NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
388618 |
1n6v   |
5049 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1n6v
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 1815
_Distance_constraint_stats_list.Viol_count 369
_Distance_constraint_stats_list.Viol_total 26.236
_Distance_constraint_stats_list.Viol_max 0.342
_Distance_constraint_stats_list.Viol_rms 0.0399
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.0711
_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 PRO 0.000 0.000 . 0 "[ ]"
1 6 ASP 0.000 0.000 . 0 "[ ]"
1 7 TYR 0.000 0.000 . 0 "[ ]"
1 8 THR 0.000 0.000 . 0 "[ ]"
1 9 ASP 0.007 0.007 1 0 "[ ]"
1 10 GLU 0.007 0.007 1 0 "[ ]"
1 11 SER 0.154 0.154 1 0 "[ ]"
1 12 CYS 0.623 0.266 1 0 "[ ]"
1 13 THR 0.519 0.266 1 0 "[ ]"
1 14 PHE 0.594 0.263 1 0 "[ ]"
1 15 LYS 0.224 0.173 1 0 "[ ]"
1 16 ILE 0.857 0.217 1 0 "[ ]"
1 17 SER 0.526 0.173 1 0 "[ ]"
1 18 LEU 0.389 0.100 1 0 "[ ]"
1 19 ARG 0.002 0.002 1 0 "[ ]"
1 20 ASN 0.116 0.116 1 0 "[ ]"
1 21 PHE 0.105 0.100 1 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 SER 0.408 0.099 1 0 "[ ]"
1 24 ILE 0.526 0.167 1 0 "[ ]"
1 25 LEU 0.725 0.192 1 0 "[ ]"
1 26 SER 0.481 0.217 1 0 "[ ]"
1 27 TRP 1.127 0.198 1 0 "[ ]"
1 28 GLU 0.353 0.260 1 0 "[ ]"
1 29 LEU 0.714 0.163 1 0 "[ ]"
1 30 LYS 0.260 0.260 1 0 "[ ]"
1 31 ASN 0.000 0.000 . 0 "[ ]"
1 33 SER 0.000 0.000 . 0 "[ ]"
1 34 ILE 0.000 0.000 . 0 "[ ]"
1 35 VAL 0.000 0.000 . 0 "[ ]"
1 36 PRO 0.036 0.031 1 0 "[ ]"
1 37 THR 0.056 0.031 1 0 "[ ]"
1 38 HIS 0.860 0.342 1 0 "[ ]"
1 39 TYR 0.681 0.148 1 0 "[ ]"
1 40 THR 0.519 0.163 1 0 "[ ]"
1 41 LEU 0.086 0.070 1 0 "[ ]"
1 42 LEU 0.885 0.277 1 0 "[ ]"
1 43 TYR 0.932 0.184 1 0 "[ ]"
1 44 THR 0.236 0.133 1 0 "[ ]"
1 45 ILE 0.382 0.177 1 0 "[ ]"
1 46 MET 0.145 0.087 1 0 "[ ]"
1 47 SER 0.000 0.000 . 0 "[ ]"
1 48 LYS 0.075 0.027 1 0 "[ ]"
1 49 PRO 0.228 0.193 1 0 "[ ]"
1 50 GLU 0.259 0.193 1 0 "[ ]"
1 51 ASP 0.106 0.034 1 0 "[ ]"
1 52 LEU 0.156 0.077 1 0 "[ ]"
1 53 LYS 0.310 0.107 1 0 "[ ]"
1 54 VAL 0.224 0.110 1 0 "[ ]"
1 55 VAL 0.259 0.107 1 0 "[ ]"
1 57 ASN 0.000 0.000 . 0 "[ ]"
1 58 CYS 0.035 0.023 1 0 "[ ]"
1 59 ALA 0.229 0.108 1 0 "[ ]"
1 60 ASN 0.478 0.342 1 0 "[ ]"
1 61 THR 0.393 0.148 1 0 "[ ]"
1 62 THR 0.638 0.282 1 0 "[ ]"
1 63 ARG 0.486 0.282 1 0 "[ ]"
1 64 SER 0.282 0.104 1 0 "[ ]"
1 65 PHE 0.050 0.033 1 0 "[ ]"
1 66 CYS 0.000 0.000 . 0 "[ ]"
1 67 ASP 0.134 0.077 1 0 "[ ]"
1 68 LEU 0.368 0.167 1 0 "[ ]"
1 69 THR 0.181 0.099 1 0 "[ ]"
1 70 ASP 0.000 0.000 . 0 "[ ]"
1 71 GLU 0.004 0.004 1 0 "[ ]"
1 72 TRP 0.526 0.208 1 0 "[ ]"
1 73 ARG 0.000 0.000 . 0 "[ ]"
1 74 SER 0.053 0.022 1 0 "[ ]"
1 75 THR 0.004 0.004 1 0 "[ ]"
1 76 HIS 0.000 0.000 . 0 "[ ]"
1 77 GLU 0.483 0.177 1 0 "[ ]"
1 78 ALA 0.307 0.091 1 0 "[ ]"
1 79 TYR 0.911 0.208 1 0 "[ ]"
1 80 VAL 0.348 0.133 1 0 "[ ]"
1 81 THR 0.907 0.185 1 0 "[ ]"
1 82 VAL 0.290 0.116 1 0 "[ ]"
1 83 LEU 1.213 0.277 1 0 "[ ]"
1 84 GLU 0.592 0.197 1 0 "[ ]"
1 85 GLY 0.062 0.062 1 0 "[ ]"
1 86 PHE 0.273 0.139 1 0 "[ ]"
1 87 SER 0.256 0.170 1 0 "[ ]"
1 89 ASN 0.000 0.000 . 0 "[ ]"
1 90 THR 0.225 0.139 1 0 "[ ]"
1 91 THR 0.462 0.209 1 0 "[ ]"
1 92 LEU 0.422 0.209 1 0 "[ ]"
1 93 PHE 0.506 0.170 1 0 "[ ]"
1 94 SER 0.432 0.197 1 0 "[ ]"
1 95 CYS 0.093 0.093 1 0 "[ ]"
1 96 SER 0.008 0.008 1 0 "[ ]"
1 97 HIS 0.002 0.002 1 0 "[ ]"
1 98 ASN 0.020 0.020 1 0 "[ ]"
1 99 PHE 0.273 0.101 1 0 "[ ]"
1 100 TRP 0.085 0.057 1 0 "[ ]"
1 101 LEU 0.276 0.090 1 0 "[ ]"
1 102 ALA 0.098 0.098 1 0 "[ ]"
1 103 ILE 0.067 0.057 1 0 "[ ]"
1 104 ASP 0.105 0.090 1 0 "[ ]"
1 105 MET 0.026 0.020 1 0 "[ ]"
1 106 SER 0.075 0.075 1 0 "[ ]"
1 107 PHE 0.051 0.029 1 0 "[ ]"
1 108 GLU 0.033 0.033 1 0 "[ ]"
1 110 PRO 0.043 0.043 1 0 "[ ]"
1 111 GLU 0.166 0.130 1 0 "[ ]"
1 112 PHE 0.325 0.086 1 0 "[ ]"
1 113 GLU 0.696 0.190 1 0 "[ ]"
1 114 ILE 0.893 0.187 1 0 "[ ]"
1 115 VAL 0.289 0.190 1 0 "[ ]"
1 116 GLY 0.199 0.118 1 0 "[ ]"
1 117 PHE 0.017 0.017 1 0 "[ ]"
1 118 THR 0.744 0.199 1 0 "[ ]"
1 119 ASN 0.027 0.023 1 0 "[ ]"
1 120 HIS 0.233 0.157 1 0 "[ ]"
1 121 ILE 0.522 0.153 1 0 "[ ]"
1 122 ASN 0.046 0.036 1 0 "[ ]"
1 123 VAL 0.136 0.081 1 0 "[ ]"
1 124 MET 0.856 0.161 1 0 "[ ]"
1 125 VAL 0.568 0.119 1 0 "[ ]"
1 126 LYS 0.511 0.130 1 0 "[ ]"
1 127 PHE 0.307 0.116 1 0 "[ ]"
1 128 PRO 0.060 0.039 1 0 "[ ]"
1 129 SER 0.077 0.077 1 0 "[ ]"
1 130 ILE 0.092 0.052 1 0 "[ ]"
1 131 VAL 0.000 0.000 . 0 "[ ]"
1 132 GLU 0.421 0.159 1 0 "[ ]"
1 133 GLU 0.202 0.159 1 0 "[ ]"
1 134 GLU 0.000 0.000 . 0 "[ ]"
1 135 LEU 0.251 0.085 1 0 "[ ]"
1 136 GLN 0.041 0.021 1 0 "[ ]"
1 137 PHE 0.200 0.085 1 0 "[ ]"
1 139 LEU 0.291 0.135 1 0 "[ ]"
1 140 SER 0.268 0.211 1 0 "[ ]"
1 141 LEU 0.118 0.060 1 0 "[ ]"
1 142 VAL 0.335 0.204 1 0 "[ ]"
1 143 ILE 0.954 0.211 1 0 "[ ]"
1 144 GLU 0.501 0.138 1 0 "[ ]"
1 145 GLU 0.152 0.090 1 0 "[ ]"
1 146 GLN 0.233 0.170 1 0 "[ ]"
1 147 SER 0.485 0.170 1 0 "[ ]"
1 148 GLU 0.057 0.046 1 0 "[ ]"
1 149 GLY 0.000 0.000 . 0 "[ ]"
1 150 ILE 0.233 0.121 1 0 "[ ]"
1 151 VAL 0.057 0.042 1 0 "[ ]"
1 152 LYS 0.039 0.039 1 0 "[ ]"
1 153 LYS 0.181 0.138 1 0 "[ ]"
1 154 HIS 0.132 0.086 1 0 "[ ]"
1 155 LYS 0.078 0.045 1 0 "[ ]"
1 156 PRO 0.304 0.132 1 0 "[ ]"
1 157 GLU 0.000 0.000 . 0 "[ ]"
1 158 ILE 0.662 0.204 1 0 "[ ]"
1 159 LYS 0.000 0.000 . 0 "[ ]"
1 160 GLY 0.000 0.000 . 0 "[ ]"
1 161 ASN 0.123 0.123 1 0 "[ ]"
1 162 MET 0.334 0.135 1 0 "[ ]"
1 163 SER 0.000 0.000 . 0 "[ ]"
1 164 GLY 0.077 0.077 1 0 "[ ]"
1 165 ASN 0.181 0.098 1 0 "[ ]"
1 166 PHE 0.291 0.101 1 0 "[ ]"
1 167 THR 0.567 0.161 1 0 "[ ]"
1 168 TYR 0.236 0.057 1 0 "[ ]"
1 169 ILE 0.253 0.157 1 0 "[ ]"
1 170 ILE 0.397 0.230 1 0 "[ ]"
1 171 ASP 0.326 0.230 1 0 "[ ]"
1 172 LYS 0.022 0.022 1 0 "[ ]"
1 173 LEU 0.006 0.005 1 0 "[ ]"
1 174 ILE 0.023 0.023 1 0 "[ ]"
1 175 PRO 0.000 0.000 . 0 "[ ]"
1 176 ASN 0.118 0.094 1 0 "[ ]"
1 177 THR 0.391 0.157 1 0 "[ ]"
1 178 ASN 0.352 0.148 1 0 "[ ]"
1 179 TYR 0.538 0.153 1 0 "[ ]"
1 180 CYS 0.299 0.135 1 0 "[ ]"
1 181 VAL 0.295 0.120 1 0 "[ ]"
1 182 SER 0.068 0.043 1 0 "[ ]"
1 183 VAL 0.874 0.197 1 0 "[ ]"
1 184 TYR 0.641 0.197 1 0 "[ ]"
1 185 LEU 0.016 0.016 1 0 "[ ]"
1 186 GLU 0.051 0.034 1 0 "[ ]"
1 189 ASP 0.032 0.032 1 0 "[ ]"
1 190 GLU 0.042 0.042 1 0 "[ ]"
1 191 GLN 0.000 0.000 . 0 "[ ]"
1 192 ALA 0.082 0.034 1 0 "[ ]"
1 193 VAL 0.311 0.168 1 0 "[ ]"
1 194 ILE 0.168 0.168 1 0 "[ ]"
1 195 LYS 0.196 0.058 1 0 "[ ]"
1 196 SER 0.233 0.056 1 0 "[ ]"
1 197 PRO 0.101 0.052 1 0 "[ ]"
1 198 LEU 0.718 0.266 1 0 "[ ]"
1 199 LYS 0.478 0.266 1 0 "[ ]"
1 200 CYS 0.114 0.096 1 0 "[ ]"
1 201 THR 0.192 0.155 1 0 "[ ]"
1 202 LEU 0.729 0.157 1 0 "[ ]"
1 203 LEU 0.437 0.260 1 0 "[ ]"
1 204 PRO 0.475 0.199 1 0 "[ ]"
1 205 PRO 0.471 0.260 1 0 "[ ]"
1 206 GLY 0.292 0.154 1 0 "[ ]"
1 207 GLN 0.000 0.000 . 0 "[ ]"
1 209 SER 0.000 0.000 . 0 "[ ]"
1 210 GLU 0.000 0.000 . 0 "[ ]"
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 5 PRO QB 1 6 ASP H 4.500 . 5.850 3.045 3.045 3.045 . 0 0 "[ ]" 1
2 1 5 PRO HA 1 6 ASP H 2.800 . 3.640 2.212 2.212 2.212 . 0 0 "[ ]" 1
3 1 6 ASP HA 1 7 TYR H 2.700 . 3.510 2.213 2.213 2.213 . 0 0 "[ ]" 1
4 1 6 ASP QB 1 7 TYR H 4.400 . 5.720 3.759 3.759 3.759 . 0 0 "[ ]" 1
5 1 8 THR HB 1 9 ASP H 3.600 . 4.680 4.342 4.342 4.342 . 0 0 "[ ]" 1
6 1 8 THR HA 1 9 ASP H 3.200 . 4.160 2.657 2.657 2.657 . 0 0 "[ ]" 1
7 1 9 ASP HA 1 10 GLU H 2.400 . 3.120 3.127 3.127 3.127 0.007 1 0 "[ ]" 1
8 1 9 ASP HB2 1 10 GLU H 3.700 . 4.810 4.426 4.426 4.426 . 0 0 "[ ]" 1
9 1 9 ASP HB3 1 10 GLU H 3.700 . 4.810 4.502 4.502 4.502 . 0 0 "[ ]" 1
10 1 10 GLU HA 1 11 SER H 4.000 . 5.200 2.513 2.513 2.513 . 0 0 "[ ]" 1
11 1 11 SER HA 1 12 CYS H 2.500 . 3.250 3.404 3.404 3.404 0.154 1 0 "[ ]" 1
12 1 11 SER HB3 1 12 CYS H 3.200 . 4.160 3.254 3.254 3.254 . 0 0 "[ ]" 1
13 1 10 GLU QB 1 12 CYS H 3.700 . 4.810 3.778 3.778 3.778 . 0 0 "[ ]" 1
14 1 10 GLU HA 1 12 CYS H 2.900 . 3.770 3.111 3.111 3.111 . 0 0 "[ ]" 1
15 1 12 CYS HA 1 13 THR H 2.400 . 3.120 2.833 2.833 2.833 . 0 0 "[ ]" 1
16 1 11 SER HA 1 13 THR H 3.600 . 4.680 4.305 4.305 4.305 . 0 0 "[ ]" 1
17 1 12 CYS HB2 1 13 THR H 3.100 . 4.030 4.153 4.153 4.153 0.123 1 0 "[ ]" 1
18 1 12 CYS HB3 1 13 THR H 3.000 . 3.900 4.166 4.166 4.166 0.266 1 0 "[ ]" 1
19 1 12 CYS H 1 13 THR H 3.700 . 4.810 2.949 2.949 2.949 . 0 0 "[ ]" 1
20 1 13 THR H 1 28 GLU QG 4.200 . 5.460 4.591 4.591 4.591 . 0 0 "[ ]" 1
21 1 13 THR H 1 28 GLU QB 4.200 . 5.460 2.737 2.737 2.737 . 0 0 "[ ]" 1
22 1 13 THR H 1 29 LEU QD 4.600 . 5.980 3.916 3.916 3.916 . 0 0 "[ ]" 1
23 1 13 THR MG 1 14 PHE H 3.300 . 4.290 2.762 2.762 2.762 . 0 0 "[ ]" 1
24 1 13 THR HA 1 14 PHE H 2.300 . 2.990 2.140 2.140 2.140 . 0 0 "[ ]" 1
25 1 13 THR HB 1 14 PHE H 3.100 . 4.030 4.102 4.102 4.102 0.072 1 0 "[ ]" 1
26 1 14 PHE HA 1 15 LYS H 2.800 . 3.640 2.254 2.254 2.254 . 0 0 "[ ]" 1
27 1 14 PHE HB3 1 15 LYS H 3.200 . 4.160 2.897 2.897 2.897 . 0 0 "[ ]" 1
28 1 14 PHE HB2 1 15 LYS H 3.200 . 4.160 3.469 3.469 3.469 . 0 0 "[ ]" 1
29 1 15 LYS HA 1 16 ILE H 2.300 . 2.990 2.222 2.222 2.222 . 0 0 "[ ]" 1
30 1 15 LYS HB2 1 16 ILE H 3.300 . 4.290 3.927 3.927 3.927 . 0 0 "[ ]" 1
31 1 15 LYS HB3 1 16 ILE H 3.300 . 4.290 4.050 4.050 4.050 . 0 0 "[ ]" 1
32 1 17 SER H 1 25 LEU HA 2.900 . 3.770 3.254 3.254 3.254 . 0 0 "[ ]" 1
33 1 17 SER H 1 25 LEU HB2 3.900 . 5.070 5.197 5.197 5.197 0.127 1 0 "[ ]" 1
34 1 16 ILE MG 1 17 SER H 3.600 . 4.680 3.393 3.393 3.393 . 0 0 "[ ]" 1
35 1 16 ILE HA 1 17 SER H 2.400 . 3.120 2.174 2.174 2.174 . 0 0 "[ ]" 1
36 1 16 ILE HB 1 17 SER H 3.200 . 4.160 4.227 4.227 4.227 0.067 1 0 "[ ]" 1
37 1 17 SER H 1 25 LEU HB3 3.700 . 4.810 4.647 4.647 4.647 . 0 0 "[ ]" 1
38 1 17 SER HA 1 18 LEU H 2.500 . 3.250 2.219 2.219 2.219 . 0 0 "[ ]" 1
39 1 17 SER HB2 1 18 LEU H 3.300 . 4.290 4.331 4.331 4.331 0.041 1 0 "[ ]" 1
40 1 17 SER HB3 1 18 LEU H 3.300 . 4.290 3.287 3.287 3.287 . 0 0 "[ ]" 1
41 1 18 LEU H 1 107 PHE HA 3.000 . 3.900 3.341 3.341 3.341 . 0 0 "[ ]" 1
42 1 18 LEU H 1 108 GLU H 3.300 . 4.290 4.323 4.323 4.323 0.033 1 0 "[ ]" 1
43 1 19 ARG H 1 22 ARG QB 4.000 . 5.200 3.089 3.089 3.089 . 0 0 "[ ]" 1
44 1 18 LEU HG 1 19 ARG H 3.300 . 4.290 4.147 4.147 4.147 . 0 0 "[ ]" 1
45 1 18 LEU HA 1 19 ARG H 2.700 . 3.510 2.164 2.164 2.164 . 0 0 "[ ]" 1
46 1 19 ARG H 1 23 SER HA 3.100 . 4.030 4.032 4.032 4.032 0.002 1 0 "[ ]" 1
47 1 18 LEU QD 1 19 ARG H 3.700 . 4.810 3.218 3.218 3.218 . 0 0 "[ ]" 1
48 1 20 ASN HA 1 21 PHE H 2.900 . 3.770 2.668 2.668 2.668 . 0 0 "[ ]" 1
49 1 21 PHE H 1 22 ARG QB 4.400 . 5.720 4.900 4.900 4.900 . 0 0 "[ ]" 1
50 1 21 PHE QB 1 22 ARG H 4.000 . 5.200 4.094 4.094 4.094 . 0 0 "[ ]" 1
51 1 19 ARG H 1 22 ARG H 3.100 . 4.030 2.840 2.840 2.840 . 0 0 "[ ]" 1
52 1 21 PHE H 1 22 ARG H 2.900 . 3.770 2.741 2.741 2.741 . 0 0 "[ ]" 1
53 1 20 ASN HA 1 22 ARG H 3.900 . 5.070 4.495 4.495 4.495 . 0 0 "[ ]" 1
54 1 21 PHE HA 1 22 ARG H 3.000 . 3.900 2.803 2.803 2.803 . 0 0 "[ ]" 1
55 1 23 SER H 1 69 THR HB 3.800 . 4.940 4.844 4.844 4.844 . 0 0 "[ ]" 1
56 1 22 ARG HA 1 23 SER H 2.800 . 3.640 2.246 2.246 2.246 . 0 0 "[ ]" 1
57 1 23 SER H 1 69 THR MG 3.800 . 4.940 3.098 3.098 3.098 . 0 0 "[ ]" 1
58 1 23 SER H 1 68 LEU QB 4.200 . 5.460 4.865 4.865 4.865 . 0 0 "[ ]" 1
59 1 23 SER H 1 68 LEU HG 3.800 . 4.940 4.045 4.045 4.045 . 0 0 "[ ]" 1
60 1 17 SER H 1 24 ILE H 3.700 . 4.810 2.922 2.922 2.922 . 0 0 "[ ]" 1
61 1 18 LEU HA 1 24 ILE H 3.200 . 4.160 3.808 3.808 3.808 . 0 0 "[ ]" 1
62 1 23 SER HA 1 24 ILE H 2.500 . 3.250 2.158 2.158 2.158 . 0 0 "[ ]" 1
63 1 23 SER HB2 1 24 ILE H 3.600 . 4.680 4.247 4.247 4.247 . 0 0 "[ ]" 1
64 1 23 SER HB3 1 24 ILE H 3.800 . 4.940 3.689 3.689 3.689 . 0 0 "[ ]" 1
65 1 25 LEU H 1 67 ASP HA 3.600 . 4.680 3.020 3.020 3.020 . 0 0 "[ ]" 1
66 1 24 ILE HA 1 25 LEU H 2.700 . 3.510 2.168 2.168 2.168 . 0 0 "[ ]" 1
67 1 24 ILE MG 1 25 LEU H 3.200 . 4.160 2.766 2.766 2.766 . 0 0 "[ ]" 1
68 1 15 LYS H 1 26 SER H 3.200 . 4.160 2.807 2.807 2.807 . 0 0 "[ ]" 1
69 1 16 ILE HA 1 26 SER H 3.200 . 4.160 3.208 3.208 3.208 . 0 0 "[ ]" 1
70 1 25 LEU HA 1 26 SER H 2.500 . 3.250 2.147 2.147 2.147 . 0 0 "[ ]" 1
71 1 25 LEU HB3 1 26 SER H 3.400 . 4.420 4.049 4.049 4.049 . 0 0 "[ ]" 1
72 1 25 LEU HB2 1 26 SER H 3.400 . 4.420 2.916 2.916 2.916 . 0 0 "[ ]" 1
73 1 16 ILE HB 1 26 SER H 3.800 . 4.940 4.726 4.726 4.726 . 0 0 "[ ]" 1
74 1 25 LEU QD 1 26 SER H 3.100 . 4.030 3.371 3.371 3.371 . 0 0 "[ ]" 1
75 1 16 ILE MD 1 26 SER H 3.800 . 4.940 5.157 5.157 5.157 0.217 1 0 "[ ]" 1
76 1 25 LEU HG 1 26 SER H 3.900 . 5.070 4.391 4.391 4.391 . 0 0 "[ ]" 1
77 1 26 SER HA 1 27 TRP H 2.400 . 3.120 2.567 2.567 2.567 . 0 0 "[ ]" 1
78 1 26 SER HB2 1 27 TRP H 2.900 . 3.770 2.618 2.618 2.618 . 0 0 "[ ]" 1
79 1 26 SER HB3 1 27 TRP H 2.700 . 3.510 3.664 3.664 3.664 0.154 1 0 "[ ]" 1
80 1 27 TRP H 1 65 PHE HA 3.000 . 3.900 3.351 3.351 3.351 . 0 0 "[ ]" 1
81 1 27 TRP HE1 1 39 TYR QD 2.800 . 3.640 3.114 3.114 3.114 . 0 0 "[ ]" 1
82 1 27 TRP HE1 1 39 TYR QE 2.800 . 3.640 2.792 2.792 2.792 . 0 0 "[ ]" 1
83 1 27 TRP HE1 1 83 LEU QD 3.900 . 5.070 3.769 3.769 3.769 . 0 0 "[ ]" 1
84 1 27 TRP HE1 1 64 SER HA 2.500 . 3.250 2.288 2.288 2.288 . 0 0 "[ ]" 1
85 1 27 TRP HE1 1 64 SER QB 3.000 . 3.900 2.362 2.362 2.362 . 0 0 "[ ]" 1
86 1 13 THR HB 1 28 GLU H 3.400 . 4.420 3.983 3.983 3.983 . 0 0 "[ ]" 1
87 1 27 TRP HD1 1 28 GLU H 3.700 . 4.810 3.747 3.747 3.747 . 0 0 "[ ]" 1
88 1 27 TRP HA 1 28 GLU H 2.400 . 3.120 2.266 2.266 2.266 . 0 0 "[ ]" 1
89 1 14 PHE HA 1 28 GLU H 3.600 . 4.680 3.252 3.252 3.252 . 0 0 "[ ]" 1
90 1 12 CYS HA 1 28 GLU H 3.400 . 4.420 4.062 4.062 4.062 . 0 0 "[ ]" 1
91 1 27 TRP HB3 1 28 GLU H 2.900 . 3.770 3.758 3.758 3.758 . 0 0 "[ ]" 1
92 1 27 TRP HB2 1 28 GLU H 2.800 . 3.640 2.526 2.526 2.526 . 0 0 "[ ]" 1
93 1 13 THR MG 1 28 GLU H 4.500 . 5.850 4.696 4.696 4.696 . 0 0 "[ ]" 1
94 1 13 THR H 1 28 GLU H 3.100 . 4.030 3.174 3.174 3.174 . 0 0 "[ ]" 1
95 1 28 GLU QG 1 29 LEU H 3.600 . 4.680 4.261 4.261 4.261 . 0 0 "[ ]" 1
96 1 28 GLU H 1 29 LEU H 3.800 . 4.940 3.507 3.507 3.507 . 0 0 "[ ]" 1
97 1 28 GLU HA 1 29 LEU H 2.300 . 2.990 2.301 2.301 2.301 . 0 0 "[ ]" 1
98 1 28 GLU QB 1 29 LEU H 3.300 . 4.290 3.957 3.957 3.957 . 0 0 "[ ]" 1
99 1 28 GLU HA 1 30 LYS H 3.600 . 4.680 4.940 4.940 4.940 0.260 1 0 "[ ]" 1
100 1 29 LEU MD1 1 30 LYS H 3.900 . 5.070 4.576 4.576 4.576 . 0 0 "[ ]" 1
101 1 29 LEU MD2 1 30 LYS H 3.700 . 4.810 4.702 4.702 4.702 . 0 0 "[ ]" 1
102 1 30 LYS HA 1 31 ASN H 4.000 . 5.200 2.335 2.335 2.335 . 0 0 "[ ]" 1
103 1 33 SER HA 1 34 ILE H 3.100 . 4.030 3.566 3.566 3.566 . 0 0 "[ ]" 1
104 1 33 SER HB3 1 34 ILE H 3.200 . 4.160 2.863 2.863 2.863 . 0 0 "[ ]" 1
105 1 34 ILE HA 1 35 VAL H 2.500 . 3.250 2.290 2.290 2.290 . 0 0 "[ ]" 1
106 1 34 ILE HB 1 35 VAL H 3.400 . 4.420 3.649 3.649 3.649 . 0 0 "[ ]" 1
107 1 34 ILE QG 1 35 VAL H 4.100 . 5.330 4.223 4.223 4.223 . 0 0 "[ ]" 1
108 1 36 PRO HA 1 37 THR H 2.900 . 3.770 2.176 2.176 2.176 . 0 0 "[ ]" 1
109 1 36 PRO QD 1 37 THR H 3.800 . 4.940 4.971 4.971 4.971 0.031 1 0 "[ ]" 1
110 1 36 PRO QB 1 37 THR H 4.000 . 5.200 3.255 3.255 3.255 . 0 0 "[ ]" 1
111 1 37 THR HA 1 38 HIS H 3.300 . 4.290 3.574 3.574 3.574 . 0 0 "[ ]" 1
112 1 38 HIS H 1 86 PHE QB 4.200 . 5.460 5.472 5.472 5.472 0.012 1 0 "[ ]" 1
113 1 37 THR H 1 38 HIS H 2.500 . 3.250 2.349 2.349 2.349 . 0 0 "[ ]" 1
114 1 37 THR HB 1 38 HIS H 2.800 . 3.640 3.666 3.666 3.666 0.026 1 0 "[ ]" 1
115 1 37 THR MG 1 38 HIS H 3.900 . 5.070 1.803 1.803 1.803 . 0 0 "[ ]" 1
116 1 38 HIS H 1 62 THR HA 3.400 . 4.420 4.134 4.134 4.134 . 0 0 "[ ]" 1
117 1 38 HIS H 1 62 THR HB 3.400 . 4.420 3.989 3.989 3.989 . 0 0 "[ ]" 1
118 1 38 HIS H 1 62 THR MG 3.300 . 4.290 3.927 3.927 3.927 . 0 0 "[ ]" 1
119 1 38 HIS HA 1 39 TYR H 2.700 . 3.510 2.168 2.168 2.168 . 0 0 "[ ]" 1
120 1 39 TYR H 1 60 ASN HA 3.700 . 4.810 3.051 3.051 3.051 . 0 0 "[ ]" 1
121 1 38 HIS HB3 1 39 TYR H 3.000 . 3.900 4.002 4.002 4.002 0.102 1 0 "[ ]" 1
122 1 38 HIS HB2 1 39 TYR H 3.000 . 3.900 2.805 2.805 2.805 . 0 0 "[ ]" 1
123 1 39 TYR HA 1 40 THR H 2.700 . 3.510 2.529 2.529 2.529 . 0 0 "[ ]" 1
124 1 39 TYR HB2 1 40 THR H 3.200 . 4.160 3.285 3.285 3.285 . 0 0 "[ ]" 1
125 1 39 TYR HB3 1 40 THR H 3.200 . 4.160 2.221 2.221 2.221 . 0 0 "[ ]" 1
126 1 40 THR H 1 83 LEU QD 3.900 . 5.070 2.242 2.242 2.242 . 0 0 "[ ]" 1
127 1 40 THR H 1 84 GLU QB 4.000 . 5.200 4.358 4.358 4.358 . 0 0 "[ ]" 1
128 1 40 THR HA 1 41 LEU H 2.700 . 3.510 2.105 2.105 2.105 . 0 0 "[ ]" 1
129 1 40 THR HB 1 41 LEU H 3.400 . 4.420 4.490 4.490 4.490 0.070 1 0 "[ ]" 1
130 1 40 THR MG 1 41 LEU H 3.500 . 4.550 3.269 3.269 3.269 . 0 0 "[ ]" 1
131 1 41 LEU H 1 58 CYS HB3 4.000 . 5.200 2.786 2.786 2.786 . 0 0 "[ ]" 1
132 1 41 LEU H 1 58 CYS HB2 4.000 . 5.200 3.648 3.648 3.648 . 0 0 "[ ]" 1
133 1 41 LEU H 1 59 ALA HA 3.700 . 4.810 3.137 3.137 3.137 . 0 0 "[ ]" 1
134 1 41 LEU HB2 1 42 LEU H 3.800 . 4.940 4.594 4.594 4.594 . 0 0 "[ ]" 1
135 1 42 LEU H 1 81 THR MG 3.900 . 5.070 3.638 3.638 3.638 . 0 0 "[ ]" 1
136 1 41 LEU HA 1 42 LEU H 2.700 . 3.510 2.204 2.204 2.204 . 0 0 "[ ]" 1
137 1 42 LEU H 1 83 LEU HA 3.600 . 4.680 2.060 2.060 2.060 . 0 0 "[ ]" 1
138 1 42 LEU H 1 82 VAL HB 3.400 . 4.420 4.491 4.491 4.491 0.071 1 0 "[ ]" 1
139 1 41 LEU QB 1 42 LEU H 4.000 . 5.200 3.923 3.923 3.923 . 0 0 "[ ]" 1
140 1 42 LEU H 1 83 LEU HG 3.700 . 4.810 5.087 5.087 5.087 0.277 1 0 "[ ]" 1
141 1 43 TYR H 1 54 VAL HA 3.700 . 4.810 4.063 4.063 4.063 . 0 0 "[ ]" 1
142 1 43 TYR H 1 54 VAL QG 3.600 . 4.680 4.790 4.790 4.790 0.110 1 0 "[ ]" 1
143 1 42 LEU QD 1 43 TYR H 3.400 . 4.420 4.100 4.100 4.100 . 0 0 "[ ]" 1
144 1 42 LEU HA 1 43 TYR H 2.700 . 3.510 2.226 2.226 2.226 . 0 0 "[ ]" 1
145 1 42 LEU QB 1 43 TYR H 3.000 . 3.900 3.020 3.020 3.020 . 0 0 "[ ]" 1
146 1 43 TYR H 1 81 THR MG 3.600 . 4.680 3.753 3.753 3.753 . 0 0 "[ ]" 1
147 1 43 TYR HA 1 44 THR H 2.800 . 3.640 2.315 2.315 2.315 . 0 0 "[ ]" 1
148 1 44 THR H 1 81 THR HA 3.400 . 4.420 2.819 2.819 2.819 . 0 0 "[ ]" 1
149 1 43 TYR HB3 1 44 THR H 3.200 . 4.160 3.975 3.975 3.975 . 0 0 "[ ]" 1
150 1 43 TYR HB2 1 44 THR H 3.100 . 4.030 2.641 2.641 2.641 . 0 0 "[ ]" 1
151 1 44 THR H 1 79 TYR HA 3.900 . 5.070 4.346 4.346 4.346 . 0 0 "[ ]" 1
152 1 44 THR H 1 80 VAL HB 3.300 . 4.290 4.423 4.423 4.423 0.133 1 0 "[ ]" 1
153 1 44 THR H 1 80 VAL QG 3.800 . 4.940 3.185 3.185 3.185 . 0 0 "[ ]" 1
154 1 44 THR HB 1 45 ILE H 3.300 . 4.290 3.498 3.498 3.498 . 0 0 "[ ]" 1
155 1 44 THR MG 1 45 ILE H 3.000 . 3.900 2.876 2.876 2.876 . 0 0 "[ ]" 1
156 1 44 THR HA 1 45 ILE H 2.700 . 3.510 2.684 2.684 2.684 . 0 0 "[ ]" 1
157 1 45 ILE H 1 52 LEU HG 3.800 . 4.940 5.017 5.017 5.017 0.077 1 0 "[ ]" 1
158 1 45 ILE HA 1 46 MET H 2.700 . 3.510 2.098 2.098 2.098 . 0 0 "[ ]" 1
159 1 45 ILE MG 1 46 MET H 3.400 . 4.420 3.140 3.140 3.140 . 0 0 "[ ]" 1
160 1 46 MET H 1 78 ALA MB 3.700 . 4.810 3.381 3.381 3.381 . 0 0 "[ ]" 1
161 1 46 MET H 1 47 SER H 3.800 . 4.940 3.194 3.194 3.194 . 0 0 "[ ]" 1
162 1 45 ILE MG 1 47 SER H 4.100 . 5.330 4.009 4.009 4.009 . 0 0 "[ ]" 1
163 1 46 MET HB3 1 47 SER H 3.900 . 5.070 4.112 4.112 4.112 . 0 0 "[ ]" 1
164 1 46 MET HB2 1 47 SER H 3.800 . 4.940 3.348 3.348 3.348 . 0 0 "[ ]" 1
165 1 44 THR MG 1 47 SER H 4.800 . 6.240 5.874 5.874 5.874 . 0 0 "[ ]" 1
166 1 47 SER QB 1 48 LYS H 3.900 . 5.070 2.800 2.800 2.800 . 0 0 "[ ]" 1
167 1 47 SER H 1 48 LYS H 3.000 . 3.900 2.628 2.628 2.628 . 0 0 "[ ]" 1
168 1 47 SER HA 1 48 LYS H 3.100 . 4.030 3.473 3.473 3.473 . 0 0 "[ ]" 1
169 1 46 MET HA 1 48 LYS H 3.300 . 4.290 4.104 4.104 4.104 . 0 0 "[ ]" 1
170 1 48 LYS H 1 49 PRO HD2 3.100 . 4.030 4.057 4.057 4.057 0.027 1 0 "[ ]" 1
171 1 48 LYS H 1 49 PRO HD3 3.200 . 4.160 3.235 3.235 3.235 . 0 0 "[ ]" 1
172 1 45 ILE MD 1 48 LYS H 3.200 . 4.160 3.703 3.703 3.703 . 0 0 "[ ]" 1
173 1 48 LYS HA 1 50 GLU H 3.300 . 4.290 3.150 3.150 3.150 . 0 0 "[ ]" 1
174 1 49 PRO HA 1 50 GLU H 2.400 . 3.120 3.313 3.313 3.313 0.193 1 0 "[ ]" 1
175 1 49 PRO HD2 1 50 GLU H 3.400 . 4.420 2.809 2.809 2.809 . 0 0 "[ ]" 1
176 1 49 PRO HD3 1 50 GLU H 3.300 . 4.290 3.910 3.910 3.910 . 0 0 "[ ]" 1
177 1 49 PRO QB 1 50 GLU H 3.300 . 4.290 3.583 3.583 3.583 . 0 0 "[ ]" 1
178 1 44 THR MG 1 50 GLU H 3.800 . 4.940 4.474 4.474 4.474 . 0 0 "[ ]" 1
179 1 44 THR MG 1 51 ASP H 3.600 . 4.680 3.775 3.775 3.775 . 0 0 "[ ]" 1
180 1 50 GLU H 1 51 ASP H 2.500 . 3.250 2.433 2.433 2.433 . 0 0 "[ ]" 1
181 1 50 GLU HA 1 51 ASP H 2.700 . 3.510 3.288 3.288 3.288 . 0 0 "[ ]" 1
182 1 50 GLU HB2 1 51 ASP H 2.900 . 3.770 3.802 3.802 3.802 0.032 1 0 "[ ]" 1
183 1 50 GLU HB3 1 51 ASP H 2.900 . 3.770 3.804 3.804 3.804 0.034 1 0 "[ ]" 1
184 1 51 ASP H 1 52 LEU H 3.000 . 3.900 3.247 3.247 3.247 . 0 0 "[ ]" 1
185 1 44 THR HB 1 52 LEU H 3.300 . 4.290 3.451 3.451 3.451 . 0 0 "[ ]" 1
186 1 44 THR MG 1 52 LEU H 3.700 . 4.810 4.080 4.080 4.080 . 0 0 "[ ]" 1
187 1 51 ASP HA 1 52 LEU H 2.200 . 2.860 2.629 2.629 2.629 . 0 0 "[ ]" 1
188 1 50 GLU HA 1 52 LEU H 3.400 . 4.420 3.939 3.939 3.939 . 0 0 "[ ]" 1
189 1 51 ASP HB2 1 52 LEU H 5.000 . 6.500 4.646 4.646 4.646 . 0 0 "[ ]" 1
190 1 51 ASP HB3 1 52 LEU H 3.400 . 4.420 4.332 4.332 4.332 . 0 0 "[ ]" 1
191 1 52 LEU H 1 53 LYS H 3.700 . 4.810 4.603 4.603 4.603 . 0 0 "[ ]" 1
192 1 43 TYR H 1 53 LYS H 2.900 . 3.770 2.285 2.285 2.285 . 0 0 "[ ]" 1
193 1 44 THR HA 1 53 LYS H 3.400 . 4.420 4.298 4.298 4.298 . 0 0 "[ ]" 1
194 1 44 THR HB 1 53 LYS H 3.100 . 4.030 3.820 3.820 3.820 . 0 0 "[ ]" 1
195 1 52 LEU HA 1 53 LYS H 2.400 . 3.120 2.260 2.260 2.260 . 0 0 "[ ]" 1
196 1 44 THR MG 1 53 LYS H 3.900 . 5.070 4.834 4.834 4.834 . 0 0 "[ ]" 1
197 1 53 LYS HA 1 54 VAL H 2.400 . 3.120 2.123 2.123 2.123 . 0 0 "[ ]" 1
198 1 53 LYS QG 1 54 VAL H 3.600 . 4.680 2.792 2.792 2.792 . 0 0 "[ ]" 1
199 1 54 VAL MG2 1 55 VAL H 3.400 . 4.420 3.893 3.893 3.893 . 0 0 "[ ]" 1
200 1 42 LEU HA 1 55 VAL H 3.100 . 4.030 3.140 3.140 3.140 . 0 0 "[ ]" 1
201 1 54 VAL HA 1 55 VAL H 2.500 . 3.250 2.206 2.206 2.206 . 0 0 "[ ]" 1
202 1 42 LEU QB 1 55 VAL H 3.800 . 4.940 4.822 4.822 4.822 . 0 0 "[ ]" 1
203 1 42 LEU QD 1 55 VAL H 4.000 . 5.200 3.998 3.998 3.998 . 0 0 "[ ]" 1
204 1 57 ASN HA 1 58 CYS H 3.200 . 4.160 3.361 3.361 3.361 . 0 0 "[ ]" 1
205 1 57 ASN HB3 1 58 CYS H 2.800 . 3.640 3.426 3.426 3.426 . 0 0 "[ ]" 1
206 1 58 CYS H 1 59 ALA MB 3.000 . 3.900 3.603 3.603 3.603 . 0 0 "[ ]" 1
207 1 40 THR HA 1 59 ALA H 3.900 . 5.070 4.205 4.205 4.205 . 0 0 "[ ]" 1
208 1 59 ALA H 1 61 THR HB 4.400 . 5.720 3.694 3.694 3.694 . 0 0 "[ ]" 1
209 1 58 CYS H 1 59 ALA H 2.400 . 3.120 2.113 2.113 2.113 . 0 0 "[ ]" 1
210 1 58 CYS HA 1 59 ALA H 2.900 . 3.770 3.241 3.241 3.241 . 0 0 "[ ]" 1
211 1 57 ASN QB 1 59 ALA H 4.000 . 5.200 4.779 4.779 4.779 . 0 0 "[ ]" 1
212 1 59 ALA MB 1 60 ASN H 3.300 . 4.290 2.734 2.734 2.734 . 0 0 "[ ]" 1
213 1 59 ALA H 1 60 ASN H 3.800 . 4.940 4.585 4.585 4.585 . 0 0 "[ ]" 1
214 1 40 THR HA 1 60 ASN H 3.300 . 4.290 2.973 2.973 2.973 . 0 0 "[ ]" 1
215 1 59 ALA HA 1 60 ASN H 2.900 . 3.770 2.413 2.413 2.413 . 0 0 "[ ]" 1
216 1 61 THR H 1 63 ARG QB 4.000 . 5.200 5.346 5.346 5.346 0.146 1 0 "[ ]" 1
217 1 39 TYR H 1 61 THR H 3.000 . 3.900 1.794 1.794 1.794 0.006 1 0 "[ ]" 1
218 1 40 THR HA 1 61 THR H 3.700 . 4.810 4.129 4.129 4.129 . 0 0 "[ ]" 1
219 1 38 HIS HB2 1 61 THR H 3.800 . 4.940 2.610 2.610 2.610 . 0 0 "[ ]" 1
220 1 60 ASN QB 1 61 THR H 4.400 . 5.720 3.820 3.820 3.820 . 0 0 "[ ]" 1
221 1 38 HIS HB3 1 61 THR H 3.600 . 4.680 4.227 4.227 4.227 . 0 0 "[ ]" 1
222 1 60 ASN H 1 61 THR H 3.200 . 4.160 3.490 3.490 3.490 . 0 0 "[ ]" 1
223 1 61 THR HA 1 62 THR H 2.900 . 3.770 2.197 2.197 2.197 . 0 0 "[ ]" 1
224 1 61 THR MG 1 62 THR H 4.200 . 5.460 4.062 4.062 4.062 . 0 0 "[ ]" 1
225 1 62 THR H 1 63 ARG H 3.000 . 3.900 3.300 3.300 3.300 . 0 0 "[ ]" 1
226 1 61 THR HA 1 63 ARG H 3.200 . 4.160 4.218 4.218 4.218 0.058 1 0 "[ ]" 1
227 1 62 THR HB 1 63 ARG H 3.000 . 3.900 4.182 4.182 4.182 0.282 1 0 "[ ]" 1
228 1 63 ARG HA 1 64 SER H 2.700 . 3.510 2.665 2.665 2.665 . 0 0 "[ ]" 1
229 1 63 ARG QG 1 64 SER H 3.000 . 3.900 3.534 3.534 3.534 . 0 0 "[ ]" 1
230 1 63 ARG QB 1 64 SER H 3.700 . 4.810 2.346 2.346 2.346 . 0 0 "[ ]" 1
231 1 64 SER H 1 65 PHE H 3.400 . 4.420 2.576 2.576 2.576 . 0 0 "[ ]" 1
232 1 64 SER HA 1 65 PHE H 3.000 . 3.900 3.572 3.572 3.572 . 0 0 "[ ]" 1
233 1 64 SER QB 1 65 PHE H 4.200 . 5.460 3.052 3.052 3.052 . 0 0 "[ ]" 1
234 1 65 PHE QB 1 66 CYS H 3.600 . 4.680 3.388 3.388 3.388 . 0 0 "[ ]" 1
235 1 25 LEU H 1 66 CYS H 4.000 . 5.200 4.309 4.309 4.309 . 0 0 "[ ]" 1
236 1 65 PHE HA 1 66 CYS H 2.900 . 3.770 2.098 2.098 2.098 . 0 0 "[ ]" 1
237 1 26 SER HA 1 66 CYS H 3.700 . 4.810 2.494 2.494 2.494 . 0 0 "[ ]" 1
238 1 66 CYS HA 1 67 ASP H 2.500 . 3.250 2.286 2.286 2.286 . 0 0 "[ ]" 1
239 1 58 CYS QB 1 67 ASP H 4.200 . 5.460 5.079 5.079 5.079 . 0 0 "[ ]" 1
240 1 67 ASP HA 1 68 LEU H 2.800 . 3.640 2.435 2.435 2.435 . 0 0 "[ ]" 1
241 1 67 ASP HB2 1 68 LEU H 3.900 . 5.070 2.266 2.266 2.266 . 0 0 "[ ]" 1
242 1 24 ILE HA 1 68 LEU H 3.600 . 4.680 2.614 2.614 2.614 . 0 0 "[ ]" 1
243 1 68 LEU HG 1 69 THR H 4.200 . 5.460 4.683 4.683 4.683 . 0 0 "[ ]" 1
244 1 68 LEU HA 1 69 THR H 3.400 . 4.420 2.329 2.329 2.329 . 0 0 "[ ]" 1
245 1 68 LEU H 1 69 THR H 3.000 . 3.900 3.328 3.328 3.328 . 0 0 "[ ]" 1
246 1 69 THR HB 1 70 ASP H 2.900 . 3.770 2.427 2.427 2.427 . 0 0 "[ ]" 1
247 1 69 THR HA 1 70 ASP H 3.600 . 4.680 3.559 3.559 3.559 . 0 0 "[ ]" 1
248 1 69 THR MG 1 70 ASP H 3.700 . 4.810 3.637 3.637 3.637 . 0 0 "[ ]" 1
249 1 69 THR H 1 70 ASP H 3.300 . 4.290 2.458 2.458 2.458 . 0 0 "[ ]" 1
250 1 70 ASP H 1 71 GLU H 2.800 . 3.640 2.341 2.341 2.341 . 0 0 "[ ]" 1
251 1 70 ASP HA 1 71 GLU H 3.100 . 4.030 3.145 3.145 3.145 . 0 0 "[ ]" 1
252 1 68 LEU HA 1 71 GLU H 3.500 . 4.550 3.428 3.428 3.428 . 0 0 "[ ]" 1
253 1 70 ASP HB3 1 71 GLU H 3.700 . 4.810 4.171 4.171 4.171 . 0 0 "[ ]" 1
254 1 70 ASP HB2 1 71 GLU H 3.800 . 4.940 3.919 3.919 3.919 . 0 0 "[ ]" 1
255 1 71 GLU H 1 72 TRP H 2.700 . 3.510 2.275 2.275 2.275 . 0 0 "[ ]" 1
256 1 71 GLU HA 1 72 TRP H 3.100 . 4.030 3.449 3.449 3.449 . 0 0 "[ ]" 1
257 1 68 LEU QB 1 72 TRP H 3.700 . 4.810 3.138 3.138 3.138 . 0 0 "[ ]" 1
258 1 71 GLU QG 1 72 TRP H 3.700 . 4.810 4.806 4.806 4.806 . 0 0 "[ ]" 1
259 1 71 GLU HB2 1 72 TRP H 3.000 . 3.900 3.322 3.322 3.322 . 0 0 "[ ]" 1
260 1 71 GLU HB3 1 72 TRP H 3.000 . 3.900 3.698 3.698 3.698 . 0 0 "[ ]" 1
261 1 72 TRP HE1 1 79 TYR QD 3.400 . 4.420 2.787 2.787 2.787 . 0 0 "[ ]" 1
262 1 43 TYR HA 1 72 TRP HE1 3.400 . 4.420 4.567 4.567 4.567 0.147 1 0 "[ ]" 1
263 1 43 TYR HB3 1 72 TRP HE1 3.400 . 4.420 2.712 2.712 2.712 . 0 0 "[ ]" 1
264 1 43 TYR HB2 1 72 TRP HE1 3.400 . 4.420 2.362 2.362 2.362 . 0 0 "[ ]" 1
265 1 43 TYR QD 1 72 TRP HE1 3.100 . 4.030 2.778 2.778 2.778 . 0 0 "[ ]" 1
266 1 43 TYR QE 1 72 TRP HE1 3.300 . 4.290 3.764 3.764 3.764 . 0 0 "[ ]" 1
267 1 72 TRP HA 1 73 ARG H 2.800 . 3.640 2.666 2.666 2.666 . 0 0 "[ ]" 1
268 1 73 ARG H 1 74 SER H 3.800 . 4.940 2.645 2.645 2.645 . 0 0 "[ ]" 1
269 1 73 ARG HA 1 74 SER H 4.100 . 5.330 3.339 3.339 3.339 . 0 0 "[ ]" 1
270 1 76 HIS HB3 1 77 GLU H 3.700 . 4.810 4.282 4.282 4.282 . 0 0 "[ ]" 1
271 1 74 SER HB3 1 77 GLU H 3.600 . 4.680 4.413 4.413 4.413 . 0 0 "[ ]" 1
272 1 76 HIS HB2 1 77 GLU H 3.800 . 4.940 4.154 4.154 4.154 . 0 0 "[ ]" 1
273 1 46 MET H 1 78 ALA H 3.200 . 4.160 3.603 3.603 3.603 . 0 0 "[ ]" 1
274 1 77 GLU H 1 78 ALA H 3.300 . 4.290 4.355 4.355 4.355 0.065 1 0 "[ ]" 1
275 1 77 GLU HA 1 78 ALA H 2.200 . 2.860 2.370 2.370 2.370 . 0 0 "[ ]" 1
276 1 77 GLU QG 1 78 ALA H 3.200 . 4.160 4.032 4.032 4.032 . 0 0 "[ ]" 1
277 1 77 GLU HB2 1 78 ALA H 3.800 . 4.940 3.631 3.631 3.631 . 0 0 "[ ]" 1
278 1 77 GLU HB3 1 78 ALA H 3.800 . 4.940 2.298 2.298 2.298 . 0 0 "[ ]" 1
279 1 79 TYR H 1 100 TRP HA 3.300 . 4.290 4.143 4.143 4.143 . 0 0 "[ ]" 1
280 1 78 ALA HA 1 79 TYR H 2.400 . 3.120 2.213 2.213 2.213 . 0 0 "[ ]" 1
281 1 78 ALA MB 1 79 TYR H 3.200 . 4.160 3.562 3.562 3.562 . 0 0 "[ ]" 1
282 1 44 THR H 1 80 VAL H 3.300 . 4.290 3.951 3.951 3.951 . 0 0 "[ ]" 1
283 1 79 TYR H 1 80 VAL H 3.600 . 4.680 4.125 4.125 4.125 . 0 0 "[ ]" 1
284 1 79 TYR HA 1 80 VAL H 2.700 . 3.510 2.225 2.225 2.225 . 0 0 "[ ]" 1
285 1 79 TYR QD 1 80 VAL H 3.900 . 5.070 4.430 4.430 4.430 . 0 0 "[ ]" 1
286 1 45 ILE HA 1 80 VAL H 3.300 . 4.290 2.385 2.385 2.385 . 0 0 "[ ]" 1
287 1 81 THR H 1 98 ASN QB 4.400 . 5.720 5.113 5.113 5.113 . 0 0 "[ ]" 1
288 1 81 THR H 1 98 ASN HA 3.100 . 4.030 3.528 3.528 3.528 . 0 0 "[ ]" 1
289 1 81 THR H 1 97 HIS QB 3.300 . 4.290 3.863 3.863 3.863 . 0 0 "[ ]" 1
290 1 80 VAL HB 1 81 THR H 3.600 . 4.680 3.348 3.348 3.348 . 0 0 "[ ]" 1
291 1 80 VAL QG 1 81 THR H 3.200 . 4.160 3.350 3.350 3.350 . 0 0 "[ ]" 1
292 1 81 THR H 1 96 SER HA 3.800 . 4.940 4.394 4.394 4.394 . 0 0 "[ ]" 1
293 1 80 VAL HA 1 81 THR H 2.400 . 3.120 2.144 2.144 2.144 . 0 0 "[ ]" 1
294 1 81 THR H 1 82 VAL H 4.000 . 5.200 4.428 4.428 4.428 . 0 0 "[ ]" 1
295 1 81 THR HA 1 82 VAL H 2.500 . 3.250 2.189 2.189 2.189 . 0 0 "[ ]" 1
296 1 81 THR MG 1 82 VAL H 3.600 . 4.680 2.800 2.800 2.800 . 0 0 "[ ]" 1
297 1 42 LEU H 1 82 VAL H 3.600 . 4.680 3.822 3.822 3.822 . 0 0 "[ ]" 1
298 1 43 TYR HA 1 82 VAL H 3.300 . 4.290 2.683 2.683 2.683 . 0 0 "[ ]" 1
299 1 81 THR HB 1 82 VAL H 3.100 . 4.030 3.526 3.526 3.526 . 0 0 "[ ]" 1
300 1 42 LEU QB 1 82 VAL H 3.800 . 4.940 2.932 2.932 2.932 . 0 0 "[ ]" 1
301 1 83 LEU H 1 94 SER HA 3.900 . 5.070 5.077 5.077 5.077 0.007 1 0 "[ ]" 1
302 1 83 LEU H 1 96 SER HA 3.600 . 4.680 3.040 3.040 3.040 . 0 0 "[ ]" 1
303 1 83 LEU H 1 95 CYS HA 3.800 . 4.940 5.033 5.033 5.033 0.093 1 0 "[ ]" 1
304 1 82 VAL HA 1 83 LEU H 2.700 . 3.510 2.249 2.249 2.249 . 0 0 "[ ]" 1
305 1 41 LEU HA 1 84 GLU H 3.300 . 4.290 3.890 3.890 3.890 . 0 0 "[ ]" 1
306 1 40 THR H 1 84 GLU H 3.400 . 4.420 3.852 3.852 3.852 . 0 0 "[ ]" 1
307 1 83 LEU HG 1 84 GLU H 3.100 . 4.030 3.493 3.493 3.493 . 0 0 "[ ]" 1
308 1 83 LEU HA 1 84 GLU H 2.500 . 3.250 2.104 2.104 2.104 . 0 0 "[ ]" 1
309 1 83 LEU QD 1 84 GLU H 3.300 . 4.290 3.112 3.112 3.112 . 0 0 "[ ]" 1
310 1 83 LEU QB 1 84 GLU H 3.400 . 4.420 3.839 3.839 3.839 . 0 0 "[ ]" 1
311 1 84 GLU QB 1 85 GLY H 3.700 . 4.810 3.551 3.551 3.551 . 0 0 "[ ]" 1
312 1 84 GLU QG 1 85 GLY H 4.400 . 5.720 3.839 3.839 3.839 . 0 0 "[ ]" 1
313 1 85 GLY H 1 94 SER HA 3.400 . 4.420 3.333 3.333 3.333 . 0 0 "[ ]" 1
314 1 84 GLU HA 1 85 GLY H 2.700 . 3.510 2.143 2.143 2.143 . 0 0 "[ ]" 1
315 1 85 GLY H 1 91 THR MG 3.700 . 4.810 4.253 4.253 4.253 . 0 0 "[ ]" 1
316 1 39 TYR HA 1 86 PHE H 3.600 . 4.680 2.924 2.924 2.924 . 0 0 "[ ]" 1
317 1 86 PHE QD 1 87 SER H 3.900 . 5.070 4.743 4.743 4.743 . 0 0 "[ ]" 1
318 1 86 PHE HA 1 87 SER H 2.500 . 3.250 2.193 2.193 2.193 . 0 0 "[ ]" 1
319 1 87 SER H 1 90 THR HB 3.100 . 4.030 4.116 4.116 4.116 0.086 1 0 "[ ]" 1
320 1 87 SER H 1 91 THR MG 3.900 . 5.070 4.749 4.749 4.749 . 0 0 "[ ]" 1
321 1 86 PHE QB 1 87 SER H 3.400 . 4.420 3.211 3.211 3.211 . 0 0 "[ ]" 1
322 1 87 SER H 1 90 THR H 3.100 . 4.030 3.915 3.915 3.915 . 0 0 "[ ]" 1
323 1 89 ASN QB 1 90 THR H 4.000 . 5.200 3.305 3.305 3.305 . 0 0 "[ ]" 1
324 1 89 ASN HB3 1 90 THR H 3.400 . 4.420 4.013 4.013 4.013 . 0 0 "[ ]" 1
325 1 90 THR HA 1 91 THR H 2.900 . 3.770 2.300 2.300 2.300 . 0 0 "[ ]" 1
326 1 87 SER H 1 92 LEU H 3.800 . 4.940 2.764 2.764 2.764 . 0 0 "[ ]" 1
327 1 86 PHE HA 1 92 LEU H 3.000 . 3.900 1.850 1.850 1.850 . 0 0 "[ ]" 1
328 1 91 THR HA 1 92 LEU H 2.700 . 3.510 2.007 2.007 2.007 . 0 0 "[ ]" 1
329 1 91 THR MG 1 92 LEU H 3.200 . 4.160 2.828 2.828 2.828 . 0 0 "[ ]" 1
330 1 91 THR HB 1 92 LEU H 2.700 . 3.510 3.719 3.719 3.719 0.209 1 0 "[ ]" 1
331 1 86 PHE QD 1 92 LEU H 4.500 . 5.850 3.985 3.985 3.985 . 0 0 "[ ]" 1
332 1 92 LEU H 1 93 PHE H 2.500 . 3.250 2.055 2.055 2.055 . 0 0 "[ ]" 1
333 1 86 PHE HA 1 93 PHE H 3.600 . 4.680 3.511 3.511 3.511 . 0 0 "[ ]" 1
334 1 92 LEU QB 1 93 PHE H 3.100 . 4.030 3.144 3.144 3.144 . 0 0 "[ ]" 1
335 1 91 THR MG 1 93 PHE H 3.500 . 4.550 2.898 2.898 2.898 . 0 0 "[ ]" 1
336 1 93 PHE QE 1 94 SER H 4.200 . 5.460 5.514 5.514 5.514 0.054 1 0 "[ ]" 1
337 1 93 PHE QD 1 94 SER H 3.100 . 4.030 3.445 3.445 3.445 . 0 0 "[ ]" 1
338 1 93 PHE HA 1 94 SER H 2.400 . 3.120 2.369 2.369 2.369 . 0 0 "[ ]" 1
339 1 93 PHE HB2 1 94 SER H 2.900 . 3.740 2.254 2.254 2.254 . 0 0 "[ ]" 1
340 1 93 PHE HB3 1 94 SER H 2.900 . 3.770 3.615 3.615 3.615 . 0 0 "[ ]" 1
341 1 84 GLU HA 1 94 SER H 3.300 . 4.290 4.325 4.325 4.325 0.035 1 0 "[ ]" 1
342 1 83 LEU H 1 95 CYS H 3.200 . 4.160 3.631 3.631 3.631 . 0 0 "[ ]" 1
343 1 93 PHE QE 1 95 CYS H 4.200 . 5.460 4.520 4.520 4.520 . 0 0 "[ ]" 1
344 1 93 PHE QD 1 95 CYS H 3.600 . 4.680 3.283 3.283 3.283 . 0 0 "[ ]" 1
345 1 94 SER HA 1 95 CYS H 2.400 . 3.120 2.334 2.334 2.334 . 0 0 "[ ]" 1
346 1 84 GLU HA 1 95 CYS H 3.200 . 4.160 3.293 3.293 3.293 . 0 0 "[ ]" 1
347 1 94 SER QB 1 95 CYS H 3.200 . 4.160 3.744 3.744 3.744 . 0 0 "[ ]" 1
348 1 83 LEU QB 1 95 CYS H 3.900 . 5.070 4.194 4.194 4.194 . 0 0 "[ ]" 1
349 1 84 GLU QB 1 95 CYS H 4.500 . 5.850 5.091 5.091 5.091 . 0 0 "[ ]" 1
350 1 83 LEU HG 1 95 CYS H 3.400 . 4.420 4.195 4.195 4.195 . 0 0 "[ ]" 1
351 1 83 LEU QD 1 95 CYS H 4.400 . 5.720 4.262 4.262 4.262 . 0 0 "[ ]" 1
352 1 95 CYS HA 1 96 SER H 2.800 . 3.640 2.289 2.289 2.289 . 0 0 "[ ]" 1
353 1 95 CYS QB 1 96 SER H 4.200 . 5.460 2.737 2.737 2.737 . 0 0 "[ ]" 1
354 1 81 THR H 1 97 HIS H 3.000 . 3.900 2.554 2.554 2.554 . 0 0 "[ ]" 1
355 1 81 THR HB 1 97 HIS H 3.400 . 4.420 3.988 3.988 3.988 . 0 0 "[ ]" 1
356 1 96 SER HA 1 97 HIS H 2.300 . 2.990 2.449 2.449 2.449 . 0 0 "[ ]" 1
357 1 82 VAL HA 1 97 HIS H 3.100 . 4.030 3.858 3.858 3.858 . 0 0 "[ ]" 1
358 1 80 VAL HA 1 97 HIS H 3.700 . 4.810 4.003 4.003 4.003 . 0 0 "[ ]" 1
359 1 96 SER QB 1 97 HIS H 3.100 . 4.030 2.427 2.427 2.427 . 0 0 "[ ]" 1
360 1 98 ASN HB2 1 99 PHE H 3.600 . 4.680 3.925 3.925 3.925 . 0 0 "[ ]" 1
361 1 98 ASN HB3 1 99 PHE H 3.400 . 4.420 4.440 4.440 4.440 0.020 1 0 "[ ]" 1
362 1 80 VAL QG 1 99 PHE H 4.400 . 5.720 3.485 3.485 3.485 . 0 0 "[ ]" 1
363 1 81 THR H 1 99 PHE H 3.600 . 4.680 3.454 3.454 3.454 . 0 0 "[ ]" 1
364 1 98 ASN HA 1 99 PHE H 2.500 . 3.250 2.206 2.206 2.206 . 0 0 "[ ]" 1
365 1 78 ALA HA 1 99 PHE H 3.800 . 4.940 4.796 4.796 4.796 . 0 0 "[ ]" 1
366 1 80 VAL HA 1 99 PHE H 3.300 . 4.290 2.464 2.464 2.464 . 0 0 "[ ]" 1
367 1 80 VAL HB 1 99 PHE H 3.900 . 5.070 5.116 5.116 5.116 0.046 1 0 "[ ]" 1
368 1 79 TYR H 1 99 PHE H 3.900 . 5.070 4.289 4.289 4.289 . 0 0 "[ ]" 1
369 1 99 PHE HA 1 100 TRP H 2.400 . 3.120 2.146 2.146 2.146 . 0 0 "[ ]" 1
370 1 99 PHE HB2 1 100 TRP H 3.800 . 4.940 4.386 4.386 4.386 . 0 0 "[ ]" 1
371 1 99 PHE HB3 1 100 TRP H 3.800 . 4.910 3.539 3.539 3.539 . 0 0 "[ ]" 1
372 1 78 ALA MB 1 100 TRP HE1 3.600 . 4.680 4.392 4.392 4.392 . 0 0 "[ ]" 1
373 1 100 TRP HE1 1 103 ILE HB 3.500 . 4.550 4.560 4.560 4.560 0.010 1 0 "[ ]" 1
374 1 100 TRP HE1 1 103 ILE MD 4.300 . 5.590 4.112 4.112 4.112 . 0 0 "[ ]" 1
375 1 100 TRP HA 1 101 LEU H 2.700 . 3.510 2.367 2.367 2.367 . 0 0 "[ ]" 1
376 1 78 ALA HA 1 101 LEU H 3.600 . 4.680 2.924 2.924 2.924 . 0 0 "[ ]" 1
377 1 78 ALA HA 1 102 ALA H 3.800 . 4.940 4.577 4.577 4.577 . 0 0 "[ ]" 1
378 1 100 TRP HB3 1 104 ASP H 3.700 . 4.810 3.193 3.193 3.193 . 0 0 "[ ]" 1
379 1 100 TRP HB2 1 104 ASP H 3.700 . 4.810 4.826 4.826 4.826 0.016 1 0 "[ ]" 1
380 1 18 LEU H 1 106 SER H 3.800 . 4.940 4.033 4.033 4.033 . 0 0 "[ ]" 1
381 1 17 SER HA 1 106 SER H 3.200 . 4.160 4.235 4.235 4.235 0.075 1 0 "[ ]" 1
382 1 12 CYS HA 1 29 LEU HA 2.500 . 3.250 3.329 3.329 3.329 0.079 1 0 "[ ]" 1
383 1 14 PHE HA 1 27 TRP HA 2.500 . 3.250 1.974 1.974 1.974 . 0 0 "[ ]" 1
384 1 16 ILE HA 1 25 LEU HA 2.300 . 2.990 1.954 1.954 1.954 . 0 0 "[ ]" 1
385 1 18 LEU HA 1 23 SER HA 2.500 . 3.250 2.817 2.817 2.817 . 0 0 "[ ]" 1
386 1 24 ILE HA 1 67 ASP HA 2.300 . 2.990 1.910 1.910 1.910 . 0 0 "[ ]" 1
387 1 26 SER HA 1 65 PHE HA 2.300 . 2.990 2.059 2.059 2.059 . 0 0 "[ ]" 1
388 1 39 TYR HA 1 85 GLY HA3 2.700 2.100 3.420 3.314 3.314 3.314 . 0 0 "[ ]" 1
389 1 39 TYR HA 1 85 GLY HA2 2.700 2.100 3.420 2.210 2.210 2.210 . 0 0 "[ ]" 1
390 1 41 LEU HA 1 83 LEU HA 2.400 . 3.120 2.613 2.613 2.613 . 0 0 "[ ]" 1
391 1 42 LEU HA 1 54 VAL HA 2.300 . 2.990 2.442 2.442 2.442 . 0 0 "[ ]" 1
392 1 43 TYR HA 1 81 THR HA 2.400 . 3.120 1.742 1.742 1.742 0.058 1 0 "[ ]" 1
393 1 45 ILE HA 1 79 TYR HA 2.300 . 3.050 2.339 2.339 2.339 . 0 0 "[ ]" 1
394 1 86 PHE HA 1 91 THR HA 2.400 . 3.120 1.848 1.848 1.848 . 0 0 "[ ]" 1
395 1 84 GLU HA 1 94 SER HA 2.300 . 2.990 1.850 1.850 1.850 . 0 0 "[ ]" 1
396 1 82 VAL HA 1 96 SER HA 2.100 . 2.730 1.942 1.942 1.942 . 0 0 "[ ]" 1
397 1 80 VAL HA 1 98 ASN HA 2.100 . 2.730 1.954 1.954 1.954 . 0 0 "[ ]" 1
398 1 78 ALA HA 1 100 TRP HA 2.500 . 3.250 2.522 2.522 2.522 . 0 0 "[ ]" 1
399 1 12 CYS HA 1 29 LEU HB3 2.900 . 3.770 3.547 3.547 3.547 . 0 0 "[ ]" 1
400 1 13 THR HB 1 28 GLU HB3 2.400 . 3.120 2.324 2.324 2.324 . 0 0 "[ ]" 1
401 1 13 THR HB 1 28 GLU HB2 2.600 . 3.380 2.696 2.696 2.696 . 0 0 "[ ]" 1
402 1 13 THR HB 1 28 GLU QG 2.700 . 3.510 3.517 3.517 3.517 0.007 1 0 "[ ]" 1
403 1 14 PHE HA 1 27 TRP QB 2.900 . 3.770 3.673 3.673 3.673 . 0 0 "[ ]" 1
404 1 14 PHE HB2 1 25 LEU QD 3.500 . 4.550 3.899 3.899 3.899 . 0 0 "[ ]" 1
405 1 14 PHE HB3 1 25 LEU QD 3.600 . 4.680 3.226 3.226 3.226 . 0 0 "[ ]" 1
406 1 14 PHE HB3 1 99 PHE HZ 3.100 . 4.030 2.825 2.825 2.825 . 0 0 "[ ]" 1
407 1 14 PHE HB2 1 99 PHE HZ 3.200 . 4.160 2.516 2.516 2.516 . 0 0 "[ ]" 1
408 1 16 ILE HA 1 25 LEU HB3 2.600 . 3.380 3.461 3.461 3.461 0.081 1 0 "[ ]" 1
409 1 16 ILE HA 1 25 LEU HB2 2.700 . 3.510 3.416 3.416 3.416 . 0 0 "[ ]" 1
410 1 16 ILE HB 1 25 LEU HA 3.100 . 4.030 3.675 3.675 3.675 . 0 0 "[ ]" 1
411 1 16 ILE HG12 1 25 LEU HA 2.800 . 3.640 3.708 3.708 3.708 0.068 1 0 "[ ]" 1
412 1 16 ILE HG13 1 25 LEU HA 3.200 . 4.160 2.214 2.214 2.214 . 0 0 "[ ]" 1
413 1 16 ILE QG 1 72 TRP HZ3 3.200 . 4.160 4.173 4.173 4.173 0.013 1 0 "[ ]" 1
414 1 17 SER HA 1 106 SER QB 3.300 . 4.290 2.092 2.092 2.092 . 0 0 "[ ]" 1
415 1 15 LYS QG 1 17 SER HA 3.200 . 4.160 4.333 4.333 4.333 0.173 1 0 "[ ]" 1
416 1 16 ILE MG 1 17 SER HA 3.300 . 4.290 3.468 3.468 3.468 . 0 0 "[ ]" 1
417 1 17 SER HB3 1 24 ILE HB 2.900 . 3.770 3.795 3.795 3.795 0.025 1 0 "[ ]" 1
418 1 17 SER HB2 1 24 ILE HB 2.900 . 3.770 3.686 3.686 3.686 . 0 0 "[ ]" 1
419 1 17 SER HB3 1 24 ILE MD 3.500 . 4.550 3.600 3.600 3.600 . 0 0 "[ ]" 1
420 1 17 SER HB2 1 24 ILE MD 3.300 . 4.290 4.309 4.309 4.309 0.019 1 0 "[ ]" 1
421 1 19 ARG HB3 1 24 ILE MD 3.200 . 4.160 2.312 2.312 2.312 . 0 0 "[ ]" 1
422 1 19 ARG HB2 1 24 ILE MD 3.500 . 4.550 3.080 3.080 3.080 . 0 0 "[ ]" 1
423 1 20 ASN HA 1 21 PHE QD 3.200 . 4.160 3.236 3.236 3.236 . 0 0 "[ ]" 1
424 1 18 LEU MD1 1 21 PHE HA 2.800 . 3.640 3.010 3.010 3.010 . 0 0 "[ ]" 1
425 1 18 LEU MD2 1 21 PHE HA 2.800 . 3.640 2.961 2.961 2.961 . 0 0 "[ ]" 1
426 1 18 LEU HG 1 21 PHE HA 2.400 . 3.120 1.795 1.795 1.795 0.005 1 0 "[ ]" 1
427 1 18 LEU QD 1 21 PHE HB3 3.600 . 4.680 4.199 4.199 4.199 . 0 0 "[ ]" 1
428 1 18 LEU QD 1 21 PHE HB2 3.600 . 4.680 3.669 3.669 3.669 . 0 0 "[ ]" 1
429 1 18 LEU HG 1 21 PHE HB2 3.100 . 4.030 4.012 4.012 4.012 . 0 0 "[ ]" 1
430 1 18 LEU HG 1 21 PHE HB3 3.200 . 4.160 4.260 4.260 4.260 0.100 1 0 "[ ]" 1
431 1 18 LEU QD 1 22 ARG HA 3.400 . 4.420 2.995 2.995 2.995 . 0 0 "[ ]" 1
432 1 22 ARG HA 1 69 THR MG 2.900 . 3.770 1.951 1.951 1.951 . 0 0 "[ ]" 1
433 1 18 LEU MD1 1 23 SER HA 3.300 . 4.290 1.894 1.894 1.894 . 0 0 "[ ]" 1
434 1 18 LEU MD2 1 23 SER HA 3.300 . 4.290 4.376 4.376 4.376 0.086 1 0 "[ ]" 1
435 1 16 ILE MD 1 23 SER HB3 3.000 . 3.900 3.549 3.549 3.549 . 0 0 "[ ]" 1
436 1 16 ILE MD 1 23 SER HB2 3.100 . 4.030 4.107 4.107 4.107 0.077 1 0 "[ ]" 1
437 1 24 ILE HA 1 67 ASP QB 2.600 . 3.380 3.438 3.438 3.438 0.058 1 0 "[ ]" 1
438 1 24 ILE HA 1 68 LEU HG 2.100 . 2.730 2.752 2.752 2.752 0.022 1 0 "[ ]" 1
439 1 24 ILE HB 1 67 ASP HA 3.000 . 3.900 3.977 3.977 3.977 0.077 1 0 "[ ]" 1
440 1 24 ILE MG 1 26 SER HA 3.400 . 4.420 4.501 4.501 4.501 0.081 1 0 "[ ]" 1
441 1 15 LYS QB 1 26 SER QB 3.100 . 4.030 3.890 3.890 3.890 . 0 0 "[ ]" 1
442 1 14 PHE QE 1 27 TRP HA 3.200 . 4.160 4.358 4.358 4.358 0.198 1 0 "[ ]" 1
443 1 27 TRP HA 1 28 GLU HB2 2.900 . 3.770 3.856 3.856 3.856 0.086 1 0 "[ ]" 1
444 1 28 GLU HA 1 29 LEU MD1 3.400 . 4.420 3.021 3.021 3.021 . 0 0 "[ ]" 1
445 1 36 PRO HA 1 37 THR MG 3.500 . 4.550 4.027 4.027 4.027 . 0 0 "[ ]" 1
446 1 36 PRO HA 1 92 LEU QD 2.900 . 3.770 3.776 3.776 3.776 0.006 1 0 "[ ]" 1
447 1 36 PRO QB 1 92 LEU QD 3.500 . 4.550 1.934 1.934 1.934 . 0 0 "[ ]" 1
448 1 38 HIS HA 1 62 THR HA 2.200 . 2.860 2.093 2.093 2.093 . 0 0 "[ ]" 1
449 1 38 HIS HA 1 62 THR HB 2.500 . 3.250 3.388 3.388 3.388 0.138 1 0 "[ ]" 1
450 1 38 HIS HA 1 62 THR MG 2.600 . 3.380 3.108 3.108 3.108 . 0 0 "[ ]" 1
451 1 39 TYR HA 1 83 LEU MD1 3.300 . 4.290 3.866 3.866 3.866 . 0 0 "[ ]" 1
452 1 40 THR HA 1 42 LEU MD2 3.500 . 4.550 4.578 4.578 4.578 0.028 1 0 "[ ]" 1
453 1 40 THR HA 1 59 ALA HA 2.200 . 2.860 1.736 1.736 1.736 0.064 1 0 "[ ]" 1
454 1 41 LEU HB3 1 66 CYS HB3 3.100 . 4.030 3.787 3.787 3.787 . 0 0 "[ ]" 1
455 1 41 LEU HB3 1 66 CYS HB2 3.100 . 4.030 3.828 3.828 3.828 . 0 0 "[ ]" 1
456 1 41 LEU HB2 1 66 CYS HB3 3.100 . 4.030 3.183 3.183 3.183 . 0 0 "[ ]" 1
457 1 41 LEU HB2 1 66 CYS HB2 3.100 . 4.030 2.990 2.990 2.990 . 0 0 "[ ]" 1
458 1 43 TYR HA 1 81 THR HB 3.000 . 3.900 4.084 4.084 4.084 0.184 1 0 "[ ]" 1
459 1 43 TYR HA 1 81 THR MG 3.200 . 4.160 2.051 2.051 2.051 . 0 0 "[ ]" 1
460 1 43 TYR QD 1 44 THR HA 3.000 . 3.900 2.675 2.675 2.675 . 0 0 "[ ]" 1
461 1 43 TYR QE 1 44 THR HA 3.200 . 4.160 3.624 3.624 3.624 . 0 0 "[ ]" 1
462 1 44 THR HA 1 52 LEU QD 3.500 . 4.550 4.182 4.182 4.182 . 0 0 "[ ]" 1
463 1 45 ILE HA 1 77 GLU QB 2.700 . 3.510 3.687 3.687 3.687 0.177 1 0 "[ ]" 1
464 1 48 LYS HA 1 49 PRO HD3 2.200 . 2.860 2.868 2.868 2.868 0.008 1 0 "[ ]" 1
465 1 48 LYS HA 1 49 PRO HD2 2.100 . 2.730 2.129 2.129 2.129 . 0 0 "[ ]" 1
466 1 44 THR MG 1 49 PRO HA 2.500 . 3.250 1.899 1.899 1.899 . 0 0 "[ ]" 1
467 1 49 PRO HA 1 80 VAL QG 3.400 . 4.420 2.645 2.645 2.645 . 0 0 "[ ]" 1
468 1 44 THR MG 1 49 PRO HB3 3.500 . 4.550 3.363 3.363 3.363 . 0 0 "[ ]" 1
469 1 44 THR MG 1 49 PRO HB2 3.500 . 4.550 3.744 3.744 3.744 . 0 0 "[ ]" 1
470 1 48 LYS HB3 1 51 ASP HB3 2.700 . 3.510 3.529 3.529 3.529 0.019 1 0 "[ ]" 1
471 1 48 LYS HB3 1 51 ASP HB2 2.700 . 3.510 2.677 2.677 2.677 . 0 0 "[ ]" 1
472 1 48 LYS HB2 1 51 ASP HB2 2.700 . 3.510 3.531 3.531 3.531 0.021 1 0 "[ ]" 1
473 1 48 LYS QG 1 51 ASP HB2 3.400 . 4.420 4.417 4.417 4.417 . 0 0 "[ ]" 1
474 1 44 THR HA 1 52 LEU HA 2.700 . 3.510 3.206 3.206 3.206 . 0 0 "[ ]" 1
475 1 44 THR HB 1 52 LEU HA 2.200 . 2.860 1.778 1.778 1.778 0.022 1 0 "[ ]" 1
476 1 42 LEU QD 1 53 LYS HA 3.200 . 4.160 4.235 4.235 4.235 0.075 1 0 "[ ]" 1
477 1 53 LYS HA 1 54 VAL QG 3.600 . 4.680 3.198 3.198 3.198 . 0 0 "[ ]" 1
478 1 40 THR MG 1 54 VAL HA 3.100 . 4.030 3.068 3.068 3.068 . 0 0 "[ ]" 1
479 1 42 LEU QB 1 54 VAL HA 2.600 . 3.380 3.422 3.422 3.422 0.042 1 0 "[ ]" 1
480 1 53 LYS QB 1 55 VAL HA 2.800 . 3.640 3.710 3.710 3.710 0.070 1 0 "[ ]" 1
481 1 53 LYS QG 1 55 VAL HA 2.800 . 3.640 3.699 3.699 3.699 0.059 1 0 "[ ]" 1
482 1 55 VAL QG 1 57 ASN QB 3.500 . 4.550 3.979 3.979 3.979 . 0 0 "[ ]" 1
483 1 58 CYS HA 1 61 THR HB 2.300 . 2.990 3.002 3.002 3.002 0.012 1 0 "[ ]" 1
484 1 41 LEU HB3 1 58 CYS HB3 3.000 . 3.900 2.208 2.208 2.208 . 0 0 "[ ]" 1
485 1 41 LEU HB2 1 58 CYS HB3 3.000 . 3.900 2.191 2.191 2.191 . 0 0 "[ ]" 1
486 1 41 LEU HB3 1 58 CYS HB2 3.000 . 3.900 2.817 2.817 2.817 . 0 0 "[ ]" 1
487 1 41 LEU HB2 1 58 CYS HB2 3.000 . 3.900 3.659 3.659 3.659 . 0 0 "[ ]" 1
488 1 55 VAL HB 1 58 CYS HB2 2.800 . 3.640 1.977 1.977 1.977 . 0 0 "[ ]" 1
489 1 55 VAL HB 1 58 CYS HB3 2.800 . 3.640 3.360 3.360 3.360 . 0 0 "[ ]" 1
490 1 55 VAL QG 1 58 CYS HB3 3.400 . 4.420 3.864 3.864 3.864 . 0 0 "[ ]" 1
491 1 55 VAL QG 1 58 CYS HB2 3.400 . 4.420 2.974 2.974 2.974 . 0 0 "[ ]" 1
492 1 58 CYS HB3 1 61 THR MG 3.400 . 4.420 3.525 3.525 3.525 . 0 0 "[ ]" 1
493 1 58 CYS HB2 1 61 THR MG 3.400 . 4.420 4.443 4.443 4.443 0.023 1 0 "[ ]" 1
494 1 40 THR HB 1 59 ALA HA 2.800 . 3.640 3.748 3.748 3.748 0.108 1 0 "[ ]" 1
495 1 54 VAL QG 1 59 ALA HA 3.000 . 3.900 3.909 3.909 3.909 0.009 1 0 "[ ]" 1
496 1 59 ALA HA 1 61 THR MG 3.200 . 4.160 3.752 3.752 3.752 . 0 0 "[ ]" 1
497 1 38 HIS HA 1 60 ASN HA 2.800 . 3.640 3.982 3.982 3.982 0.342 1 0 "[ ]" 1
498 1 38 HIS HB3 1 60 ASN HA 3.000 . 3.900 3.896 3.896 3.896 . 0 0 "[ ]" 1
499 1 38 HIS HB2 1 60 ASN HA 3.000 . 3.900 2.264 2.264 2.264 . 0 0 "[ ]" 1
500 1 38 HIS HD2 1 60 ASN HA 2.200 . 2.860 2.947 2.947 2.947 0.087 1 0 "[ ]" 1
501 1 59 ALA MB 1 60 ASN HB3 3.600 . 4.680 4.491 4.491 4.491 . 0 0 "[ ]" 1
502 1 59 ALA MB 1 60 ASN HB2 3.500 . 4.550 4.599 4.599 4.599 0.049 1 0 "[ ]" 1
503 1 38 HIS HB2 1 62 THR HA 3.000 . 3.900 4.013 4.013 4.013 0.113 1 0 "[ ]" 1
504 1 39 TYR QE 1 62 THR HA 3.300 . 4.290 4.354 4.354 4.354 0.064 1 0 "[ ]" 1
505 1 27 TRP HH2 1 64 SER HA 2.900 . 3.770 3.808 3.808 3.808 0.038 1 0 "[ ]" 1
506 1 27 TRP HZ2 1 64 SER HA 2.500 . 3.250 1.932 1.932 1.932 . 0 0 "[ ]" 1
507 1 39 TYR QE 1 64 SER HA 3.300 . 4.290 3.604 3.604 3.604 . 0 0 "[ ]" 1
508 1 27 TRP HZ2 1 64 SER HB3 3.200 . 4.160 4.225 4.225 4.225 0.065 1 0 "[ ]" 1
509 1 39 TYR QE 1 64 SER HB3 3.400 . 4.420 3.698 3.698 3.698 . 0 0 "[ ]" 1
510 1 27 TRP HZ2 1 64 SER HB2 3.200 . 4.160 4.079 4.079 4.079 . 0 0 "[ ]" 1
511 1 39 TYR QE 1 64 SER HB2 3.300 . 4.290 4.394 4.394 4.394 0.104 1 0 "[ ]" 1
512 1 24 ILE MG 1 65 PHE HA 3.200 . 4.160 4.193 4.193 4.193 0.033 1 0 "[ ]" 1
513 1 58 CYS QB 1 66 CYS QB 3.600 . 4.680 2.634 2.634 2.634 . 0 0 "[ ]" 1
514 1 24 ILE MG 1 67 ASP HA 2.500 . 3.250 1.913 1.913 1.913 . 0 0 "[ ]" 1
515 1 24 ILE MG 1 67 ASP HB3 3.100 . 4.030 2.541 2.541 2.541 . 0 0 "[ ]" 1
516 1 24 ILE MG 1 67 ASP HB2 3.100 . 4.030 3.245 3.245 3.245 . 0 0 "[ ]" 1
517 1 68 LEU HA 1 71 GLU QB 2.800 . 3.640 2.506 2.506 2.506 . 0 0 "[ ]" 1
518 1 68 LEU HA 1 71 GLU QG 3.100 . 4.030 3.683 3.683 3.683 . 0 0 "[ ]" 1
519 1 23 SER HB3 1 69 THR HA 2.800 . 3.640 3.739 3.739 3.739 0.099 1 0 "[ ]" 1
520 1 23 SER HB2 1 69 THR HA 2.800 . 3.640 3.723 3.723 3.723 0.083 1 0 "[ ]" 1
521 1 68 LEU QD 1 71 GLU QB 3.200 . 4.100 3.287 3.287 3.287 . 0 0 "[ ]" 1
522 1 72 TRP HA 1 79 TYR QE 3.100 . 4.030 2.561 2.561 2.561 . 0 0 "[ ]" 1
523 1 72 TRP HB3 1 101 LEU QD 3.500 . 4.550 2.412 2.412 2.412 . 0 0 "[ ]" 1
524 1 72 TRP HB2 1 101 LEU QD 3.700 . 4.810 3.376 3.376 3.376 . 0 0 "[ ]" 1
525 1 74 SER HB3 1 77 GLU HB3 3.000 . 3.900 3.918 3.918 3.918 0.018 1 0 "[ ]" 1
526 1 74 SER HB3 1 77 GLU HB2 3.000 . 3.900 2.554 2.554 2.554 . 0 0 "[ ]" 1
527 1 74 SER HB3 1 77 GLU HG3 2.800 . 3.640 2.995 2.995 2.995 . 0 0 "[ ]" 1
528 1 74 SER HB3 1 77 GLU HG2 2.800 . 3.640 2.925 2.925 2.925 . 0 0 "[ ]" 1
529 1 74 SER HB2 1 77 GLU HB3 3.000 . 3.900 3.402 3.402 3.402 . 0 0 "[ ]" 1
530 1 74 SER HB2 1 77 GLU HB2 3.000 . 3.900 1.960 1.960 1.960 . 0 0 "[ ]" 1
531 1 74 SER HB2 1 77 GLU HG3 2.800 . 3.640 3.654 3.654 3.654 0.014 1 0 "[ ]" 1
532 1 74 SER HB2 1 77 GLU HG2 2.800 . 3.640 3.662 3.662 3.662 0.022 1 0 "[ ]" 1
533 1 75 THR HA 1 101 LEU HB3 3.100 . 4.030 3.691 3.691 3.691 . 0 0 "[ ]" 1
534 1 75 THR HA 1 101 LEU HB2 3.100 . 4.030 2.904 2.904 2.904 . 0 0 "[ ]" 1
535 1 75 THR HB 1 101 LEU HB3 3.600 . 4.680 4.684 4.684 4.684 0.004 1 0 "[ ]" 1
536 1 75 THR HB 1 101 LEU HB2 3.600 . 4.680 4.423 4.423 4.423 . 0 0 "[ ]" 1
537 1 75 THR HA 1 102 ALA MB 4.200 . 5.460 4.148 4.148 4.148 . 0 0 "[ ]" 1
538 1 75 THR HB 1 102 ALA MB 3.500 . 4.550 4.075 4.075 4.075 . 0 0 "[ ]" 1
539 1 45 ILE MG 1 77 GLU HA 3.500 . 4.550 4.189 4.189 4.189 . 0 0 "[ ]" 1
540 1 77 GLU HA 1 78 ALA MB 2.900 . 3.770 3.859 3.859 3.859 0.089 1 0 "[ ]" 1
541 1 14 PHE QE 1 83 LEU QB 3.200 . 4.160 2.141 2.141 2.141 . 0 0 "[ ]" 1
542 1 44 THR MG 1 80 VAL HA 3.500 . 4.550 4.303 4.303 4.303 . 0 0 "[ ]" 1
543 1 43 TYR HB3 1 81 THR HA 2.800 . 3.640 3.765 3.765 3.765 0.125 1 0 "[ ]" 1
544 1 43 TYR HB2 1 81 THR HA 2.500 . 3.250 3.294 3.294 3.294 0.044 1 0 "[ ]" 1
545 1 72 TRP HH2 1 81 THR HB 3.000 . 3.900 3.968 3.968 3.968 0.068 1 0 "[ ]" 1
546 1 72 TRP HZ2 1 81 THR HB 3.000 . 3.900 3.845 3.845 3.845 . 0 0 "[ ]" 1
547 1 81 THR HB 1 99 PHE QD 3.100 . 4.030 4.032 4.032 4.032 0.002 1 0 "[ ]" 1
548 1 81 THR HB 1 99 PHE QE 2.800 . 3.640 2.621 2.621 2.621 . 0 0 "[ ]" 1
549 1 82 VAL HA 1 96 SER QB 3.000 . 3.900 2.541 2.541 2.541 . 0 0 "[ ]" 1
550 1 14 PHE QD 1 83 LEU HG 3.500 . 4.550 4.813 4.813 4.813 0.263 1 0 "[ ]" 1
551 1 14 PHE QE 1 83 LEU HG 3.000 . 3.900 3.353 3.353 3.353 . 0 0 "[ ]" 1
552 1 84 GLU HA 1 94 SER QB 3.000 . 3.900 3.431 3.431 3.431 . 0 0 "[ ]" 1
553 1 40 THR HB 1 84 GLU HB3 2.800 . 3.640 3.671 3.671 3.671 0.031 1 0 "[ ]" 1
554 1 82 VAL QG 1 84 GLU HB3 3.400 . 4.420 4.536 4.536 4.536 0.116 1 0 "[ ]" 1
555 1 84 GLU HB3 1 86 PHE QE 3.200 . 4.160 3.419 3.419 3.419 . 0 0 "[ ]" 1
556 1 84 GLU HB3 1 86 PHE HZ 2.900 . 3.770 3.014 3.014 3.014 . 0 0 "[ ]" 1
557 1 40 THR HB 1 84 GLU HB2 2.800 . 3.640 3.539 3.539 3.539 . 0 0 "[ ]" 1
558 1 82 VAL QG 1 84 GLU HB2 3.300 . 4.290 3.491 3.491 3.491 . 0 0 "[ ]" 1
559 1 84 GLU HB2 1 86 PHE QE 3.200 . 4.160 4.189 4.189 4.189 0.029 1 0 "[ ]" 1
560 1 84 GLU HB2 1 86 PHE HZ 2.900 . 3.770 3.809 3.809 3.809 0.039 1 0 "[ ]" 1
561 1 82 VAL QG 1 84 GLU HG3 2.900 . 3.770 2.362 2.362 2.362 . 0 0 "[ ]" 1
562 1 84 GLU HG3 1 94 SER QB 3.100 . 4.030 1.830 1.830 1.830 . 0 0 "[ ]" 1
563 1 82 VAL QG 1 84 GLU HG2 2.900 . 3.770 3.779 3.779 3.779 0.009 1 0 "[ ]" 1
564 1 84 GLU HG2 1 94 SER QB 3.100 . 4.030 1.970 1.970 1.970 . 0 0 "[ ]" 1
565 1 86 PHE HA 1 90 THR MG 3.200 . 4.160 4.299 4.299 4.299 0.139 1 0 "[ ]" 1
566 1 87 SER HA 1 93 PHE QE 3.300 . 4.290 4.460 4.460 4.460 0.170 1 0 "[ ]" 1
567 1 91 THR HA 1 92 LEU HB3 2.900 . 3.770 3.970 3.970 3.970 0.200 1 0 "[ ]" 1
568 1 82 VAL QG 1 94 SER HA 3.300 . 4.290 3.433 3.433 3.433 . 0 0 "[ ]" 1
569 1 84 GLU HB3 1 94 SER HA 3.000 . 3.900 3.924 3.924 3.924 0.024 1 0 "[ ]" 1
570 1 84 GLU HB2 1 94 SER HA 3.000 . 3.900 4.097 4.097 4.097 0.197 1 0 "[ ]" 1
571 1 84 GLU HG3 1 94 SER HA 2.900 . 3.770 2.208 2.208 2.208 . 0 0 "[ ]" 1
572 1 84 GLU HG2 1 94 SER HA 2.900 . 3.770 2.582 2.582 2.582 . 0 0 "[ ]" 1
573 1 93 PHE QD 1 94 SER HA 3.000 . 3.900 3.921 3.921 3.921 0.021 1 0 "[ ]" 1
574 1 82 VAL QG 1 94 SER HB3 2.800 . 3.640 2.998 2.998 2.998 . 0 0 "[ ]" 1
575 1 82 VAL QG 1 94 SER HB2 2.800 . 3.640 3.735 3.735 3.735 0.095 1 0 "[ ]" 1
576 1 14 PHE QE 1 95 CYS HB3 3.400 . 4.420 2.801 2.801 2.801 . 0 0 "[ ]" 1
577 1 14 PHE QE 1 95 CYS HB2 3.400 . 4.420 3.172 3.172 3.172 . 0 0 "[ ]" 1
578 1 14 PHE QE 1 96 SER HA 3.200 . 4.160 4.168 4.168 4.168 0.008 1 0 "[ ]" 1
579 1 82 VAL MG2 1 96 SER HA 2.600 . 3.380 3.125 3.125 3.125 . 0 0 "[ ]" 1
580 1 82 VAL QG 1 96 SER HB3 2.900 . 3.770 1.865 1.865 1.865 . 0 0 "[ ]" 1
581 1 82 VAL QG 1 96 SER HB2 2.800 . 3.640 1.915 1.915 1.915 . 0 0 "[ ]" 1
582 1 14 PHE QD 1 97 HIS HB3 3.400 . 4.420 2.994 2.994 2.994 . 0 0 "[ ]" 1
583 1 97 HIS HB3 1 99 PHE QE 3.300 . 4.290 2.339 2.339 2.339 . 0 0 "[ ]" 1
584 1 14 PHE QD 1 97 HIS HB2 3.400 . 4.420 2.780 2.780 2.780 . 0 0 "[ ]" 1
585 1 97 HIS HB2 1 99 PHE QE 3.500 . 4.550 4.026 4.026 4.026 . 0 0 "[ ]" 1
586 1 80 VAL QG 1 98 ASN HB3 3.700 . 4.810 2.165 2.165 2.165 . 0 0 "[ ]" 1
587 1 80 VAL QG 1 98 ASN HB2 3.800 . 4.940 2.900 2.900 2.900 . 0 0 "[ ]" 1
588 1 100 TRP HA 1 103 ILE HB 3.100 . 4.030 4.087 4.087 4.087 0.057 1 0 "[ ]" 1
589 1 100 TRP QB 1 103 ILE HB 2.800 . 3.640 2.288 2.288 2.288 . 0 0 "[ ]" 1
590 1 100 TRP QB 1 103 ILE QG 3.200 . 4.160 2.808 2.808 2.808 . 0 0 "[ ]" 1
591 1 18 LEU HB2 1 107 PHE HA 2.700 . 3.510 3.539 3.539 3.539 0.029 1 0 "[ ]" 1
592 1 18 LEU HB3 1 107 PHE HA 2.700 . 3.510 2.539 2.539 2.539 . 0 0 "[ ]" 1
593 1 11 SER QB 1 13 THR MG 3.900 . 5.070 4.352 4.352 4.352 . 0 0 "[ ]" 1
594 1 13 THR MG 1 15 LYS QE 3.200 . 4.160 4.177 4.177 4.177 0.017 1 0 "[ ]" 1
595 1 13 THR MG 1 15 LYS QB 3.000 . 3.900 3.934 3.934 3.934 0.034 1 0 "[ ]" 1
596 1 13 THR MG 1 28 GLU HB3 3.400 2.200 4.420 3.901 3.901 3.901 . 0 0 "[ ]" 1
597 1 13 THR MG 1 28 GLU HB2 3.400 . 4.420 3.612 3.612 3.612 . 0 0 "[ ]" 1
598 1 13 THR MG 1 28 GLU QG 3.600 . 4.680 4.212 4.212 4.212 . 0 0 "[ ]" 1
599 1 16 ILE MD 1 23 SER HA 3.100 . 4.030 4.071 4.071 4.071 0.041 1 0 "[ ]" 1
600 1 16 ILE MD 1 25 LEU HA 2.900 . 3.770 3.736 3.736 3.736 . 0 0 "[ ]" 1
601 1 16 ILE MD 1 25 LEU HB3 2.900 2.400 3.590 2.208 2.208 2.208 0.192 1 0 "[ ]" 1
602 1 16 ILE MD 1 25 LEU HB2 2.900 . 3.770 3.103 3.103 3.103 . 0 0 "[ ]" 1
603 1 16 ILE MD 1 72 TRP HE3 3.600 . 4.680 2.511 2.511 2.511 . 0 0 "[ ]" 1
604 1 16 ILE MD 1 72 TRP HH2 3.300 . 4.290 2.960 2.960 2.960 . 0 0 "[ ]" 1
605 1 16 ILE MD 1 72 TRP HZ2 3.500 . 4.550 2.062 2.062 2.062 . 0 0 "[ ]" 1
606 1 16 ILE MD 1 68 LEU MD1 4.200 . 5.460 1.878 1.878 1.878 . 0 0 "[ ]" 1
607 1 16 ILE MD 1 68 LEU MD2 3.400 . 4.420 3.155 3.155 3.155 . 0 0 "[ ]" 1
608 1 16 ILE MD 1 99 PHE HZ 3.200 . 4.160 4.261 4.261 4.261 0.101 1 0 "[ ]" 1
609 1 16 ILE MD 1 101 LEU MD1 3.500 . 4.550 3.610 3.610 3.610 . 0 0 "[ ]" 1
610 1 16 ILE MD 1 101 LEU MD2 3.500 . 4.550 1.833 1.833 1.833 . 0 0 "[ ]" 1
611 1 18 LEU QD 1 101 LEU QB 2.900 . 3.770 3.859 3.859 3.859 0.089 1 0 "[ ]" 1
612 1 18 LEU QD 1 105 MET QB 3.300 . 4.290 3.384 3.384 3.384 . 0 0 "[ ]" 1
613 1 18 LEU QD 1 21 PHE QB 3.000 . 3.900 3.451 3.451 3.451 . 0 0 "[ ]" 1
614 1 24 ILE MG 1 26 SER HB3 3.100 . 4.030 4.047 4.047 4.047 0.017 1 0 "[ ]" 1
615 1 24 ILE MG 1 26 SER HB2 3.500 . 4.550 4.561 4.561 4.561 0.011 1 0 "[ ]" 1
616 1 24 ILE MG 1 65 PHE HB3 3.200 . 4.160 4.177 4.177 4.177 0.017 1 0 "[ ]" 1
617 1 24 ILE MG 1 65 PHE HB2 3.200 . 4.160 2.893 2.893 2.893 . 0 0 "[ ]" 1
618 1 16 ILE MD 1 25 LEU QD 3.800 . 4.940 2.486 2.486 2.486 . 0 0 "[ ]" 1
619 1 25 LEU QD 1 68 LEU QB 3.000 . 3.900 3.367 3.367 3.367 . 0 0 "[ ]" 1
620 1 25 LEU QD 1 68 LEU MD2 4.200 . 5.460 1.928 1.928 1.928 . 0 0 "[ ]" 1
621 1 25 LEU QD 1 72 TRP HZ2 3.700 . 4.810 2.058 2.058 2.058 . 0 0 "[ ]" 1
622 1 25 LEU QD 1 79 TYR QE 4.000 . 5.200 5.385 5.385 5.385 0.185 1 0 "[ ]" 1
623 1 25 LEU QD 1 81 THR HA 3.700 . 4.810 4.517 4.517 4.517 . 0 0 "[ ]" 1
624 1 25 LEU QD 1 81 THR HB 3.900 . 5.070 3.224 3.224 3.224 . 0 0 "[ ]" 1
625 1 25 LEU QD 1 99 PHE QD 4.100 . 4.290 3.769 3.769 3.769 . 0 0 "[ ]" 1
626 1 11 SER QB 1 29 LEU QD 3.800 . 4.940 4.467 4.467 4.467 . 0 0 "[ ]" 1
627 1 12 CYS HA 1 29 LEU QD 2.900 . 3.770 2.802 2.802 2.802 . 0 0 "[ ]" 1
628 1 27 TRP HD1 1 29 LEU QD 3.200 . 4.160 1.773 1.773 1.773 0.027 1 0 "[ ]" 1
629 1 27 TRP HE3 1 29 LEU QD 3.000 . 3.900 4.063 4.063 4.063 0.163 1 0 "[ ]" 1
630 1 27 TRP HZ2 1 29 LEU QD 3.000 . 3.900 4.063 4.063 4.063 0.163 1 0 "[ ]" 1
631 1 29 LEU QD 1 39 TYR QE 2.900 . 3.770 2.122 2.122 2.122 . 0 0 "[ ]" 1
632 1 29 LEU QD 1 83 LEU QD 3.900 . 5.070 1.710 1.710 1.710 0.090 1 0 "[ ]" 1
633 1 37 THR MG 1 38 HIS HA 2.700 . 3.510 3.335 3.335 3.335 . 0 0 "[ ]" 1
634 1 40 THR MG 1 42 LEU HA 3.900 . 5.070 3.881 3.881 3.881 . 0 0 "[ ]" 1
635 1 40 THR MG 1 42 LEU QB 2.700 . 3.510 3.673 3.673 3.673 0.163 1 0 "[ ]" 1
636 1 40 THR MG 1 42 LEU QD 3.400 . 4.420 1.745 1.745 1.745 0.055 1 0 "[ ]" 1
637 1 40 THR MG 1 54 VAL HB 3.400 . 4.420 1.964 1.964 1.964 . 0 0 "[ ]" 1
638 1 40 THR MG 1 54 VAL MG1 3.100 . 4.030 2.762 2.762 2.762 . 0 0 "[ ]" 1
639 1 40 THR MG 1 54 VAL MG2 3.100 2.100 3.940 3.132 3.132 3.132 . 0 0 "[ ]" 1
640 1 40 THR MG 1 59 ALA HA 2.600 . 3.380 2.547 2.547 2.547 . 0 0 "[ ]" 1
641 1 41 LEU QD 1 81 THR HB 3.600 . 4.680 3.426 3.426 3.426 . 0 0 "[ ]" 1
642 1 41 LEU QD 1 81 THR MG 3.800 . 4.940 1.907 1.907 1.907 . 0 0 "[ ]" 1
643 1 41 LEU QD 1 66 CYS HB3 3.100 . 4.030 2.809 2.809 2.809 . 0 0 "[ ]" 1
644 1 41 LEU QD 1 66 CYS HB2 3.100 . 4.030 3.645 3.645 3.645 . 0 0 "[ ]" 1
645 1 41 LEU QD 1 58 CYS QB 3.300 . 4.290 3.463 3.463 3.463 . 0 0 "[ ]" 1
646 1 42 LEU QD 1 54 VAL HA 2.800 . 3.640 2.159 2.159 2.159 . 0 0 "[ ]" 1
647 1 42 LEU QD 1 54 VAL HB 3.100 . 4.030 1.929 1.929 1.929 . 0 0 "[ ]" 1
648 1 42 LEU QD 1 82 VAL HB 3.000 . 3.900 2.598 2.598 2.598 . 0 0 "[ ]" 1
649 1 40 THR HB 1 42 LEU QD 2.900 . 3.770 3.449 3.449 3.449 . 0 0 "[ ]" 1
650 1 42 LEU QD 1 54 VAL QG 3.200 . 4.160 1.737 1.737 1.737 0.063 1 0 "[ ]" 1
651 1 42 LEU QD 1 83 LEU HA 3.600 . 4.680 3.047 3.047 3.047 . 0 0 "[ ]" 1
652 1 42 LEU QD 1 84 GLU HA 3.600 . 4.680 3.604 3.604 3.604 . 0 0 "[ ]" 1
653 1 42 LEU QD 1 84 GLU HB3 2.300 . 2.990 3.069 3.069 3.069 0.079 1 0 "[ ]" 1
654 1 42 LEU QD 1 84 GLU HB2 2.700 . 3.510 1.767 1.767 1.767 0.033 1 0 "[ ]" 1
655 1 42 LEU QD 1 84 GLU QG 3.300 . 4.290 2.602 2.602 2.602 . 0 0 "[ ]" 1
656 1 44 THR MG 1 80 VAL HB 2.500 . 3.250 2.733 2.733 2.733 . 0 0 "[ ]" 1
657 1 44 THR MG 1 80 VAL QG 2.900 . 3.770 1.719 1.719 1.719 0.081 1 0 "[ ]" 1
658 1 44 THR MG 1 46 MET HA 2.800 . 3.640 3.159 3.159 3.159 . 0 0 "[ ]" 1
659 1 44 THR MG 1 52 LEU QD 2.900 . 3.770 1.876 1.876 1.876 . 0 0 "[ ]" 1
660 1 44 THR MG 1 52 LEU HG 3.000 . 3.900 1.986 1.986 1.986 . 0 0 "[ ]" 1
661 1 43 TYR QE 1 45 ILE MG 3.600 . 4.680 4.717 4.717 4.717 0.037 1 0 "[ ]" 1
662 1 45 ILE MG 1 77 GLU QB 2.900 . 3.770 1.899 1.899 1.899 . 0 0 "[ ]" 1
663 1 45 ILE MG 1 77 GLU QG 3.400 . 4.420 2.355 2.355 2.355 . 0 0 "[ ]" 1
664 1 45 ILE MG 1 78 ALA HA 3.500 . 4.550 4.641 4.641 4.641 0.091 1 0 "[ ]" 1
665 1 45 ILE MG 1 79 TYR HA 3.000 . 3.900 2.599 2.599 2.599 . 0 0 "[ ]" 1
666 1 45 ILE MG 1 79 TYR HE1 3.200 . 4.160 3.229 3.229 3.229 . 0 0 "[ ]" 1
667 1 46 MET ME 1 100 TRP HZ2 3.800 . 4.940 3.769 3.769 3.769 . 0 0 "[ ]" 1
668 1 46 MET ME 1 100 TRP HZ3 4.600 . 5.980 5.323 5.323 5.323 . 0 0 "[ ]" 1
669 1 46 MET ME 1 78 ALA MB 3.700 . 4.160 1.815 1.815 1.815 . 0 0 "[ ]" 1
670 1 46 MET ME 1 80 VAL QG 4.100 . 5.330 3.443 3.443 3.443 . 0 0 "[ ]" 1
671 1 46 MET ME 1 98 ASN HA 4.600 . 5.980 4.830 4.830 4.830 . 0 0 "[ ]" 1
672 1 43 TYR HA 1 52 LEU MD1 3.200 . 4.160 4.172 4.172 4.172 0.012 1 0 "[ ]" 1
673 1 43 TYR HA 1 52 LEU MD2 3.200 . 4.160 2.163 2.163 2.163 . 0 0 "[ ]" 1
674 1 43 TYR HB3 1 52 LEU QD 3.600 . 4.680 3.937 3.937 3.937 . 0 0 "[ ]" 1
675 1 43 TYR HB2 1 52 LEU QD 3.400 . 4.420 4.063 4.063 4.063 . 0 0 "[ ]" 1
676 1 44 THR HB 1 52 LEU QD 3.300 . 4.290 2.904 2.904 2.904 . 0 0 "[ ]" 1
677 1 52 LEU MD1 1 81 THR HA 3.300 . 4.290 4.035 4.035 4.035 . 0 0 "[ ]" 1
678 1 52 LEU MD2 1 81 THR HA 3.300 . 4.290 2.757 2.757 2.757 . 0 0 "[ ]" 1
679 1 52 LEU QD 1 81 THR HB 3.600 . 4.680 4.725 4.725 4.725 0.045 1 0 "[ ]" 1
680 1 52 LEU QD 1 82 VAL HB 2.500 . 3.250 1.919 1.919 1.919 . 0 0 "[ ]" 1
681 1 55 VAL QG 1 68 LEU QD 3.300 . 4.290 3.673 3.673 3.673 . 0 0 "[ ]" 1
682 1 42 LEU HA 1 55 VAL QG 3.200 . 4.160 3.580 3.580 3.580 . 0 0 "[ ]" 1
683 1 43 TYR QB 1 55 VAL QG 3.600 . 4.680 3.364 3.364 3.364 . 0 0 "[ ]" 1
684 1 43 TYR QD 1 55 VAL QG 3.700 . 4.810 1.796 1.796 1.796 0.004 1 0 "[ ]" 1
685 1 43 TYR QE 1 55 VAL QG 3.100 . 4.030 1.780 1.780 1.780 0.020 1 0 "[ ]" 1
686 1 53 LYS HB3 1 55 VAL QG 3.200 . 4.160 2.897 2.897 2.897 . 0 0 "[ ]" 1
687 1 53 LYS HB2 1 55 VAL QG 3.200 . 4.160 4.267 4.267 4.267 0.107 1 0 "[ ]" 1
688 1 53 LYS QG 1 55 VAL QG 3.200 . 4.160 3.863 3.863 3.863 . 0 0 "[ ]" 1
689 1 40 THR HA 1 59 ALA MB 3.100 . 4.030 3.480 3.480 3.480 . 0 0 "[ ]" 1
690 1 40 THR HB 1 59 ALA MB 3.500 . 4.550 4.374 4.374 4.374 . 0 0 "[ ]" 1
691 1 27 TRP HH2 1 61 THR MG 3.200 . 4.160 2.275 2.275 2.275 . 0 0 "[ ]" 1
692 1 27 TRP HZ2 1 61 THR MG 3.000 . 3.900 3.068 3.068 3.068 . 0 0 "[ ]" 1
693 1 27 TRP HZ3 1 61 THR MG 3.800 . 4.940 4.039 4.039 4.039 . 0 0 "[ ]" 1
694 1 39 TYR HA 1 61 THR MG 3.700 . 4.810 4.136 4.136 4.136 . 0 0 "[ ]" 1
695 1 39 TYR HB3 1 61 THR MG 2.900 . 3.770 3.918 3.918 3.918 0.148 1 0 "[ ]" 1
696 1 39 TYR HB2 1 61 THR MG 3.000 . 3.900 2.601 2.601 2.601 . 0 0 "[ ]" 1
697 1 39 TYR QD 1 61 THR MG 3.600 . 4.680 3.240 3.240 3.240 . 0 0 "[ ]" 1
698 1 40 THR HA 1 61 THR MG 3.400 . 4.420 3.375 3.375 3.375 . 0 0 "[ ]" 1
699 1 58 CYS HA 1 61 THR MG 2.800 . 3.640 2.231 2.231 2.231 . 0 0 "[ ]" 1
700 1 38 HIS HB3 1 62 THR MG 3.500 . 4.550 2.236 2.236 2.236 . 0 0 "[ ]" 1
701 1 38 HIS HB2 1 62 THR MG 3.300 . 4.290 3.158 3.158 3.158 . 0 0 "[ ]" 1
702 1 38 HIS HD2 1 62 THR MG 3.600 . 4.680 4.720 4.720 4.720 0.040 1 0 "[ ]" 1
703 1 24 ILE HB 1 68 LEU QD 3.100 . 4.030 4.197 4.197 4.197 0.167 1 0 "[ ]" 1
704 1 25 LEU HB3 1 68 LEU MD1 2.500 . 3.250 2.802 2.802 2.802 . 0 0 "[ ]" 1
705 1 25 LEU HB2 1 68 LEU MD1 4.000 . 5.200 4.286 4.286 4.286 . 0 0 "[ ]" 1
706 1 25 LEU QD 1 68 LEU QD 3.000 . 3.900 1.728 1.728 1.728 0.072 1 0 "[ ]" 1
707 1 68 LEU QD 1 71 GLU QG 3.800 . 4.940 4.454 4.454 4.454 . 0 0 "[ ]" 1
708 1 68 LEU QD 1 79 TYR HB3 3.800 . 4.940 4.353 4.353 4.353 . 0 0 "[ ]" 1
709 1 68 LEU QD 1 79 TYR HB2 3.500 . 4.550 4.657 4.657 4.657 0.107 1 0 "[ ]" 1
710 1 25 LEU HB3 1 68 LEU MD2 2.800 . 3.640 2.430 2.430 2.430 . 0 0 "[ ]" 1
711 1 25 LEU HB2 1 68 LEU MD2 3.000 . 3.900 3.701 3.701 3.701 . 0 0 "[ ]" 1
712 1 25 LEU MD1 1 68 LEU MD2 3.100 . 4.030 3.517 3.517 3.517 . 0 0 "[ ]" 1
713 1 25 LEU MD2 1 68 LEU MD2 3.300 . 4.290 1.937 1.937 1.937 . 0 0 "[ ]" 1
714 1 75 THR MG 1 101 LEU HB3 3.500 . 4.550 4.156 4.156 4.156 . 0 0 "[ ]" 1
715 1 75 THR MG 1 101 LEU HB2 3.500 . 4.550 4.337 4.337 4.337 . 0 0 "[ ]" 1
716 1 78 ALA MB 1 100 TRP HA 3.000 . 3.900 2.613 2.613 2.613 . 0 0 "[ ]" 1
717 1 78 ALA MB 1 100 TRP HB3 3.600 . 4.680 4.683 4.683 4.683 0.003 1 0 "[ ]" 1
718 1 78 ALA MB 1 100 TRP HB2 3.600 . 4.680 3.915 3.915 3.915 . 0 0 "[ ]" 1
719 1 78 ALA MB 1 100 TRP HE3 3.500 . 4.290 3.507 3.507 3.507 . 0 0 "[ ]" 1
720 1 78 ALA MB 1 100 TRP HZ3 3.600 . 4.680 3.957 3.957 3.957 . 0 0 "[ ]" 1
721 1 46 MET HA 1 78 ALA MB 3.500 . 4.550 4.381 4.381 4.381 . 0 0 "[ ]" 1
722 1 46 MET HB3 1 78 ALA MB 2.600 . 3.380 2.526 2.526 2.526 . 0 0 "[ ]" 1
723 1 46 MET HB2 1 78 ALA MB 2.700 . 3.510 3.568 3.568 3.568 0.058 1 0 "[ ]" 1
724 1 46 MET QG 1 78 ALA MB 2.800 . 3.640 1.814 1.814 1.814 . 0 0 "[ ]" 1
725 1 78 ALA MB 1 98 ASN HB3 3.300 . 4.290 3.880 3.880 3.880 . 0 0 "[ ]" 1
726 1 78 ALA MB 1 98 ASN HB2 3.300 . 4.290 2.683 2.683 2.683 . 0 0 "[ ]" 1
727 1 44 THR MG 1 80 VAL MG1 3.200 . 4.160 3.683 3.683 3.683 . 0 0 "[ ]" 1
728 1 45 ILE HA 1 80 VAL MG1 3.500 . 4.550 4.461 4.461 4.461 . 0 0 "[ ]" 1
729 1 46 MET HA 1 80 VAL MG1 2.600 . 3.380 2.731 2.731 2.731 . 0 0 "[ ]" 1
730 1 46 MET HB3 1 80 VAL MG1 2.600 . 3.380 2.476 2.476 2.476 . 0 0 "[ ]" 1
731 1 46 MET HB2 1 80 VAL MG1 3.100 . 4.030 3.882 3.882 3.882 . 0 0 "[ ]" 1
732 1 46 MET ME 1 80 VAL MG1 3.200 . 4.160 3.578 3.578 3.578 . 0 0 "[ ]" 1
733 1 46 MET QG 1 80 VAL MG1 2.700 . 3.510 3.597 3.597 3.597 0.087 1 0 "[ ]" 1
734 1 80 VAL MG1 1 98 ASN HA 3.100 . 4.030 1.883 1.883 1.883 . 0 0 "[ ]" 1
735 1 44 THR HA 1 80 VAL MG2 3.500 . 4.550 4.031 4.031 4.031 . 0 0 "[ ]" 1
736 1 45 ILE HA 1 80 VAL MG2 3.500 . 4.550 2.612 2.612 2.612 . 0 0 "[ ]" 1
737 1 46 MET HA 1 80 VAL MG2 2.900 . 3.770 2.054 2.054 2.054 . 0 0 "[ ]" 1
738 1 46 MET HB3 1 80 VAL MG2 2.600 . 3.380 3.012 3.012 3.012 . 0 0 "[ ]" 1
739 1 80 VAL MG2 1 98 ASN HA 3.400 . 4.420 4.033 4.033 4.033 . 0 0 "[ ]" 1
740 1 25 LEU HB2 1 81 THR MG 3.400 . 4.420 4.346 4.346 4.346 . 0 0 "[ ]" 1
741 1 25 LEU MD1 1 81 THR MG 3.000 . 3.900 2.309 2.309 2.309 . 0 0 "[ ]" 1
742 1 25 LEU MD2 1 81 THR MG 3.200 . 4.160 1.801 1.801 1.801 . 0 0 "[ ]" 1
743 1 43 TYR HB3 1 81 THR MG 3.300 . 4.290 1.903 1.903 1.903 . 0 0 "[ ]" 1
744 1 43 TYR HB2 1 81 THR MG 3.300 . 4.290 1.772 1.772 1.772 0.028 1 0 "[ ]" 1
745 1 43 TYR QD 1 81 THR MG 3.600 . 4.680 3.525 3.525 3.525 . 0 0 "[ ]" 1
746 1 72 TRP HZ3 1 81 THR MG 4.200 . 5.460 4.974 4.974 4.974 . 0 0 "[ ]" 1
747 1 72 TRP HZ2 1 81 THR MG 2.800 . 3.640 1.734 1.734 1.734 0.066 1 0 "[ ]" 1
748 1 72 TRP HH2 1 81 THR MG 2.800 . 3.640 3.024 3.024 3.024 . 0 0 "[ ]" 1
749 1 79 TYR QE 1 81 THR MG 3.900 . 5.070 5.255 5.255 5.255 0.185 1 0 "[ ]" 1
750 1 81 THR MG 1 99 PHE QD 3.700 . 4.810 4.305 4.305 4.305 . 0 0 "[ ]" 1
751 1 81 THR MG 1 99 PHE QE 3.400 . 4.420 3.647 3.647 3.647 . 0 0 "[ ]" 1
752 1 81 THR MG 1 99 PHE HZ 2.900 . 3.770 3.871 3.871 3.871 0.101 1 0 "[ ]" 1
753 1 27 TRP HD1 1 83 LEU MD1 3.700 . 4.550 4.708 4.708 4.708 0.158 1 0 "[ ]" 1
754 1 27 TRP HH2 1 83 LEU MD1 3.600 . 4.680 3.371 3.371 3.371 . 0 0 "[ ]" 1
755 1 39 TYR HB3 1 83 LEU MD1 3.400 . 4.420 2.091 2.091 2.091 . 0 0 "[ ]" 1
756 1 39 TYR HB2 1 83 LEU MD1 3.400 . 4.420 2.985 2.985 2.985 . 0 0 "[ ]" 1
757 1 39 TYR QD 1 83 LEU MD1 3.500 . 4.550 3.424 3.424 3.424 . 0 0 "[ ]" 1
758 1 41 LEU HA 1 83 LEU MD1 3.100 . 4.030 2.249 2.249 2.249 . 0 0 "[ ]" 1
759 1 41 LEU HB3 1 83 LEU MD1 3.400 . 4.420 4.332 4.332 4.332 . 0 0 "[ ]" 1
760 1 41 LEU HB2 1 83 LEU MD1 3.700 . 4.810 3.205 3.205 3.205 . 0 0 "[ ]" 1
761 1 41 LEU MD1 1 83 LEU MD1 3.100 . 4.030 3.953 3.953 3.953 . 0 0 "[ ]" 1
762 1 41 LEU HG 1 83 LEU MD1 3.300 . 4.290 4.306 4.306 4.306 0.016 1 0 "[ ]" 1
763 1 83 LEU MD1 1 93 PHE HZ 3.100 . 4.030 4.115 4.115 4.115 0.085 1 0 "[ ]" 1
764 1 27 TRP HD1 1 83 LEU MD2 3.400 . 4.420 3.468 3.468 3.468 . 0 0 "[ ]" 1
765 1 39 TYR HB3 1 83 LEU MD2 3.400 . 4.420 3.611 3.611 3.611 . 0 0 "[ ]" 1
766 1 39 TYR HB2 1 83 LEU MD2 3.400 . 4.360 4.495 4.495 4.495 0.135 1 0 "[ ]" 1
767 1 39 TYR QD 1 83 LEU MD2 3.500 . 4.550 3.938 3.938 3.938 . 0 0 "[ ]" 1
768 1 41 LEU QD 1 83 LEU MD2 3.600 . 4.680 3.124 3.124 3.124 . 0 0 "[ ]" 1
769 1 83 LEU MD2 1 93 PHE QE 3.200 . 4.160 2.275 2.275 2.275 . 0 0 "[ ]" 1
770 1 83 LEU MD2 1 93 PHE HZ 2.800 . 3.640 3.678 3.678 3.678 0.038 1 0 "[ ]" 1
771 1 83 LEU MD2 1 95 CYS QB 3.700 . 4.810 3.917 3.917 3.917 . 0 0 "[ ]" 1
772 1 87 SER QB 1 90 THR MG 4.000 . 5.200 3.712 3.712 3.712 . 0 0 "[ ]" 1
773 1 86 PHE HA 1 91 THR MG 3.200 . 4.160 3.039 3.039 3.039 . 0 0 "[ ]" 1
774 1 86 PHE QD 1 91 THR MG 4.100 . 4.680 2.070 2.070 2.070 . 0 0 "[ ]" 1
775 1 86 PHE QE 1 91 THR MG 3.900 . 5.070 1.923 1.923 1.923 . 0 0 "[ ]" 1
776 1 86 PHE HZ 1 91 THR MG 3.500 . 4.550 3.689 3.689 3.689 . 0 0 "[ ]" 1
777 1 87 SER HB3 1 92 LEU QD 3.200 2.300 4.010 3.282 3.282 3.282 . 0 0 "[ ]" 1
778 1 87 SER HB2 1 92 LEU QD 3.400 . 4.420 1.976 1.976 1.976 . 0 0 "[ ]" 1
779 1 72 TRP HB3 1 101 LEU MD1 3.100 . 4.030 2.609 2.609 2.609 . 0 0 "[ ]" 1
780 1 72 TRP HB2 1 101 LEU MD1 3.100 . 4.030 4.047 4.047 4.047 0.017 1 0 "[ ]" 1
781 1 72 TRP HB3 1 101 LEU MD2 3.100 . 4.030 2.841 2.841 2.841 . 0 0 "[ ]" 1
782 1 72 TRP HB2 1 101 LEU MD2 3.100 . 4.030 3.615 3.615 3.615 . 0 0 "[ ]" 1
783 1 72 TRP HA 1 101 LEU QD 3.700 . 4.810 4.151 4.151 4.151 . 0 0 "[ ]" 1
784 1 99 PHE QB 1 101 LEU QD 3.200 . 4.160 2.830 2.830 2.830 . 0 0 "[ ]" 1
785 1 76 HIS HA 1 102 ALA MB 3.800 . 4.940 2.358 2.358 2.358 . 0 0 "[ ]" 1
786 1 77 GLU HA 1 102 ALA MB 3.200 . 4.160 4.258 4.258 4.258 0.098 1 0 "[ ]" 1
787 1 100 TRP HA 1 103 ILE MD 3.700 . 4.810 4.302 4.302 4.302 . 0 0 "[ ]" 1
788 1 100 TRP QB 1 103 ILE MD 3.200 . 4.160 3.899 3.899 3.899 . 0 0 "[ ]" 1
789 1 100 TRP QB 1 103 ILE MG 3.300 . 4.290 2.863 2.863 2.863 . 0 0 "[ ]" 1
790 1 18 LEU HA 1 105 MET ME 3.800 . 4.940 4.946 4.946 4.946 0.006 1 0 "[ ]" 1
791 1 23 SER HA 1 105 MET ME 3.600 . 4.680 4.700 4.700 4.700 0.020 1 0 "[ ]" 1
792 1 23 SER QB 1 105 MET ME 3.900 . 5.070 4.080 4.080 4.080 . 0 0 "[ ]" 1
793 1 14 PHE QD 1 83 LEU MD1 3.300 . 4.290 4.314 4.314 4.314 0.024 1 0 "[ ]" 1
794 1 14 PHE QD 1 83 LEU MD2 3.300 . 4.290 2.081 2.081 2.081 . 0 0 "[ ]" 1
795 1 14 PHE QE 1 83 LEU MD1 3.500 . 4.550 4.072 4.072 4.072 . 0 0 "[ ]" 1
796 1 14 PHE QE 1 83 LEU MD2 3.100 . 4.030 1.771 1.771 1.771 0.029 1 0 "[ ]" 1
797 1 27 TRP HD1 1 28 GLU HA 3.100 . 4.030 3.237 3.237 3.237 . 0 0 "[ ]" 1
798 1 27 TRP HD1 1 29 LEU MD1 3.200 . 4.160 1.903 1.903 1.903 . 0 0 "[ ]" 1
799 1 27 TRP HD1 1 29 LEU MD2 3.200 . 4.160 2.116 2.116 2.116 . 0 0 "[ ]" 1
800 1 27 TRP HD1 1 64 SER HA 3.400 . 4.420 4.311 4.311 4.311 . 0 0 "[ ]" 1
801 1 27 TRP HD1 1 64 SER HB3 3.400 . 4.420 4.495 4.495 4.495 0.075 1 0 "[ ]" 1
802 1 27 TRP HD1 1 64 SER HB2 3.400 . 4.420 3.163 3.163 3.163 . 0 0 "[ ]" 1
803 1 27 TRP HH2 1 83 LEU QD 4.000 . 5.200 3.316 3.316 3.316 . 0 0 "[ ]" 1
804 1 27 TRP HH2 1 66 CYS HB3 3.600 . 4.680 4.643 4.643 4.643 . 0 0 "[ ]" 1
805 1 27 TRP HH2 1 66 CYS HB2 3.600 . 4.680 3.585 3.585 3.585 . 0 0 "[ ]" 1
806 1 27 TRP HZ2 1 39 TYR HB3 3.200 . 4.160 3.638 3.638 3.638 . 0 0 "[ ]" 1
807 1 27 TRP HZ2 1 39 TYR HB2 3.200 . 4.160 2.341 2.341 2.341 . 0 0 "[ ]" 1
808 1 27 TRP HZ3 1 66 CYS HB3 3.600 . 4.680 3.265 3.265 3.265 . 0 0 "[ ]" 1
809 1 27 TRP HZ3 1 66 CYS HB2 3.600 . 4.680 3.160 3.160 3.160 . 0 0 "[ ]" 1
810 1 27 TRP HZ3 1 83 LEU QD 4.200 . 5.460 2.352 2.352 2.352 . 0 0 "[ ]" 1
811 1 38 HIS HD2 1 60 ASN HB3 3.400 . 4.420 1.934 1.934 1.934 . 0 0 "[ ]" 1
812 1 38 HIS HD2 1 60 ASN HB2 3.500 . 4.550 1.961 1.961 1.961 . 0 0 "[ ]" 1
813 1 38 HIS HE1 1 86 PHE HA 3.900 . 5.070 4.167 4.167 4.167 . 0 0 "[ ]" 1
814 1 38 HIS HE1 1 86 PHE QB 3.700 . 4.810 1.896 1.896 1.896 . 0 0 "[ ]" 1
815 1 38 HIS HE1 1 86 PHE QD 3.600 . 4.160 3.764 3.764 3.764 . 0 0 "[ ]" 1
816 1 29 LEU MD1 1 39 TYR QE 3.100 . 4.030 4.089 4.089 4.089 0.059 1 0 "[ ]" 1
817 1 29 LEU MD2 1 39 TYR QE 3.100 . 4.030 2.129 2.129 2.129 . 0 0 "[ ]" 1
818 1 39 TYR QE 1 85 GLY HA3 3.600 . 4.680 3.541 3.541 3.541 . 0 0 "[ ]" 1
819 1 39 TYR QE 1 85 GLY HA2 3.600 . 4.680 4.742 4.742 4.742 0.062 1 0 "[ ]" 1
820 1 39 TYR QD 1 85 GLY HA3 3.300 . 4.290 1.948 1.948 1.948 . 0 0 "[ ]" 1
821 1 39 TYR QD 1 85 GLY HA2 3.300 . 4.290 2.681 2.681 2.681 . 0 0 "[ ]" 1
822 1 43 TYR QD 1 71 GLU QG 4.100 . 5.330 4.613 4.613 4.613 . 0 0 "[ ]" 1
823 1 43 TYR QD 1 79 TYR QD 2.800 . 3.640 2.146 2.146 2.146 . 0 0 "[ ]" 1
824 1 43 TYR QD 1 79 TYR QE 2.900 . 3.770 2.120 2.120 2.120 . 0 0 "[ ]" 1
825 1 43 TYR QE 1 71 GLU HB3 3.600 . 4.680 3.326 3.326 3.326 . 0 0 "[ ]" 1
826 1 43 TYR QE 1 71 GLU HB2 3.600 . 4.680 4.684 4.684 4.684 0.004 1 0 "[ ]" 1
827 1 43 TYR QE 1 71 GLU QG 3.400 . 4.420 2.990 2.990 2.990 . 0 0 "[ ]" 1
828 1 43 TYR QE 1 79 TYR QD 2.800 . 3.640 3.793 3.793 3.793 0.153 1 0 "[ ]" 1
829 1 43 TYR QE 1 79 TYR QE 2.900 . 3.770 1.795 1.795 1.795 0.005 1 0 "[ ]" 1
830 1 72 TRP HE3 1 101 LEU MD1 3.100 . 4.030 1.971 1.971 1.971 . 0 0 "[ ]" 1
831 1 72 TRP HE3 1 101 LEU MD2 3.100 . 4.030 1.846 1.846 1.846 . 0 0 "[ ]" 1
832 1 72 TRP HH2 1 101 LEU MD1 3.700 . 4.810 4.818 4.818 4.818 0.008 1 0 "[ ]" 1
833 1 72 TRP HH2 1 101 LEU MD2 3.700 . 4.810 4.807 4.807 4.807 . 0 0 "[ ]" 1
834 1 68 LEU QD 1 72 TRP HZ2 3.900 . 5.070 3.239 3.239 3.239 . 0 0 "[ ]" 1
835 1 43 TYR QD 1 72 TRP HD1 3.600 . 4.680 3.901 3.901 3.901 . 0 0 "[ ]" 1
836 1 43 TYR QE 1 72 TRP HD1 2.900 . 3.770 3.594 3.594 3.594 . 0 0 "[ ]" 1
837 1 68 LEU QD 1 72 TRP HD1 4.100 . 5.330 2.841 2.841 2.841 . 0 0 "[ ]" 1
838 1 71 GLU HB3 1 72 TRP HD1 3.400 . 4.420 2.407 2.407 2.407 . 0 0 "[ ]" 1
839 1 71 GLU HB2 1 72 TRP HD1 3.400 . 4.420 3.527 3.527 3.527 . 0 0 "[ ]" 1
840 1 71 GLU QG 1 72 TRP HD1 3.700 . 4.810 4.194 4.194 4.194 . 0 0 "[ ]" 1
841 1 72 TRP HD1 1 79 TYR QD 3.700 . 4.810 3.718 3.718 3.718 . 0 0 "[ ]" 1
842 1 72 TRP HD1 1 79 TYR QE 3.000 . 3.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
843 1 72 TRP HA 1 79 TYR QD 2.700 . 3.510 3.718 3.718 3.718 0.208 1 0 "[ ]" 1
844 1 72 TRP QB 1 79 TYR QD 3.600 . 4.680 3.201 3.201 3.201 . 0 0 "[ ]" 1
845 1 79 TYR QD 1 101 LEU MD1 3.900 . 5.070 1.955 1.955 1.955 . 0 0 "[ ]" 1
846 1 79 TYR QD 1 101 LEU MD2 3.700 . 4.810 3.838 3.838 3.838 . 0 0 "[ ]" 1
847 1 75 THR HA 1 79 TYR QE 3.800 . 4.940 4.757 4.757 4.757 . 0 0 "[ ]" 1
848 1 79 TYR QE 1 101 LEU MD2 3.700 . 4.810 4.878 4.878 4.878 0.068 1 0 "[ ]" 1
849 1 79 TYR QE 1 101 LEU MD1 3.700 . 4.810 3.482 3.482 3.482 . 0 0 "[ ]" 1
850 1 39 TYR HA 1 86 PHE QD 2.800 . 3.640 3.434 3.434 3.434 . 0 0 "[ ]" 1
851 1 85 GLY QA 1 86 PHE QD 3.300 . 4.290 3.188 3.188 3.188 . 0 0 "[ ]" 1
852 1 86 PHE QD 1 91 THR HA 2.700 . 3.510 2.175 2.175 2.175 . 0 0 "[ ]" 1
853 1 86 PHE QD 1 91 THR HB 2.700 . 3.510 3.563 3.563 3.563 0.053 1 0 "[ ]" 1
854 1 92 LEU HB3 1 93 PHE QD 3.300 . 4.290 2.422 2.422 2.422 . 0 0 "[ ]" 1
855 1 92 LEU HB2 1 93 PHE QD 3.200 . 4.160 3.723 3.723 3.723 . 0 0 "[ ]" 1
856 1 92 LEU MD1 1 93 PHE QD 4.100 . 5.330 3.578 3.578 3.578 . 0 0 "[ ]" 1
857 1 92 LEU MD2 1 93 PHE QD 4.000 . 5.200 2.086 2.086 2.086 . 0 0 "[ ]" 1
858 1 92 LEU MD1 1 93 PHE QE 4.100 . 5.330 4.713 4.713 4.713 . 0 0 "[ ]" 1
859 1 92 LEU MD2 1 93 PHE QE 3.400 . 4.420 2.099 2.099 2.099 . 0 0 "[ ]" 1
860 1 92 LEU HB2 1 93 PHE QE 3.700 . 4.810 4.817 4.817 4.817 0.007 1 0 "[ ]" 1
861 1 92 LEU HB3 1 93 PHE QE 3.800 . 4.940 3.284 3.284 3.284 . 0 0 "[ ]" 1
862 1 29 LEU MD1 1 93 PHE QD 3.800 . 4.940 4.143 4.143 4.143 . 0 0 "[ ]" 1
863 1 29 LEU MD2 1 93 PHE QD 3.800 . 4.940 5.072 5.072 5.072 0.132 1 0 "[ ]" 1
864 1 97 HIS HD2 1 99 PHE QD 3.000 . 3.900 3.387 3.387 3.387 . 0 0 "[ ]" 1
865 1 97 HIS HD2 1 99 PHE QE 2.900 . 3.770 3.245 3.245 3.245 . 0 0 "[ ]" 1
866 1 97 HIS HD2 1 99 PHE HZ 3.200 . 4.160 4.162 4.162 4.162 0.002 1 0 "[ ]" 1
867 1 25 LEU QD 1 99 PHE HZ 3.500 . 4.550 2.181 2.181 2.181 . 0 0 "[ ]" 1
868 1 100 TRP HD1 1 103 ILE HB 3.400 . 4.420 3.893 3.893 3.893 . 0 0 "[ ]" 1
869 1 100 TRP HD1 1 103 ILE QG 3.800 . 4.940 4.174 4.174 4.174 . 0 0 "[ ]" 1
870 1 100 TRP HD1 1 103 ILE MD 3.700 . 4.810 3.591 3.591 3.591 . 0 0 "[ ]" 1
871 1 78 ALA MB 1 100 TRP HD1 3.800 . 4.940 4.420 4.420 4.420 . 0 0 "[ ]" 1
872 1 78 ALA HA 1 100 TRP HE3 2.900 . 3.770 3.166 3.166 3.166 . 0 0 "[ ]" 1
873 1 78 ALA MB 1 100 TRP HZ2 3.700 . 4.810 4.211 4.211 4.211 . 0 0 "[ ]" 1
874 1 101 LEU H 1 102 ALA H 3.200 . 4.160 2.830 2.830 2.830 . 0 0 "[ ]" 1
875 1 101 LEU QB 1 102 ALA H 3.900 . 5.070 2.008 2.008 2.008 . 0 0 "[ ]" 1
876 1 101 LEU HG 1 102 ALA H 3.300 . 4.290 4.261 4.261 4.261 . 0 0 "[ ]" 1
877 1 101 LEU HA 1 102 ALA H 3.600 . 4.680 3.560 3.560 3.560 . 0 0 "[ ]" 1
878 1 102 ALA H 1 103 ILE H 3.000 . 3.900 2.936 2.936 2.936 . 0 0 "[ ]" 1
879 1 102 ALA HA 1 103 ILE H 3.600 . 4.680 3.511 3.511 3.511 . 0 0 "[ ]" 1
880 1 102 ALA MB 1 103 ILE H 3.300 . 4.290 2.802 2.802 2.802 . 0 0 "[ ]" 1
881 1 101 LEU HA 1 103 ILE H 3.900 . 5.070 3.984 3.984 3.984 . 0 0 "[ ]" 1
882 1 103 ILE MD 1 104 ASP H 4.200 . 5.460 4.002 4.002 4.002 . 0 0 "[ ]" 1
883 1 103 ILE H 1 104 ASP H 2.500 . 3.250 2.220 2.220 2.220 . 0 0 "[ ]" 1
884 1 103 ILE HA 1 104 ASP H 3.400 . 4.420 3.488 3.488 3.488 . 0 0 "[ ]" 1
885 1 101 LEU HA 1 104 ASP H 3.300 . 4.290 2.995 2.995 2.995 . 0 0 "[ ]" 1
886 1 103 ILE HB 1 104 ASP H 3.000 . 3.900 3.142 3.142 3.142 . 0 0 "[ ]" 1
887 1 103 ILE QG 1 104 ASP H 4.200 . 5.460 4.746 4.746 4.746 . 0 0 "[ ]" 1
888 1 103 ILE MG 1 104 ASP H 3.800 . 4.940 3.467 3.467 3.467 . 0 0 "[ ]" 1
889 1 101 LEU HA 1 105 MET H 2.900 . 3.770 2.112 2.112 2.112 . 0 0 "[ ]" 1
890 1 104 ASP HB2 1 105 MET H 3.300 . 4.290 3.636 3.636 3.636 . 0 0 "[ ]" 1
891 1 104 ASP HB3 1 105 MET H 3.300 . 4.290 2.297 2.297 2.297 . 0 0 "[ ]" 1
892 1 101 LEU QB 1 105 MET H 3.800 . 4.940 3.524 3.524 3.524 . 0 0 "[ ]" 1
893 1 101 LEU HG 1 105 MET H 3.700 . 4.810 4.741 4.741 4.741 . 0 0 "[ ]" 1
894 1 104 ASP H 1 105 MET H 2.800 . 3.640 2.401 2.401 2.401 . 0 0 "[ ]" 1
895 1 105 MET HA 1 106 SER H 2.500 . 3.250 2.302 2.302 2.302 . 0 0 "[ ]" 1
896 1 16 ILE MG 1 106 SER H 3.800 . 4.940 3.252 3.252 3.252 . 0 0 "[ ]" 1
897 1 106 SER HA 1 107 PHE H 2.500 . 3.250 2.154 2.154 2.154 . 0 0 "[ ]" 1
898 1 106 SER QB 1 107 PHE H 3.300 . 4.290 3.471 3.471 3.471 . 0 0 "[ ]" 1
899 1 107 PHE HA 1 108 GLU H 2.700 . 3.510 2.195 2.195 2.195 . 0 0 "[ ]" 1
900 1 107 PHE HB3 1 108 GLU H 3.800 . 4.940 3.504 3.504 3.504 . 0 0 "[ ]" 1
901 1 107 PHE HB2 1 108 GLU H 3.800 . 4.940 4.459 4.459 4.459 . 0 0 "[ ]" 1
902 1 19 ARG HA 1 108 GLU H 3.600 . 4.680 3.990 3.990 3.990 . 0 0 "[ ]" 1
903 1 110 PRO HA 1 111 GLU H 2.500 . 3.250 2.260 2.260 2.260 . 0 0 "[ ]" 1
904 1 111 GLU H 1 126 LYS QB 3.700 . 4.810 2.798 2.798 2.798 . 0 0 "[ ]" 1
905 1 110 PRO QB 1 111 GLU H 3.100 . 4.030 2.877 2.877 2.877 . 0 0 "[ ]" 1
906 1 111 GLU HA 1 112 PHE H 2.200 . 2.860 2.327 2.327 2.327 . 0 0 "[ ]" 1
907 1 111 GLU HG2 1 112 PHE H 3.600 . 4.680 3.469 3.469 3.469 . 0 0 "[ ]" 1
908 1 111 GLU HG3 1 112 PHE H 3.600 . 4.680 1.938 1.938 1.938 . 0 0 "[ ]" 1
909 1 111 GLU QB 1 112 PHE H 3.200 . 4.160 3.511 3.511 3.511 . 0 0 "[ ]" 1
910 1 113 GLU H 1 125 VAL QG 3.800 . 4.940 4.160 4.160 4.160 . 0 0 "[ ]" 1
911 1 112 PHE HA 1 113 GLU H 2.300 . 2.990 2.083 2.083 2.083 . 0 0 "[ ]" 1
912 1 113 GLU H 1 125 VAL HA 3.300 . 4.290 3.504 3.504 3.504 . 0 0 "[ ]" 1
913 1 112 PHE HB2 1 113 GLU H 3.100 . 4.030 3.121 3.121 3.121 . 0 0 "[ ]" 1
914 1 112 PHE HB3 1 113 GLU H 3.200 . 4.160 4.227 4.227 4.227 0.067 1 0 "[ ]" 1
915 1 113 GLU HA 1 114 ILE H 2.300 . 2.990 2.337 2.337 2.337 . 0 0 "[ ]" 1
916 1 113 GLU HB2 1 114 ILE H 2.900 . 3.770 3.506 3.506 3.506 . 0 0 "[ ]" 1
917 1 113 GLU QB 1 114 ILE H 3.400 . 4.420 2.186 2.186 2.186 . 0 0 "[ ]" 1
918 1 115 VAL H 1 122 ASN HB2 3.700 . 4.810 3.336 3.336 3.336 . 0 0 "[ ]" 1
919 1 114 ILE QG 1 115 VAL H 3.700 . 4.810 4.388 4.388 4.388 . 0 0 "[ ]" 1
920 1 114 ILE HA 1 115 VAL H 2.400 . 3.120 2.109 2.109 2.109 . 0 0 "[ ]" 1
921 1 115 VAL H 1 122 ASN HB3 3.700 . 4.810 3.190 3.190 3.190 . 0 0 "[ ]" 1
922 1 114 ILE HB 1 115 VAL H 3.000 . 3.900 3.555 3.555 3.555 . 0 0 "[ ]" 1
923 1 114 ILE MG 1 115 VAL H 3.400 . 4.420 3.864 3.864 3.864 . 0 0 "[ ]" 1
924 1 115 VAL H 1 123 VAL HA 3.700 . 4.810 3.509 3.509 3.509 . 0 0 "[ ]" 1
925 1 115 VAL HA 1 116 GLY H 2.300 . 2.990 2.163 2.163 2.163 . 0 0 "[ ]" 1
926 1 115 VAL HB 1 116 GLY H 3.600 . 4.680 4.119 4.119 4.119 . 0 0 "[ ]" 1
927 1 115 VAL MG1 1 116 GLY H 30.300 . 39.390 2.439 2.439 2.439 . 0 0 "[ ]" 1
928 1 115 VAL MG2 1 116 GLY H 3.100 . 4.030 4.112 4.112 4.112 0.082 1 0 "[ ]" 1
929 1 117 PHE H 1 121 ILE HA 3.200 . 4.160 2.838 2.838 2.838 . 0 0 "[ ]" 1
930 1 116 GLY HA2 1 117 PHE H 2.900 . 3.770 2.097 2.097 2.097 . 0 0 "[ ]" 1
931 1 116 GLY HA3 1 117 PHE H 2.900 . 3.770 3.124 3.124 3.124 . 0 0 "[ ]" 1
932 1 117 PHE HA 1 118 THR H 3.200 . 4.160 2.321 2.321 2.321 . 0 0 "[ ]" 1
933 1 117 PHE QB 1 118 THR H 3.800 . 4.940 2.637 2.637 2.637 . 0 0 "[ ]" 1
934 1 117 PHE H 1 120 HIS H 3.400 . 4.420 3.308 3.308 3.308 . 0 0 "[ ]" 1
935 1 119 ASN QB 1 120 HIS H 3.700 . 4.810 3.681 3.681 3.681 . 0 0 "[ ]" 1
936 1 120 HIS HB3 1 121 ILE H 3.200 . 4.160 3.404 3.404 3.404 . 0 0 "[ ]" 1
937 1 121 ILE H 1 169 ILE MD 3.800 . 4.940 4.687 4.687 4.687 . 0 0 "[ ]" 1
938 1 121 ILE H 1 173 LEU QD 4.100 . 5.330 3.121 3.121 3.121 . 0 0 "[ ]" 1
939 1 121 ILE H 1 170 ILE MD 4.100 . 5.330 5.334 5.334 5.334 0.004 1 0 "[ ]" 1
940 1 121 ILE H 1 170 ILE HB 3.300 . 4.290 3.848 3.848 3.848 . 0 0 "[ ]" 1
941 1 120 HIS HA 1 121 ILE H 2.200 . 2.860 2.483 2.483 2.483 . 0 0 "[ ]" 1
942 1 121 ILE H 1 171 ASP HA 3.600 . 4.680 2.907 2.907 2.907 . 0 0 "[ ]" 1
943 1 115 VAL H 1 122 ASN H 3.100 . 4.030 3.564 3.564 3.564 . 0 0 "[ ]" 1
944 1 121 ILE HA 1 122 ASN H 2.300 . 2.990 2.176 2.176 2.176 . 0 0 "[ ]" 1
945 1 116 GLY QA 1 122 ASN H 4.000 . 5.200 2.626 2.626 2.626 . 0 0 "[ ]" 1
946 1 121 ILE HB 1 122 ASN H 4.000 . 5.200 3.971 3.971 3.971 . 0 0 "[ ]" 1
947 1 121 ILE MG 1 122 ASN H 3.200 . 4.160 2.245 2.245 2.245 . 0 0 "[ ]" 1
948 1 122 ASN H 1 169 ILE MG 4.100 . 5.330 4.354 4.354 4.354 . 0 0 "[ ]" 1
949 1 122 ASN HA 1 123 VAL H 2.200 . 2.860 2.167 2.167 2.167 . 0 0 "[ ]" 1
950 1 123 VAL H 1 169 ILE HA 3.300 . 4.290 2.601 2.601 2.601 . 0 0 "[ ]" 1
951 1 122 ASN HB2 1 123 VAL H 3.700 . 4.810 4.590 4.590 4.590 . 0 0 "[ ]" 1
952 1 122 ASN HB3 1 123 VAL H 3.800 . 4.940 3.947 3.947 3.947 . 0 0 "[ ]" 1
953 1 123 VAL H 1 169 ILE QG 4.700 . 6.110 4.396 4.396 4.396 . 0 0 "[ ]" 1
954 1 123 VAL H 1 169 ILE MG 4.200 . 5.460 4.176 4.176 4.176 . 0 0 "[ ]" 1
955 1 114 ILE HA 1 124 MET H 3.200 . 4.160 2.907 2.907 2.907 . 0 0 "[ ]" 1
956 1 114 ILE MG 1 124 MET H 4.100 . 5.330 2.365 2.365 2.365 . 0 0 "[ ]" 1
957 1 123 VAL HB 1 124 MET H 3.900 . 5.070 4.025 4.025 4.025 . 0 0 "[ ]" 1
958 1 123 VAL HA 1 124 MET H 2.400 . 3.120 2.174 2.174 2.174 . 0 0 "[ ]" 1
959 1 123 VAL MG2 1 124 MET H 3.100 . 4.030 4.034 4.034 4.034 0.004 1 0 "[ ]" 1
960 1 123 VAL MG1 1 124 MET H 3.000 . 3.900 2.167 2.167 2.167 . 0 0 "[ ]" 1
961 1 124 MET QB 1 125 VAL H 3.600 . 4.680 3.753 3.753 3.753 . 0 0 "[ ]" 1
962 1 124 MET HA 1 125 VAL H 2.300 . 2.990 2.138 2.138 2.138 . 0 0 "[ ]" 1
963 1 125 VAL H 1 167 THR HA 3.200 . 4.160 4.018 4.018 4.018 . 0 0 "[ ]" 1
964 1 125 VAL H 1 183 VAL QG 4.100 . 5.330 4.757 4.757 4.757 . 0 0 "[ ]" 1
965 1 124 MET QG 1 125 VAL H 4.600 . 5.980 3.189 3.189 3.189 . 0 0 "[ ]" 1
966 1 112 PHE HA 1 126 LYS H 3.100 . 4.030 2.320 2.320 2.320 . 0 0 "[ ]" 1
967 1 125 VAL HB 1 126 LYS H 3.400 . 4.420 4.230 4.230 4.230 . 0 0 "[ ]" 1
968 1 125 VAL HA 1 126 LYS H 2.200 . 2.860 2.094 2.094 2.094 . 0 0 "[ ]" 1
969 1 112 PHE HB3 1 126 LYS H 3.900 . 5.070 3.353 3.353 3.353 . 0 0 "[ ]" 1
970 1 112 PHE HB2 1 126 LYS H 4.100 . 5.330 3.383 3.383 3.383 . 0 0 "[ ]" 1
971 1 126 LYS H 1 183 VAL QG 3.300 . 4.290 4.381 4.381 4.381 0.091 1 0 "[ ]" 1
972 1 126 LYS QB 1 127 PHE H 3.800 . 4.940 3.782 3.782 3.782 . 0 0 "[ ]" 1
973 1 127 PHE H 1 165 ASN HA 3.000 . 3.900 3.781 3.781 3.781 . 0 0 "[ ]" 1
974 1 127 PHE H 1 183 VAL QG 4.400 . 5.720 5.789 5.789 5.789 0.069 1 0 "[ ]" 1
975 1 126 LYS HA 1 127 PHE H 2.400 . 3.120 2.279 2.279 2.279 . 0 0 "[ ]" 1
976 1 126 LYS QG 1 127 PHE H 3.800 . 4.940 4.444 4.444 4.444 . 0 0 "[ ]" 1
977 1 129 SER HA 1 130 ILE H 2.800 . 3.640 2.181 2.181 2.181 . 0 0 "[ ]" 1
978 1 129 SER HB2 1 130 ILE H 3.100 . 4.030 3.875 3.875 3.875 . 0 0 "[ ]" 1
979 1 129 SER QB 1 130 ILE H 3.000 . 3.900 3.618 3.618 3.618 . 0 0 "[ ]" 1
980 1 128 PRO QB 1 130 ILE H 3.400 . 4.420 4.459 4.459 4.459 0.039 1 0 "[ ]" 1
981 1 130 ILE HA 1 131 VAL H 2.400 . 3.120 2.248 2.248 2.248 . 0 0 "[ ]" 1
982 1 130 ILE HB 1 131 VAL H 3.200 . 4.160 3.921 3.921 3.921 . 0 0 "[ ]" 1
983 1 130 ILE MD 1 131 VAL H 4.600 . 5.980 2.844 2.844 2.844 . 0 0 "[ ]" 1
984 1 130 ILE QG 1 131 VAL H 4.500 . 5.850 2.059 2.059 2.059 . 0 0 "[ ]" 1
985 1 131 VAL HA 1 132 GLU H 2.700 . 3.510 2.183 2.183 2.183 . 0 0 "[ ]" 1
986 1 131 VAL QG 1 132 GLU H 3.600 . 4.680 3.132 3.132 3.132 . 0 0 "[ ]" 1
987 1 131 VAL H 1 132 GLU H 3.900 . 5.070 4.081 4.081 4.081 . 0 0 "[ ]" 1
988 1 132 GLU HA 1 133 GLU H 2.800 . 3.640 3.435 3.435 3.435 . 0 0 "[ ]" 1
989 1 132 GLU QG 1 133 GLU H 3.200 . 4.160 2.396 2.396 2.396 . 0 0 "[ ]" 1
990 1 131 VAL QG 1 133 GLU H 3.400 . 4.420 1.979 1.979 1.979 . 0 0 "[ ]" 1
991 1 132 GLU HB3 1 133 GLU H 3.000 . 3.900 3.943 3.943 3.943 0.043 1 0 "[ ]" 1
992 1 132 GLU HB2 1 133 GLU H 3.000 . 3.900 4.059 4.059 4.059 0.159 1 0 "[ ]" 1
993 1 132 GLU H 1 133 GLU H 3.200 . 4.160 2.940 2.940 2.940 . 0 0 "[ ]" 1
994 1 133 GLU H 1 134 GLU H 4.100 . 5.330 2.695 2.695 2.695 . 0 0 "[ ]" 1
995 1 133 GLU HA 1 134 GLU H 3.900 . 5.070 3.336 3.336 3.336 . 0 0 "[ ]" 1
996 1 132 GLU HA 1 134 GLU H 3.800 . 4.940 3.300 3.300 3.300 . 0 0 "[ ]" 1
997 1 134 GLU HA 1 135 LEU H 2.500 . 3.250 2.921 2.921 2.921 . 0 0 "[ ]" 1
998 1 132 GLU HA 1 135 LEU H 4.000 . 5.200 3.184 3.184 3.184 . 0 0 "[ ]" 1
999 1 134 GLU QB 1 135 LEU H 3.700 . 4.680 3.728 3.728 3.728 . 0 0 "[ ]" 1
1000 1 134 GLU QG 1 135 LEU H 3.700 . 4.810 4.498 4.498 4.498 . 0 0 "[ ]" 1
1001 1 134 GLU H 1 135 LEU H 3.100 . 4.030 2.207 2.207 2.207 . 0 0 "[ ]" 1
1002 1 135 LEU H 1 136 GLN H 3.700 . 4.810 4.407 4.407 4.407 . 0 0 "[ ]" 1
1003 1 135 LEU HA 1 136 GLN H 2.400 . 3.120 2.167 2.167 2.167 . 0 0 "[ ]" 1
1004 1 135 LEU QB 1 136 GLN H 3.100 . 4.030 3.787 3.787 3.787 . 0 0 "[ ]" 1
1005 1 135 LEU QD 1 136 GLN H 3.900 . 5.070 3.483 3.483 3.483 . 0 0 "[ ]" 1
1006 1 136 GLN H 1 137 PHE H 2.800 . 3.640 2.579 2.579 2.579 . 0 0 "[ ]" 1
1007 1 135 LEU HA 1 137 PHE H 3.200 . 4.160 3.553 3.553 3.553 . 0 0 "[ ]" 1
1008 1 135 LEU QB 1 137 PHE H 3.000 . 3.900 3.619 3.619 3.619 . 0 0 "[ ]" 1
1009 1 136 GLN HA 1 137 PHE H 2.700 . 3.510 3.206 3.206 3.206 . 0 0 "[ ]" 1
1010 1 136 GLN HG2 1 137 PHE H 3.900 . 5.070 5.080 5.080 5.080 0.010 1 0 "[ ]" 1
1011 1 136 GLN HG3 1 137 PHE H 3.900 . 5.070 5.080 5.080 5.080 0.010 1 0 "[ ]" 1
1012 1 136 GLN HB2 1 137 PHE H 3.200 . 4.160 4.181 4.181 4.181 0.021 1 0 "[ ]" 1
1013 1 136 GLN HB3 1 137 PHE H 2.900 . 3.770 3.700 3.700 3.700 . 0 0 "[ ]" 1
1014 1 139 LEU HA 1 140 SER H 2.400 . 3.120 2.320 2.320 2.320 . 0 0 "[ ]" 1
1015 1 139 LEU HB2 1 140 SER H 3.300 . 4.290 2.868 2.868 2.868 . 0 0 "[ ]" 1
1016 1 139 LEU HB3 1 140 SER H 3.300 . 4.290 4.084 4.084 4.084 . 0 0 "[ ]" 1
1017 1 139 LEU MD2 1 140 SER H 3.600 . 4.680 3.818 3.818 3.818 . 0 0 "[ ]" 1
1018 1 139 LEU MD1 1 140 SER H 3.200 . 4.160 4.199 4.199 4.199 0.039 1 0 "[ ]" 1
1019 1 139 LEU HG 1 140 SER H 3.600 . 4.680 2.971 2.971 2.971 . 0 0 "[ ]" 1
1020 1 141 LEU H 1 158 ILE HB 3.400 . 4.420 4.267 4.267 4.267 . 0 0 "[ ]" 1
1021 1 140 SER QB 1 141 LEU H 3.300 . 4.290 1.945 1.945 1.945 . 0 0 "[ ]" 1
1022 1 141 LEU H 1 158 ILE HG13 3.100 . 4.030 2.056 2.056 2.056 . 0 0 "[ ]" 1
1023 1 141 LEU H 1 158 ILE HG12 3.300 . 4.290 2.321 2.321 2.321 . 0 0 "[ ]" 1
1024 1 141 LEU H 1 158 ILE MG 3.700 . 4.810 3.887 3.887 3.887 . 0 0 "[ ]" 1
1025 1 141 LEU H 1 158 ILE MD 4.100 . 5.330 1.803 1.803 1.803 . 0 0 "[ ]" 1
1026 1 142 VAL H 1 185 LEU HA 3.300 . 4.290 2.601 2.601 2.601 . 0 0 "[ ]" 1
1027 1 141 LEU HA 1 142 VAL H 2.300 . 2.990 2.206 2.206 2.206 . 0 0 "[ ]" 1
1028 1 141 LEU HG 1 142 VAL H 3.800 . 4.940 4.109 4.109 4.109 . 0 0 "[ ]" 1
1029 1 142 VAL H 1 183 VAL QG 4.500 . 5.850 3.984 3.984 3.984 . 0 0 "[ ]" 1
1030 1 141 LEU QB 1 142 VAL H 4.000 . 5.200 3.444 3.444 3.444 . 0 0 "[ ]" 1
1031 1 141 LEU QD 1 142 VAL H 3.200 . 4.160 1.878 1.878 1.878 . 0 0 "[ ]" 1
1032 1 142 VAL H 1 158 ILE MD 3.300 . 4.290 4.494 4.494 4.494 0.204 1 0 "[ ]" 1
1033 1 142 VAL HB 1 143 ILE H 3.300 . 4.290 4.220 4.220 4.220 . 0 0 "[ ]" 1
1034 1 142 VAL QG 1 143 ILE H 3.000 . 3.900 2.936 2.936 2.936 . 0 0 "[ ]" 1
1035 1 143 ILE H 1 154 HIS HB2 3.600 . 4.680 2.802 2.802 2.802 . 0 0 "[ ]" 1
1036 1 143 ILE H 1 154 HIS HB3 3.600 . 4.680 3.639 3.639 3.639 . 0 0 "[ ]" 1
1037 1 143 ILE H 1 155 LYS HA 3.800 . 4.940 3.049 3.049 3.049 . 0 0 "[ ]" 1
1038 1 143 ILE H 1 158 ILE MD 4.000 . 5.200 5.246 5.246 5.246 0.046 1 0 "[ ]" 1
1039 1 144 GLU H 1 183 VAL HA 3.100 . 4.030 3.791 3.791 3.791 . 0 0 "[ ]" 1
1040 1 143 ILE HA 1 144 GLU H 2.200 . 2.860 2.223 2.223 2.223 . 0 0 "[ ]" 1
1041 1 143 ILE HB 1 144 GLU H 3.800 . 4.940 4.073 4.073 4.073 . 0 0 "[ ]" 1
1042 1 143 ILE MG 1 144 GLU H 3.200 . 4.160 3.519 3.519 3.519 . 0 0 "[ ]" 1
1043 1 143 ILE MD 1 144 GLU H 3.800 . 4.940 4.558 4.558 4.558 . 0 0 "[ ]" 1
1044 1 145 GLU H 1 153 LYS HA 3.200 . 4.160 3.356 3.356 3.356 . 0 0 "[ ]" 1
1045 1 144 GLU QB 1 145 GLU H 3.600 . 4.680 3.453 3.453 3.453 . 0 0 "[ ]" 1
1046 1 144 GLU HA 1 145 GLU H 2.200 . 2.860 2.139 2.139 2.139 . 0 0 "[ ]" 1
1047 1 145 GLU QB 1 146 GLN H 3.800 . 4.940 3.913 3.913 3.913 . 0 0 "[ ]" 1
1048 1 145 GLU HA 1 146 GLN H 2.300 . 2.990 2.161 2.161 2.161 . 0 0 "[ ]" 1
1049 1 146 GLN H 1 181 VAL HA 3.200 . 4.160 3.358 3.358 3.358 . 0 0 "[ ]" 1
1050 1 146 GLN QG 1 147 SER H 3.300 . 4.290 4.313 4.313 4.313 0.023 1 0 "[ ]" 1
1051 1 146 GLN HB2 1 147 SER H 3.400 . 4.420 4.590 4.590 4.590 0.170 1 0 "[ ]" 1
1052 1 146 GLN HB3 1 147 SER H 3.400 . 4.420 4.297 4.297 4.297 . 0 0 "[ ]" 1
1053 1 146 GLN HA 1 147 SER H 2.200 . 2.860 2.441 2.441 2.441 . 0 0 "[ ]" 1
1054 1 147 SER H 1 151 VAL HA 3.100 . 4.030 4.011 4.011 4.011 . 0 0 "[ ]" 1
1055 1 147 SER H 1 179 TYR QD 4.400 . 5.720 4.892 4.892 4.892 . 0 0 "[ ]" 1
1056 1 147 SER QB 1 148 GLU H 4.700 . 6.110 3.186 3.186 3.186 . 0 0 "[ ]" 1
1057 1 147 SER HA 1 148 GLU H 3.300 . 4.290 2.079 2.079 2.079 . 0 0 "[ ]" 1
1058 1 148 GLU HB2 1 149 GLY H 3.900 . 5.070 4.626 4.626 4.626 . 0 0 "[ ]" 1
1059 1 148 GLU HA 1 149 GLY H 3.000 . 3.900 2.796 2.796 2.796 . 0 0 "[ ]" 1
1060 1 148 GLU QB 1 149 GLY H 3.900 . 5.070 3.935 3.935 3.935 . 0 0 "[ ]" 1
1061 1 149 GLY H 1 150 ILE H 2.700 . 3.510 2.662 2.662 2.662 . 0 0 "[ ]" 1
1062 1 149 GLY HA2 1 150 ILE H 3.100 . 4.030 3.390 3.390 3.390 . 0 0 "[ ]" 1
1063 1 149 GLY HA3 1 150 ILE H 3.100 . 4.030 3.190 3.190 3.190 . 0 0 "[ ]" 1
1064 1 146 GLN QG 1 150 ILE H 3.900 . 5.070 4.925 4.925 4.925 . 0 0 "[ ]" 1
1065 1 147 SER H 1 150 ILE H 2.900 . 3.770 3.834 3.834 3.834 0.064 1 0 "[ ]" 1
1066 1 150 ILE HG13 1 151 VAL H 4.000 . 5.200 4.946 4.946 4.946 . 0 0 "[ ]" 1
1067 1 150 ILE HG12 1 151 VAL H 4.100 . 5.330 5.332 5.332 5.332 0.002 1 0 "[ ]" 1
1068 1 150 ILE MG 1 151 VAL H 3.200 . 4.160 2.895 2.895 2.895 . 0 0 "[ ]" 1
1069 1 150 ILE HA 1 151 VAL H 2.400 . 3.120 2.135 2.135 2.135 . 0 0 "[ ]" 1
1070 1 150 ILE HB 1 151 VAL H 3.000 . 3.900 3.942 3.942 3.942 0.042 1 0 "[ ]" 1
1071 1 146 GLN HA 1 152 LYS H 3.200 . 4.160 3.285 3.285 3.285 . 0 0 "[ ]" 1
1072 1 151 VAL HA 1 152 LYS H 2.300 . 2.990 2.189 2.189 2.189 . 0 0 "[ ]" 1
1073 1 145 GLU QB 1 152 LYS H 3.400 . 4.420 3.709 3.709 3.709 . 0 0 "[ ]" 1
1074 1 151 VAL HB 1 152 LYS H 3.200 . 4.160 3.927 3.927 3.927 . 0 0 "[ ]" 1
1075 1 151 VAL QG 1 152 LYS H 2.800 . 3.640 2.134 2.134 2.134 . 0 0 "[ ]" 1
1076 1 144 GLU HA 1 152 LYS H 3.300 . 4.290 4.329 4.329 4.329 0.039 1 0 "[ ]" 1
1077 1 144 GLU QG 1 152 LYS H 4.000 . 5.200 4.219 4.219 4.219 . 0 0 "[ ]" 1
1078 1 145 GLU H 1 152 LYS H 3.200 . 4.160 3.064 3.064 3.064 . 0 0 "[ ]" 1
1079 1 152 LYS QB 1 153 LYS H 3.000 . 3.900 3.104 3.104 3.104 . 0 0 "[ ]" 1
1080 1 152 LYS HA 1 153 LYS H 2.200 . 2.860 2.354 2.354 2.354 . 0 0 "[ ]" 1
1081 1 143 ILE H 1 154 HIS H 3.300 . 4.290 3.568 3.568 3.568 . 0 0 "[ ]" 1
1082 1 144 GLU HA 1 154 HIS H 3.200 . 4.160 2.427 2.427 2.427 . 0 0 "[ ]" 1
1083 1 153 LYS QB 1 154 HIS H 3.800 . 4.420 3.586 3.586 3.586 . 0 0 "[ ]" 1
1084 1 153 LYS HA 1 154 HIS H 2.200 . 2.860 2.148 2.148 2.148 . 0 0 "[ ]" 1
1085 1 142 VAL QG 1 154 HIS H 3.300 . 4.290 2.981 2.981 2.981 . 0 0 "[ ]" 1
1086 1 154 HIS HA 1 155 LYS H 2.300 . 2.990 2.272 2.272 2.272 . 0 0 "[ ]" 1
1087 1 157 GLU HA 1 158 ILE H 2.300 . 2.990 2.148 2.148 2.148 . 0 0 "[ ]" 1
1088 1 157 GLU HG3 1 158 ILE H 3.400 . 4.420 3.668 3.668 3.668 . 0 0 "[ ]" 1
1089 1 157 GLU HG2 1 158 ILE H 4.200 . 5.460 3.892 3.892 3.892 . 0 0 "[ ]" 1
1090 1 157 GLU QB 1 158 ILE H 3.900 . 5.070 3.650 3.650 3.650 . 0 0 "[ ]" 1
1091 1 158 ILE MG 1 159 LYS H 3.900 . 5.070 4.243 4.243 4.243 . 0 0 "[ ]" 1
1092 1 158 ILE HA 1 159 LYS H 3.100 . 4.030 3.074 3.074 3.074 . 0 0 "[ ]" 1
1093 1 159 LYS HA 1 160 GLY H 3.800 . 4.940 2.459 2.459 2.459 . 0 0 "[ ]" 1
1094 1 160 GLY HA2 1 161 ASN H 3.600 . 4.680 3.131 3.131 3.131 . 0 0 "[ ]" 1
1095 1 160 GLY HA3 1 161 ASN H 3.300 . 4.290 3.401 3.401 3.401 . 0 0 "[ ]" 1
1096 1 161 ASN H 1 162 MET H 3.800 . 4.940 2.092 2.092 2.092 . 0 0 "[ ]" 1
1097 1 161 ASN HA 1 162 MET H 3.100 . 4.030 3.410 3.410 3.410 . 0 0 "[ ]" 1
1098 1 162 MET HA 1 163 SER H 3.100 . 4.030 2.814 2.814 2.814 . 0 0 "[ ]" 1
1099 1 162 MET QB 1 163 SER H 4.600 . 5.980 3.859 3.859 3.859 . 0 0 "[ ]" 1
1100 1 127 PHE HB3 1 164 GLY H 3.800 . 4.940 3.255 3.255 3.255 . 0 0 "[ ]" 1
1101 1 127 PHE HB2 1 164 GLY H 3.800 . 4.940 2.225 2.225 2.225 . 0 0 "[ ]" 1
1102 1 164 GLY HA2 1 165 ASN H 3.100 . 4.030 3.152 3.152 3.152 . 0 0 "[ ]" 1
1103 1 164 GLY HA3 1 165 ASN H 2.900 . 3.770 2.176 2.176 2.176 . 0 0 "[ ]" 1
1104 1 125 VAL H 1 166 PHE H 3.300 . 4.160 3.648 3.648 3.648 . 0 0 "[ ]" 1
1105 1 165 ASN HA 1 166 PHE H 2.200 . 2.860 2.357 2.357 2.357 . 0 0 "[ ]" 1
1106 1 165 ASN HB2 1 166 PHE H 3.600 . 4.680 4.213 4.213 4.213 . 0 0 "[ ]" 1
1107 1 165 ASN HB3 1 166 PHE H 3.600 . 4.680 4.427 4.427 4.427 . 0 0 "[ ]" 1
1108 1 126 LYS HA 1 166 PHE H 3.200 . 3.900 2.855 2.855 2.855 . 0 0 "[ ]" 1
1109 1 166 PHE HA 1 167 THR H 2.400 . 3.120 2.242 2.242 2.242 . 0 0 "[ ]" 1
1110 1 166 PHE HB2 1 167 THR H 3.300 . 4.290 4.372 4.372 4.372 0.082 1 0 "[ ]" 1
1111 1 166 PHE HB3 1 167 THR H 3.400 . 4.420 3.830 3.830 3.830 . 0 0 "[ ]" 1
1112 1 125 VAL QG 1 168 TYR H 3.800 . 4.940 4.431 4.431 4.431 . 0 0 "[ ]" 1
1113 1 123 VAL H 1 168 TYR H 3.100 . 4.030 3.720 3.720 3.720 . 0 0 "[ ]" 1
1114 1 167 THR HA 1 168 TYR H 2.300 . 2.990 2.194 2.194 2.194 . 0 0 "[ ]" 1
1115 1 167 THR HB 1 168 TYR H 3.400 . 4.420 4.126 4.126 4.126 . 0 0 "[ ]" 1
1116 1 167 THR MG 1 168 TYR H 3.000 . 3.900 3.272 3.272 3.272 . 0 0 "[ ]" 1
1117 1 168 TYR HA 1 169 ILE H 2.200 . 2.860 2.269 2.269 2.269 . 0 0 "[ ]" 1
1118 1 168 TYR HB3 1 169 ILE H 3.600 . 4.680 4.026 4.026 4.026 . 0 0 "[ ]" 1
1119 1 168 TYR HB2 1 169 ILE H 3.400 . 4.420 4.065 4.065 4.065 . 0 0 "[ ]" 1
1120 1 169 ILE HA 1 170 ILE H 2.200 . 2.860 2.134 2.134 2.134 . 0 0 "[ ]" 1
1121 1 169 ILE HB 1 170 ILE H 3.600 . 4.680 4.244 4.244 4.244 . 0 0 "[ ]" 1
1122 1 169 ILE QG 1 170 ILE H 4.000 . 5.200 4.768 4.768 4.768 . 0 0 "[ ]" 1
1123 1 122 ASN HA 1 170 ILE H 3.400 . 4.420 3.790 3.790 3.790 . 0 0 "[ ]" 1
1124 1 169 ILE MG 1 170 ILE H 3.400 . 4.420 2.795 2.795 2.795 . 0 0 "[ ]" 1
1125 1 170 ILE HB 1 171 ASP H 3.700 . 4.810 4.075 4.075 4.075 . 0 0 "[ ]" 1
1126 1 170 ILE QG 1 171 ASP H 3.200 . 4.160 3.117 3.117 3.117 . 0 0 "[ ]" 1
1127 1 170 ILE HA 1 171 ASP H 2.400 . 3.120 2.107 2.107 2.107 . 0 0 "[ ]" 1
1128 1 169 ILE MG 1 171 ASP H 3.800 . 4.940 3.714 3.714 3.714 . 0 0 "[ ]" 1
1129 1 170 ILE MD 1 171 ASP H 4.000 . 5.200 5.430 5.430 5.430 0.230 1 0 "[ ]" 1
1130 1 171 ASP HA 1 172 LYS H 3.000 . 3.900 2.761 2.761 2.761 . 0 0 "[ ]" 1
1131 1 171 ASP HB2 1 172 LYS H 3.100 . 4.030 2.136 2.136 2.136 . 0 0 "[ ]" 1
1132 1 171 ASP HB3 1 172 LYS H 3.100 . 4.030 3.558 3.558 3.558 . 0 0 "[ ]" 1
1133 1 120 HIS HB3 1 172 LYS H 3.800 . 4.940 4.181 4.181 4.181 . 0 0 "[ ]" 1
1134 1 120 HIS HB2 1 172 LYS H 4.000 . 5.200 5.222 5.222 5.222 0.022 1 0 "[ ]" 1
1135 1 171 ASP H 1 172 LYS H 4.200 . 5.460 4.348 4.348 4.348 . 0 0 "[ ]" 1
1136 1 120 HIS QB 1 173 LEU H 3.900 . 5.070 4.750 4.750 4.750 . 0 0 "[ ]" 1
1137 1 172 LYS H 1 173 LEU H 3.100 . 4.030 2.619 2.619 2.619 . 0 0 "[ ]" 1
1138 1 120 HIS HA 1 173 LEU H 3.700 . 4.810 3.977 3.977 3.977 . 0 0 "[ ]" 1
1139 1 171 ASP HA 1 173 LEU H 3.400 . 4.420 3.615 3.615 3.615 . 0 0 "[ ]" 1
1140 1 171 ASP QB 1 173 LEU H 4.000 . 5.200 4.175 4.175 4.175 . 0 0 "[ ]" 1
1141 1 172 LYS HA 1 173 LEU H 2.800 . 3.640 2.759 2.759 2.759 . 0 0 "[ ]" 1
1142 1 172 LYS HB3 1 173 LEU H 4.000 . 5.200 4.310 4.310 4.310 . 0 0 "[ ]" 1
1143 1 172 LYS HB2 1 173 LEU H 4.000 . 5.200 4.369 4.369 4.369 . 0 0 "[ ]" 1
1144 1 119 ASN HA 1 173 LEU H 3.700 . 4.810 4.815 4.815 4.815 0.005 1 0 "[ ]" 1
1145 1 119 ASN QB 1 173 LEU H 4.400 . 5.720 5.087 5.087 5.087 . 0 0 "[ ]" 1
1146 1 119 ASN QD 1 174 ILE H 3.400 . 4.420 4.443 4.443 4.443 0.023 1 0 "[ ]" 1
1147 1 173 LEU HB2 1 174 ILE H 3.100 . 4.030 3.408 3.408 3.408 . 0 0 "[ ]" 1
1148 1 173 LEU MD2 1 174 ILE H 4.100 . 5.330 4.137 4.137 4.137 . 0 0 "[ ]" 1
1149 1 173 LEU MD1 1 174 ILE H 4.700 . 6.110 4.827 4.827 4.827 . 0 0 "[ ]" 1
1150 1 173 LEU HA 1 174 ILE H 3.100 . 4.030 2.346 2.346 2.346 . 0 0 "[ ]" 1
1151 1 176 ASN HB2 1 177 THR H 3.900 . 5.070 4.590 4.590 4.590 . 0 0 "[ ]" 1
1152 1 176 ASN HA 1 177 THR H 2.700 . 3.510 2.427 2.427 2.427 . 0 0 "[ ]" 1
1153 1 176 ASN HB3 1 177 THR H 3.800 . 4.940 4.479 4.479 4.479 . 0 0 "[ ]" 1
1154 1 148 GLU QG 1 177 THR H 4.000 . 5.200 5.208 5.208 5.208 0.008 1 0 "[ ]" 1
1155 1 177 THR H 1 202 LEU MD1 3.000 . 3.900 1.768 1.768 1.768 0.032 1 0 "[ ]" 1
1156 1 177 THR H 1 202 LEU MD2 3.100 . 4.030 4.111 4.111 4.111 0.081 1 0 "[ ]" 1
1157 1 176 ASN H 1 177 THR H 2.900 . 3.770 2.910 2.910 2.910 . 0 0 "[ ]" 1
1158 1 148 GLU QB 1 177 THR H 3.600 . 4.680 4.726 4.726 4.726 0.046 1 0 "[ ]" 1
1159 1 177 THR H 1 202 LEU HA 3.700 . 4.810 4.143 4.143 4.143 . 0 0 "[ ]" 1
1160 1 176 ASN QB 1 177 THR H 4.600 . 5.980 4.038 4.038 4.038 . 0 0 "[ ]" 1
1161 1 178 ASN H 1 179 TYR QE 4.700 . 6.110 6.050 6.050 6.050 . 0 0 "[ ]" 1
1162 1 177 THR HA 1 178 ASN H 2.300 . 2.990 2.425 2.425 2.425 . 0 0 "[ ]" 1
1163 1 177 THR HB 1 178 ASN H 3.400 . 4.420 4.322 4.322 4.322 . 0 0 "[ ]" 1
1164 1 178 ASN H 1 202 LEU MD1 3.400 . 4.420 1.969 1.969 1.969 . 0 0 "[ ]" 1
1165 1 178 ASN H 1 202 LEU MD2 3.800 . 4.940 3.497 3.497 3.497 . 0 0 "[ ]" 1
1166 1 178 ASN HB2 1 179 TYR H 3.400 . 4.420 3.715 3.715 3.715 . 0 0 "[ ]" 1
1167 1 178 ASN HB3 1 179 TYR H 3.600 . 4.680 4.466 4.466 4.466 . 0 0 "[ ]" 1
1168 1 179 TYR H 1 202 LEU HA 3.200 . 4.160 3.188 3.188 3.188 . 0 0 "[ ]" 1
1169 1 178 ASN HA 1 179 TYR H 2.200 . 2.860 2.197 2.197 2.197 . 0 0 "[ ]" 1
1170 1 146 GLN H 1 180 CYS H 3.100 . 4.030 3.010 3.010 3.010 . 0 0 "[ ]" 1
1171 1 179 TYR HA 1 180 CYS H 2.200 . 2.860 2.114 2.114 2.114 . 0 0 "[ ]" 1
1172 1 179 TYR QB 1 180 CYS H 3.300 . 4.290 2.915 2.915 2.915 . 0 0 "[ ]" 1
1173 1 179 TYR QD 1 180 CYS H 3.800 . 4.940 4.311 4.311 4.311 . 0 0 "[ ]" 1
1174 1 147 SER QB 1 180 CYS H 4.100 . 5.330 4.819 4.819 4.819 . 0 0 "[ ]" 1
1175 1 147 SER HA 1 180 CYS H 3.700 . 4.810 3.698 3.698 3.698 . 0 0 "[ ]" 1
1176 1 181 VAL H 1 200 CYS HA 3.000 . 3.900 3.525 3.525 3.525 . 0 0 "[ ]" 1
1177 1 180 CYS HA 1 181 VAL H 2.300 . 2.990 2.166 2.166 2.166 . 0 0 "[ ]" 1
1178 1 180 CYS QB 1 181 VAL H 3.600 . 4.680 3.662 3.662 3.662 . 0 0 "[ ]" 1
1179 1 181 VAL H 1 198 LEU QD 3.600 . 4.680 3.323 3.323 3.323 . 0 0 "[ ]" 1
1180 1 144 GLU H 1 182 SER H 3.100 . 4.030 3.117 3.117 3.117 . 0 0 "[ ]" 1
1181 1 181 VAL HA 1 182 SER H 2.400 . 3.120 2.115 2.115 2.115 . 0 0 "[ ]" 1
1182 1 145 GLU HA 1 182 SER H 3.400 . 4.420 4.334 4.334 4.334 . 0 0 "[ ]" 1
1183 1 144 GLU QB 1 182 SER H 3.800 . 4.940 2.771 2.771 2.771 . 0 0 "[ ]" 1
1184 1 181 VAL QG 1 182 SER H 3.100 . 4.030 2.634 2.634 2.634 . 0 0 "[ ]" 1
1185 1 182 SER HA 1 183 VAL H 2.200 . 2.860 2.399 2.399 2.399 . 0 0 "[ ]" 1
1186 1 182 SER HB2 1 183 VAL H 3.600 . 4.680 3.781 3.781 3.781 . 0 0 "[ ]" 1
1187 1 182 SER HB3 1 183 VAL H 3.800 . 4.940 3.507 3.507 3.507 . 0 0 "[ ]" 1
1188 1 142 VAL H 1 184 TYR H 3.200 . 4.160 3.651 3.651 3.651 . 0 0 "[ ]" 1
1189 1 183 VAL HA 1 184 TYR H 2.300 . 2.990 2.442 2.442 2.442 . 0 0 "[ ]" 1
1190 1 143 ILE HA 1 184 TYR H 3.200 . 4.160 4.146 4.146 4.146 . 0 0 "[ ]" 1
1191 1 183 VAL HB 1 184 TYR H 3.200 . 4.160 4.357 4.357 4.357 0.197 1 0 "[ ]" 1
1192 1 143 ILE MD 1 184 TYR H 3.800 . 4.940 4.976 4.976 4.976 0.036 1 0 "[ ]" 1
1193 1 183 VAL QG 1 184 TYR H 3.400 . 4.420 3.516 3.516 3.516 . 0 0 "[ ]" 1
1194 1 142 VAL QG 1 184 TYR H 3.700 . 4.810 3.883 3.883 3.883 . 0 0 "[ ]" 1
1195 1 143 ILE MG 1 184 TYR H 4.100 . 5.330 5.332 5.332 5.332 0.002 1 0 "[ ]" 1
1196 1 185 LEU H 1 192 ALA MB 4.000 . 5.200 5.216 5.216 5.216 0.016 1 0 "[ ]" 1
1197 1 184 TYR QD 1 185 LEU H 4.200 . 5.460 3.122 3.122 3.122 . 0 0 "[ ]" 1
1198 1 184 TYR QB 1 185 LEU H 3.700 . 4.810 2.926 2.926 2.926 . 0 0 "[ ]" 1
1199 1 184 TYR HA 1 185 LEU H 2.200 . 2.860 2.248 2.248 2.248 . 0 0 "[ ]" 1
1200 1 185 LEU QD 1 186 GLU H 4.400 . 5.720 2.707 2.707 2.707 . 0 0 "[ ]" 1
1201 1 140 SER H 1 186 GLU H 3.200 . 4.160 3.006 3.006 3.006 . 0 0 "[ ]" 1
1202 1 185 LEU HA 1 186 GLU H 2.200 . 2.860 2.411 2.411 2.411 . 0 0 "[ ]" 1
1203 1 185 LEU QB 1 186 GLU H 4.000 . 5.200 2.336 2.336 2.336 . 0 0 "[ ]" 1
1204 1 186 GLU H 1 192 ALA MB 3.800 . 4.940 4.974 4.974 4.974 0.034 1 0 "[ ]" 1
1205 1 189 ASP HA 1 190 GLU H 2.700 . 3.510 2.416 2.416 2.416 . 0 0 "[ ]" 1
1206 1 190 GLU H 1 191 GLN H 3.300 . 4.290 2.696 2.696 2.696 . 0 0 "[ ]" 1
1207 1 190 GLU HA 1 191 GLN H 3.100 . 4.030 2.951 2.951 2.951 . 0 0 "[ ]" 1
1208 1 190 GLU QB 1 191 GLN H 3.800 . 4.940 3.742 3.742 3.742 . 0 0 "[ ]" 1
1209 1 190 GLU QG 1 191 GLN H 3.900 . 5.070 4.511 4.511 4.511 . 0 0 "[ ]" 1
1210 1 191 GLN H 1 192 ALA H 3.100 . 4.030 1.929 1.929 1.929 . 0 0 "[ ]" 1
1211 1 191 GLN QB 1 192 ALA H 4.100 . 5.330 3.298 3.298 3.298 . 0 0 "[ ]" 1
1212 1 191 GLN HA 1 192 ALA H 2.700 . 3.510 3.354 3.354 3.354 . 0 0 "[ ]" 1
1213 1 190 GLU HA 1 192 ALA H 3.700 . 4.810 3.620 3.620 3.620 . 0 0 "[ ]" 1
1214 1 191 GLN QG 1 192 ALA H 4.000 . 5.200 4.602 4.602 4.602 . 0 0 "[ ]" 1
1215 1 192 ALA H 1 193 VAL H 3.400 . 4.420 3.073 3.073 3.073 . 0 0 "[ ]" 1
1216 1 192 ALA HA 1 193 VAL H 2.900 . 3.770 2.797 2.797 2.797 . 0 0 "[ ]" 1
1217 1 192 ALA MB 1 193 VAL H 3.400 . 4.420 3.709 3.709 3.709 . 0 0 "[ ]" 1
1218 1 193 VAL QG 1 194 ILE H 4.000 . 4.940 3.629 3.629 3.629 . 0 0 "[ ]" 1
1219 1 193 VAL HB 1 194 ILE H 2.900 . 3.770 3.938 3.938 3.938 0.168 1 0 "[ ]" 1
1220 1 194 ILE H 1 195 LYS H 3.800 . 4.940 3.496 3.496 3.496 . 0 0 "[ ]" 1
1221 1 194 ILE HA 1 195 LYS H 2.400 . 3.120 2.504 2.504 2.504 . 0 0 "[ ]" 1
1222 1 194 ILE MG 1 195 LYS H 3.200 . 4.160 3.968 3.968 3.968 . 0 0 "[ ]" 1
1223 1 182 SER HB3 1 196 SER H 3.600 . 4.680 4.723 4.723 4.723 0.043 1 0 "[ ]" 1
1224 1 182 SER HB2 1 196 SER H 3.600 . 4.680 4.695 4.695 4.695 0.015 1 0 "[ ]" 1
1225 1 184 TYR HA 1 196 SER H 3.000 . 3.900 3.955 3.955 3.955 0.055 1 0 "[ ]" 1
1226 1 195 LYS HA 1 196 SER H 2.700 . 3.510 2.148 2.148 2.148 . 0 0 "[ ]" 1
1227 1 195 LYS QB 1 196 SER H 3.600 . 4.680 3.979 3.979 3.979 . 0 0 "[ ]" 1
1228 1 184 TYR QD 1 196 SER H 3.700 . 4.810 4.838 4.838 4.838 0.028 1 0 "[ ]" 1
1229 1 183 VAL HB 1 196 SER H 3.200 . 4.160 4.216 4.216 4.216 0.056 1 0 "[ ]" 1
1230 1 183 VAL QG 1 196 SER H 4.000 . 5.200 4.415 4.415 4.415 . 0 0 "[ ]" 1
1231 1 184 TYR QB 1 196 SER H 3.800 . 4.940 3.270 3.270 3.270 . 0 0 "[ ]" 1
1232 1 183 VAL H 1 196 SER H 3.300 . 4.290 2.838 2.838 2.838 . 0 0 "[ ]" 1
1233 1 197 PRO HA 1 198 LEU H 2.300 . 2.990 2.169 2.169 2.169 . 0 0 "[ ]" 1
1234 1 197 PRO HB2 1 198 LEU H 3.200 . 4.160 4.193 4.193 4.193 0.033 1 0 "[ ]" 1
1235 1 197 PRO HB3 1 198 LEU H 3.000 . 3.900 3.952 3.952 3.952 0.052 1 0 "[ ]" 1
1236 1 197 PRO QG 1 198 LEU H 4.000 . 5.200 4.800 4.800 4.800 . 0 0 "[ ]" 1
1237 1 181 VAL H 1 199 LYS H 3.100 . 4.030 2.188 2.188 2.188 . 0 0 "[ ]" 1
1238 1 198 LEU HA 1 199 LYS H 2.200 . 2.860 2.342 2.342 2.342 . 0 0 "[ ]" 1
1239 1 198 LEU QB 1 199 LYS H 3.700 . 4.810 1.884 1.884 1.884 . 0 0 "[ ]" 1
1240 1 198 LEU HG 1 199 LYS H 3.000 . 3.900 4.166 4.166 4.166 0.266 1 0 "[ ]" 1
1241 1 198 LEU MD1 1 199 LYS H 3.700 . 4.810 4.373 4.373 4.373 . 0 0 "[ ]" 1
1242 1 198 LEU MD2 1 199 LYS H 3.700 . 4.810 3.212 3.212 3.212 . 0 0 "[ ]" 1
1243 1 199 LYS HA 1 200 CYS H 2.300 . 2.990 2.189 2.189 2.189 . 0 0 "[ ]" 1
1244 1 199 LYS QB 1 200 CYS H 3.900 . 5.070 3.927 3.927 3.927 . 0 0 "[ ]" 1
1245 1 199 LYS QG 1 200 CYS H 4.000 . 5.200 3.162 3.162 3.162 . 0 0 "[ ]" 1
1246 1 179 TYR H 1 201 THR H 3.200 . 4.160 3.657 3.657 3.657 . 0 0 "[ ]" 1
1247 1 200 CYS HA 1 201 THR H 2.200 . 2.860 2.375 2.375 2.375 . 0 0 "[ ]" 1
1248 1 180 CYS HA 1 201 THR H 3.000 . 3.900 3.725 3.725 3.725 . 0 0 "[ ]" 1
1249 1 200 CYS QB 1 201 THR H 3.000 . 3.900 3.917 3.917 3.917 0.017 1 0 "[ ]" 1
1250 1 201 THR HA 1 202 LEU H 2.400 . 3.120 2.153 2.153 2.153 . 0 0 "[ ]" 1
1251 1 201 THR MG 1 202 LEU H 4.500 . 5.850 3.662 3.662 3.662 . 0 0 "[ ]" 1
1252 1 201 THR HB 1 202 LEU H 3.600 . 4.680 4.491 4.491 4.491 . 0 0 "[ ]" 1
1253 1 202 LEU HG 1 203 LEU H 3.400 . 4.420 2.215 2.215 2.215 . 0 0 "[ ]" 1
1254 1 202 LEU MD1 1 203 LEU H 3.700 . 4.810 1.718 1.718 1.718 0.082 1 0 "[ ]" 1
1255 1 202 LEU MD2 1 203 LEU H 3.600 . 4.680 3.622 3.622 3.622 . 0 0 "[ ]" 1
1256 1 178 ASN HA 1 203 LEU H 3.300 . 4.290 3.829 3.829 3.829 . 0 0 "[ ]" 1
1257 1 202 LEU HA 1 203 LEU H 2.700 . 3.510 2.480 2.480 2.480 . 0 0 "[ ]" 1
1258 1 203 LEU H 1 205 PRO QB 3.500 . 4.550 4.810 4.810 4.810 0.260 1 0 "[ ]" 1
1259 1 202 LEU QB 1 203 LEU H 4.100 . 5.330 3.213 3.213 3.213 . 0 0 "[ ]" 1
1260 1 177 THR H 1 203 LEU H 4.000 . 5.200 2.735 2.735 2.735 . 0 0 "[ ]" 1
1261 1 205 PRO HA 1 206 GLY H 2.400 . 3.120 2.037 2.037 2.037 . 0 0 "[ ]" 1
1262 1 206 GLY H 1 207 GLN QG 4.200 . 5.460 4.566 4.566 4.566 . 0 0 "[ ]" 1
1263 1 205 PRO HB2 1 206 GLY H 3.100 . 4.030 3.706 3.706 3.706 . 0 0 "[ ]" 1
1264 1 205 PRO HB3 1 206 GLY H 3.000 . 3.900 4.017 4.017 4.017 0.117 1 0 "[ ]" 1
1265 1 209 SER HA 1 210 GLU H 4.500 . 5.850 2.752 2.752 2.752 . 0 0 "[ ]" 1
1266 1 112 PHE HA 1 125 VAL HA 2.200 . 2.860 2.518 2.518 2.518 . 0 0 "[ ]" 1
1267 1 114 ILE HA 1 123 VAL HA 2.400 . 3.120 2.127 2.127 2.127 . 0 0 "[ ]" 1
1268 1 116 GLY HA3 1 121 ILE HA 2.900 . 3.770 3.618 3.618 3.618 . 0 0 "[ ]" 1
1269 1 116 GLY HA2 1 121 ILE HA 2.900 . 3.770 2.265 2.265 2.265 . 0 0 "[ ]" 1
1270 1 116 GLY QA 1 121 ILE HA 2.500 . 3.250 2.243 2.243 2.243 . 0 0 "[ ]" 1
1271 1 120 HIS HA 1 171 ASP HA 2.700 . 3.510 2.430 2.430 2.430 . 0 0 "[ ]" 1
1272 1 122 ASN HA 1 169 ILE HA 2.300 . 2.990 2.603 2.603 2.603 . 0 0 "[ ]" 1
1273 1 124 MET HA 1 167 THR HA 2.300 . 2.990 2.745 2.745 2.745 . 0 0 "[ ]" 1
1274 1 126 LYS HA 1 165 ASN HA 2.200 . 2.860 2.263 2.263 2.263 . 0 0 "[ ]" 1
1275 1 142 VAL HA 1 155 LYS HA 2.400 . 3.120 2.102 2.102 2.102 . 0 0 "[ ]" 1
1276 1 144 GLU HA 1 153 LYS HA 2.200 . 2.860 1.921 1.921 1.921 . 0 0 "[ ]" 1
1277 1 146 GLN HA 1 151 VAL HA 2.200 . 2.860 2.020 2.020 2.020 . 0 0 "[ ]" 1
1278 1 147 SER HA 1 179 TYR HA 2.500 . 3.250 1.846 1.846 1.846 . 0 0 "[ ]" 1
1279 1 145 GLU HA 1 181 VAL HA 2.400 . 3.120 2.976 2.976 2.976 . 0 0 "[ ]" 1
1280 1 143 ILE HA 1 183 VAL HA 2.300 . 2.990 3.101 3.101 3.101 0.111 1 0 "[ ]" 1
1281 1 141 LEU HA 1 185 LEU HA 2.300 . 2.990 2.012 2.012 2.012 . 0 0 "[ ]" 1
1282 1 180 CYS HA 1 200 CYS HA 2.100 . 2.730 2.025 2.025 2.025 . 0 0 "[ ]" 1
1283 1 178 ASN HA 1 202 LEU HA 2.400 . 3.120 1.834 1.834 1.834 . 0 0 "[ ]" 1
1284 1 101 LEU HA 1 104 ASP HB3 2.900 . 3.770 2.678 2.678 2.678 . 0 0 "[ ]" 1
1285 1 101 LEU HA 1 104 ASP HB2 3.100 . 4.030 3.984 3.984 3.984 . 0 0 "[ ]" 1
1286 1 106 SER HA 1 194 ILE MD 3.000 . 3.900 2.148 2.148 2.148 . 0 0 "[ ]" 1
1287 1 106 SER QB 1 194 ILE MD 3.100 . 4.030 2.584 2.584 2.584 . 0 0 "[ ]" 1
1288 1 111 GLU HB3 1 126 LYS QB 2.700 . 3.510 1.764 1.764 1.764 0.036 1 0 "[ ]" 1
1289 1 111 GLU HB3 1 126 LYS QG 3.300 . 4.290 3.209 3.209 3.209 . 0 0 "[ ]" 1
1290 1 111 GLU HB2 1 126 LYS QB 2.600 . 3.380 3.268 3.268 3.268 . 0 0 "[ ]" 1
1291 1 111 GLU HB2 1 126 LYS QG 3.300 . 4.290 4.420 4.420 4.420 0.130 1 0 "[ ]" 1
1292 1 111 GLU HG3 1 126 LYS QB 2.900 . 3.770 3.176 3.176 3.176 . 0 0 "[ ]" 1
1293 1 111 GLU HG3 1 126 LYS QG 3.200 . 4.160 3.629 3.629 3.629 . 0 0 "[ ]" 1
1294 1 111 GLU HG2 1 126 LYS HB3 2.900 . 3.770 3.096 3.096 3.096 . 0 0 "[ ]" 1
1295 1 111 GLU HG2 1 126 LYS HB2 2.900 . 3.770 2.342 2.342 2.342 . 0 0 "[ ]" 1
1296 1 111 GLU HG2 1 126 LYS QG 3.200 . 4.160 2.061 2.061 2.061 . 0 0 "[ ]" 1
1297 1 112 PHE HA 1 125 VAL MG1 3.300 . 4.290 3.889 3.889 3.889 . 0 0 "[ ]" 1
1298 1 112 PHE HA 1 125 VAL MG2 3.200 . 4.160 4.234 4.234 4.234 0.074 1 0 "[ ]" 1
1299 1 112 PHE HA 1 126 LYS QD 3.400 . 4.420 1.829 1.829 1.829 . 0 0 "[ ]" 1
1300 1 112 PHE HA 1 126 LYS QG 3.100 . 4.030 3.893 3.893 3.893 . 0 0 "[ ]" 1
1301 1 112 PHE HB3 1 125 VAL QG 3.700 . 4.810 2.756 2.756 2.756 . 0 0 "[ ]" 1
1302 1 112 PHE HB2 1 125 VAL QG 3.700 . 4.810 2.433 2.433 2.433 . 0 0 "[ ]" 1
1303 1 113 GLU HA 1 114 ILE MD 3.600 . 4.680 4.786 4.786 4.786 0.106 1 0 "[ ]" 1
1304 1 113 GLU HA 1 114 ILE HG13 2.600 . 3.380 3.567 3.567 3.567 0.187 1 0 "[ ]" 1
1305 1 113 GLU HA 1 114 ILE HG12 2.800 . 3.640 3.589 3.589 3.589 . 0 0 "[ ]" 1
1306 1 113 GLU HA 1 199 LYS HD3 2.700 . 3.510 1.999 1.999 1.999 . 0 0 "[ ]" 1
1307 1 113 GLU HA 1 199 LYS HD2 2.800 . 3.640 2.012 2.012 2.012 . 0 0 "[ ]" 1
1308 1 113 GLU HA 1 199 LYS HE3 3.000 . 3.900 3.711 3.711 3.711 . 0 0 "[ ]" 1
1309 1 113 GLU HA 1 199 LYS HE2 3.000 . 3.900 2.928 2.928 2.928 . 0 0 "[ ]" 1
1310 1 113 GLU HB3 1 199 LYS QE 3.300 . 4.290 4.006 4.006 4.006 . 0 0 "[ ]" 1
1311 1 112 PHE HA 1 113 GLU QG 2.900 . 3.770 3.856 3.856 3.856 0.086 1 0 "[ ]" 1
1312 1 113 GLU QG 1 115 VAL QG 3.400 . 4.420 4.610 4.610 4.610 0.190 1 0 "[ ]" 1
1313 1 113 GLU QG 1 199 LYS QD 2.800 . 3.640 3.660 3.660 3.660 0.020 1 0 "[ ]" 1
1314 1 113 GLU QG 1 199 LYS QE 2.600 . 3.380 3.419 3.419 3.419 0.039 1 0 "[ ]" 1
1315 1 114 ILE HA 1 123 VAL MG1 3.200 . 4.160 3.685 3.685 3.685 . 0 0 "[ ]" 1
1316 1 114 ILE HA 1 123 VAL MG2 3.200 . 4.160 3.556 3.556 3.556 . 0 0 "[ ]" 1
1317 1 114 ILE HA 1 124 MET ME 3.500 . 4.550 4.606 4.606 4.606 0.056 1 0 "[ ]" 1
1318 1 114 ILE QG 1 201 THR HB 2.900 . 3.770 2.411 2.411 2.411 . 0 0 "[ ]" 1
1319 1 114 ILE QG 1 199 LYS QD 2.900 . 3.770 2.243 2.243 2.243 . 0 0 "[ ]" 1
1320 1 114 ILE MG 1 199 LYS QG 2.800 . 3.640 3.793 3.793 3.793 0.153 1 0 "[ ]" 1
1321 1 115 VAL HB 1 122 ASN HB3 2.800 . 3.640 2.870 2.870 2.870 . 0 0 "[ ]" 1
1322 1 115 VAL HB 1 122 ASN HB2 2.800 . 3.640 2.529 2.529 2.529 . 0 0 "[ ]" 1
1323 1 116 GLY HA3 1 121 ILE QG 3.400 . 4.420 4.061 4.061 4.061 . 0 0 "[ ]" 1
1324 1 116 GLY HA3 1 121 ILE MG 3.500 . 4.550 3.978 3.978 3.978 . 0 0 "[ ]" 1
1325 1 116 GLY HA2 1 121 ILE QG 3.500 . 4.550 3.690 3.690 3.690 . 0 0 "[ ]" 1
1326 1 116 GLY HA2 1 121 ILE MG 3.300 . 4.290 3.228 3.228 3.228 . 0 0 "[ ]" 1
1327 1 118 THR HA 1 203 LEU HA 3.000 . 3.900 3.994 3.994 3.994 0.094 1 0 "[ ]" 1
1328 1 118 THR HA 1 204 PRO HD3 2.600 . 3.380 3.473 3.473 3.473 0.093 1 0 "[ ]" 1
1329 1 118 THR HA 1 204 PRO HD2 2.600 . 3.380 1.870 1.870 1.870 . 0 0 "[ ]" 1
1330 1 118 THR HA 1 204 PRO HG3 2.600 . 3.380 3.095 3.095 3.095 . 0 0 "[ ]" 1
1331 1 118 THR HA 1 204 PRO HG2 2.500 . 3.250 1.888 1.888 1.888 . 0 0 "[ ]" 1
1332 1 118 THR HB 1 204 PRO QD 3.000 . 3.900 4.083 4.083 4.083 0.183 1 0 "[ ]" 1
1333 1 118 THR HB 1 204 PRO HG3 2.700 . 3.510 3.709 3.709 3.709 0.199 1 0 "[ ]" 1
1334 1 118 THR HB 1 204 PRO HG2 2.800 . 3.640 3.274 3.274 3.274 . 0 0 "[ ]" 1
1335 1 120 HIS HA 1 173 LEU QB 3.000 . 3.900 3.770 3.770 3.770 . 0 0 "[ ]" 1
1336 1 121 ILE HA 1 203 LEU QD 3.200 . 4.160 3.821 3.821 3.821 . 0 0 "[ ]" 1
1337 1 121 ILE HB 1 173 LEU QD 3.500 . 4.550 3.385 3.385 3.385 . 0 0 "[ ]" 1
1338 1 121 ILE HG13 1 173 LEU QD 3.600 . 4.680 1.867 1.867 1.867 . 0 0 "[ ]" 1
1339 1 121 ILE HG12 1 173 LEU QD 3.700 . 4.810 2.953 2.953 2.953 . 0 0 "[ ]" 1
1340 1 122 ASN HA 1 169 ILE QG 3.000 . 3.900 3.869 3.869 3.869 . 0 0 "[ ]" 1
1341 1 115 VAL MG1 1 122 ASN HB3 3.400 . 4.420 4.316 4.316 4.316 . 0 0 "[ ]" 1
1342 1 115 VAL MG2 1 122 ASN HB3 3.400 . 4.420 3.693 3.693 3.693 . 0 0 "[ ]" 1
1343 1 122 ASN HB3 1 169 ILE MG 3.700 . 4.810 4.846 4.846 4.846 0.036 1 0 "[ ]" 1
1344 1 115 VAL MG1 1 122 ASN HB2 3.200 . 4.160 3.604 3.604 3.604 . 0 0 "[ ]" 1
1345 1 115 VAL MG2 1 122 ASN HB2 3.200 . 4.160 4.028 4.028 4.028 . 0 0 "[ ]" 1
1346 1 122 ASN HB2 1 169 ILE MG 3.500 . 4.550 4.561 4.561 4.561 0.011 1 0 "[ ]" 1
1347 1 114 ILE HB 1 123 VAL HA 2.500 . 3.250 3.331 3.331 3.331 0.081 1 0 "[ ]" 1
1348 1 123 VAL HB 1 143 ILE MG 3.400 . 4.420 2.957 2.957 2.957 . 0 0 "[ ]" 1
1349 1 124 MET HA 1 167 THR MG 3.000 . 3.900 3.995 3.995 3.995 0.095 1 0 "[ ]" 1
1350 1 124 MET QB 1 167 THR MG 3.200 . 4.160 4.113 4.113 4.113 . 0 0 "[ ]" 1
1351 1 124 MET HG3 1 126 LYS QD 3.300 . 4.290 4.153 4.153 4.153 . 0 0 "[ ]" 1
1352 1 124 MET HG3 1 126 LYS QG 3.000 . 3.900 3.995 3.995 3.995 0.095 1 0 "[ ]" 1
1353 1 124 MET HG3 1 165 ASN HB3 2.800 . 3.640 3.621 3.621 3.621 . 0 0 "[ ]" 1
1354 1 124 MET HG3 1 165 ASN HB2 2.700 . 3.510 2.909 2.909 2.909 . 0 0 "[ ]" 1
1355 1 124 MET HG3 1 167 THR MG 3.200 . 4.160 3.754 3.754 3.754 . 0 0 "[ ]" 1
1356 1 124 MET HG2 1 126 LYS QD 3.300 . 4.290 4.327 4.327 4.327 0.037 1 0 "[ ]" 1
1357 1 124 MET HG2 1 126 LYS QG 3.000 . 3.900 3.904 3.904 3.904 0.004 1 0 "[ ]" 1
1358 1 124 MET HG2 1 165 ASN HB3 2.500 . 3.250 3.185 3.185 3.185 . 0 0 "[ ]" 1
1359 1 124 MET HG2 1 165 ASN HB2 2.600 . 3.380 2.823 2.823 2.823 . 0 0 "[ ]" 1
1360 1 124 MET HG2 1 167 THR MG 3.000 . 3.900 4.035 4.035 4.035 0.135 1 0 "[ ]" 1
1361 1 112 PHE HB3 1 125 VAL HA 2.700 . 3.510 3.156 3.156 3.156 . 0 0 "[ ]" 1
1362 1 112 PHE HB2 1 125 VAL HA 2.900 . 3.770 2.218 2.218 2.218 . 0 0 "[ ]" 1
1363 1 125 VAL HA 1 126 LYS QD 3.500 . 4.550 2.717 2.717 2.717 . 0 0 "[ ]" 1
1364 1 125 VAL HA 1 126 LYS QG 3.300 . 4.290 4.409 4.409 4.409 0.119 1 0 "[ ]" 1
1365 1 125 VAL HB 1 166 PHE HB3 2.700 . 3.510 1.943 1.943 1.943 . 0 0 "[ ]" 1
1366 1 125 VAL HB 1 166 PHE HB2 2.900 . 3.770 2.282 2.282 2.282 . 0 0 "[ ]" 1
1367 1 127 PHE HA 1 128 PRO HD3 2.500 . 3.250 2.669 2.669 2.669 . 0 0 "[ ]" 1
1368 1 127 PHE HA 1 128 PRO HD2 2.500 . 3.250 2.181 2.181 2.181 . 0 0 "[ ]" 1
1369 1 127 PHE HB3 1 128 PRO QD 2.800 . 3.640 2.249 2.249 2.249 . 0 0 "[ ]" 1
1370 1 127 PHE HB2 1 128 PRO QD 2.800 . 3.640 3.661 3.661 3.661 0.021 1 0 "[ ]" 1
1371 1 130 ILE MG 1 132 GLU HA 3.400 . 4.420 4.208 4.208 4.208 . 0 0 "[ ]" 1
1372 1 132 GLU HA 1 135 LEU QB 2.800 . 3.640 1.778 1.778 1.778 0.022 1 0 "[ ]" 1
1373 1 132 GLU HB3 1 135 LEU QB 2.900 . 3.770 3.675 3.675 3.675 . 0 0 "[ ]" 1
1374 1 132 GLU HB2 1 135 LEU QB 2.900 . 3.770 2.817 2.817 2.817 . 0 0 "[ ]" 1
1375 1 141 LEU HA 1 185 LEU QB 2.600 . 3.380 3.018 3.018 3.018 . 0 0 "[ ]" 1
1376 1 142 VAL HA 1 155 LYS HB3 3.000 . 3.900 3.236 3.236 3.236 . 0 0 "[ ]" 1
1377 1 142 VAL HA 1 155 LYS HB2 3.100 . 4.030 4.075 4.075 4.075 0.045 1 0 "[ ]" 1
1378 1 142 VAL HA 1 156 PRO HD3 2.900 . 3.770 3.443 3.443 3.443 . 0 0 "[ ]" 1
1379 1 142 VAL HA 1 156 PRO HD2 2.900 . 3.770 3.302 3.302 3.302 . 0 0 "[ ]" 1
1380 1 143 ILE HB 1 154 HIS HB3 2.800 . 3.640 3.368 3.368 3.368 . 0 0 "[ ]" 1
1381 1 143 ILE HB 1 154 HIS HB2 2.700 . 3.510 2.043 2.043 2.043 . 0 0 "[ ]" 1
1382 1 143 ILE HG13 1 156 PRO HD3 2.500 . 3.250 3.137 3.137 3.137 . 0 0 "[ ]" 1
1383 1 143 ILE HG13 1 156 PRO HD2 2.500 . 3.250 3.338 3.338 3.338 0.088 1 0 "[ ]" 1
1384 1 143 ILE HG12 1 156 PRO HD3 2.800 . 3.640 1.809 1.809 1.809 . 0 0 "[ ]" 1
1385 1 143 ILE HG12 1 156 PRO HD2 2.600 . 3.380 2.599 2.599 2.599 . 0 0 "[ ]" 1
1386 1 144 GLU HB3 1 182 SER HB3 2.900 . 3.770 3.164 3.164 3.164 . 0 0 "[ ]" 1
1387 1 144 GLU HB2 1 182 SER HB3 2.700 . 3.510 2.186 2.186 2.186 . 0 0 "[ ]" 1
1388 1 144 GLU HB2 1 182 SER HB2 2.900 . 3.770 3.734 3.734 3.734 . 0 0 "[ ]" 1
1389 1 146 GLN HA 1 151 VAL QG 2.900 . 3.770 3.068 3.068 3.068 . 0 0 "[ ]" 1
1390 1 146 GLN HB3 1 151 VAL QG 3.200 . 4.160 3.928 3.928 3.928 . 0 0 "[ ]" 1
1391 1 146 GLN HB3 1 180 CYS HB3 2.900 . 3.770 3.551 3.551 3.551 . 0 0 "[ ]" 1
1392 1 146 GLN HB3 1 180 CYS HB2 2.900 . 3.770 2.311 2.311 2.311 . 0 0 "[ ]" 1
1393 1 146 GLN HB2 1 151 VAL QG 3.000 . 3.900 3.309 3.309 3.309 . 0 0 "[ ]" 1
1394 1 146 GLN HB2 1 180 CYS HB3 2.900 . 3.770 3.775 3.775 3.775 0.005 1 0 "[ ]" 1
1395 1 146 GLN HB2 1 180 CYS HB2 2.700 . 3.510 3.307 3.307 3.307 . 0 0 "[ ]" 1
1396 1 146 GLN QG 1 151 VAL HA 2.500 . 3.250 2.050 2.050 2.050 . 0 0 "[ ]" 1
1397 1 146 GLN QG 1 180 CYS HB3 3.500 . 4.550 4.573 4.573 4.573 0.023 1 0 "[ ]" 1
1398 1 146 GLN QG 1 180 CYS HB2 3.500 . 4.550 3.908 3.908 3.908 . 0 0 "[ ]" 1
1399 1 146 GLN QB 1 151 VAL HA 2.700 . 3.510 3.523 3.523 3.523 0.013 1 0 "[ ]" 1
1400 1 145 GLU HB3 1 152 LYS QB 2.900 . 3.770 2.241 2.241 2.241 . 0 0 "[ ]" 1
1401 1 145 GLU HB2 1 152 LYS QB 2.900 . 3.770 3.313 3.313 3.313 . 0 0 "[ ]" 1
1402 1 144 GLU HB3 1 153 LYS HA 3.000 . 3.900 3.939 3.939 3.939 0.039 1 0 "[ ]" 1
1403 1 144 GLU HB2 1 153 LYS HA 3.000 . 3.900 4.038 4.038 4.038 0.138 1 0 "[ ]" 1
1404 1 144 GLU HG3 1 153 LYS HA 2.900 . 3.770 2.813 2.813 2.813 . 0 0 "[ ]" 1
1405 1 144 GLU HG2 1 153 LYS HA 2.900 . 3.770 1.796 1.796 1.796 0.004 1 0 "[ ]" 1
1406 1 143 ILE MG 1 154 HIS HB3 3.500 . 4.550 4.636 4.636 4.636 0.086 1 0 "[ ]" 1
1407 1 143 ILE MG 1 154 HIS HB2 3.600 . 4.680 3.732 3.732 3.732 . 0 0 "[ ]" 1
1408 1 155 LYS HA 1 156 PRO HD3 2.400 . 3.120 2.428 2.428 2.428 . 0 0 "[ ]" 1
1409 1 155 LYS HA 1 156 PRO HD2 2.300 . 2.990 2.566 2.566 2.566 . 0 0 "[ ]" 1
1410 1 143 ILE MD 1 156 PRO HA 3.600 . 4.680 4.812 4.812 4.812 0.132 1 0 "[ ]" 1
1411 1 158 ILE HA 1 161 ASN HB3 2.800 . 3.640 3.511 3.511 3.511 . 0 0 "[ ]" 1
1412 1 158 ILE HA 1 161 ASN HB2 2.800 . 3.640 1.869 1.869 1.869 . 0 0 "[ ]" 1
1413 1 158 ILE MG 1 159 LYS HA 3.700 . 4.810 4.550 4.550 4.550 . 0 0 "[ ]" 1
1414 1 129 SER HA 1 164 GLY HA3 2.800 . 3.640 3.717 3.717 3.717 0.077 1 0 "[ ]" 1
1415 1 129 SER HA 1 164 GLY HA2 2.800 . 3.640 3.494 3.494 3.494 . 0 0 "[ ]" 1
1416 1 126 LYS QB 1 165 ASN HA 3.300 . 4.290 3.782 3.782 3.782 . 0 0 "[ ]" 1
1417 1 126 LYS QG 1 165 ASN HA 3.000 . 3.900 2.453 2.453 2.453 . 0 0 "[ ]" 1
1418 1 124 MET QB 1 165 ASN HB3 3.400 . 4.420 4.472 4.472 4.472 0.052 1 0 "[ ]" 1
1419 1 124 MET QB 1 165 ASN HB2 3.400 . 4.420 4.451 4.451 4.451 0.031 1 0 "[ ]" 1
1420 1 125 VAL QG 1 166 PHE HA 3.800 . 4.940 4.804 4.804 4.804 . 0 0 "[ ]" 1
1421 1 124 MET QB 1 167 THR HA 3.100 . 4.030 4.118 4.118 4.118 0.088 1 0 "[ ]" 1
1422 1 124 MET HG3 1 167 THR HA 3.100 . 4.030 3.270 3.270 3.270 . 0 0 "[ ]" 1
1423 1 124 MET HG2 1 167 THR HA 3.300 . 4.290 4.451 4.451 4.451 0.161 1 0 "[ ]" 1
1424 1 121 ILE HB 1 170 ILE HB 2.600 . 3.380 1.865 1.865 1.865 . 0 0 "[ ]" 1
1425 1 120 HIS HB3 1 171 ASP HA 2.400 . 3.120 3.149 3.149 3.149 0.029 1 0 "[ ]" 1
1426 1 120 HIS HB2 1 171 ASP HA 2.500 . 3.250 3.275 3.275 3.275 0.025 1 0 "[ ]" 1
1427 1 174 ILE HA 1 175 PRO HD3 2.300 . 2.990 2.224 2.224 2.224 . 0 0 "[ ]" 1
1428 1 174 ILE HA 1 175 PRO HD2 2.400 . 3.120 2.523 2.523 2.523 . 0 0 "[ ]" 1
1429 1 176 ASN HA 1 202 LEU HG 2.800 . 3.640 3.664 3.664 3.664 0.024 1 0 "[ ]" 1
1430 1 178 ASN HA 1 202 LEU HB3 3.100 . 4.030 4.066 4.066 4.066 0.036 1 0 "[ ]" 1
1431 1 178 ASN HA 1 202 LEU HB2 3.100 . 4.030 2.697 2.697 2.697 . 0 0 "[ ]" 1
1432 1 147 SER QB 1 179 TYR HA 2.600 . 3.380 3.355 3.355 3.355 . 0 0 "[ ]" 1
1433 1 180 CYS HA 1 200 CYS QB 3.000 . 3.900 3.664 3.664 3.664 . 0 0 "[ ]" 1
1434 1 180 CYS HA 1 198 LEU MD1 3.500 . 4.160 4.295 4.295 4.295 0.135 1 0 "[ ]" 1
1435 1 180 CYS HA 1 198 LEU MD2 3.600 . 4.160 3.639 3.639 3.639 . 0 0 "[ ]" 1
1436 1 114 ILE QG 1 181 VAL HB 3.000 . 3.900 2.640 2.640 2.640 . 0 0 "[ ]" 1
1437 1 114 ILE MG 1 181 VAL HB 3.000 . 3.900 2.228 2.228 2.228 . 0 0 "[ ]" 1
1438 1 140 SER QB 1 186 GLU QB 3.100 . 4.030 4.047 4.047 4.047 0.017 1 0 "[ ]" 1
1439 1 140 SER QB 1 186 GLU HG3 3.200 . 4.160 2.108 2.108 2.108 . 0 0 "[ ]" 1
1440 1 140 SER QB 1 186 GLU HG2 3.300 . 4.290 2.729 2.729 2.729 . 0 0 "[ ]" 1
1441 1 189 ASP HB3 1 192 ALA MB 3.300 . 4.290 3.870 3.870 3.870 . 0 0 "[ ]" 1
1442 1 189 ASP HB2 1 192 ALA MB 3.300 . 4.160 3.725 3.725 3.725 . 0 0 "[ ]" 1
1443 1 190 GLU HA 1 193 VAL MG1 3.100 . 4.030 3.642 3.642 3.642 . 0 0 "[ ]" 1
1444 1 190 GLU HA 1 193 VAL MG2 3.200 . 4.160 4.202 4.202 4.202 0.042 1 0 "[ ]" 1
1445 1 190 GLU QG 1 193 VAL QG 2.900 . 3.770 3.143 3.143 3.143 . 0 0 "[ ]" 1
1446 1 184 TYR HB2 1 195 LYS HA 2.500 . 3.250 3.181 3.181 3.181 . 0 0 "[ ]" 1
1447 1 184 TYR HB3 1 195 LYS HA 2.400 . 3.120 1.742 1.742 1.742 0.058 1 0 "[ ]" 1
1448 1 196 SER HA 1 197 PRO HD3 2.500 . 3.250 2.190 2.190 2.190 . 0 0 "[ ]" 1
1449 1 196 SER HA 1 197 PRO HD2 2.500 . 3.250 2.940 2.940 2.940 . 0 0 "[ ]" 1
1450 1 196 SER HB3 1 197 PRO HD3 2.800 . 3.640 3.656 3.656 3.656 0.016 1 0 "[ ]" 1
1451 1 196 SER HB3 1 197 PRO HD2 2.800 . 3.640 3.267 3.267 3.267 . 0 0 "[ ]" 1
1452 1 196 SER HB2 1 197 PRO HD3 2.800 . 3.640 3.031 3.031 3.031 . 0 0 "[ ]" 1
1453 1 196 SER HB2 1 197 PRO HD2 2.800 . 3.640 1.976 1.976 1.976 . 0 0 "[ ]" 1
1454 1 180 CYS HB3 1 198 LEU HB3 2.900 . 3.770 2.037 2.037 2.037 . 0 0 "[ ]" 1
1455 1 180 CYS HB2 1 198 LEU HB3 2.800 . 3.640 3.656 3.656 3.656 0.016 1 0 "[ ]" 1
1456 1 180 CYS HB3 1 198 LEU HB2 2.800 . 3.640 2.167 2.167 2.167 . 0 0 "[ ]" 1
1457 1 180 CYS HB2 1 198 LEU HB2 2.800 . 3.640 3.724 3.724 3.724 0.084 1 0 "[ ]" 1
1458 1 114 ILE QG 1 201 THR HA 3.600 . 4.680 4.835 4.835 4.835 0.155 1 0 "[ ]" 1
1459 1 178 ASN HB3 1 202 LEU HA 2.600 . 3.380 3.449 3.449 3.449 0.069 1 0 "[ ]" 1
1460 1 178 ASN HB2 1 202 LEU HA 2.800 . 3.640 3.714 3.714 3.714 0.074 1 0 "[ ]" 1
1461 1 203 LEU HA 1 204 PRO HD3 2.500 . 3.250 2.841 2.841 2.841 . 0 0 "[ ]" 1
1462 1 203 LEU HA 1 204 PRO HD2 2.400 . 3.120 2.563 2.563 2.563 . 0 0 "[ ]" 1
1463 1 176 ASN HA 1 205 PRO HA 2.700 . 3.510 2.218 2.218 2.218 . 0 0 "[ ]" 1
1464 1 176 ASN HB3 1 205 PRO HA 2.400 . 3.120 3.214 3.214 3.214 0.094 1 0 "[ ]" 1
1465 1 176 ASN HB2 1 205 PRO HA 2.700 . 3.510 2.069 2.069 2.069 . 0 0 "[ ]" 1
1466 1 101 LEU QD 1 104 ASP QB 3.300 . 4.290 4.380 4.380 4.380 0.090 1 0 "[ ]" 1
1467 1 101 LEU QD 1 105 MET HA 3.500 . 4.550 3.694 3.694 3.694 . 0 0 "[ ]" 1
1468 1 114 ILE MD 1 181 VAL HB 3.000 . 3.900 2.106 2.106 2.106 . 0 0 "[ ]" 1
1469 1 114 ILE MD 1 180 CYS HA 3.600 . 4.680 3.494 3.494 3.494 . 0 0 "[ ]" 1
1470 1 114 ILE MD 1 199 LYS HA 3.300 . 4.290 3.826 3.826 3.826 . 0 0 "[ ]" 1
1471 1 114 ILE MD 1 199 LYS QB 3.300 . 4.290 2.296 2.296 2.296 . 0 0 "[ ]" 1
1472 1 114 ILE MD 1 200 CYS HA 3.300 . 4.290 3.250 3.250 3.250 . 0 0 "[ ]" 1
1473 1 114 ILE MD 1 201 THR HA 3.300 . 4.290 3.585 3.585 3.585 . 0 0 "[ ]" 1
1474 1 114 ILE MD 1 201 THR HB 2.700 . 3.510 1.832 1.832 1.832 . 0 0 "[ ]" 1
1475 1 115 VAL QG 1 117 PHE QD 3.900 . 5.070 3.259 3.259 3.259 . 0 0 "[ ]" 1
1476 1 115 VAL QG 1 122 ASN HB3 3.400 . 4.420 3.494 3.494 3.494 . 0 0 "[ ]" 1
1477 1 115 VAL QG 1 122 ASN HB2 3.200 . 4.160 3.363 3.363 3.363 . 0 0 "[ ]" 1
1478 1 118 THR MG 1 206 GLY HA3 3.200 . 4.160 4.181 4.181 4.181 0.021 1 0 "[ ]" 1
1479 1 118 THR MG 1 206 GLY HA2 3.200 . 4.160 4.314 4.314 4.314 0.154 1 0 "[ ]" 1
1480 1 116 GLY HA3 1 121 ILE MD 3.700 . 4.810 4.928 4.928 4.928 0.118 1 0 "[ ]" 1
1481 1 116 GLY HA2 1 121 ILE MD 3.700 . 4.810 4.809 4.809 4.809 . 0 0 "[ ]" 1
1482 1 121 ILE MD 1 145 GLU HB3 3.300 . 4.290 4.380 4.380 4.380 0.090 1 0 "[ ]" 1
1483 1 121 ILE MD 1 170 ILE HA 3.300 . 4.290 4.403 4.403 4.403 0.113 1 0 "[ ]" 1
1484 1 121 ILE MD 1 170 ILE HB 2.600 . 3.380 1.767 1.767 1.767 0.033 1 0 "[ ]" 1
1485 1 121 ILE MD 1 170 ILE QG 2.300 . 2.990 2.927 2.927 2.927 . 0 0 "[ ]" 1
1486 1 121 ILE MD 1 173 LEU MD1 3.700 . 4.810 2.861 2.861 2.861 . 0 0 "[ ]" 1
1487 1 121 ILE MD 1 173 LEU MD2 4.000 . 5.200 2.249 2.249 2.249 . 0 0 "[ ]" 1
1488 1 121 ILE MD 1 179 TYR HA 3.600 . 4.680 4.833 4.833 4.833 0.153 1 0 "[ ]" 1
1489 1 121 ILE MD 1 179 TYR HB3 3.200 . 4.160 3.018 3.018 3.018 . 0 0 "[ ]" 1
1490 1 121 ILE MD 1 179 TYR HB2 3.200 . 4.160 3.306 3.306 3.306 . 0 0 "[ ]" 1
1491 1 121 ILE MD 1 179 TYR QD 3.600 . 4.420 2.362 2.362 2.362 . 0 0 "[ ]" 1
1492 1 122 ASN QB 1 124 MET ME 3.200 . 4.160 3.140 3.140 3.140 . 0 0 "[ ]" 1
1493 1 124 MET ME 1 165 ASN HA 4.400 . 5.720 5.818 5.818 5.818 0.098 1 0 "[ ]" 1
1494 1 110 PRO HB3 1 125 VAL QG 2.900 . 3.770 3.813 3.813 3.813 0.043 1 0 "[ ]" 1
1495 1 110 PRO HB2 1 125 VAL QG 3.100 . 4.030 3.713 3.713 3.713 . 0 0 "[ ]" 1
1496 1 123 VAL HA 1 125 VAL QG 3.700 . 4.810 4.860 4.860 4.860 0.050 1 0 "[ ]" 1
1497 1 123 VAL QG 1 125 VAL QG 4.200 . 5.460 2.474 2.474 2.474 . 0 0 "[ ]" 1
1498 1 125 VAL QG 1 127 PHE QD 4.200 . 5.460 3.111 3.111 3.111 . 0 0 "[ ]" 1
1499 1 125 VAL QG 1 127 PHE QE 3.700 . 4.550 2.499 2.499 2.499 . 0 0 "[ ]" 1
1500 1 125 VAL QG 1 143 ILE MD 4.100 . 5.330 2.830 2.830 2.830 . 0 0 "[ ]" 1
1501 1 125 VAL QG 1 166 PHE HB3 3.500 . 4.550 2.580 2.580 2.580 . 0 0 "[ ]" 1
1502 1 125 VAL QG 1 166 PHE QE 3.900 . 5.070 4.143 4.143 4.143 . 0 0 "[ ]" 1
1503 1 125 VAL QG 1 168 TYR QD 3.900 . 5.070 5.127 5.127 5.127 0.057 1 0 "[ ]" 1
1504 1 125 VAL QG 1 181 VAL QG 3.400 . 4.420 3.601 3.601 3.601 . 0 0 "[ ]" 1
1505 1 125 VAL QG 1 183 VAL HB 3.200 . 4.160 3.455 3.455 3.455 . 0 0 "[ ]" 1
1506 1 130 ILE MD 1 132 GLU HA 2.700 . 3.510 2.183 2.183 2.183 . 0 0 "[ ]" 1
1507 1 130 ILE MD 1 132 GLU QG 3.200 . 4.160 4.212 4.212 4.212 0.052 1 0 "[ ]" 1
1508 1 130 ILE MD 1 132 GLU HB2 3.200 . 4.160 3.903 3.903 3.903 . 0 0 "[ ]" 1
1509 1 130 ILE MD 1 132 GLU HB3 3.200 . 4.160 3.364 3.364 3.364 . 0 0 "[ ]" 1
1510 1 132 GLU HA 1 135 LEU QD 2.600 . 3.380 2.677 2.677 2.677 . 0 0 "[ ]" 1
1511 1 132 GLU HB3 1 135 LEU MD1 2.900 . 3.770 3.507 3.507 3.507 . 0 0 "[ ]" 1
1512 1 132 GLU HB2 1 135 LEU MD1 3.300 . 4.290 3.215 3.215 3.215 . 0 0 "[ ]" 1
1513 1 132 GLU QG 1 135 LEU MD1 3.600 . 4.680 4.759 4.759 4.759 0.079 1 0 "[ ]" 1
1514 1 132 GLU QG 1 135 LEU MD2 3.200 . 4.160 4.226 4.226 4.226 0.066 1 0 "[ ]" 1
1515 1 132 GLU HB3 1 135 LEU MD2 3.200 . 4.160 4.017 4.017 4.017 . 0 0 "[ ]" 1
1516 1 132 GLU HB2 1 135 LEU MD2 3.200 . 4.160 2.720 2.720 2.720 . 0 0 "[ ]" 1
1517 1 135 LEU QD 1 137 PHE HB3 3.700 . 4.810 2.037 2.037 2.037 . 0 0 "[ ]" 1
1518 1 135 LEU QD 1 137 PHE HB2 3.700 . 4.810 1.846 1.846 1.846 . 0 0 "[ ]" 1
1519 1 137 PHE HB3 1 139 LEU MD1 3.300 . 4.290 4.337 4.337 4.337 0.047 1 0 "[ ]" 1
1520 1 137 PHE QD 1 139 LEU MD1 3.900 . 4.940 3.443 3.443 3.443 . 0 0 "[ ]" 1
1521 1 137 PHE HA 1 139 LEU QD 3.500 . 4.550 4.163 4.163 4.163 . 0 0 "[ ]" 1
1522 1 137 PHE HB3 1 139 LEU MD2 3.300 . 4.290 2.471 2.471 2.471 . 0 0 "[ ]" 1
1523 1 137 PHE HB2 1 139 LEU MD2 3.300 . 4.290 3.649 3.649 3.649 . 0 0 "[ ]" 1
1524 1 137 PHE QD 1 139 LEU MD2 3.900 . 4.940 2.927 2.927 2.927 . 0 0 "[ ]" 1
1525 1 139 LEU QD 1 185 LEU HB3 4.000 . 5.200 3.009 3.009 3.009 . 0 0 "[ ]" 1
1526 1 139 LEU QD 1 185 LEU HB2 4.000 . 5.200 2.728 2.728 2.728 . 0 0 "[ ]" 1
1527 1 141 LEU QD 1 156 PRO HD3 3.400 . 4.420 4.323 4.323 4.323 . 0 0 "[ ]" 1
1528 1 141 LEU QD 1 156 PRO HD2 3.400 . 4.420 3.295 3.295 3.295 . 0 0 "[ ]" 1
1529 1 141 LEU QD 1 158 ILE MD 3.400 . 4.420 3.092 3.092 3.092 . 0 0 "[ ]" 1
1530 1 141 LEU QD 1 158 ILE MG 3.200 2.100 4.070 4.055 4.055 4.055 . 0 0 "[ ]" 1
1531 1 141 LEU QD 1 166 PHE QD 3.500 . 4.550 4.226 4.226 4.226 . 0 0 "[ ]" 1
1532 1 141 LEU QD 1 166 PHE QE 3.600 . 4.680 3.973 3.973 3.973 . 0 0 "[ ]" 1
1533 1 141 LEU QD 1 183 VAL MG1 4.100 . 5.330 1.771 1.771 1.771 0.029 1 0 "[ ]" 1
1534 1 141 LEU QD 1 183 VAL MG2 3.800 2.300 4.790 3.377 3.377 3.377 . 0 0 "[ ]" 1
1535 1 141 LEU QD 1 185 LEU HA 3.400 . 4.420 2.442 2.442 2.442 . 0 0 "[ ]" 1
1536 1 140 SER HB3 1 142 VAL QG 3.200 . 4.160 4.059 4.059 4.059 . 0 0 "[ ]" 1
1537 1 142 VAL QG 1 144 GLU HA 3.500 . 4.550 3.597 3.597 3.597 . 0 0 "[ ]" 1
1538 1 142 VAL QG 1 144 GLU HB3 3.700 . 4.810 4.863 4.863 4.863 0.053 1 0 "[ ]" 1
1539 1 142 VAL QG 1 144 GLU HB2 3.500 . 4.550 4.003 4.003 4.003 . 0 0 "[ ]" 1
1540 1 142 VAL QG 1 144 GLU QG 3.500 . 4.550 2.603 2.603 2.603 . 0 0 "[ ]" 1
1541 1 142 VAL QG 1 153 LYS HA 3.000 . 3.900 2.915 2.915 2.915 . 0 0 "[ ]" 1
1542 1 142 VAL QG 1 153 LYS QB 2.700 . 3.510 2.243 2.243 2.243 . 0 0 "[ ]" 1
1543 1 142 VAL QG 1 155 LYS HA 3.300 . 4.290 2.807 2.807 2.807 . 0 0 "[ ]" 1
1544 1 142 VAL QG 1 155 LYS QB 2.800 . 3.640 2.234 2.234 2.234 . 0 0 "[ ]" 1
1545 1 142 VAL QG 1 155 LYS QG 2.600 . 3.380 3.413 3.413 3.413 0.033 1 0 "[ ]" 1
1546 1 142 VAL QG 1 184 TYR QB 3.200 . 4.160 4.108 4.108 4.108 . 0 0 "[ ]" 1
1547 1 142 VAL QG 1 184 TYR QD 3.600 . 4.420 2.714 2.714 2.714 . 0 0 "[ ]" 1
1548 1 142 VAL QG 1 184 TYR QE 3.100 . 4.030 1.943 1.943 1.943 . 0 0 "[ ]" 1
1549 1 142 VAL QG 1 186 GLU HB3 3.000 . 3.900 2.095 2.095 2.095 . 0 0 "[ ]" 1
1550 1 142 VAL QG 1 186 GLU HB2 3.000 . 3.900 3.343 3.343 3.343 . 0 0 "[ ]" 1
1551 1 142 VAL QG 1 186 GLU HG3 3.000 . 3.900 3.201 3.201 3.201 . 0 0 "[ ]" 1
1552 1 142 VAL QG 1 186 GLU HG2 3.000 . 3.900 1.878 1.878 1.878 . 0 0 "[ ]" 1
1553 1 140 SER QB 1 143 ILE MD 3.900 . 5.070 5.281 5.281 5.281 0.211 1 0 "[ ]" 1
1554 1 141 LEU HA 1 143 ILE MD 3.500 . 4.550 4.370 4.370 4.370 . 0 0 "[ ]" 1
1555 1 143 ILE MD 1 154 HIS HB3 3.300 2.200 4.170 4.072 4.072 4.072 . 0 0 "[ ]" 1
1556 1 143 ILE MD 1 154 HIS HB2 3.500 . 4.550 3.730 3.730 3.730 . 0 0 "[ ]" 1
1557 1 143 ILE MD 1 155 LYS HA 3.400 . 4.420 3.164 3.164 3.164 . 0 0 "[ ]" 1
1558 1 143 ILE MD 1 156 PRO HD3 3.500 . 4.550 2.535 2.535 2.535 . 0 0 "[ ]" 1
1559 1 143 ILE MD 1 156 PRO HD2 3.500 . 4.550 1.759 1.759 1.759 0.041 1 0 "[ ]" 1
1560 1 143 ILE MD 1 168 TYR HB3 3.200 . 4.160 4.215 4.215 4.215 0.055 1 0 "[ ]" 1
1561 1 143 ILE MD 1 168 TYR HB2 3.200 . 4.160 3.791 3.791 3.791 . 0 0 "[ ]" 1
1562 1 143 ILE MD 1 168 TYR QD 3.200 . 4.160 3.546 3.546 3.546 . 0 0 "[ ]" 1
1563 1 143 ILE MD 1 168 TYR QE 3.700 . 4.550 4.503 4.503 4.503 . 0 0 "[ ]" 1
1564 1 143 ILE MD 1 183 VAL HA 3.200 . 4.160 4.005 4.005 4.005 . 0 0 "[ ]" 1
1565 1 143 ILE MG 1 168 TYR QD 4.000 . 5.200 3.575 3.575 3.575 . 0 0 "[ ]" 1
1566 1 143 ILE MG 1 168 TYR QE 3.900 . 4.810 4.428 4.428 4.428 . 0 0 "[ ]" 1
1567 1 143 ILE MG 1 181 VAL HA 3.500 . 4.550 4.614 4.614 4.614 0.064 1 0 "[ ]" 1
1568 1 143 ILE MG 1 183 VAL HA 3.400 . 4.420 3.789 3.789 3.789 . 0 0 "[ ]" 1
1569 1 143 ILE MG 1 183 VAL MG1 3.700 . 4.810 3.684 3.684 3.684 . 0 0 "[ ]" 1
1570 1 143 ILE MG 1 183 VAL MG2 3.500 . 4.550 3.340 3.340 3.340 . 0 0 "[ ]" 1
1571 1 147 SER HA 1 150 ILE MD 3.100 . 4.030 4.151 4.151 4.151 0.121 1 0 "[ ]" 1
1572 1 147 SER QB 1 150 ILE MD 3.700 . 4.810 3.228 3.228 3.228 . 0 0 "[ ]" 1
1573 1 148 GLU HB2 1 150 ILE MD 3.200 . 4.160 3.374 3.374 3.374 . 0 0 "[ ]" 1
1574 1 148 GLU HG3 1 150 ILE MD 3.500 . 4.550 4.554 4.554 4.554 0.004 1 0 "[ ]" 1
1575 1 140 SER HA 1 158 ILE MD 3.300 . 4.290 3.389 3.389 3.389 . 0 0 "[ ]" 1
1576 1 140 SER QB 1 158 ILE MD 3.600 . 4.680 3.229 3.229 3.229 . 0 0 "[ ]" 1
1577 1 141 LEU HA 1 158 ILE MD 3.600 . 4.680 3.508 3.508 3.508 . 0 0 "[ ]" 1
1578 1 141 LEU HB3 1 158 ILE MD 2.600 . 3.380 1.771 1.771 1.771 0.029 1 0 "[ ]" 1
1579 1 141 LEU HB2 1 158 ILE MD 2.500 . 3.250 1.927 1.927 1.927 . 0 0 "[ ]" 1
1580 1 158 ILE MD 1 161 ASN HA 4.000 . 5.200 5.323 5.323 5.323 0.123 1 0 "[ ]" 1
1581 1 158 ILE MD 1 161 ASN HB3 3.600 . 4.680 3.745 3.745 3.745 . 0 0 "[ ]" 1
1582 1 158 ILE MD 1 161 ASN HB2 3.600 . 4.680 2.782 2.782 2.782 . 0 0 "[ ]" 1
1583 1 158 ILE MD 1 162 MET HA 3.600 . 4.680 4.724 4.724 4.724 0.044 1 0 "[ ]" 1
1584 1 158 ILE MD 1 162 MET QB 3.500 . 4.550 4.258 4.258 4.258 . 0 0 "[ ]" 1
1585 1 158 ILE MD 1 162 MET QG 3.100 . 4.030 3.023 3.023 3.023 . 0 0 "[ ]" 1
1586 1 158 ILE MD 1 166 PHE QD 3.900 . 5.070 3.684 3.684 3.684 . 0 0 "[ ]" 1
1587 1 158 ILE MD 1 166 PHE QE 3.700 . 4.290 1.777 1.777 1.777 0.023 1 0 "[ ]" 1
1588 1 140 SER HA 1 158 ILE MG 3.300 . 4.290 3.628 3.628 3.628 . 0 0 "[ ]" 1
1589 1 141 LEU HB3 1 158 ILE MG 2.700 . 3.510 3.570 3.570 3.570 0.060 1 0 "[ ]" 1
1590 1 141 LEU HB2 1 158 ILE MG 2.600 . 3.380 2.789 2.789 2.789 . 0 0 "[ ]" 1
1591 1 158 ILE MG 1 162 MET HA 3.400 . 4.420 3.217 3.217 3.217 . 0 0 "[ ]" 1
1592 1 158 ILE MG 1 162 MET QG 3.600 . 4.680 1.791 1.791 1.791 0.009 1 0 "[ ]" 1
1593 1 158 ILE MG 1 166 PHE QE 3.300 . 4.290 1.931 1.931 1.931 . 0 0 "[ ]" 1
1594 1 158 ILE MG 1 166 PHE HZ 3.300 . 4.290 3.563 3.563 3.563 . 0 0 "[ ]" 1
1595 1 139 LEU HB3 1 162 MET ME 3.400 . 4.420 4.555 4.555 4.555 0.135 1 0 "[ ]" 1
1596 1 139 LEU HB2 1 162 MET ME 3.400 . 4.420 4.276 4.276 4.276 . 0 0 "[ ]" 1
1597 1 140 SER HA 1 162 MET ME 4.000 . 5.200 2.790 2.790 2.790 . 0 0 "[ ]" 1
1598 1 140 SER HB3 1 162 MET ME 3.900 . 5.070 4.345 4.345 4.345 . 0 0 "[ ]" 1
1599 1 140 SER HB2 1 162 MET ME 3.900 . 5.070 4.749 4.749 4.749 . 0 0 "[ ]" 1
1600 1 158 ILE MD 1 162 MET ME 4.100 . 5.330 2.351 2.351 2.351 . 0 0 "[ ]" 1
1601 1 158 ILE QG 1 162 MET ME 4.100 . 5.330 1.968 1.968 1.968 . 0 0 "[ ]" 1
1602 1 158 ILE MG 1 162 MET ME 4.100 . 5.330 1.799 1.799 1.799 0.001 1 0 "[ ]" 1
1603 1 167 THR MG 1 169 ILE MD 2.800 . 3.640 3.185 3.185 3.185 . 0 0 "[ ]" 1
1604 1 120 HIS HD2 1 169 ILE MD 3.300 . 4.290 3.885 3.885 3.885 . 0 0 "[ ]" 1
1605 1 122 ASN HA 1 169 ILE MD 3.000 . 3.900 1.825 1.825 1.825 . 0 0 "[ ]" 1
1606 1 122 ASN HB3 1 169 ILE MD 3.500 . 4.550 3.261 3.261 3.261 . 0 0 "[ ]" 1
1607 1 122 ASN HB2 1 169 ILE MD 3.400 . 4.420 3.688 3.688 3.688 . 0 0 "[ ]" 1
1608 1 167 THR HB 1 169 ILE MD 3.700 . 4.810 4.817 4.817 4.817 0.007 1 0 "[ ]" 1
1609 1 120 HIS HA 1 169 ILE MG 3.200 . 4.160 4.317 4.317 4.317 0.157 1 0 "[ ]" 1
1610 1 120 HIS HB3 1 169 ILE MG 3.000 . 3.900 3.752 3.752 3.752 . 0 0 "[ ]" 1
1611 1 120 HIS HB2 1 169 ILE MG 3.100 . 4.030 2.622 2.622 2.622 . 0 0 "[ ]" 1
1612 1 120 HIS HD2 1 169 ILE MG 2.900 . 3.640 2.975 2.975 2.975 . 0 0 "[ ]" 1
1613 1 122 ASN HA 1 169 ILE MG 3.000 . 3.900 2.919 2.919 2.919 . 0 0 "[ ]" 1
1614 1 169 ILE MG 1 171 ASP HA 3.100 . 4.030 3.783 3.783 3.783 . 0 0 "[ ]" 1
1615 1 169 ILE MG 1 171 ASP HB3 3.000 . 3.900 2.805 2.805 2.805 . 0 0 "[ ]" 1
1616 1 169 ILE MG 1 171 ASP HB2 3.000 . 3.900 3.943 3.943 3.943 0.043 1 0 "[ ]" 1
1617 1 170 ILE MD 1 173 LEU MD1 3.700 . 4.810 4.369 4.369 4.369 . 0 0 "[ ]" 1
1618 1 170 ILE MD 1 173 LEU MD2 3.700 . 4.810 4.156 4.156 4.156 . 0 0 "[ ]" 1
1619 1 145 GLU HA 1 170 ILE MD 3.200 . 4.160 3.171 3.171 3.171 . 0 0 "[ ]" 1
1620 1 145 GLU HB3 1 170 ILE MD 3.000 . 3.900 3.274 3.274 3.274 . 0 0 "[ ]" 1
1621 1 145 GLU HB2 1 170 ILE MD 3.000 . 3.900 1.932 1.932 1.932 . 0 0 "[ ]" 1
1622 1 145 GLU HA 1 170 ILE MG 3.400 . 4.420 4.437 4.437 4.437 0.017 1 0 "[ ]" 1
1623 1 145 GLU HB3 1 170 ILE MG 3.100 . 4.030 3.103 3.103 3.103 . 0 0 "[ ]" 1
1624 1 145 GLU HB2 1 170 ILE MG 3.100 . 4.030 2.465 2.465 2.465 . 0 0 "[ ]" 1
1625 1 170 ILE MD 1 181 VAL HA 3.700 . 4.810 4.386 4.386 4.386 . 0 0 "[ ]" 1
1626 1 120 HIS HA 1 173 LEU MD1 3.700 . 4.810 2.406 2.406 2.406 . 0 0 "[ ]" 1
1627 1 145 GLU HG3 1 173 LEU QD 3.400 . 4.420 3.471 3.471 3.471 . 0 0 "[ ]" 1
1628 1 145 GLU HG2 1 173 LEU QD 3.600 . 4.680 4.127 4.127 4.127 . 0 0 "[ ]" 1
1629 1 170 ILE HA 1 173 LEU MD1 4.000 . 5.200 3.857 3.857 3.857 . 0 0 "[ ]" 1
1630 1 170 ILE HB 1 173 LEU MD1 3.600 . 4.680 2.852 2.852 2.852 . 0 0 "[ ]" 1
1631 1 120 HIS HA 1 173 LEU MD2 3.700 . 4.810 4.765 4.765 4.765 . 0 0 "[ ]" 1
1632 1 121 ILE HB 1 173 LEU MD2 3.500 . 4.550 4.551 4.551 4.551 0.001 1 0 "[ ]" 1
1633 1 170 ILE HA 1 173 LEU MD2 4.200 . 5.460 5.123 5.123 5.123 . 0 0 "[ ]" 1
1634 1 170 ILE HB 1 173 LEU MD2 3.500 . 4.550 3.496 3.496 3.496 . 0 0 "[ ]" 1
1635 1 171 ASP HA 1 173 LEU MD2 4.000 . 5.200 4.527 4.527 4.527 . 0 0 "[ ]" 1
1636 1 173 LEU MD2 1 179 TYR QE 3.800 . 4.550 4.408 4.408 4.408 . 0 0 "[ ]" 1
1637 1 114 ILE QG 1 181 VAL QG 2.700 . 3.510 1.928 1.928 1.928 . 0 0 "[ ]" 1
1638 1 143 ILE HA 1 181 VAL QG 3.100 . 4.030 3.403 3.403 3.403 . 0 0 "[ ]" 1
1639 1 145 GLU HA 1 181 VAL MG1 3.500 . 4.550 4.007 4.007 4.007 . 0 0 "[ ]" 1
1640 1 145 GLU HA 1 181 VAL MG2 3.500 . 4.550 2.573 2.573 2.573 . 0 0 "[ ]" 1
1641 1 179 TYR HA 1 181 VAL QG 3.600 . 4.680 4.643 4.643 4.643 . 0 0 "[ ]" 1
1642 1 179 TYR QB 1 181 VAL QG 3.800 . 4.940 2.666 2.666 2.666 . 0 0 "[ ]" 1
1643 1 179 TYR QD 1 181 VAL QG 3.900 . 5.070 1.793 1.793 1.793 0.007 1 0 "[ ]" 1
1644 1 181 VAL QG 1 182 SER HA 3.000 . 3.900 3.676 3.676 3.676 . 0 0 "[ ]" 1
1645 1 181 VAL QG 1 183 VAL MG1 3.500 . 4.550 4.558 4.558 4.558 0.008 1 0 "[ ]" 1
1646 1 181 VAL QG 1 183 VAL MG2 3.600 . 4.680 2.929 2.929 2.929 . 0 0 "[ ]" 1
1647 1 181 VAL QG 1 199 LYS QB 3.100 . 4.030 3.433 3.433 3.433 . 0 0 "[ ]" 1
1648 1 112 PHE HB3 1 183 VAL QG 3.600 . 4.680 2.584 2.584 2.584 . 0 0 "[ ]" 1
1649 1 112 PHE HB2 1 183 VAL QG 3.700 . 4.810 2.308 2.308 2.308 . 0 0 "[ ]" 1
1650 1 112 PHE QD 1 183 VAL QG 4.100 . 5.330 2.702 2.702 2.702 . 0 0 "[ ]" 1
1651 1 112 PHE QE 1 183 VAL QG 4.200 . 5.460 3.147 3.147 3.147 . 0 0 "[ ]" 1
1652 1 125 VAL HA 1 183 VAL QG 3.700 . 4.810 3.376 3.376 3.376 . 0 0 "[ ]" 1
1653 1 125 VAL HB 1 183 VAL QG 3.700 . 4.810 3.537 3.537 3.537 . 0 0 "[ ]" 1
1654 1 125 VAL MG1 1 183 VAL QG 3.700 . 4.810 1.688 1.688 1.688 0.112 1 0 "[ ]" 1
1655 1 125 VAL MG2 1 183 VAL QG 3.400 2.200 4.300 2.113 2.113 2.113 0.087 1 0 "[ ]" 1
1656 1 143 ILE HA 1 183 VAL QG 3.000 . 3.900 3.623 3.623 3.623 . 0 0 "[ ]" 1
1657 1 143 ILE MD 1 183 VAL QG 3.400 . 4.420 3.410 3.410 3.410 . 0 0 "[ ]" 1
1658 1 181 VAL HB 1 183 VAL QG 3.600 . 4.680 4.776 4.776 4.776 0.096 1 0 "[ ]" 1
1659 1 181 VAL QG 1 183 VAL QG 2.800 . 3.640 2.896 2.896 2.896 . 0 0 "[ ]" 1
1660 1 183 VAL QG 1 196 SER HB3 3.600 . 4.680 4.700 4.700 4.700 0.020 1 0 "[ ]" 1
1661 1 183 VAL QG 1 196 SER HB2 3.600 . 4.680 4.598 4.598 4.598 . 0 0 "[ ]" 1
1662 1 107 PHE HA 1 185 LEU QD 3.100 . 4.030 3.877 3.877 3.877 . 0 0 "[ ]" 1
1663 1 107 PHE HB3 1 185 LEU QD 3.200 . 4.160 3.097 3.097 3.097 . 0 0 "[ ]" 1
1664 1 107 PHE HB2 1 185 LEU QD 3.200 . 4.160 1.808 1.808 1.808 . 0 0 "[ ]" 1
1665 1 107 PHE QD 1 185 LEU QD 4.100 . 5.330 1.822 1.822 1.822 . 0 0 "[ ]" 1
1666 1 139 LEU QD 1 185 LEU QD 3.900 . 5.070 1.836 1.836 1.836 . 0 0 "[ ]" 1
1667 1 189 ASP HA 1 192 ALA MB 4.100 . 5.330 5.362 5.362 5.362 0.032 1 0 "[ ]" 1
1668 1 192 ALA MB 1 194 ILE QG 3.300 . 4.290 3.706 3.706 3.706 . 0 0 "[ ]" 1
1669 1 184 TYR QD 1 193 VAL QG 3.300 . 4.290 2.865 2.865 2.865 . 0 0 "[ ]" 1
1670 1 184 TYR QE 1 193 VAL QG 3.100 . 4.030 2.387 2.387 2.387 . 0 0 "[ ]" 1
1671 1 193 VAL MG1 1 195 LYS HB3 3.500 . 4.550 4.603 4.603 4.603 0.053 1 0 "[ ]" 1
1672 1 193 VAL MG1 1 195 LYS HB2 3.500 . 4.550 3.585 3.585 3.585 . 0 0 "[ ]" 1
1673 1 193 VAL MG2 1 195 LYS HB3 3.500 . 4.550 4.596 4.596 4.596 0.046 1 0 "[ ]" 1
1674 1 193 VAL MG2 1 195 LYS HB2 3.500 . 4.550 4.552 4.552 4.552 0.002 1 0 "[ ]" 1
1675 1 146 GLN HB3 1 198 LEU QD 3.100 . 4.030 3.286 3.286 3.286 . 0 0 "[ ]" 1
1676 1 146 GLN HB2 1 198 LEU QD 3.200 . 4.160 2.649 2.649 2.649 . 0 0 "[ ]" 1
1677 1 146 GLN QG 1 198 LEU QD 3.000 . 3.900 3.318 3.318 3.318 . 0 0 "[ ]" 1
1678 1 180 CYS HB3 1 198 LEU QD 2.700 . 3.510 1.764 1.764 1.764 0.036 1 0 "[ ]" 1
1679 1 180 CYS HB2 1 198 LEU QD 2.700 . 3.510 2.643 2.643 2.643 . 0 0 "[ ]" 1
1680 1 182 SER HA 1 198 LEU QD 2.900 . 3.770 3.113 3.113 3.113 . 0 0 "[ ]" 1
1681 1 182 SER HB3 1 198 LEU QD 2.700 . 3.510 2.686 2.686 2.686 . 0 0 "[ ]" 1
1682 1 182 SER HB2 1 198 LEU QD 2.500 . 3.250 1.839 1.839 1.839 . 0 0 "[ ]" 1
1683 1 198 LEU QD 1 200 CYS HA 3.700 . 4.810 4.906 4.906 4.906 0.096 1 0 "[ ]" 1
1684 1 114 ILE MG 1 201 THR MG 2.900 . 3.770 3.778 3.778 3.778 0.008 1 0 "[ ]" 1
1685 1 116 GLY HA3 1 201 THR MG 3.000 . 3.900 2.401 2.401 2.401 . 0 0 "[ ]" 1
1686 1 116 GLY HA2 1 201 THR MG 3.300 . 4.290 3.198 3.198 3.198 . 0 0 "[ ]" 1
1687 1 121 ILE HA 1 201 THR MG 3.300 . 4.290 4.302 4.302 4.302 0.012 1 0 "[ ]" 1
1688 1 179 TYR QB 1 201 THR MG 3.700 . 4.810 4.645 4.645 4.645 . 0 0 "[ ]" 1
1689 1 179 TYR QD 1 201 THR MG 4.200 . 5.460 3.344 3.344 3.344 . 0 0 "[ ]" 1
1690 1 176 ASN HA 1 202 LEU MD1 3.100 . 4.030 2.166 2.166 2.166 . 0 0 "[ ]" 1
1691 1 176 ASN HA 1 202 LEU MD2 3.100 . 4.030 3.373 3.373 3.373 . 0 0 "[ ]" 1
1692 1 176 ASN HB3 1 202 LEU QD 3.500 . 4.550 4.378 4.378 4.378 . 0 0 "[ ]" 1
1693 1 176 ASN HB2 1 202 LEU QD 3.500 . 4.550 3.913 3.913 3.913 . 0 0 "[ ]" 1
1694 1 177 THR HA 1 202 LEU QD 3.000 . 3.900 3.141 3.141 3.141 . 0 0 "[ ]" 1
1695 1 177 THR HB 1 202 LEU QD 2.600 . 3.380 3.537 3.537 3.537 0.157 1 0 "[ ]" 1
1696 1 178 ASN HA 1 202 LEU MD1 2.700 . 3.510 2.121 2.121 2.121 . 0 0 "[ ]" 1
1697 1 178 ASN HA 1 202 LEU MD2 2.700 . 3.510 3.658 3.658 3.658 0.148 1 0 "[ ]" 1
1698 1 178 ASN HB3 1 202 LEU QD 2.900 . 3.770 1.775 1.775 1.775 0.025 1 0 "[ ]" 1
1699 1 178 ASN HB2 1 202 LEU QD 3.000 . 3.900 2.907 2.907 2.907 . 0 0 "[ ]" 1
1700 1 116 GLY HA3 1 203 LEU QD 3.100 . 4.030 2.875 2.875 2.875 . 0 0 "[ ]" 1
1701 1 116 GLY HA2 1 203 LEU QD 3.100 . 4.030 3.498 3.498 3.498 . 0 0 "[ ]" 1
1702 1 107 PHE QD 1 139 LEU MD1 3.500 . 4.550 2.617 2.617 2.617 . 0 0 "[ ]" 1
1703 1 107 PHE QD 1 139 LEU MD2 3.500 . 4.550 4.572 4.572 4.572 0.022 1 0 "[ ]" 1
1704 1 107 PHE QE 1 139 LEU MD1 3.500 . 4.550 2.570 2.570 2.570 . 0 0 "[ ]" 1
1705 1 105 MET ME 1 107 PHE QR 4.000 . 5.200 3.933 3.933 3.933 . 0 0 "[ ]" 1
1706 1 107 PHE QE 1 139 LEU MD2 3.500 . 4.550 3.618 3.618 3.618 . 0 0 "[ ]" 1
1707 1 107 PHE HZ 1 139 LEU QD 4.100 . 5.330 3.996 3.996 3.996 . 0 0 "[ ]" 1
1708 1 112 PHE QD 1 114 ILE QG 2.700 . 3.510 3.573 3.573 3.573 0.063 1 0 "[ ]" 1
1709 1 112 PHE QD 1 114 ILE MG 2.900 . 3.770 2.922 2.922 2.922 . 0 0 "[ ]" 1
1710 1 112 PHE QD 1 183 VAL MG1 3.600 . 4.680 4.237 4.237 4.237 . 0 0 "[ ]" 1
1711 1 112 PHE QD 1 183 VAL MG2 3.600 . 4.680 2.734 2.734 2.734 . 0 0 "[ ]" 1
1712 1 112 PHE QE 1 114 ILE MD 3.700 . 4.810 3.855 3.855 3.855 . 0 0 "[ ]" 1
1713 1 112 PHE QE 1 114 ILE QG 2.900 . 3.770 2.914 2.914 2.914 . 0 0 "[ ]" 1
1714 1 112 PHE QE 1 114 ILE MG 3.500 . 4.550 3.162 3.162 3.162 . 0 0 "[ ]" 1
1715 1 112 PHE HZ 1 114 ILE MD 4.400 . 5.720 5.411 5.411 5.411 . 0 0 "[ ]" 1
1716 1 112 PHE HZ 1 114 ILE QG 4.200 . 5.460 5.004 5.004 5.004 . 0 0 "[ ]" 1
1717 1 112 PHE HZ 1 114 ILE MG 4.200 . 5.460 5.357 5.357 5.357 . 0 0 "[ ]" 1
1718 1 112 PHE HZ 1 183 VAL QG 4.400 . 5.720 3.723 3.723 3.723 . 0 0 "[ ]" 1
1719 1 112 PHE QD 1 125 VAL HA 3.200 . 4.160 4.187 4.187 4.187 0.027 1 0 "[ ]" 1
1720 1 112 PHE QE 1 181 VAL QG 3.400 . 4.420 3.113 3.113 3.113 . 0 0 "[ ]" 1
1721 1 112 PHE QE 1 182 SER HA 3.000 . 3.900 3.879 3.879 3.879 . 0 0 "[ ]" 1
1722 1 112 PHE HZ 1 181 VAL QG 3.800 . 4.940 4.652 4.652 4.652 . 0 0 "[ ]" 1
1723 1 112 PHE HZ 1 182 SER HA 2.700 . 3.510 3.519 3.519 3.519 0.009 1 0 "[ ]" 1
1724 1 115 VAL HB 1 117 PHE QD 3.100 . 4.030 4.047 4.047 4.047 0.017 1 0 "[ ]" 1
1725 1 127 PHE QE 1 139 LEU QD 3.300 . 4.290 4.176 4.176 4.176 . 0 0 "[ ]" 1
1726 1 127 PHE QE 1 162 MET ME 3.800 . 4.940 3.195 3.195 3.195 . 0 0 "[ ]" 1
1727 1 127 PHE HZ 1 139 LEU QD 3.500 . 4.550 4.571 4.571 4.571 0.021 1 0 "[ ]" 1
1728 1 125 VAL QG 1 127 PHE HZ 3.500 . 4.550 3.217 3.217 3.217 . 0 0 "[ ]" 1
1729 1 127 PHE QE 1 158 ILE MG 3.300 . 4.290 3.588 3.588 3.588 . 0 0 "[ ]" 1
1730 1 127 PHE HZ 1 158 ILE MG 3.300 . 4.290 4.370 4.370 4.370 0.080 1 0 "[ ]" 1
1731 1 127 PHE QE 1 158 ILE MD 3.600 . 4.680 3.502 3.502 3.502 . 0 0 "[ ]" 1
1732 1 127 PHE HZ 1 158 ILE MD 3.600 . 4.680 4.361 4.361 4.361 . 0 0 "[ ]" 1
1733 1 127 PHE HZ 1 162 MET ME 3.800 . 4.940 2.607 2.607 2.607 . 0 0 "[ ]" 1
1734 1 127 PHE QE 1 166 PHE QB 3.000 . 3.900 3.596 3.596 3.596 . 0 0 "[ ]" 1
1735 1 105 MET ME 1 137 PHE QR 3.300 . 4.290 2.212 2.212 2.212 . 0 0 "[ ]" 1
1736 1 135 LEU QD 1 137 PHE QD 3.200 . 4.160 2.193 2.193 2.193 . 0 0 "[ ]" 1
1737 1 135 LEU QD 1 137 PHE QE 3.100 . 4.030 4.115 4.115 4.115 0.085 1 0 "[ ]" 1
1738 1 137 PHE QE 1 139 LEU QD 3.400 . 4.420 2.655 2.655 2.655 . 0 0 "[ ]" 1
1739 1 137 PHE QE 1 139 LEU QB 3.600 . 4.680 3.235 3.235 3.235 . 0 0 "[ ]" 1
1740 1 137 PHE HZ 1 139 LEU QB 3.400 . 4.420 4.447 4.447 4.447 0.027 1 0 "[ ]" 1
1741 1 145 GLU HA 1 154 HIS HD2 3.500 . 4.550 4.219 4.219 4.219 . 0 0 "[ ]" 1
1742 1 154 HIS HD2 1 170 ILE MD 4.000 . 5.200 2.671 2.671 2.671 . 0 0 "[ ]" 1
1743 1 145 GLU QB 1 154 HIS HD2 2.900 . 3.770 2.107 2.107 2.107 . 0 0 "[ ]" 1
1744 1 145 GLU HG3 1 154 HIS HD2 3.700 . 4.810 3.951 3.951 3.951 . 0 0 "[ ]" 1
1745 1 145 GLU HG2 1 154 HIS HD2 3.600 . 4.680 4.725 4.725 4.725 0.045 1 0 "[ ]" 1
1746 1 154 HIS HE1 1 168 TYR QE 4.000 . 5.200 4.520 4.520 4.520 . 0 0 "[ ]" 1
1747 1 154 HIS HE1 1 170 ILE MD 4.800 . 6.240 5.118 5.118 5.118 . 0 0 "[ ]" 1
1748 1 154 HIS HE1 1 170 ILE MG 4.200 . 5.460 3.167 3.167 3.167 . 0 0 "[ ]" 1
1749 1 154 HIS HE1 1 173 LEU QD 4.800 . 6.240 5.450 5.450 5.450 . 0 0 "[ ]" 1
1750 1 162 MET HA 1 166 PHE QD 2.900 . 3.770 2.751 2.751 2.751 . 0 0 "[ ]" 1
1751 1 162 MET ME 1 166 PHE QD 3.500 . 4.550 4.579 4.579 4.579 0.029 1 0 "[ ]" 1
1752 1 162 MET HG3 1 166 PHE QD 3.100 . 4.030 3.365 3.365 3.365 . 0 0 "[ ]" 1
1753 1 162 MET HG2 1 166 PHE QD 3.300 . 4.290 4.045 4.045 4.045 . 0 0 "[ ]" 1
1754 1 162 MET HA 1 166 PHE QE 2.900 . 3.770 3.784 3.784 3.784 0.014 1 0 "[ ]" 1
1755 1 162 MET ME 1 166 PHE QE 3.600 . 4.680 3.377 3.377 3.377 . 0 0 "[ ]" 1
1756 1 162 MET HG3 1 166 PHE QE 3.000 . 3.900 2.853 2.853 2.853 . 0 0 "[ ]" 1
1757 1 162 MET HG2 1 166 PHE QE 3.400 . 4.420 4.392 4.392 4.392 . 0 0 "[ ]" 1
1758 1 158 ILE HA 1 166 PHE HZ 3.000 . 3.900 3.098 3.098 3.098 . 0 0 "[ ]" 1
1759 1 161 ASN HB3 1 166 PHE HZ 3.100 . 4.030 3.009 3.009 3.009 . 0 0 "[ ]" 1
1760 1 161 ASN HB2 1 166 PHE HZ 3.100 . 4.030 2.747 2.747 2.747 . 0 0 "[ ]" 1
1761 1 162 MET ME 1 166 PHE HZ 3.700 . 4.810 4.911 4.911 4.911 0.101 1 0 "[ ]" 1
1762 1 158 ILE MD 1 166 PHE HZ 3.500 . 4.550 1.757 1.757 1.757 0.043 1 0 "[ ]" 1
1763 1 168 TYR QD 1 170 ILE HA 3.300 . 4.290 3.996 3.996 3.996 . 0 0 "[ ]" 1
1764 1 168 TYR QE 1 170 ILE HA 2.700 . 3.510 2.212 2.212 2.212 . 0 0 "[ ]" 1
1765 1 143 ILE HG13 1 168 TYR QD 2.400 . 3.120 2.760 2.760 2.760 . 0 0 "[ ]" 1
1766 1 143 ILE HG12 1 168 TYR QD 2.800 . 3.640 3.682 3.682 3.682 0.042 1 0 "[ ]" 1
1767 1 156 PRO HA 1 168 TYR QD 3.300 . 4.290 4.333 4.333 4.333 0.043 1 0 "[ ]" 1
1768 1 156 PRO HB3 1 168 TYR QD 3.400 . 4.420 2.661 2.661 2.661 . 0 0 "[ ]" 1
1769 1 156 PRO HB2 1 168 TYR QD 2.900 . 3.770 3.457 3.457 3.457 . 0 0 "[ ]" 1
1770 1 168 TYR QD 1 170 ILE MD 2.900 . 3.770 3.713 3.713 3.713 . 0 0 "[ ]" 1
1771 1 168 TYR QD 1 170 ILE HG13 2.900 . 3.770 3.179 3.179 3.179 . 0 0 "[ ]" 1
1772 1 143 ILE HG13 1 168 TYR QE 3.000 . 3.900 3.686 3.686 3.686 . 0 0 "[ ]" 1
1773 1 143 ILE HG12 1 168 TYR QE 2.800 . 3.640 3.680 3.680 3.680 0.040 1 0 "[ ]" 1
1774 1 156 PRO HA 1 168 TYR QE 3.300 . 4.290 4.030 4.030 4.030 . 0 0 "[ ]" 1
1775 1 156 PRO HB3 1 168 TYR QE 3.200 . 4.160 3.630 3.630 3.630 . 0 0 "[ ]" 1
1776 1 168 TYR QE 1 170 ILE MD 3.400 . 4.420 3.333 3.333 3.333 . 0 0 "[ ]" 1
1777 1 168 TYR QE 1 170 ILE HG13 2.800 . 3.640 3.321 3.321 3.321 . 0 0 "[ ]" 1
1778 1 147 SER HA 1 179 TYR QD 3.000 . 3.900 3.428 3.428 3.428 . 0 0 "[ ]" 1
1779 1 147 SER QB 1 179 TYR QD 3.000 . 3.900 2.157 2.157 2.157 . 0 0 "[ ]" 1
1780 1 173 LEU MD1 1 179 TYR QD 3.700 . 4.810 4.807 4.807 4.807 . 0 0 "[ ]" 1
1781 1 173 LEU MD2 1 179 TYR QD 3.700 . 4.810 3.833 3.833 3.833 . 0 0 "[ ]" 1
1782 1 177 THR HB 1 179 TYR QD 2.700 . 3.510 2.755 2.755 2.755 . 0 0 "[ ]" 1
1783 1 179 TYR QD 1 181 VAL HB 3.200 . 4.160 3.487 3.487 3.487 . 0 0 "[ ]" 1
1784 1 147 SER QB 1 179 TYR QE 3.100 . 4.030 4.137 4.137 4.137 0.107 1 0 "[ ]" 1
1785 1 173 LEU MD1 1 179 TYR QE 3.500 . 4.550 4.382 4.382 4.382 . 0 0 "[ ]" 1
1786 1 177 THR HB 1 179 TYR QE 2.400 . 3.120 3.187 3.187 3.187 0.067 1 0 "[ ]" 1
1787 1 179 TYR QE 1 181 VAL HB 3.100 . 4.030 4.150 4.150 4.150 0.120 1 0 "[ ]" 1
1788 1 114 ILE QG 1 179 TYR QD 3.300 . 4.290 4.374 4.374 4.374 0.084 1 0 "[ ]" 1
1789 1 121 ILE MD 1 179 TYR QE 3.900 . 5.070 2.599 2.599 2.599 . 0 0 "[ ]" 1
1790 1 144 GLU HB3 1 184 TYR QD 3.500 . 4.550 4.593 4.593 4.593 0.043 1 0 "[ ]" 1
1791 1 144 GLU HB2 1 184 TYR QD 3.500 . 4.550 3.341 3.341 3.341 . 0 0 "[ ]" 1
1792 1 144 GLU HG2 1 184 TYR QD 3.500 . 4.550 4.641 4.641 4.641 0.091 1 0 "[ ]" 1
1793 1 184 TYR QD 1 186 GLU QG 3.700 . 4.810 4.617 4.617 4.617 . 0 0 "[ ]" 1
1794 1 184 TYR QD 1 193 VAL HB 3.500 . 4.550 3.931 3.931 3.931 . 0 0 "[ ]" 1
1795 1 184 TYR QD 1 195 LYS HB3 3.400 . 4.420 4.117 4.117 4.117 . 0 0 "[ ]" 1
1796 1 184 TYR QD 1 195 LYS HB2 3.400 . 4.420 2.414 2.414 2.414 . 0 0 "[ ]" 1
1797 1 184 TYR QD 1 195 LYS HE3 3.500 . 4.550 4.172 4.172 4.172 . 0 0 "[ ]" 1
1798 1 184 TYR QD 1 195 LYS HE2 3.700 . 4.810 4.330 4.330 4.330 . 0 0 "[ ]" 1
1799 1 184 TYR QD 1 195 LYS HG3 3.200 . 4.160 3.059 3.059 3.059 . 0 0 "[ ]" 1
1800 1 184 TYR QD 1 195 LYS HG2 3.300 . 4.290 4.318 4.318 4.318 0.028 1 0 "[ ]" 1
1801 1 144 GLU HB3 1 184 TYR QE 3.200 . 4.160 4.231 4.231 4.231 0.071 1 0 "[ ]" 1
1802 1 144 GLU HB2 1 184 TYR QE 3.200 . 4.160 3.573 3.573 3.573 . 0 0 "[ ]" 1
1803 1 144 GLU HG3 1 184 TYR QE 3.100 . 4.030 1.777 1.777 1.777 0.023 1 0 "[ ]" 1
1804 1 144 GLU HG2 1 184 TYR QE 3.000 . 3.900 3.044 3.044 3.044 . 0 0 "[ ]" 1
1805 1 184 TYR QE 1 186 GLU QG 3.800 . 4.940 4.121 4.121 4.121 . 0 0 "[ ]" 1
1806 1 184 TYR QE 1 193 VAL HB 3.500 . 4.550 4.363 4.363 4.363 . 0 0 "[ ]" 1
1807 1 184 TYR QE 1 195 LYS HE3 3.500 . 4.550 4.554 4.554 4.554 0.004 1 0 "[ ]" 1
1808 1 184 TYR QE 1 195 LYS HE2 3.500 . 4.550 4.555 4.555 4.555 0.005 1 0 "[ ]" 1
1809 1 184 TYR QE 1 195 LYS QG 4.000 . 5.200 4.398 4.398 4.398 . 0 0 "[ ]" 1
1810 1 20 ASN HA 1 127 PHE HA 3.100 . 4.030 4.146 4.146 4.146 0.116 1 0 "[ ]" 1
1811 1 20 ASN HA 1 128 PRO HD3 3.500 . 4.550 2.084 2.084 2.084 . 0 0 "[ ]" 1
1812 1 20 ASN HA 1 127 PHE HD1 3.500 . 4.550 3.851 3.851 3.851 . 0 0 "[ ]" 1
1813 1 20 ASN QB 1 128 PRO HG3 3.000 . 3.900 1.932 1.932 1.932 . 0 0 "[ ]" 1
1814 1 20 ASN QB 1 128 PRO HG2 3.000 . 3.900 3.548 3.548 3.548 . 0 0 "[ ]" 1
1815 1 20 ASN QB 1 128 PRO QB 2.900 . 3.770 2.242 2.242 2.242 . 0 0 "[ ]" 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 134
_Distance_constraint_stats_list.Viol_count 47
_Distance_constraint_stats_list.Viol_total 2.000
_Distance_constraint_stats_list.Viol_max 0.162
_Distance_constraint_stats_list.Viol_rms 0.0284
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.0426
_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 13 THR 0.073 0.040 1 0 "[ ]"
1 15 LYS 0.118 0.079 1 0 "[ ]"
1 17 SER 0.058 0.048 1 0 "[ ]"
1 19 ARG 0.000 0.000 . 0 "[ ]"
1 22 ARG 0.000 0.000 . 0 "[ ]"
1 23 SER 0.216 0.162 1 0 "[ ]"
1 24 ILE 0.058 0.048 1 0 "[ ]"
1 25 LEU 0.000 0.000 . 0 "[ ]"
1 26 SER 0.118 0.079 1 0 "[ ]"
1 28 GLU 0.073 0.040 1 0 "[ ]"
1 40 THR 0.019 0.019 1 0 "[ ]"
1 41 LEU 0.051 0.051 1 0 "[ ]"
1 42 LEU 0.072 0.064 1 0 "[ ]"
1 43 TYR 0.000 0.000 . 0 "[ ]"
1 44 THR 0.158 0.132 1 0 "[ ]"
1 53 LYS 0.000 0.000 . 0 "[ ]"
1 55 VAL 0.051 0.051 1 0 "[ ]"
1 66 CYS 0.000 0.000 . 0 "[ ]"
1 68 LEU 0.216 0.162 1 0 "[ ]"
1 79 TYR 0.038 0.038 1 0 "[ ]"
1 80 VAL 0.158 0.132 1 0 "[ ]"
1 81 THR 0.000 0.000 . 0 "[ ]"
1 82 VAL 0.072 0.064 1 0 "[ ]"
1 83 LEU 0.000 0.000 . 0 "[ ]"
1 84 GLU 0.019 0.019 1 0 "[ ]"
1 87 SER 0.055 0.048 1 0 "[ ]"
1 90 THR 0.055 0.048 1 0 "[ ]"
1 95 CYS 0.000 0.000 . 0 "[ ]"
1 97 HIS 0.000 0.000 . 0 "[ ]"
1 99 PHE 0.038 0.038 1 0 "[ ]"
1 100 TRP 0.060 0.033 1 0 "[ ]"
1 101 LEU 0.000 0.000 . 0 "[ ]"
1 104 ASP 0.060 0.033 1 0 "[ ]"
1 105 MET 0.000 0.000 . 0 "[ ]"
1 111 GLU 0.092 0.068 1 0 "[ ]"
1 113 GLU 0.027 0.027 1 0 "[ ]"
1 115 VAL 0.131 0.086 1 0 "[ ]"
1 117 PHE 0.000 0.000 . 0 "[ ]"
1 120 HIS 0.000 0.000 . 0 "[ ]"
1 121 ILE 0.000 0.000 . 0 "[ ]"
1 122 ASN 0.131 0.086 1 0 "[ ]"
1 123 VAL 0.093 0.050 1 0 "[ ]"
1 124 MET 0.027 0.027 1 0 "[ ]"
1 125 VAL 0.055 0.031 1 0 "[ ]"
1 126 LYS 0.092 0.068 1 0 "[ ]"
1 127 PHE 0.121 0.121 1 0 "[ ]"
1 131 VAL 0.032 0.032 1 0 "[ ]"
1 132 GLU 0.025 0.025 1 0 "[ ]"
1 134 GLU 0.032 0.032 1 0 "[ ]"
1 135 LEU 0.025 0.025 1 0 "[ ]"
1 140 SER 0.029 0.025 1 0 "[ ]"
1 142 VAL 0.030 0.018 1 0 "[ ]"
1 143 ILE 0.115 0.060 1 0 "[ ]"
1 144 GLU 0.032 0.032 1 0 "[ ]"
1 145 GLU 0.000 0.000 . 0 "[ ]"
1 146 GLN 0.056 0.056 1 0 "[ ]"
1 147 SER 0.109 0.097 1 0 "[ ]"
1 150 ILE 0.109 0.097 1 0 "[ ]"
1 152 LYS 0.000 0.000 . 0 "[ ]"
1 154 HIS 0.115 0.060 1 0 "[ ]"
1 164 GLY 0.121 0.121 1 0 "[ ]"
1 166 PHE 0.055 0.031 1 0 "[ ]"
1 168 TYR 0.093 0.050 1 0 "[ ]"
1 170 ILE 0.000 0.000 . 0 "[ ]"
1 179 TYR 0.040 0.039 1 0 "[ ]"
1 180 CYS 0.056 0.056 1 0 "[ ]"
1 181 VAL 0.095 0.052 1 0 "[ ]"
1 182 SER 0.032 0.032 1 0 "[ ]"
1 184 TYR 0.030 0.018 1 0 "[ ]"
1 186 GLU 0.029 0.025 1 0 "[ ]"
1 199 LYS 0.095 0.052 1 0 "[ ]"
1 201 THR 0.040 0.039 1 0 "[ ]"
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 13 THR H 1 28 GLU O 2.050 . 2.300 2.334 2.334 2.334 0.034 1 0 "[ ]" 2
2 1 13 THR N 1 28 GLU O 2.900 2.500 3.300 3.273 3.273 3.273 . 0 0 "[ ]" 2
3 1 13 THR O 1 28 GLU H 2.050 . 2.300 1.883 1.883 1.883 . 0 0 "[ ]" 2
4 1 13 THR O 1 28 GLU N 2.900 2.500 3.300 2.460 2.460 2.460 0.040 1 0 "[ ]" 2
5 1 15 LYS H 1 26 SER O 2.050 . 2.300 2.339 2.339 2.339 0.039 1 0 "[ ]" 2
6 1 15 LYS N 1 26 SER O 2.900 2.500 3.300 3.186 3.186 3.186 . 0 0 "[ ]" 2
7 1 15 LYS O 1 26 SER H 2.050 . 2.300 1.721 1.721 1.721 0.079 1 0 "[ ]" 2
8 1 15 LYS O 1 26 SER N 2.900 2.500 3.300 2.684 2.684 2.684 . 0 0 "[ ]" 2
9 1 17 SER H 1 24 ILE O 2.050 . 2.300 1.752 1.752 1.752 0.048 1 0 "[ ]" 2
10 1 17 SER N 1 24 ILE O 2.900 2.500 3.300 2.724 2.724 2.724 . 0 0 "[ ]" 2
11 1 17 SER O 1 24 ILE H 2.050 . 2.300 2.310 2.310 2.310 0.010 1 0 "[ ]" 2
12 1 17 SER O 1 24 ILE N 2.900 2.500 3.300 3.004 3.004 3.004 . 0 0 "[ ]" 2
13 1 19 ARG H 1 22 ARG O 2.050 . 2.300 2.066 2.066 2.066 . 0 0 "[ ]" 2
14 1 19 ARG N 1 22 ARG O 2.900 2.500 3.300 2.882 2.882 2.882 . 0 0 "[ ]" 2
15 1 19 ARG O 1 22 ARG H 2.050 . 2.300 2.207 2.207 2.207 . 0 0 "[ ]" 2
16 1 19 ARG O 1 22 ARG N 2.900 2.500 3.300 2.859 2.859 2.859 . 0 0 "[ ]" 2
17 1 23 SER H 1 68 LEU O 2.050 . 2.300 2.462 2.462 2.462 0.162 1 0 "[ ]" 2
18 1 23 SER N 1 68 LEU O 2.900 2.500 3.300 2.973 2.973 2.973 . 0 0 "[ ]" 2
19 1 23 SER O 1 68 LEU H 2.050 . 2.300 1.755 1.755 1.755 0.045 1 0 "[ ]" 2
20 1 23 SER O 1 68 LEU N 2.900 2.500 3.300 2.491 2.491 2.491 0.009 1 0 "[ ]" 2
21 1 25 LEU H 1 66 CYS O 2.050 . 2.300 2.156 2.156 2.156 . 0 0 "[ ]" 2
22 1 25 LEU N 1 66 CYS O 2.900 2.500 3.300 2.771 2.771 2.771 . 0 0 "[ ]" 2
23 1 25 LEU O 1 66 CYS H 2.050 . 2.300 2.121 2.121 2.121 . 0 0 "[ ]" 2
24 1 25 LEU O 1 66 CYS N 2.900 2.500 3.300 2.844 2.844 2.844 . 0 0 "[ ]" 2
25 1 43 TYR H 1 53 LYS O 2.050 . 2.300 2.193 2.193 2.193 . 0 0 "[ ]" 2
26 1 43 TYR N 1 53 LYS O 2.900 2.500 3.300 3.111 3.111 3.111 . 0 0 "[ ]" 2
27 1 43 TYR O 1 53 LYS H 2.050 . 2.300 1.921 1.921 1.921 . 0 0 "[ ]" 2
28 1 43 TYR O 1 53 LYS N 2.900 2.500 3.300 2.793 2.793 2.793 . 0 0 "[ ]" 2
29 1 41 LEU O 1 55 VAL H 2.050 . 2.300 2.351 2.351 2.351 0.051 1 0 "[ ]" 2
30 1 41 LEU O 1 55 VAL N 2.900 2.500 3.300 3.213 3.213 3.213 . 0 0 "[ ]" 2
31 1 40 THR H 1 84 GLU O 2.050 . 2.300 2.319 2.319 2.319 0.019 1 0 "[ ]" 2
32 1 40 THR N 1 84 GLU O 2.900 2.500 3.300 2.950 2.950 2.950 . 0 0 "[ ]" 2
33 1 40 THR O 1 84 GLU H 2.050 . 2.300 2.144 2.144 2.144 . 0 0 "[ ]" 2
34 1 40 THR O 1 84 GLU N 2.900 2.500 3.300 2.932 2.932 2.932 . 0 0 "[ ]" 2
35 1 42 LEU H 1 82 VAL O 2.050 . 2.300 2.308 2.308 2.308 0.008 1 0 "[ ]" 2
36 1 42 LEU N 1 82 VAL O 2.900 2.500 3.300 3.005 3.005 3.005 . 0 0 "[ ]" 2
37 1 42 LEU O 1 82 VAL H 2.050 . 2.300 1.736 1.736 1.736 0.064 1 0 "[ ]" 2
38 1 42 LEU O 1 82 VAL N 2.900 2.500 3.300 2.541 2.541 2.541 . 0 0 "[ ]" 2
39 1 44 THR H 1 80 VAL O 2.050 . 2.300 1.668 1.668 1.668 0.132 1 0 "[ ]" 2
40 1 44 THR N 1 80 VAL O 2.900 2.500 3.300 2.511 2.511 2.511 . 0 0 "[ ]" 2
41 1 44 THR O 1 80 VAL H 2.050 . 2.300 2.325 2.325 2.325 0.025 1 0 "[ ]" 2
42 1 44 THR O 1 80 VAL N 2.900 2.500 3.300 2.658 2.658 2.658 . 0 0 "[ ]" 2
43 1 87 SER H 1 90 THR O 2.050 . 2.300 1.950 1.950 1.950 . 0 0 "[ ]" 2
44 1 87 SER N 1 90 THR O 2.900 2.500 3.300 2.452 2.452 2.452 0.048 1 0 "[ ]" 2
45 1 87 SER O 1 90 THR H 2.050 . 2.300 2.308 2.308 2.308 0.008 1 0 "[ ]" 2
46 1 87 SER O 1 90 THR N 2.900 2.500 3.300 3.266 3.266 3.266 . 0 0 "[ ]" 2
47 1 83 LEU H 1 95 CYS O 2.050 . 2.300 1.908 1.908 1.908 . 0 0 "[ ]" 2
48 1 83 LEU N 1 95 CYS O 2.900 2.500 3.300 2.608 2.608 2.608 . 0 0 "[ ]" 2
49 1 83 LEU O 1 95 CYS H 2.050 . 2.300 2.205 2.205 2.205 . 0 0 "[ ]" 2
50 1 83 LEU O 1 95 CYS N 2.900 2.500 3.300 3.158 3.158 3.158 . 0 0 "[ ]" 2
51 1 81 THR H 1 97 HIS O 2.050 . 2.300 1.859 1.859 1.859 . 0 0 "[ ]" 2
52 1 81 THR N 1 97 HIS O 2.900 2.500 3.300 2.824 2.824 2.824 . 0 0 "[ ]" 2
53 1 81 THR O 1 97 HIS H 2.050 . 2.300 1.971 1.971 1.971 . 0 0 "[ ]" 2
54 1 81 THR O 1 97 HIS N 2.900 2.500 3.300 2.741 2.741 2.741 . 0 0 "[ ]" 2
55 1 79 TYR H 1 99 PHE O 2.050 . 2.300 2.338 2.338 2.338 0.038 1 0 "[ ]" 2
56 1 79 TYR N 1 99 PHE O 2.900 2.500 3.300 2.708 2.708 2.708 . 0 0 "[ ]" 2
57 1 79 TYR O 1 99 PHE H 2.050 . 2.300 2.266 2.266 2.266 . 0 0 "[ ]" 2
58 1 79 TYR O 1 99 PHE N 2.900 2.500 3.300 3.126 3.126 3.126 . 0 0 "[ ]" 2
59 1 100 TRP O 1 104 ASP H 2.050 . 2.300 1.767 1.767 1.767 0.033 1 0 "[ ]" 2
60 1 100 TRP O 1 104 ASP N 2.900 2.500 3.300 2.473 2.473 2.473 0.027 1 0 "[ ]" 2
61 1 101 LEU O 1 105 MET H 2.050 . 2.300 1.921 1.921 1.921 . 0 0 "[ ]" 2
62 1 101 LEU O 1 105 MET N 2.900 2.500 3.300 2.588 2.588 2.588 . 0 0 "[ ]" 2
63 1 111 GLU H 1 126 LYS O 2.050 . 2.300 2.368 2.368 2.368 0.068 1 0 "[ ]" 2
64 1 111 GLU N 1 126 LYS O 2.900 2.500 3.300 3.148 3.148 3.148 . 0 0 "[ ]" 2
65 1 111 GLU O 1 126 LYS H 2.050 . 2.300 1.776 1.776 1.776 0.024 1 0 "[ ]" 2
66 1 111 GLU O 1 126 LYS N 2.900 2.500 3.300 2.501 2.501 2.501 . 0 0 "[ ]" 2
67 1 113 GLU H 1 124 MET O 2.050 . 2.300 1.896 1.896 1.896 . 0 0 "[ ]" 2
68 1 113 GLU N 1 124 MET O 2.900 2.500 3.300 2.866 2.866 2.866 . 0 0 "[ ]" 2
69 1 113 GLU O 1 124 MET H 2.050 . 2.300 1.773 1.773 1.773 0.027 1 0 "[ ]" 2
70 1 113 GLU O 1 124 MET N 2.900 2.500 3.300 2.732 2.732 2.732 . 0 0 "[ ]" 2
71 1 115 VAL H 1 122 ASN O 2.050 . 2.300 1.714 1.714 1.714 0.086 1 0 "[ ]" 2
72 1 115 VAL N 1 122 ASN O 2.900 2.500 3.300 2.579 2.579 2.579 . 0 0 "[ ]" 2
73 1 115 VAL O 1 122 ASN H 2.050 . 2.300 1.755 1.755 1.755 0.045 1 0 "[ ]" 2
74 1 115 VAL O 1 122 ASN N 2.900 2.500 3.300 2.557 2.557 2.557 . 0 0 "[ ]" 2
75 1 117 PHE H 1 120 HIS O 2.050 . 2.300 1.808 1.808 1.808 . 0 0 "[ ]" 2
76 1 117 PHE N 1 120 HIS O 2.900 2.500 3.300 2.644 2.644 2.644 . 0 0 "[ ]" 2
77 1 117 PHE O 1 120 HIS H 2.050 . 2.300 2.067 2.067 2.067 . 0 0 "[ ]" 2
78 1 117 PHE O 1 120 HIS N 2.900 2.500 3.300 3.018 3.018 3.018 . 0 0 "[ ]" 2
79 1 121 ILE H 1 170 ILE O 2.050 . 2.300 1.914 1.914 1.914 . 0 0 "[ ]" 2
80 1 121 ILE N 1 170 ILE O 2.900 2.500 3.300 2.536 2.536 2.536 . 0 0 "[ ]" 2
81 1 121 ILE O 1 170 ILE H 2.050 . 2.300 2.233 2.233 2.233 . 0 0 "[ ]" 2
82 1 121 ILE O 1 170 ILE N 2.900 2.500 3.300 2.867 2.867 2.867 . 0 0 "[ ]" 2
83 1 123 VAL H 1 168 TYR O 2.050 . 2.300 1.750 1.750 1.750 0.050 1 0 "[ ]" 2
84 1 123 VAL N 1 168 TYR O 2.900 2.500 3.300 2.575 2.575 2.575 . 0 0 "[ ]" 2
85 1 123 VAL O 1 168 TYR H 2.050 . 2.300 1.757 1.757 1.757 0.043 1 0 "[ ]" 2
86 1 123 VAL O 1 168 TYR N 2.900 2.500 3.300 2.714 2.714 2.714 . 0 0 "[ ]" 2
87 1 125 VAL H 1 166 PHE O 2.050 . 2.300 2.324 2.324 2.324 0.024 1 0 "[ ]" 2
88 1 125 VAL N 1 166 PHE O 2.900 2.500 3.300 3.020 3.020 3.020 . 0 0 "[ ]" 2
89 1 125 VAL O 1 166 PHE H 2.050 . 2.300 1.769 1.769 1.769 0.031 1 0 "[ ]" 2
90 1 125 VAL O 1 166 PHE N 2.900 2.500 3.300 2.527 2.527 2.527 . 0 0 "[ ]" 2
91 1 127 PHE H 1 164 GLY O 2.050 . 2.300 1.847 1.847 1.847 . 0 0 "[ ]" 2
92 1 127 PHE N 1 164 GLY O 2.900 2.500 3.300 2.564 2.564 2.564 . 0 0 "[ ]" 2
93 1 127 PHE O 1 164 GLY H 2.050 . 2.300 2.421 2.421 2.421 0.121 1 0 "[ ]" 2
94 1 127 PHE O 1 164 GLY N 2.900 2.500 3.300 2.603 2.603 2.603 . 0 0 "[ ]" 2
95 1 143 ILE H 1 154 HIS O 2.050 . 2.300 1.798 1.798 1.798 0.002 1 0 "[ ]" 2
96 1 143 ILE N 1 154 HIS O 2.900 2.500 3.300 2.447 2.447 2.447 0.053 1 0 "[ ]" 2
97 1 143 ILE O 1 154 HIS H 2.050 . 2.300 1.740 1.740 1.740 0.060 1 0 "[ ]" 2
98 1 143 ILE O 1 154 HIS N 2.900 2.500 3.300 2.594 2.594 2.594 . 0 0 "[ ]" 2
99 1 145 GLU H 1 152 LYS O 2.050 . 2.300 2.100 2.100 2.100 . 0 0 "[ ]" 2
100 1 145 GLU N 1 152 LYS O 2.900 2.500 3.300 2.764 2.764 2.764 . 0 0 "[ ]" 2
101 1 145 GLU O 1 152 LYS H 2.050 . 2.300 2.151 2.151 2.151 . 0 0 "[ ]" 2
102 1 145 GLU O 1 152 LYS N 2.900 2.500 3.300 2.689 2.689 2.689 . 0 0 "[ ]" 2
103 1 147 SER H 1 150 ILE O 2.050 . 2.300 2.312 2.312 2.312 0.012 1 0 "[ ]" 2
104 1 147 SER N 1 150 ILE O 2.900 2.500 3.300 2.789 2.789 2.789 . 0 0 "[ ]" 2
105 1 147 SER O 1 150 ILE H 2.050 . 2.300 1.703 1.703 1.703 0.097 1 0 "[ ]" 2
106 1 147 SER O 1 150 ILE N 2.900 2.500 3.300 2.640 2.640 2.640 . 0 0 "[ ]" 2
107 1 140 SER H 1 186 GLU O 2.050 . 2.300 2.303 2.303 2.303 0.003 1 0 "[ ]" 2
108 1 140 SER N 1 186 GLU O 2.900 2.500 3.300 3.243 3.243 3.243 . 0 0 "[ ]" 2
109 1 140 SER O 1 186 GLU H 2.050 . 2.300 2.325 2.325 2.325 0.025 1 0 "[ ]" 2
110 1 140 SER O 1 186 GLU N 2.900 2.500 3.300 3.250 3.250 3.250 . 0 0 "[ ]" 2
111 1 142 VAL H 1 184 TYR O 2.050 . 2.300 1.782 1.782 1.782 0.018 1 0 "[ ]" 2
112 1 142 VAL N 1 184 TYR O 2.900 2.500 3.300 2.510 2.510 2.510 . 0 0 "[ ]" 2
113 1 142 VAL O 1 184 TYR H 2.050 . 2.300 2.313 2.313 2.313 0.013 1 0 "[ ]" 2
114 1 142 VAL O 1 184 TYR N 2.900 2.500 3.300 3.115 3.115 3.115 . 0 0 "[ ]" 2
115 1 144 GLU H 1 182 SER O 2.050 . 2.300 2.332 2.332 2.332 0.032 1 0 "[ ]" 2
116 1 144 GLU N 1 182 SER O 2.900 2.500 3.300 3.217 3.217 3.217 . 0 0 "[ ]" 2
117 1 144 GLU O 1 182 SER H 2.050 . 2.300 2.208 2.208 2.208 . 0 0 "[ ]" 2
118 1 144 GLU O 1 182 SER N 2.900 2.500 3.300 3.092 3.092 3.092 . 0 0 "[ ]" 2
119 1 146 GLN H 1 180 CYS O 2.050 . 2.300 2.356 2.356 2.356 0.056 1 0 "[ ]" 2
120 1 146 GLN N 1 180 CYS O 2.900 2.500 3.300 3.178 3.178 3.178 . 0 0 "[ ]" 2
121 1 146 GLN O 1 180 CYS H 2.050 . 2.300 2.057 2.057 2.057 . 0 0 "[ ]" 2
122 1 146 GLN O 1 180 CYS N 2.900 2.500 3.300 2.962 2.962 2.962 . 0 0 "[ ]" 2
123 1 179 TYR H 1 201 THR O 2.050 . 2.300 2.339 2.339 2.339 0.039 1 0 "[ ]" 2
124 1 179 TYR N 1 201 THR O 2.900 2.500 3.300 3.301 3.301 3.301 0.001 1 0 "[ ]" 2
125 1 179 TYR O 1 201 THR H 2.050 . 2.300 2.299 2.299 2.299 . 0 0 "[ ]" 2
126 1 179 TYR O 1 201 THR N 2.900 2.500 3.300 2.980 2.980 2.980 . 0 0 "[ ]" 2
127 1 181 VAL H 1 199 LYS O 2.050 . 2.300 1.758 1.758 1.758 0.042 1 0 "[ ]" 2
128 1 181 VAL N 1 199 LYS O 2.900 2.500 3.300 2.692 2.692 2.692 . 0 0 "[ ]" 2
129 1 181 VAL O 1 199 LYS H 2.050 . 2.300 2.352 2.352 2.352 0.052 1 0 "[ ]" 2
130 1 181 VAL O 1 199 LYS N 2.900 2.500 3.300 3.065 3.065 3.065 . 0 0 "[ ]" 2
131 1 131 VAL O 1 134 GLU H 2.050 . 2.300 1.768 1.768 1.768 0.032 1 0 "[ ]" 2
132 1 131 VAL O 1 134 GLU N 2.900 2.500 3.300 2.658 2.658 2.658 . 0 0 "[ ]" 2
133 1 132 GLU O 1 135 LEU H 2.050 . 2.300 1.775 1.775 1.775 0.025 1 0 "[ ]" 2
134 1 132 GLU O 1 135 LEU N 2.900 2.500 3.300 2.693 2.693 2.693 . 0 0 "[ ]" 2
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