0 "[ . 1 . 2 ]" 1
932 1 65 PHE QE 1 76 ILE H 0.000 . 7.000 3.610 2.149 4.995 . 0 0 "[ . 1 . 2 ]" 1
933 1 65 PHE HZ 1 75 THR HA 0.000 . 5.000 3.210 2.338 4.171 . 0 0 "[ . 1 . 2 ]" 1
934 1 65 PHE HZ 1 75 THR H 0.000 . 5.000 3.639 3.038 4.434 . 0 0 "[ . 1 . 2 ]" 1
935 1 65 PHE HZ 1 76 ILE H 0.000 . 5.000 4.210 3.349 5.043 0.043 3 0 "[ . 1 . 2 ]" 1
936 1 66 ARG QB 1 103 ILE MD 0.000 . 7.500 4.019 3.614 5.291 . 0 0 "[ . 1 . 2 ]" 1
937 1 67 ALA HA 1 102 LYS QB 0.000 . 6.000 4.100 2.931 5.035 . 0 0 "[ . 1 . 2 ]" 1
938 1 67 ALA HA 1 103 ILE MD 0.000 . 6.500 4.660 4.121 5.431 . 0 0 "[ . 1 . 2 ]" 1
939 1 67 ALA MB 1 99 TRP HA 0.000 . 6.500 5.197 4.639 5.368 . 0 0 "[ . 1 . 2 ]" 1
940 1 67 ALA MB 1 99 TRP HZ2 0.000 . 6.500 4.149 2.386 5.252 . 0 0 "[ . 1 . 2 ]" 1
941 1 67 ALA MB 1 102 LYS HA 0.000 . 6.500 4.355 3.707 5.097 . 0 0 "[ . 1 . 2 ]" 1
942 1 67 ALA MB 1 102 LYS QB 0.000 . 7.500 2.653 2.128 3.128 . 0 0 "[ . 1 . 2 ]" 1
943 1 67 ALA MB 1 103 ILE HA 0.000 . 4.800 1.968 1.885 2.346 . 0 0 "[ . 1 . 2 ]" 1
944 1 67 ALA MB 1 103 ILE HB 0.000 . 6.500 3.773 3.489 4.120 . 0 0 "[ . 1 . 2 ]" 1
945 1 67 ALA MB 1 103 ILE MD 0.000 . 8.000 2.264 1.958 2.887 . 0 0 "[ . 1 . 2 ]" 1
946 1 67 ALA MB 1 103 ILE MG 0.000 . 6.300 3.597 2.921 3.840 . 0 0 "[ . 1 . 2 ]" 1
947 1 67 ALA H 1 103 ILE MD 0.000 . 6.500 3.357 3.036 4.585 . 0 0 "[ . 1 . 2 ]" 1
948 1 67 ALA H 1 103 ILE MG 0.000 . 6.500 5.359 4.431 5.518 . 0 0 "[ . 1 . 2 ]" 1
949 1 68 PHE QB 1 76 ILE MD 0.000 . 7.500 3.681 2.049 4.858 . 0 0 "[ . 1 . 2 ]" 1
950 1 68 PHE QD 1 76 ILE MD 0.000 . 8.500 3.566 2.232 4.928 . 0 0 "[ . 1 . 2 ]" 1
951 1 68 PHE QD 1 84 ALA MB 0.000 . 8.500 3.215 2.685 3.582 . 0 0 "[ . 1 . 2 ]" 1
952 1 68 PHE QE 1 83 ALA MB 0.000 . 8.500 3.081 2.144 4.000 . 0 0 "[ . 1 . 2 ]" 1
953 1 68 PHE QE 1 84 ALA HA 0.000 . 7.000 2.382 2.154 3.382 . 0 0 "[ . 1 . 2 ]" 1
954 1 68 PHE QE 1 84 ALA MB 0.000 . 8.500 2.635 2.136 3.226 . 0 0 "[ . 1 . 2 ]" 1
955 1 68 PHE HZ 1 83 ALA MB 0.000 . 6.500 2.982 1.953 5.257 . 0 0 "[ . 1 . 2 ]" 1
956 1 70 THR H 1 76 ILE MD 0.000 . 6.500 5.188 4.417 5.503 . 0 0 "[ . 1 . 2 ]" 1
957 1 76 ILE MD 1 84 ALA MB 0.000 . 8.000 4.551 3.898 5.513 . 0 0 "[ . 1 . 2 ]" 1
958 1 76 ILE MG 1 81 TYR QB 0.000 . 7.500 2.334 1.905 3.346 . 0 0 "[ . 1 . 2 ]" 1
959 1 76 ILE MG 1 81 TYR QD 0.000 . 8.500 3.914 3.104 5.010 . 0 0 "[ . 1 . 2 ]" 1
960 1 76 ILE MG 1 81 TYR H 0.000 . 6.500 2.665 2.014 4.343 . 0 0 "[ . 1 . 2 ]" 1
961 1 84 ALA MB 1 99 TRP HZ2 0.000 . 6.500 4.998 4.405 5.378 . 0 0 "[ . 1 . 2 ]" 1
962 1 87 LEU MD1 1 95 HIS HA 0.000 . 6.500 4.880 3.939 5.322 . 0 0 "[ . 1 . 2 ]" 1
963 1 87 LEU MD1 1 95 HIS QB 0.000 . 5.800 3.031 1.814 4.086 . 0 0 "[ . 1 . 2 ]" 1
964 1 87 LEU MD1 1 95 HIS HE1 0.000 . 6.500 4.667 3.503 5.429 . 0 0 "[ . 1 . 2 ]" 1
965 1 87 LEU MD1 1 96 LYS HA 0.000 . 6.500 2.640 2.087 3.023 . 0 0 "[ . 1 . 2 ]" 1
966 1 87 LEU MD1 1 96 LYS QB 0.000 . 5.800 3.638 2.614 4.292 . 0 0 "[ . 1 . 2 ]" 1
967 1 87 LEU MD1 1 96 LYS QE 0.000 . 5.800 3.647 2.023 4.385 . 0 0 "[ . 1 . 2 ]" 1
968 1 87 LEU MD1 1 99 TRP QB 0.000 . 5.800 2.687 1.926 3.567 . 0 0 "[ . 1 . 2 ]" 1
969 1 87 LEU MD1 1 99 TRP HD1 0.000 . 6.500 4.063 2.153 5.254 . 0 0 "[ . 1 . 2 ]" 1
970 1 87 LEU MD1 1 99 TRP HE3 0.000 . 6.500 4.344 3.093 5.351 . 0 0 "[ . 1 . 2 ]" 1
971 1 87 LEU MD2 1 95 HIS HA 0.000 . 6.500 5.030 4.315 5.330 . 0 0 "[ . 1 . 2 ]" 1
972 1 87 LEU MD2 1 95 HIS QB 0.000 . 5.800 2.986 2.345 3.903 . 0 0 "[ . 1 . 2 ]" 1
973 1 87 LEU MD2 1 95 HIS HD2 0.000 . 6.500 3.798 2.068 5.248 . 0 0 "[ . 1 . 2 ]" 1
974 1 87 LEU MD2 1 96 LYS HA 0.000 . 6.500 4.207 2.298 5.209 . 0 0 "[ . 1 . 2 ]" 1
975 1 87 LEU MD2 1 99 TRP QB 0.000 . 5.800 3.361 1.873 4.166 . 0 0 "[ . 1 . 2 ]" 1
976 1 87 LEU MD2 1 99 TRP HD1 0.000 . 6.500 4.050 2.463 5.388 . 0 0 "[ . 1 . 2 ]" 1
977 1 97 LEU QB 1 170 PHE QD 0.000 . 8.000 3.940 2.763 5.472 . 0 0 "[ . 1 . 2 ]" 1
978 1 97 LEU QB 1 171 VAL MG2 0.000 . 5.800 4.388 1.951 6.519 0.719 15 1 "[ . 1 + 2 ]" 1
979 1 97 LEU MD1 1 170 PHE QE 0.000 . 8.500 3.732 2.034 4.615 . 0 0 "[ . 1 . 2 ]" 1
980 1 97 LEU MD1 1 174 ALA MB 0.000 . 6.300 3.035 1.902 3.904 . 0 0 "[ . 1 . 2 ]" 1
981 1 97 LEU MD1 1 174 ALA H 0.000 . 6.000 4.654 4.336 4.893 . 0 0 "[ . 1 . 2 ]" 1
982 1 97 LEU MD1 1 175 ARG H 0.000 . 5.000 3.967 3.443 4.167 . 0 0 "[ . 1 . 2 ]" 1
983 1 97 LEU MD2 1 167 LEU MD1 0.000 . 8.000 5.018 3.033 5.522 . 0 0 "[ . 1 . 2 ]" 1
984 1 97 LEU MD2 1 170 PHE QD 0.000 . 8.500 4.073 2.504 5.212 . 0 0 "[ . 1 . 2 ]" 1
985 1 97 LEU MD2 1 170 PHE HZ 0.000 . 6.500 4.219 2.906 5.251 . 0 0 "[ . 1 . 2 ]" 1
986 1 97 LEU MD2 1 171 VAL MG2 0.000 . 6.300 5.054 3.557 5.757 . 0 0 "[ . 1 . 2 ]" 1
987 1 97 LEU MD2 1 174 ALA MB 0.000 . 5.900 2.744 1.855 3.314 . 0 0 "[ . 1 . 2 ]" 1
988 1 97 LEU MD2 1 174 ALA H 0.000 . 6.500 5.094 4.372 5.308 . 0 0 "[ . 1 . 2 ]" 1
989 1 97 LEU MD2 1 175 ARG HA 0.000 . 6.500 3.560 2.544 5.334 . 0 0 "[ . 1 . 2 ]" 1
990 1 97 LEU MD2 1 175 ARG H 0.000 . 6.500 4.548 3.647 5.194 . 0 0 "[ . 1 . 2 ]" 1
991 1 97 LEU MD2 1 181 MET ME 0.000 . 8.000 3.804 2.088 5.377 . 0 0 "[ . 1 . 2 ]" 1
992 1 98 LYS HA 1 167 LEU MD1 0.000 . 6.500 2.734 2.137 3.483 . 0 0 "[ . 1 . 2 ]" 1
993 1 98 LYS QB 1 167 LEU MD1 0.000 . 5.800 3.870 3.230 4.211 . 0 0 "[ . 1 . 2 ]" 1
994 1 98 LYS QE 1 167 LEU MD1 0.000 . 7.500 4.476 3.170 5.447 . 0 0 "[ . 1 . 2 ]" 1
995 1 98 LYS QG 1 167 LEU MD1 0.000 . 7.500 3.727 2.441 5.479 . 0 0 "[ . 1 . 2 ]" 1
996 1 100 THR MG 1 167 LEU MD1 0.000 . 8.000 5.041 4.345 5.476 . 0 0 "[ . 1 . 2 ]" 1
997 1 101 PHE HA 1 112 ILE MD 0.000 . 6.500 3.013 2.363 4.019 . 0 0 "[ . 1 . 2 ]" 1
998 1 101 PHE QB 1 112 ILE MD 0.000 . 7.500 3.868 3.303 4.866 . 0 0 "[ . 1 . 2 ]" 1
999 1 101 PHE QB 1 167 LEU MD1 0.000 . 7.500 2.419 1.969 3.093 . 0 0 "[ . 1 . 2 ]" 1
1000 1 101 PHE QD 1 112 ILE MD 0.000 . 6.800 2.690 2.153 3.809 . 0 0 "[ . 1 . 2 ]" 1
1001 1 101 PHE QD 1 167 LEU MD1 0.000 . 6.800 2.706 2.312 3.160 . 0 0 "[ . 1 . 2 ]" 1
1002 1 101 PHE QD 1 170 PHE H 0.000 . 7.000 4.956 4.559 5.690 . 0 0 "[ . 1 . 2 ]" 1
1003 1 101 PHE QD 1 171 VAL H 0.000 . 7.000 4.885 4.287 5.743 . 0 0 "[ . 1 . 2 ]" 1
1004 1 101 PHE QE 1 110 GLY QA 0.000 . 6.300 3.404 2.664 4.356 . 0 0 "[ . 1 . 2 ]" 1
1005 1 101 PHE QE 1 111 CYS H 0.000 . 7.000 4.494 3.589 5.298 . 0 0 "[ . 1 . 2 ]" 1
1006 1 101 PHE QE 1 112 ILE MD 0.000 . 8.500 2.515 2.161 3.310 . 0 0 "[ . 1 . 2 ]" 1
1007 1 101 PHE QE 1 112 ILE H 0.000 . 5.500 4.050 3.146 4.889 . 0 0 "[ . 1 . 2 ]" 1
1008 1 101 PHE QE 1 166 SER HA 0.000 . 5.300 3.425 2.614 4.563 . 0 0 "[ . 1 . 2 ]" 1
1009 1 101 PHE QE 1 167 LEU MD1 0.000 . 6.800 3.561 3.082 4.173 . 0 0 "[ . 1 . 2 ]" 1
1010 1 101 PHE QE 1 167 LEU H 0.000 . 5.500 3.558 2.855 4.458 . 0 0 "[ . 1 . 2 ]" 1
1011 1 101 PHE QE 1 168 ASN H 0.000 . 7.000 5.483 4.931 6.278 . 0 0 "[ . 1 . 2 ]" 1
1012 1 101 PHE QE 1 170 PHE H 0.000 . 7.000 4.440 3.887 4.975 . 0 0 "[ . 1 . 2 ]" 1
1013 1 101 PHE H 1 170 PHE QD 0.000 . 7.000 5.080 4.075 5.832 . 0 0 "[ . 1 . 2 ]" 1
1014 1 101 PHE HZ 1 110 GLY QA 0.000 . 6.000 4.177 3.017 5.336 . 0 0 "[ . 1 . 2 ]" 1
1015 1 101 PHE HZ 1 111 CYS HA 0.000 . 3.300 2.670 2.179 3.244 . 0 0 "[ . 1 . 2 ]" 1
1016 1 101 PHE HZ 1 111 CYS QB 0.000 . 6.000 4.526 3.747 5.104 . 0 0 "[ . 1 . 2 ]" 1
1017 1 101 PHE HZ 1 111 CYS H 0.000 . 5.000 4.358 3.524 4.980 . 0 0 "[ . 1 . 2 ]" 1
1018 1 101 PHE HZ 1 112 ILE HA 0.000 . 5.500 5.240 4.681 5.545 0.045 2 0 "[ . 1 . 2 ]" 1
1019 1 101 PHE HZ 1 112 ILE H 0.000 . 5.000 3.665 2.329 4.437 . 0 0 "[ . 1 . 2 ]" 1
1020 1 101 PHE HZ 1 166 SER HA 0.000 . 5.000 3.091 2.264 4.360 . 0 0 "[ . 1 . 2 ]" 1
1021 1 101 PHE HZ 1 167 LEU MD1 0.000 . 6.500 4.487 3.710 5.246 . 0 0 "[ . 1 . 2 ]" 1
1022 1 101 PHE HZ 1 167 LEU H 0.000 . 5.000 3.497 2.695 4.125 . 0 0 "[ . 1 . 2 ]" 1
1023 1 103 ILE HB 1 120 ILE MD 0.000 . 6.500 4.823 4.329 5.278 . 0 0 "[ . 1 . 2 ]" 1
1024 1 103 ILE MD 1 120 ILE MD 0.000 . 6.300 2.981 2.668 3.793 . 0 0 "[ . 1 . 2 ]" 1
1025 1 103 ILE MD 1 120 ILE QG 0.000 . 5.800 4.166 4.014 4.344 . 0 0 "[ . 1 . 2 ]" 1
1026 1 103 ILE MD 1 120 ILE MG 0.000 . 6.300 3.900 3.371 4.170 . 0 0 "[ . 1 . 2 ]" 1
1027 1 103 ILE QG 1 120 ILE MD 0.000 . 7.500 4.556 4.209 4.891 . 0 0 "[ . 1 . 2 ]" 1
1028 1 103 ILE MG 1 120 ILE HA 0.000 . 6.500 4.698 4.214 5.265 . 0 0 "[ . 1 . 2 ]" 1
1029 1 103 ILE MG 1 120 ILE HB 0.000 . 6.500 4.385 3.826 4.748 . 0 0 "[ . 1 . 2 ]" 1
1030 1 103 ILE MG 1 120 ILE MD 0.000 . 8.000 2.169 1.989 2.554 . 0 0 "[ . 1 . 2 ]" 1
1031 1 103 ILE MG 1 120 ILE QG 0.000 . 7.500 2.576 2.060 3.311 . 0 0 "[ . 1 . 2 ]" 1
1032 1 103 ILE MG 1 120 ILE MG 0.000 . 6.300 2.572 1.993 2.921 . 0 0 "[ . 1 . 2 ]" 1
1033 1 104 TYR HA 1 112 ILE MD 0.000 . 6.500 4.531 4.062 5.270 . 0 0 "[ . 1 . 2 ]" 1
1034 1 104 TYR HA 1 112 ILE MG 0.000 . 6.500 4.302 3.652 5.290 . 0 0 "[ . 1 . 2 ]" 1
1035 1 104 TYR HA 1 120 ILE MD 0.000 . 4.800 3.289 1.906 3.746 . 0 0 "[ . 1 . 2 ]" 1
1036 1 104 TYR HA 1 120 ILE MG 0.000 . 4.800 3.825 3.467 4.002 . 0 0 "[ . 1 . 2 ]" 1
1037 1 104 TYR QB 1 112 ILE MG 0.000 . 5.800 2.434 2.010 2.997 . 0 0 "[ . 1 . 2 ]" 1
1038 1 104 TYR QB 1 120 ILE MD 0.000 . 7.500 4.936 3.491 5.367 . 0 0 "[ . 1 . 2 ]" 1
1039 1 104 TYR QD 1 112 ILE MG 0.000 . 8.500 3.655 2.731 4.445 . 0 0 "[ . 1 . 2 ]" 1
1040 1 104 TYR QD 1 117 LEU MD2 0.000 . 6.800 2.879 1.923 3.664 . 0 0 "[ . 1 . 2 ]" 1
1041 1 104 TYR QD 1 120 ILE MD 0.000 . 8.500 4.032 2.137 4.511 . 0 0 "[ . 1 . 2 ]" 1
1042 1 104 TYR QD 1 120 ILE MG 0.000 . 8.500 3.246 2.689 3.864 . 0 0 "[ . 1 . 2 ]" 1
1043 1 104 TYR QD 1 124 ILE MD 0.000 . 8.500 5.208 4.716 5.681 . 0 0 "[ . 1 . 2 ]" 1
1044 1 104 TYR QD 1 153 ILE MD 0.000 . 8.500 5.826 4.986 6.370 . 0 0 "[ . 1 . 2 ]" 1
1045 1 104 TYR QE 1 117 LEU MD2 0.000 . 6.800 2.739 1.951 4.768 . 0 0 "[ . 1 . 2 ]" 1
1046 1 104 TYR QE 1 120 ILE HB 0.000 . 5.300 2.816 2.189 4.124 . 0 0 "[ . 1 . 2 ]" 1
1047 1 104 TYR QE 1 120 ILE MD 0.000 . 8.500 4.453 3.290 4.848 . 0 0 "[ . 1 . 2 ]" 1
1048 1 104 TYR QE 1 120 ILE MG 0.000 . 8.500 2.363 1.935 3.161 . 0 0 "[ . 1 . 2 ]" 1
1049 1 104 TYR QE 1 124 ILE MD 0.000 . 6.800 3.776 3.139 4.399 . 0 0 "[ . 1 . 2 ]" 1
1050 1 104 TYR QE 1 153 ILE MD 0.000 . 8.500 4.605 3.293 5.335 . 0 0 "[ . 1 . 2 ]" 1
1051 1 105 ASP HA 1 112 ILE MG 0.000 . 6.500 4.099 3.156 4.852 . 0 0 "[ . 1 . 2 ]" 1
1052 1 105 ASP QB 1 112 ILE MD 0.000 . 7.500 3.965 2.805 5.014 . 0 0 "[ . 1 . 2 ]" 1
1053 1 105 ASP H 1 112 ILE MD 0.000 . 6.500 4.209 2.836 5.247 . 0 0 "[ . 1 . 2 ]" 1
1054 1 105 ASP H 1 112 ILE QG 0.000 . 6.000 4.047 3.229 5.422 . 0 0 "[ . 1 . 2 ]" 1
1055 1 105 ASP H 1 112 ILE MG 0.000 . 6.500 4.911 4.146 5.324 . 0 0 "[ . 1 . 2 ]" 1
1056 1 106 LYS HA 1 120 ILE MD 0.000 . 6.500 5.179 4.621 5.390 . 0 0 "[ . 1 . 2 ]" 1
1057 1 106 LYS QB 1 120 ILE MD 0.000 . 7.500 4.078 3.052 5.319 . 0 0 "[ . 1 . 2 ]" 1
1058 1 111 CYS HA 1 165 LEU QB 0.000 . 6.000 4.929 4.393 5.211 . 0 0 "[ . 1 . 2 ]" 1
1059 1 111 CYS HA 1 166 SER HA 0.000 . 5.000 2.770 2.203 3.613 . 0 0 "[ . 1 . 2 ]" 1
1060 1 111 CYS HA 1 167 LEU H 0.000 . 5.000 4.549 4.045 5.039 0.039 18 0 "[ . 1 . 2 ]" 1
1061 1 111 CYS QB 1 165 LEU H 0.000 . 6.000 3.749 2.740 4.739 . 0 0 "[ . 1 . 2 ]" 1
1062 1 111 CYS QB 1 166 SER H 0.000 . 6.000 4.954 4.231 5.351 . 0 0 "[ . 1 . 2 ]" 1
1063 1 112 ILE MD 1 117 LEU MD2 0.000 . 8.000 4.380 3.090 5.410 . 0 0 "[ . 1 . 2 ]" 1
1064 1 112 ILE MD 1 117 LEU MD1 0.000 . 8.500 3.915 3.005 5.380 . 0 0 "[ . 1 . 2 ]" 1
1065 1 112 ILE MD 1 165 LEU MD2 0.000 . 6.300 2.533 1.976 4.116 . 0 0 "[ . 1 . 2 ]" 1
1066 1 112 ILE MD 1 165 LEU MD1 0.000 . 8.000 4.448 3.667 5.632 . 0 0 "[ . 1 . 2 ]" 1
1067 1 112 ILE MD 1 170 PHE QB 0.000 . 7.500 3.671 3.182 5.414 . 0 0 "[ . 1 . 2 ]" 1
1068 1 112 ILE MD 1 170 PHE QD 0.000 . 8.500 3.649 2.274 5.785 . 0 0 "[ . 1 . 2 ]" 1
1069 1 112 ILE MG 1 117 LEU HA 0.000 . 6.500 4.243 3.656 4.618 . 0 0 "[ . 1 . 2 ]" 1
1070 1 112 ILE MG 1 117 LEU QB 0.000 . 5.800 3.729 2.159 4.382 . 0 0 "[ . 1 . 2 ]" 1
1071 1 112 ILE MG 1 117 LEU MD2 0.000 . 6.300 3.374 1.814 4.389 . 0 0 "[ . 1 . 2 ]" 1
1072 1 112 ILE MG 1 153 ILE MG 0.000 . 8.000 4.892 4.458 5.323 . 0 0 "[ . 1 . 2 ]" 1
1073 1 112 ILE MG 1 154 PHE QE 0.000 . 8.500 3.075 2.345 3.399 . 0 0 "[ . 1 . 2 ]" 1
1074 1 112 ILE MG 1 154 PHE HZ 0.000 . 6.500 4.844 3.872 5.226 . 0 0 "[ . 1 . 2 ]" 1
1075 1 112 ILE MG 1 165 LEU QB 0.000 . 7.500 3.277 2.540 3.741 . 0 0 "[ . 1 . 2 ]" 1
1076 1 112 ILE MG 1 165 LEU MD2 0.000 . 6.300 2.808 2.053 3.695 . 0 0 "[ . 1 . 2 ]" 1
1077 1 112 ILE MG 1 165 LEU MD1 0.000 . 8.000 4.946 4.352 5.433 . 0 0 "[ . 1 . 2 ]" 1
1078 1 112 ILE H 1 165 LEU QB 0.000 . 6.000 3.052 2.491 3.466 . 0 0 "[ . 1 . 2 ]" 1
1079 1 112 ILE H 1 165 LEU HG 0.000 . 5.000 4.261 3.474 4.891 . 0 0 "[ . 1 . 2 ]" 1
1080 1 112 ILE H 1 165 LEU H 0.000 . 5.000 3.262 2.545 3.931 . 0 0 "[ . 1 . 2 ]" 1
1081 1 113 ASP HA 1 164 GLN HA 0.000 . 5.000 4.352 3.599 4.813 . 0 0 "[ . 1 . 2 ]" 1
1082 1 113 ASP HA 1 165 LEU H 0.000 . 5.000 3.947 3.615 4.329 . 0 0 "[ . 1 . 2 ]" 1
1083 1 114 ARG HA 1 154 PHE QD 0.000 . 7.000 3.740 2.778 4.689 . 0 0 "[ . 1 . 2 ]" 1
1084 1 114 ARG H 1 154 PHE QD 0.000 . 7.000 4.438 3.520 5.660 . 0 0 "[ . 1 . 2 ]" 1
1085 1 117 LEU MD2 1 150 VAL HA 0.000 . 6.500 4.012 2.699 5.527 . 0 0 "[ . 1 . 2 ]" 1
1086 1 117 LEU MD2 1 150 VAL QG 0.000 . 6.600 3.100 1.915 3.966 . 0 0 "[ . 1 . 2 ]" 1
1087 1 117 LEU MD2 1 153 ILE HB 0.000 . 6.500 4.253 3.112 5.533 . 0 0 "[ . 1 . 2 ]" 1
1088 1 117 LEU MD2 1 153 ILE MG 0.000 . 5.700 3.338 2.155 3.781 . 0 0 "[ . 1 . 2 ]" 1
1089 1 117 LEU MD2 1 154 PHE QD 0.000 . 8.500 4.492 2.177 5.384 . 0 0 "[ . 1 . 2 ]" 1
1090 1 117 LEU MD2 1 165 LEU MD2 0.000 . 8.000 4.417 2.781 5.373 . 0 0 "[ . 1 . 2 ]" 1
1091 1 117 LEU MD1 1 150 VAL HA 0.000 . 4.800 3.590 3.153 3.812 . 0 0 "[ . 1 . 2 ]" 1
1092 1 117 LEU MD1 1 153 ILE HB 0.000 . 6.500 3.471 3.090 3.947 . 0 0 "[ . 1 . 2 ]" 1
1093 1 117 LEU MD1 1 153 ILE MD 0.000 . 5.700 3.418 2.831 3.793 . 0 0 "[ . 1 . 2 ]" 1
1094 1 117 LEU MD1 1 153 ILE MG 0.000 . 5.700 2.685 1.973 3.444 . 0 0 "[ . 1 . 2 ]" 1
1095 1 117 LEU MD1 1 153 ILE H 0.000 . 6.500 5.210 4.907 5.378 . 0 0 "[ . 1 . 2 ]" 1
1096 1 117 LEU MD1 1 154 PHE HA 0.000 . 6.500 4.392 3.517 5.296 . 0 0 "[ . 1 . 2 ]" 1
1097 1 117 LEU MD1 1 154 PHE QD 0.000 . 6.800 3.046 2.434 4.237 . 0 0 "[ . 1 . 2 ]" 1
1098 1 117 LEU MD1 1 165 LEU MD2 0.000 . 6.300 3.447 2.754 4.348 . 0 0 "[ . 1 . 2 ]" 1
1099 1 118 LEU HA 1 150 VAL MG1 0.000 . 6.500 3.610 2.870 4.347 . 0 0 "[ . 1 . 2 ]" 1
1100 1 118 LEU QD 1 147 GLU QB 0.000 . 6.700 3.072 2.575 4.072 . 0 0 "[ . 1 . 2 ]" 1
1101 1 118 LEU MD1 1 147 GLU HA 0.000 . 4.800 2.868 1.955 5.406 0.606 4 1 "[ +. 1 . 2 ]" 1
1102 1 118 LEU MD1 1 147 GLU H 0.000 . 6.500 4.244 3.089 5.330 . 0 0 "[ . 1 . 2 ]" 1
1103 1 118 LEU MD2 1 147 GLU HA 0.000 . 6.500 3.764 2.730 4.056 . 0 0 "[ . 1 . 2 ]" 1
1104 1 118 LEU MD2 1 147 GLU H 0.000 . 6.500 4.878 3.281 5.292 . 0 0 "[ . 1 . 2 ]" 1
1105 1 121 VAL HB 1 149 VAL MG1 0.000 . 6.500 5.045 4.458 5.510 . 0 0 "[ . 1 . 2 ]" 1
1106 1 121 VAL HB 1 153 ILE MD 0.000 . 6.500 4.948 4.300 5.491 . 0 0 "[ . 1 . 2 ]" 1
1107 1 121 VAL QG 1 147 GLU HA 0.000 . 7.400 4.670 3.034 5.364 . 0 0 "[ . 1 . 2 ]" 1
1108 1 124 ILE MD 1 153 ILE MD 0.000 . 8.000 5.356 4.909 5.562 . 0 0 "[ . 1 . 2 ]" 1
1109 1 124 ILE MD 1 184 LEU HA 0.000 . 6.500 4.309 3.316 5.079 . 0 0 "[ . 1 . 2 ]" 1
1110 1 124 ILE MD 1 184 LEU QB 0.000 . 7.500 5.150 3.640 5.628 . 0 0 "[ . 1 . 2 ]" 1
1111 1 124 ILE MD 1 186 MET HA 0.000 . 6.500 5.366 5.150 5.501 . 0 0 "[ . 1 . 2 ]" 1
1112 1 125 TYR QD 1 146 PRO HA 0.000 . 7.000 4.688 3.870 6.600 . 0 0 "[ . 1 . 2 ]" 1
1113 1 125 TYR QD 1 149 VAL MG1 0.000 . 6.800 4.779 4.065 5.187 . 0 0 "[ . 1 . 2 ]" 1
1114 1 125 TYR QE 1 149 VAL MG2 0.000 . 8.500 3.591 2.263 5.553 . 0 0 "[ . 1 . 2 ]" 1
1115 1 125 TYR QE 1 149 VAL MG1 0.000 . 6.800 3.244 2.163 4.454 . 0 0 "[ . 1 . 2 ]" 1
1116 1 137 ALA HA 1 143 LEU QD 0.000 . 5.700 3.372 1.946 4.203 . 0 0 "[ . 1 . 2 ]" 1
1117 1 137 ALA HA 1 144 LEU MD1 0.000 . 6.500 5.270 4.969 5.452 . 0 0 "[ . 1 . 2 ]" 1
1118 1 144 LEU MD1 1 149 VAL MG1 0.000 . 6.300 2.519 1.726 2.997 . 0 0 "[ . 1 . 2 ]" 1
1119 1 144 LEU MD1 1 149 VAL H 0.000 . 5.000 3.647 3.200 4.023 . 0 0 "[ . 1 . 2 ]" 1
1120 1 144 LEU MD2 1 149 VAL HA 0.000 . 6.500 3.893 3.140 5.165 . 0 0 "[ . 1 . 2 ]" 1
1121 1 144 LEU MD2 1 149 VAL MG1 0.000 . 5.700 2.267 1.853 3.483 . 0 0 "[ . 1 . 2 ]" 1
1122 1 144 LEU MD2 1 149 VAL H 0.000 . 5.000 3.271 2.628 3.986 . 0 0 "[ . 1 . 2 ]" 1
1123 1 144 LEU H 1 149 VAL MG1 0.000 . 6.500 5.444 5.275 5.805 . 0 0 "[ . 1 . 2 ]" 1
1124 1 149 VAL HA 1 179 TRP HZ3 0.000 . 5.500 5.349 4.823 5.564 0.064 14 0 "[ . 1 . 2 ]" 1
1125 1 153 ILE MD 1 183 MET HA 0.000 . 6.500 4.956 4.166 5.295 . 0 0 "[ . 1 . 2 ]" 1
1126 1 153 ILE MD 1 183 MET ME 0.000 . 6.300 3.484 2.520 4.225 . 0 0 "[ . 1 . 2 ]" 1
1127 1 153 ILE MD 1 184 LEU QB 0.000 . 5.800 3.474 2.134 4.277 . 0 0 "[ . 1 . 2 ]" 1
1128 1 153 ILE MD 1 184 LEU QD 0.000 . 5.800 2.673 1.910 3.372 . 0 0 "[ . 1 . 2 ]" 1
1129 1 153 ILE MG 1 165 LEU MD2 0.000 . 8.000 3.473 2.994 3.984 . 0 0 "[ . 1 . 2 ]" 1
1130 1 153 ILE MG 1 165 LEU MD1 0.000 . 8.000 4.667 4.148 5.044 . 0 0 "[ . 1 . 2 ]" 1
1131 1 153 ILE MG 1 174 ALA MB 0.000 . 8.000 5.316 4.919 5.475 . 0 0 "[ . 1 . 2 ]" 1
1132 1 154 PHE HA 1 165 LEU MD1 0.000 . 4.800 3.750 3.456 3.888 . 0 0 "[ . 1 . 2 ]" 1
1133 1 154 PHE QE 1 164 GLN H 0.000 . 7.000 4.147 2.181 6.267 . 0 0 "[ . 1 . 2 ]" 1
1134 1 154 PHE QE 1 165 LEU MD2 0.000 . 8.500 3.183 2.523 3.950 . 0 0 "[ . 1 . 2 ]" 1
1135 1 154 PHE HZ 1 164 GLN HA 0.000 . 5.000 3.127 2.344 3.989 . 0 0 "[ . 1 . 2 ]" 1
1136 1 154 PHE HZ 1 165 LEU H 0.000 . 3.500 2.622 1.692 3.421 . 0 0 "[ . 1 . 2 ]" 1
1137 1 156 LEU QD 1 179 TRP H 0.000 . 7.400 4.792 3.640 5.294 . 0 0 "[ . 1 . 2 ]" 1
1138 1 157 VAL HA 1 165 LEU MD1 0.000 . 6.500 4.710 4.402 5.339 . 0 0 "[ . 1 . 2 ]" 1
1139 1 157 VAL HB 1 165 LEU MD1 0.000 . 6.500 3.044 2.519 4.658 . 0 0 "[ . 1 . 2 ]" 1
1140 1 157 VAL QG 1 165 LEU MD2 0.000 . 7.200 2.572 2.060 3.209 . 0 0 "[ . 1 . 2 ]" 1
1141 1 157 VAL QG 1 165 LEU MD1 0.000 . 6.600 1.959 1.780 2.230 . 0 0 "[ . 1 . 2 ]" 1
1142 1 157 VAL QG 1 174 ALA MB 0.000 . 8.900 3.575 2.764 4.133 . 0 0 "[ . 1 . 2 ]" 1
1143 1 157 VAL QG 1 180 VAL QG 0.000 . 8.100 2.499 1.843 3.629 . 0 0 "[ . 1 . 2 ]" 1
1144 1 157 VAL H 1 165 LEU MD2 0.000 . 6.500 5.214 5.014 5.336 . 0 0 "[ . 1 . 2 ]" 1
1145 1 157 VAL H 1 165 LEU MD1 0.000 . 6.500 4.752 4.380 5.070 . 0 0 "[ . 1 . 2 ]" 1
1146 1 158 ASP HA 1 165 LEU MD1 0.000 . 6.500 3.315 2.556 4.223 . 0 0 "[ . 1 . 2 ]" 1
1147 1 158 ASP QB 1 165 LEU MD1 0.000 . 7.500 2.636 2.080 3.864 . 0 0 "[ . 1 . 2 ]" 1
1148 1 158 ASP H 1 165 LEU MD1 0.000 . 6.500 3.626 2.608 4.873 . 0 0 "[ . 1 . 2 ]" 1
1149 1 159 GLU H 1 165 LEU MD1 0.000 . 6.500 5.081 4.487 5.480 . 0 0 "[ . 1 . 2 ]" 1
1150 1 165 LEU MD2 1 170 PHE HA 0.000 . 6.500 3.594 2.841 4.291 . 0 0 "[ . 1 . 2 ]" 1
1151 1 165 LEU MD2 1 170 PHE QB 0.000 . 5.800 3.133 2.013 3.805 . 0 0 "[ . 1 . 2 ]" 1
1152 1 165 LEU MD2 1 170 PHE QD 0.000 . 6.800 2.548 1.959 3.618 . 0 0 "[ . 1 . 2 ]" 1
1153 1 165 LEU MD1 1 170 PHE QD 0.000 . 6.200 3.780 3.112 4.444 . 0 0 "[ . 1 . 2 ]" 1
1154 1 167 LEU MD1 1 174 ALA MB 0.000 . 8.000 5.145 4.802 5.355 . 0 0 "[ . 1 . 2 ]" 1
1155 1 170 PHE QE 1 180 VAL QG 0.000 . 9.400 4.027 3.020 5.357 . 0 0 "[ . 1 . 2 ]" 1
1156 1 173 GLY QA 1 180 VAL QG 0.000 . 6.700 3.833 3.415 4.259 . 0 0 "[ . 1 . 2 ]" 1
1157 1 173 GLY H 1 180 VAL QG 0.000 . 7.400 5.365 5.153 5.516 . 0 0 "[ . 1 . 2 ]" 1
1158 1 174 ALA HA 1 180 VAL QG 0.000 . 5.700 2.507 1.937 3.371 . 0 0 "[ . 1 . 2 ]" 1
1159 1 174 ALA MB 1 180 VAL QG 0.000 . 7.200 3.030 2.212 3.884 . 0 0 "[ . 1 . 2 ]" 1
1160 1 174 ALA MB 1 181 MET ME 0.000 . 8.000 4.518 2.980 5.302 . 0 0 "[ . 1 . 2 ]" 1
1161 1 174 ALA MB 1 184 LEU QD 0.000 . 5.800 3.214 2.993 3.509 . 0 0 "[ . 1 . 2 ]" 1
1162 1 174 ALA H 1 180 VAL QG 0.000 . 7.400 4.324 3.858 4.790 . 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 136
_Distance_constraint_stats_list.Viol_count 863
_Distance_constraint_stats_list.Viol_total 905.094
_Distance_constraint_stats_list.Viol_max 0.392
_Distance_constraint_stats_list.Viol_rms 0.0316
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0138
_Distance_constraint_stats_list.Viol_average_violations_only 0.0477
_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 7 TRP 0.674 0.113 13 0 "[ . 1 . 2 ]"
1 8 GLU 0.114 0.050 12 0 "[ . 1 . 2 ]"
1 9 GLU 1.396 0.140 15 0 "[ . 1 . 2 ]"
1 11 GLU 0.674 0.113 13 0 "[ . 1 . 2 ]"
1 12 GLU 0.114 0.050 12 0 "[ . 1 . 2 ]"
1 13 ASN 1.396 0.140 15 0 "[ . 1 . 2 ]"
1 19 ALA 0.316 0.101 12 0 "[ . 1 . 2 ]"
1 20 ASP 0.622 0.083 10 0 "[ . 1 . 2 ]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 22 ALA 1.214 0.122 22 0 "[ . 1 . 2 ]"
1 23 GLN 0.828 0.123 2 0 "[ . 1 . 2 ]"
1 24 LEU 0.813 0.083 10 0 "[ . 1 . 2 ]"
1 25 GLN 0.183 0.095 15 0 "[ . 1 . 2 ]"
1 26 GLU 1.305 0.122 22 0 "[ . 1 . 2 ]"
1 27 TRP 0.865 0.123 2 0 "[ . 1 . 2 ]"
1 28 TYR 0.734 0.072 8 0 "[ . 1 . 2 ]"
1 29 LYS 0.183 0.095 15 0 "[ . 1 . 2 ]"
1 30 LYS 0.092 0.020 3 0 "[ . 1 . 2 ]"
1 31 PHE 0.353 0.052 19 0 "[ . 1 . 2 ]"
1 32 LEU 0.543 0.072 8 0 "[ . 1 . 2 ]"
1 40 LEU 0.751 0.124 15 0 "[ . 1 . 2 ]"
1 42 MET 0.318 0.066 8 0 "[ . 1 . 2 ]"
1 43 HIS 0.299 0.057 21 0 "[ . 1 . 2 ]"
1 44 GLU 1.061 0.106 18 0 "[ . 1 . 2 ]"
1 45 PHE 0.430 0.094 2 0 "[ . 1 . 2 ]"
1 46 LYS 0.850 0.119 2 0 "[ . 1 . 2 ]"
1 47 ARG 3.417 0.392 11 0 "[ . 1 . 2 ]"
1 48 PHE 1.061 0.106 18 0 "[ . 1 . 2 ]"
1 49 PHE 0.430 0.094 2 0 "[ . 1 . 2 ]"
1 50 LYS 0.532 0.119 2 0 "[ . 1 . 2 ]"
1 51 VAL 3.118 0.392 11 0 "[ . 1 . 2 ]"
1 58 THR 0.137 0.050 22 0 "[ . 1 . 2 ]"
1 59 GLN 0.395 0.087 2 0 "[ . 1 . 2 ]"
1 60 TYR 1.552 0.177 4 0 "[ . 1 . 2 ]"
1 61 VAL 0.986 0.173 9 0 "[ . 1 . 2 ]"
1 62 GLU 0.621 0.102 3 0 "[ . 1 . 2 ]"
1 63 ALA 0.437 0.087 2 0 "[ . 1 . 2 ]"
1 64 MET 1.552 0.177 4 0 "[ . 1 . 2 ]"
1 65 PHE 0.986 0.173 9 0 "[ . 1 . 2 ]"
1 66 ARG 0.483 0.102 3 0 "[ . 1 . 2 ]"
1 67 ALA 0.042 0.042 2 0 "[ . 1 . 2 ]"
1 76 ILE 0.751 0.124 15 0 "[ . 1 . 2 ]"
1 78 PHE 0.020 0.016 3 0 "[ . 1 . 2 ]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 80 GLU 0.944 0.163 15 0 "[ . 1 . 2 ]"
1 81 TYR 3.033 0.154 7 0 "[ . 1 . 2 ]"
1 82 VAL 1.084 0.158 1 0 "[ . 1 . 2 ]"
1 83 ALA 1.189 0.150 3 0 "[ . 1 . 2 ]"
1 84 ALA 0.944 0.163 15 0 "[ . 1 . 2 ]"
1 85 LEU 3.067 0.154 7 0 "[ . 1 . 2 ]"
1 86 ASN 1.064 0.158 1 0 "[ . 1 . 2 ]"
1 87 LEU 1.189 0.150 3 0 "[ . 1 . 2 ]"
1 89 LEU 0.034 0.034 3 0 "[ . 1 . 2 ]"
1 95 HIS 0.512 0.090 22 0 "[ . 1 . 2 ]"
1 96 LYS 0.026 0.026 19 0 "[ . 1 . 2 ]"
1 97 LEU 0.176 0.040 1 0 "[ . 1 . 2 ]"
1 98 LYS 0.379 0.098 12 0 "[ . 1 . 2 ]"
1 99 TRP 1.539 0.172 14 0 "[ . 1 . 2 ]"
1 100 THR 1.544 0.101 1 0 "[ . 1 . 2 ]"
1 101 PHE 0.176 0.040 1 0 "[ . 1 . 2 ]"
1 102 LYS 0.379 0.098 12 0 "[ . 1 . 2 ]"
1 103 ILE 1.027 0.172 14 0 "[ . 1 . 2 ]"
1 104 TYR 1.518 0.101 1 0 "[ . 1 . 2 ]"
1 112 ILE 2.080 0.169 14 0 "[ . 1 . 2 ]"
1 114 ARG 0.341 0.086 12 0 "[ . 1 . 2 ]"
1 115 GLN 0.882 0.090 8 0 "[ . 1 . 2 ]"
1 116 GLU 1.052 0.130 15 0 "[ . 1 . 2 ]"
1 117 LEU 0.044 0.044 11 0 "[ . 1 . 2 ]"
1 118 LEU 1.695 0.115 21 0 "[ . 1 . 2 ]"
1 119 ASP 3.181 0.158 2 0 "[ . 1 . 2 ]"
1 120 ILE 1.052 0.130 15 0 "[ . 1 . 2 ]"
1 121 VAL 0.044 0.044 11 0 "[ . 1 . 2 ]"
1 122 GLU 1.486 0.115 21 0 "[ . 1 . 2 ]"
1 123 SER 2.938 0.158 2 0 "[ . 1 . 2 ]"
1 124 ILE 0.240 0.091 21 0 "[ . 1 . 2 ]"
1 125 TYR 0.072 0.029 4 0 "[ . 1 . 2 ]"
1 126 LYS 0.131 0.036 18 0 "[ . 1 . 2 ]"
1 127 LEU 0.638 0.118 3 0 "[ . 1 . 2 ]"
1 128 LYS 0.240 0.091 21 0 "[ . 1 . 2 ]"
1 129 LYS 0.072 0.029 4 0 "[ . 1 . 2 ]"
1 147 GLU 0.300 0.055 9 0 "[ . 1 . 2 ]"
1 148 GLU 0.157 0.061 18 0 "[ . 1 . 2 ]"
1 151 ASP 1.390 0.090 16 0 "[ . 1 . 2 ]"
1 152 ARG 0.302 0.061 18 0 "[ . 1 . 2 ]"
1 153 ILE 0.961 0.075 16 0 "[ . 1 . 2 ]"
1 155 LEU 1.090 0.090 16 0 "[ . 1 . 2 ]"
1 156 LEU 0.145 0.053 12 0 "[ . 1 . 2 ]"
1 157 VAL 0.961 0.075 16 0 "[ . 1 . 2 ]"
1 165 LEU 2.080 0.169 14 0 "[ . 1 . 2 ]"
1 167 LEU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 168 ASN 0.895 0.098 8 0 "[ . 1 . 2 ]"
1 169 GLU 0.592 0.066 9 0 "[ . 1 . 2 ]"
1 170 PHE 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 171 VAL 0.038 0.030 1 0 "[ . 1 . 2 ]"
1 172 GLU 0.895 0.098 8 0 "[ . 1 . 2 ]"
1 173 GLY 0.592 0.066 9 0 "[ . 1 . 2 ]"
1 174 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 175 ARG 0.038 0.030 1 0 "[ . 1 . 2 ]"
1 179 TRP 0.574 0.085 15 0 "[ . 1 . 2 ]"
1 180 VAL 0.059 0.029 2 0 "[ . 1 . 2 ]"
1 181 MET 0.097 0.042 15 0 "[ . 1 . 2 ]"
1 182 LYS 0.861 0.136 22 0 "[ . 1 . 2 ]"
1 183 MET 0.574 0.085 15 0 "[ . 1 . 2 ]"
1 184 LEU 0.059 0.029 2 0 "[ . 1 . 2 ]"
1 185 GLN 0.097 0.042 15 0 "[ . 1 . 2 ]"
1 186 MET 0.861 0.136 22 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 TRP O 1 11 GLU N 0.000 . 3.300 3.098 2.710 3.342 0.042 15 0 "[ . 1 . 2 ]" 2
2 1 7 TRP O 1 11 GLU H 0.000 . 2.300 2.201 1.789 2.413 0.113 13 0 "[ . 1 . 2 ]" 2
3 1 8 GLU O 1 12 GLU N 0.000 . 3.300 2.847 2.385 3.229 . 0 0 "[ . 1 . 2 ]" 2
4 1 8 GLU O 1 12 GLU H 0.000 . 2.300 1.959 1.445 2.350 0.050 12 0 "[ . 1 . 2 ]" 2
5 1 9 GLU O 1 13 ASN N 0.000 . 3.300 2.855 2.513 3.065 . 0 0 "[ . 1 . 2 ]" 2
6 1 9 GLU O 1 13 ASN H 0.000 . 2.300 2.363 2.314 2.440 0.140 15 0 "[ . 1 . 2 ]" 2
7 1 19 ALA O 1 23 GLN N 0.000 . 3.300 3.131 2.840 3.272 . 0 0 "[ . 1 . 2 ]" 2
8 1 19 ALA O 1 23 GLN H 0.000 . 2.300 2.256 1.987 2.401 0.101 12 0 "[ . 1 . 2 ]" 2
9 1 20 ASP O 1 24 LEU N 0.000 . 3.300 3.181 2.830 3.336 0.036 2 0 "[ . 1 . 2 ]" 2
10 1 20 ASP O 1 24 LEU H 0.000 . 2.300 2.258 1.936 2.383 0.083 10 0 "[ . 1 . 2 ]" 2
11 1 21 ALA O 1 25 GLN N 0.000 . 3.300 2.747 2.402 3.077 . 0 0 "[ . 1 . 2 ]" 2
12 1 21 ALA O 1 25 GLN H 0.000 . 2.300 1.827 1.442 2.125 . 0 0 "[ . 1 . 2 ]" 2
13 1 22 ALA O 1 26 GLU N 0.000 . 3.300 3.297 3.210 3.348 0.048 22 0 "[ . 1 . 2 ]" 2
14 1 22 ALA O 1 26 GLU H 0.000 . 2.300 2.344 2.305 2.422 0.122 22 0 "[ . 1 . 2 ]" 2
15 1 23 GLN O 1 27 TRP N 0.000 . 3.300 3.023 2.449 3.374 0.074 2 0 "[ . 1 . 2 ]" 2
16 1 23 GLN O 1 27 TRP H 0.000 . 2.300 2.145 1.561 2.423 0.123 2 0 "[ . 1 . 2 ]" 2
17 1 24 LEU O 1 28 TYR N 0.000 . 3.300 2.905 2.600 3.169 . 0 0 "[ . 1 . 2 ]" 2
18 1 24 LEU O 1 28 TYR H 0.000 . 2.300 2.097 1.633 2.371 0.071 12 0 "[ . 1 . 2 ]" 2
19 1 25 GLN O 1 29 LYS N 0.000 . 3.300 3.007 2.483 3.270 . 0 0 "[ . 1 . 2 ]" 2
20 1 25 GLN O 1 29 LYS H 0.000 . 2.300 2.119 1.619 2.395 0.095 15 0 "[ . 1 . 2 ]" 2
21 1 26 GLU O 1 30 LYS N 0.000 . 3.300 3.064 2.552 3.275 . 0 0 "[ . 1 . 2 ]" 2
22 1 26 GLU O 1 30 LYS H 0.000 . 2.300 2.142 1.606 2.320 0.020 3 0 "[ . 1 . 2 ]" 2
23 1 27 TRP O 1 31 PHE N 0.000 . 3.300 3.062 2.835 3.276 . 0 0 "[ . 1 . 2 ]" 2
24 1 27 TRP O 1 31 PHE H 0.000 . 2.300 2.269 1.999 2.352 0.052 19 0 "[ . 1 . 2 ]" 2
25 1 28 TYR O 1 32 LEU N 0.000 . 3.300 3.176 2.726 3.311 0.011 7 0 "[ . 1 . 2 ]" 2
26 1 28 TYR O 1 32 LEU H 0.000 . 2.300 2.275 1.799 2.372 0.072 8 0 "[ . 1 . 2 ]" 2
27 1 40 LEU O 1 76 ILE N 0.000 . 3.300 3.083 2.727 3.336 0.036 2 0 "[ . 1 . 2 ]" 2
28 1 40 LEU O 1 76 ILE H 0.000 . 2.300 2.169 1.757 2.364 0.064 2 0 "[ . 1 . 2 ]" 2
29 1 42 MET O 1 46 LYS N 0.000 . 3.300 3.131 2.729 3.340 0.040 8 0 "[ . 1 . 2 ]" 2
30 1 42 MET O 1 46 LYS H 0.000 . 2.300 2.200 1.765 2.366 0.066 8 0 "[ . 1 . 2 ]" 2
31 1 43 HIS O 1 47 ARG N 0.000 . 3.300 3.187 2.884 3.314 0.014 21 0 "[ . 1 . 2 ]" 2
32 1 43 HIS O 1 47 ARG H 0.000 . 2.300 2.255 1.951 2.357 0.057 21 0 "[ . 1 . 2 ]" 2
33 1 44 GLU O 1 48 PHE N 0.000 . 3.300 3.206 2.931 3.323 0.023 19 0 "[ . 1 . 2 ]" 2
34 1 44 GLU O 1 48 PHE H 0.000 . 2.300 2.343 2.235 2.406 0.106 18 0 "[ . 1 . 2 ]" 2
35 1 45 PHE O 1 49 PHE N 0.000 . 3.300 3.051 2.591 3.335 0.035 11 0 "[ . 1 . 2 ]" 2
36 1 45 PHE O 1 49 PHE H 0.000 . 2.300 2.193 1.841 2.394 0.094 2 0 "[ . 1 . 2 ]" 2
37 1 46 LYS O 1 50 LYS N 0.000 . 3.300 2.907 2.389 3.302 0.002 2 0 "[ . 1 . 2 ]" 2
38 1 46 LYS O 1 50 LYS H 0.000 . 2.300 2.157 1.535 2.419 0.119 2 0 "[ . 1 . 2 ]" 2
39 1 47 ARG O 1 51 VAL N 0.000 . 3.300 2.599 2.370 2.989 . 0 0 "[ . 1 . 2 ]" 2
40 1 47 ARG O 1 51 VAL H 0.000 . 2.300 2.340 1.629 2.692 0.392 11 0 "[ . 1 . 2 ]" 2
41 1 58 THR O 1 62 GLU N 0.000 . 3.300 3.033 2.576 3.319 0.019 22 0 "[ . 1 . 2 ]" 2
42 1 58 THR O 1 62 GLU H 0.000 . 2.300 2.113 1.661 2.350 0.050 22 0 "[ . 1 . 2 ]" 2
43 1 59 GLN O 1 63 ALA N 0.000 . 3.300 3.170 2.865 3.284 . 0 0 "[ . 1 . 2 ]" 2
44 1 59 GLN O 1 63 ALA H 0.000 . 2.300 2.273 1.934 2.387 0.087 2 0 "[ . 1 . 2 ]" 2
45 1 60 TYR O 1 64 MET N 0.000 . 3.300 3.252 2.957 3.347 0.047 4 0 "[ . 1 . 2 ]" 2
46 1 60 TYR O 1 64 MET H 0.000 . 2.300 2.356 2.067 2.477 0.177 4 0 "[ . 1 . 2 ]" 2
47 1 61 VAL O 1 65 PHE N 0.000 . 3.300 3.186 2.904 3.402 0.102 9 0 "[ . 1 . 2 ]" 2
48 1 61 VAL O 1 65 PHE H 0.000 . 2.300 2.285 1.970 2.473 0.173 9 0 "[ . 1 . 2 ]" 2
49 1 62 GLU O 1 66 ARG N 0.000 . 3.300 3.109 2.854 3.320 0.020 4 0 "[ . 1 . 2 ]" 2
50 1 62 GLU O 1 66 ARG H 0.000 . 2.300 2.283 1.929 2.402 0.102 3 0 "[ . 1 . 2 ]" 2
51 1 63 ALA O 1 67 ALA N 0.000 . 3.300 2.958 2.558 3.157 . 0 0 "[ . 1 . 2 ]" 2
52 1 63 ALA O 1 67 ALA H 0.000 . 2.300 2.033 1.581 2.342 0.042 2 0 "[ . 1 . 2 ]" 2
53 1 40 LEU N 1 76 ILE O 0.000 . 3.300 3.072 2.770 3.289 . 0 0 "[ . 1 . 2 ]" 2
54 1 40 LEU H 1 76 ILE O 0.000 . 2.300 2.244 2.020 2.424 0.124 15 0 "[ . 1 . 2 ]" 2
55 1 78 PHE O 1 82 VAL N 0.000 . 3.300 2.999 2.683 3.213 . 0 0 "[ . 1 . 2 ]" 2
56 1 78 PHE O 1 82 VAL H 0.000 . 2.300 2.065 1.754 2.316 0.016 3 0 "[ . 1 . 2 ]" 2
57 1 79 LEU O 1 83 ALA N 0.000 . 3.300 2.679 2.417 3.048 . 0 0 "[ . 1 . 2 ]" 2
58 1 79 LEU O 1 83 ALA H 0.000 . 2.300 1.754 1.472 2.073 . 0 0 "[ . 1 . 2 ]" 2
59 1 80 GLU O 1 84 ALA N 0.000 . 3.300 3.209 2.915 3.400 0.100 15 0 "[ . 1 . 2 ]" 2
60 1 80 GLU O 1 84 ALA H 0.000 . 2.300 2.316 2.048 2.463 0.163 15 0 "[ . 1 . 2 ]" 2
61 1 81 TYR O 1 85 LEU N 0.000 . 3.300 3.320 3.087 3.382 0.082 17 0 "[ . 1 . 2 ]" 2
62 1 81 TYR O 1 85 LEU H 0.000 . 2.300 2.396 2.105 2.454 0.154 7 0 "[ . 1 . 2 ]" 2
63 1 82 VAL O 1 86 ASN N 0.000 . 3.300 3.220 2.822 3.365 0.065 1 0 "[ . 1 . 2 ]" 2
64 1 82 VAL O 1 86 ASN H 0.000 . 2.300 2.299 1.870 2.458 0.158 1 0 "[ . 1 . 2 ]" 2
65 1 83 ALA O 1 87 LEU N 0.000 . 3.300 3.239 3.128 3.338 0.038 14 0 "[ . 1 . 2 ]" 2
66 1 83 ALA O 1 87 LEU H 0.000 . 2.300 2.351 2.320 2.450 0.150 3 0 "[ . 1 . 2 ]" 2
67 1 85 LEU O 1 89 LEU N 0.000 . 3.300 2.510 2.392 2.783 . 0 0 "[ . 1 . 2 ]" 2
68 1 85 LEU O 1 89 LEU H 0.000 . 2.300 1.959 1.521 2.334 0.034 3 0 "[ . 1 . 2 ]" 2
69 1 95 HIS O 1 99 TRP N 0.000 . 3.300 3.156 2.561 3.345 0.045 7 0 "[ . 1 . 2 ]" 2
70 1 95 HIS O 1 99 TRP H 0.000 . 2.300 2.208 1.581 2.390 0.090 22 0 "[ . 1 . 2 ]" 2
71 1 96 LYS O 1 100 THR N 0.000 . 3.300 2.859 2.442 3.264 . 0 0 "[ . 1 . 2 ]" 2
72 1 96 LYS O 1 100 THR H 0.000 . 2.300 1.934 1.542 2.326 0.026 19 0 "[ . 1 . 2 ]" 2
73 1 97 LEU O 1 101 PHE N 0.000 . 3.300 3.066 2.582 3.288 . 0 0 "[ . 1 . 2 ]" 2
74 1 97 LEU O 1 101 PHE H 0.000 . 2.300 2.148 1.695 2.340 0.040 1 0 "[ . 1 . 2 ]" 2
75 1 98 LYS O 1 102 LYS N 0.000 . 3.300 3.056 2.689 3.310 0.010 12 0 "[ . 1 . 2 ]" 2
76 1 98 LYS O 1 102 LYS H 0.000 . 2.300 2.264 1.966 2.398 0.098 12 0 "[ . 1 . 2 ]" 2
77 1 99 TRP O 1 103 ILE N 0.000 . 3.300 3.222 2.946 3.352 0.052 15 0 "[ . 1 . 2 ]" 2
78 1 99 TRP O 1 103 ILE H 0.000 . 2.300 2.310 2.058 2.472 0.172 14 0 "[ . 1 . 2 ]" 2
79 1 100 THR O 1 104 TYR N 0.000 . 3.300 3.306 3.242 3.368 0.068 15 0 "[ . 1 . 2 ]" 2
80 1 100 THR O 1 104 TYR H 0.000 . 2.300 2.353 2.294 2.401 0.101 1 0 "[ . 1 . 2 ]" 2
81 1 112 ILE O 1 165 LEU N 0.000 . 3.300 3.297 3.213 3.365 0.065 14 0 "[ . 1 . 2 ]" 2
82 1 112 ILE O 1 165 LEU H 0.000 . 2.300 2.373 2.321 2.469 0.169 14 0 "[ . 1 . 2 ]" 2
83 1 114 ARG O 1 118 LEU N 0.000 . 3.300 3.187 2.937 3.306 0.006 1 0 "[ . 1 . 2 ]" 2
84 1 114 ARG O 1 118 LEU H 0.000 . 2.300 2.262 1.975 2.386 0.086 12 0 "[ . 1 . 2 ]" 2
85 1 115 GLN O 1 119 ASP N 0.000 . 3.300 3.161 2.841 3.318 0.018 11 0 "[ . 1 . 2 ]" 2
86 1 115 GLN O 1 119 ASP H 0.000 . 2.300 2.319 1.982 2.390 0.090 8 0 "[ . 1 . 2 ]" 2
87 1 116 GLU O 1 120 ILE N 0.000 . 3.300 3.186 2.964 3.367 0.067 12 0 "[ . 1 . 2 ]" 2
88 1 116 GLU O 1 120 ILE H 0.000 . 2.300 2.302 2.116 2.430 0.130 15 0 "[ . 1 . 2 ]" 2
89 1 117 LEU O 1 121 VAL N 0.000 . 3.300 2.737 2.474 3.174 . 0 0 "[ . 1 . 2 ]" 2
90 1 117 LEU O 1 121 VAL H 0.000 . 2.300 1.885 1.523 2.344 0.044 11 0 "[ . 1 . 2 ]" 2
91 1 118 LEU O 1 122 GLU N 0.000 . 3.300 3.075 2.438 3.298 . 0 0 "[ . 1 . 2 ]" 2
92 1 118 LEU O 1 122 GLU H 0.000 . 2.300 2.213 1.560 2.415 0.115 21 0 "[ . 1 . 2 ]" 2
93 1 119 ASP O 1 123 SER N 0.000 . 3.300 3.243 3.108 3.358 0.058 2 0 "[ . 1 . 2 ]" 2
94 1 119 ASP O 1 123 SER H 0.000 . 2.300 2.392 2.219 2.458 0.158 2 0 "[ . 1 . 2 ]" 2
95 1 120 ILE O 1 124 ILE N 0.000 . 3.300 2.945 2.736 3.155 . 0 0 "[ . 1 . 2 ]" 2
96 1 120 ILE O 1 124 ILE H 0.000 . 2.300 2.032 1.833 2.240 . 0 0 "[ . 1 . 2 ]" 2
97 1 121 VAL O 1 125 TYR N 0.000 . 3.300 2.814 2.425 3.175 . 0 0 "[ . 1 . 2 ]" 2
98 1 121 VAL O 1 125 TYR H 0.000 . 2.300 1.882 1.474 2.221 . 0 0 "[ . 1 . 2 ]" 2
99 1 122 GLU O 1 126 LYS N 0.000 . 3.300 3.095 2.831 3.312 0.012 18 0 "[ . 1 . 2 ]" 2
100 1 122 GLU O 1 126 LYS H 0.000 . 2.300 2.181 1.895 2.336 0.036 18 0 "[ . 1 . 2 ]" 2
101 1 123 SER O 1 127 LEU N 0.000 . 3.300 3.217 2.852 3.325 0.025 9 0 "[ . 1 . 2 ]" 2
102 1 123 SER O 1 127 LEU H 0.000 . 2.300 2.296 2.037 2.418 0.118 3 0 "[ . 1 . 2 ]" 2
103 1 124 ILE O 1 128 LYS N 0.000 . 3.300 3.115 2.814 3.323 0.023 21 0 "[ . 1 . 2 ]" 2
104 1 124 ILE O 1 128 LYS H 0.000 . 2.300 2.176 1.867 2.391 0.091 21 0 "[ . 1 . 2 ]" 2
105 1 125 TYR O 1 129 LYS N 0.000 . 3.300 2.953 2.465 3.266 . 0 0 "[ . 1 . 2 ]" 2
106 1 125 TYR O 1 129 LYS H 0.000 . 2.300 2.109 1.694 2.329 0.029 4 0 "[ . 1 . 2 ]" 2
107 1 147 GLU O 1 151 ASP N 0.000 . 3.300 3.104 2.932 3.308 0.008 9 0 "[ . 1 . 2 ]" 2
108 1 147 GLU O 1 151 ASP H 0.000 . 2.300 2.254 2.027 2.355 0.055 9 0 "[ . 1 . 2 ]" 2
109 1 148 GLU O 1 152 ARG N 0.000 . 3.300 2.935 2.727 3.121 . 0 0 "[ . 1 . 2 ]" 2
110 1 148 GLU O 1 152 ARG H 0.000 . 2.300 2.201 2.005 2.361 0.061 18 0 "[ . 1 . 2 ]" 2
111 1 151 ASP O 1 155 LEU N 0.000 . 3.300 3.250 3.067 3.325 0.025 20 0 "[ . 1 . 2 ]" 2
112 1 151 ASP O 1 155 LEU H 0.000 . 2.300 2.347 2.302 2.390 0.090 16 0 "[ . 1 . 2 ]" 2
113 1 152 ARG O 1 156 LEU N 0.000 . 3.300 2.916 2.405 3.258 . 0 0 "[ . 1 . 2 ]" 2
114 1 152 ARG O 1 156 LEU H 0.000 . 2.300 2.025 1.509 2.353 0.053 12 0 "[ . 1 . 2 ]" 2
115 1 153 ILE O 1 157 VAL N 0.000 . 3.300 3.264 3.115 3.323 0.023 13 0 "[ . 1 . 2 ]" 2
116 1 153 ILE O 1 157 VAL H 0.000 . 2.300 2.337 2.280 2.375 0.075 16 0 "[ . 1 . 2 ]" 2
117 1 112 ILE N 1 165 LEU O 0.000 . 3.300 2.979 2.516 3.311 0.011 8 0 "[ . 1 . 2 ]" 2
118 1 112 ILE H 1 165 LEU O 0.000 . 2.300 2.081 1.541 2.346 0.046 8 0 "[ . 1 . 2 ]" 2
119 1 167 LEU O 1 171 VAL N 0.000 . 3.300 2.870 2.411 3.099 . 0 0 "[ . 1 . 2 ]" 2
120 1 167 LEU O 1 171 VAL H 0.000 . 2.300 1.985 1.489 2.218 . 0 0 "[ . 1 . 2 ]" 2
121 1 168 ASN O 1 172 GLU N 0.000 . 3.300 3.179 2.733 3.338 0.038 8 0 "[ . 1 . 2 ]" 2
122 1 168 ASN O 1 172 GLU H 0.000 . 2.300 2.274 1.834 2.398 0.098 8 0 "[ . 1 . 2 ]" 2
123 1 169 GLU O 1 173 GLY N 0.000 . 3.300 3.019 2.815 3.265 . 0 0 "[ . 1 . 2 ]" 2
124 1 169 GLU O 1 173 GLY H 0.000 . 2.300 2.317 2.200 2.366 0.066 9 0 "[ . 1 . 2 ]" 2
125 1 170 PHE O 1 174 ALA N 0.000 . 3.300 2.532 2.398 2.772 . 0 0 "[ . 1 . 2 ]" 2
126 1 170 PHE O 1 174 ALA H 0.000 . 2.300 1.751 1.452 2.181 . 0 0 "[ . 1 . 2 ]" 2
127 1 171 VAL O 1 175 ARG N 0.000 . 3.300 2.690 2.414 2.900 . 0 0 "[ . 1 . 2 ]" 2
128 1 171 VAL O 1 175 ARG H 0.000 . 2.300 1.894 1.519 2.330 0.030 1 0 "[ . 1 . 2 ]" 2
129 1 179 TRP O 1 183 MET N 0.000 . 3.300 3.159 2.763 3.341 0.041 4 0 "[ . 1 . 2 ]" 2
130 1 179 TRP O 1 183 MET H 0.000 . 2.300 2.226 1.864 2.385 0.085 15 0 "[ . 1 . 2 ]" 2
131 1 180 VAL O 1 184 LEU N 0.000 . 3.300 2.856 2.439 3.297 . 0 0 "[ . 1 . 2 ]" 2
132 1 180 VAL O 1 184 LEU H 0.000 . 2.300 1.978 1.519 2.329 0.029 2 0 "[ . 1 . 2 ]" 2
133 1 181 MET O 1 185 GLN N 0.000 . 3.300 2.826 2.403 3.259 . 0 0 "[ . 1 . 2 ]" 2
134 1 181 MET O 1 185 GLN H 0.000 . 2.300 1.977 1.501 2.342 0.042 15 0 "[ . 1 . 2 ]" 2
135 1 182 LYS O 1 186 MET N 0.000 . 3.300 2.917 2.447 3.270 . 0 0 "[ . 1 . 2 ]" 2
136 1 182 LYS O 1 186 MET H 0.000 . 2.300 2.328 2.083 2.436 0.136 22 0 "[ . 1 . 2 ]" 2
stop_
save_
Contact the webmaster for help, if required. Monday, May 20, 2024 1:25:37 AM GMT (wattos1)