NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
482484 |
1pfs   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1pfs
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 2037
_Distance_constraint_stats_list.Viol_count 411
_Distance_constraint_stats_list.Viol_total 28.072
_Distance_constraint_stats_list.Viol_max 0.851
_Distance_constraint_stats_list.Viol_rms 0.0426
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0138
_Distance_constraint_stats_list.Viol_average_violations_only 0.0683
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.151 0.070 1 0 "[ ]"
1 2 ASN 0.151 0.129 1 0 "[ ]"
1 3 ILE 0.549 0.216 1 0 "[ ]"
1 4 GLN 0.002 0.002 1 0 "[ ]"
1 5 ILE 0.306 0.092 1 0 "[ ]"
1 6 THR 0.045 0.045 1 0 "[ ]"
1 7 PHE 0.261 0.095 1 0 "[ ]"
1 8 THR 0.117 0.061 1 0 "[ ]"
1 9 ASP 0.129 0.129 1 0 "[ ]"
1 10 SER 0.456 0.137 1 0 "[ ]"
1 11 VAL 0.399 0.166 1 0 "[ ]"
1 12 ARG 0.147 0.095 1 0 "[ ]"
1 13 GLN 0.355 0.140 1 0 "[ ]"
1 14 GLY 0.000 0.000 . 0 "[ ]"
1 15 THR 0.187 0.103 1 0 "[ ]"
1 16 SER 0.081 0.035 1 0 "[ ]"
1 17 ALA 0.209 0.099 1 0 "[ ]"
1 18 LYS 0.237 0.172 1 0 "[ ]"
1 19 GLY 0.000 0.000 . 0 "[ ]"
1 20 ASN 0.068 0.028 1 0 "[ ]"
1 21 PRO 0.175 0.055 1 0 "[ ]"
1 22 TYR 0.030 0.016 1 0 "[ ]"
1 23 THR 0.597 0.236 1 0 "[ ]"
1 24 PHE 0.510 0.236 1 0 "[ ]"
1 25 GLN 0.509 0.166 1 0 "[ ]"
1 26 GLU 0.308 0.172 1 0 "[ ]"
1 27 GLY 0.338 0.172 1 0 "[ ]"
1 28 PHE 0.475 0.232 1 0 "[ ]"
1 29 LEU 0.568 0.141 1 0 "[ ]"
1 30 HIS 0.188 0.110 1 0 "[ ]"
1 31 LEU 0.179 0.063 1 0 "[ ]"
1 32 GLU 0.582 0.260 1 0 "[ ]"
1 33 ASP 0.311 0.260 1 0 "[ ]"
1 34 LYS 0.157 0.061 1 0 "[ ]"
1 35 PRO 0.020 0.017 1 0 "[ ]"
1 36 HIS 0.310 0.088 1 0 "[ ]"
1 37 PRO 0.346 0.088 1 0 "[ ]"
1 38 LEU 0.064 0.052 1 0 "[ ]"
1 39 GLN 0.534 0.232 1 0 "[ ]"
1 40 CYS 0.345 0.251 1 0 "[ ]"
1 41 GLN 0.423 0.177 1 0 "[ ]"
1 42 PHE 0.459 0.138 1 0 "[ ]"
1 43 PHE 0.188 0.105 1 0 "[ ]"
1 44 VAL 0.195 0.105 1 0 "[ ]"
1 45 GLU 0.061 0.055 1 0 "[ ]"
1 46 SER 0.194 0.194 1 0 "[ ]"
1 47 VAL 0.101 0.075 1 0 "[ ]"
1 48 ILE 0.340 0.081 1 0 "[ ]"
1 49 PRO 0.385 0.153 1 0 "[ ]"
1 50 ALA 0.224 0.129 1 0 "[ ]"
1 51 GLY 0.017 0.017 1 0 "[ ]"
1 52 SER 0.045 0.045 1 0 "[ ]"
1 53 TYR 0.302 0.104 1 0 "[ ]"
1 54 GLN 0.305 0.144 1 0 "[ ]"
1 55 VAL 0.564 0.144 1 0 "[ ]"
1 56 PRO 0.126 0.101 1 0 "[ ]"
1 57 TYR 0.034 0.034 1 0 "[ ]"
1 58 ARG 0.175 0.082 1 0 "[ ]"
1 59 ILE 0.000 0.000 . 0 "[ ]"
1 60 ASN 0.193 0.086 1 0 "[ ]"
1 61 VAL 0.326 0.138 1 0 "[ ]"
1 62 ASN 0.186 0.152 1 0 "[ ]"
1 63 ASN 0.452 0.264 1 0 "[ ]"
1 64 GLY 0.063 0.047 1 0 "[ ]"
1 65 ARG 0.197 0.080 1 0 "[ ]"
1 66 PRO 0.330 0.139 1 0 "[ ]"
1 67 GLU 0.450 0.260 1 0 "[ ]"
1 68 LEU 0.000 0.000 . 0 "[ ]"
1 69 ALA 0.000 0.000 . 0 "[ ]"
1 70 PHE 0.235 0.060 1 0 "[ ]"
1 71 ASP 0.119 0.101 1 0 "[ ]"
1 72 PHE 0.399 0.066 1 0 "[ ]"
1 73 LYS 0.218 0.218 1 0 "[ ]"
1 74 ALA 0.024 0.024 1 0 "[ ]"
1 75 MET 0.761 0.138 1 0 "[ ]"
1 76 LYS 0.304 0.138 1 0 "[ ]"
1 77 ARG 0.384 0.135 1 0 "[ ]"
1 78 ALA 0.156 0.115 1 0 "[ ]"
2 1 MET 0.151 0.071 1 0 "[ ]"
2 2 ASN 0.152 0.129 1 0 "[ ]"
2 3 ILE 0.549 0.216 1 0 "[ ]"
2 4 GLN 0.002 0.002 1 0 "[ ]"
2 5 ILE 0.306 0.092 1 0 "[ ]"
2 6 THR 0.046 0.046 1 0 "[ ]"
2 7 PHE 0.259 0.095 1 0 "[ ]"
2 8 THR 0.117 0.061 1 0 "[ ]"
2 9 ASP 0.129 0.129 1 0 "[ ]"
2 10 SER 0.455 0.137 1 0 "[ ]"
2 11 VAL 0.398 0.166 1 0 "[ ]"
2 12 ARG 0.147 0.095 1 0 "[ ]"
2 13 GLN 0.359 0.138 1 0 "[ ]"
2 14 GLY 0.000 0.000 . 0 "[ ]"
2 15 THR 0.182 0.102 1 0 "[ ]"
2 16 SER 0.082 0.034 1 0 "[ ]"
2 17 ALA 0.206 0.097 1 0 "[ ]"
2 18 LYS 0.236 0.172 1 0 "[ ]"
2 19 GLY 0.000 0.000 . 0 "[ ]"
2 20 ASN 0.068 0.027 1 0 "[ ]"
2 21 PRO 0.173 0.055 1 0 "[ ]"
2 22 TYR 0.029 0.017 1 0 "[ ]"
2 23 THR 0.601 0.236 1 0 "[ ]"
2 24 PHE 0.510 0.236 1 0 "[ ]"
2 25 GLN 0.508 0.166 1 0 "[ ]"
2 26 GLU 0.310 0.172 1 0 "[ ]"
2 27 GLY 0.337 0.172 1 0 "[ ]"
2 28 PHE 0.476 0.231 1 0 "[ ]"
2 29 LEU 0.564 0.139 1 0 "[ ]"
2 30 HIS 0.187 0.110 1 0 "[ ]"
2 31 LEU 0.192 0.072 1 0 "[ ]"
2 32 GLU 0.581 0.260 1 0 "[ ]"
2 33 ASP 0.311 0.260 1 0 "[ ]"
2 34 LYS 0.507 0.350 1 0 "[ ]"
2 35 PRO 0.019 0.017 1 0 "[ ]"
2 36 HIS 0.307 0.087 1 0 "[ ]"
2 37 PRO 0.345 0.087 1 0 "[ ]"
2 38 LEU 1.813 0.851 1 1 [+]
2 39 GLN 0.535 0.231 1 0 "[ ]"
2 40 CYS 0.134 0.075 1 0 "[ ]"
2 41 GLN 0.419 0.176 1 0 "[ ]"
2 42 PHE 0.449 0.138 1 0 "[ ]"
2 43 PHE 0.187 0.105 1 0 "[ ]"
2 44 VAL 0.194 0.105 1 0 "[ ]"
2 45 GLU 0.060 0.054 1 0 "[ ]"
2 46 SER 0.195 0.195 1 0 "[ ]"
2 47 VAL 0.102 0.076 1 0 "[ ]"
2 48 ILE 0.340 0.081 1 0 "[ ]"
2 49 PRO 0.384 0.152 1 0 "[ ]"
2 50 ALA 0.225 0.129 1 0 "[ ]"
2 51 GLY 0.017 0.017 1 0 "[ ]"
2 52 SER 0.046 0.046 1 0 "[ ]"
2 53 TYR 0.304 0.108 1 0 "[ ]"
2 54 GLN 0.310 0.148 1 0 "[ ]"
2 55 VAL 0.557 0.148 1 0 "[ ]"
2 56 PRO 0.118 0.094 1 0 "[ ]"
2 57 TYR 0.033 0.033 1 0 "[ ]"
2 58 ARG 0.176 0.083 1 0 "[ ]"
2 59 ILE 0.000 0.000 . 0 "[ ]"
2 60 ASN 0.195 0.088 1 0 "[ ]"
2 61 VAL 0.593 0.251 1 0 "[ ]"
2 62 ASN 0.184 0.151 1 0 "[ ]"
2 63 ASN 0.452 0.265 1 0 "[ ]"
2 64 GLY 0.065 0.047 1 0 "[ ]"
2 65 ARG 0.209 0.092 1 0 "[ ]"
2 66 PRO 0.548 0.141 1 0 "[ ]"
2 67 GLU 0.450 0.260 1 0 "[ ]"
2 68 LEU 0.000 0.000 . 0 "[ ]"
2 69 ALA 0.000 0.000 . 0 "[ ]"
2 70 PHE 0.215 0.059 1 0 "[ ]"
2 71 ASP 0.109 0.094 1 0 "[ ]"
2 72 PHE 0.397 0.064 1 0 "[ ]"
2 73 LYS 0.219 0.219 1 0 "[ ]"
2 74 ALA 0.024 0.024 1 0 "[ ]"
2 75 MET 0.740 0.129 1 0 "[ ]"
2 76 LYS 0.305 0.129 1 0 "[ ]"
2 77 ARG 0.389 0.134 1 0 "[ ]"
2 78 ALA 0.152 0.097 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 29 LEU MD1 2 61 VAL QG 2.570 2.180 2.960 3.100 3.100 3.100 0.140 1 0 "[ ]" 1
2 1 61 VAL QG 2 29 LEU MD1 2.570 2.180 2.960 3.098 3.098 3.098 0.138 1 0 "[ ]" 1
3 1 29 LEU MD1 2 66 PRO HA 3.480 2.960 4.250 4.391 4.391 4.391 0.141 1 0 "[ ]" 1
4 1 66 PRO HA 2 29 LEU MD1 3.480 2.960 4.250 4.389 4.389 4.389 0.139 1 0 "[ ]" 1
5 1 29 LEU MD2 2 61 VAL QG 2.580 2.190 2.970 2.374 2.374 2.374 . 0 0 "[ ]" 1
6 1 61 VAL QG 2 29 LEU MD2 2.580 2.190 2.970 2.369 2.369 2.369 . 0 0 "[ ]" 1
7 1 29 LEU QD 2 66 PRO QB 2.280 . 2.620 2.394 2.394 2.394 . 0 0 "[ ]" 1
8 1 66 PRO QB 2 29 LEU QD 2.280 . 2.620 2.391 2.391 2.391 . 0 0 "[ ]" 1
9 1 40 CYS HA 2 61 VAL QG 2.770 2.350 3.220 2.878 2.878 2.878 . 0 0 "[ ]" 1
10 1 61 VAL QG 2 40 CYS HA 2.770 2.350 3.220 2.879 2.879 2.879 . 0 0 "[ ]" 1
11 1 40 CYS HA 2 64 GLY HA2 2.650 2.250 3.060 2.807 2.807 2.807 . 0 0 "[ ]" 1
12 1 64 GLY HA2 2 40 CYS HA 2.650 2.250 3.060 2.805 2.805 2.805 . 0 0 "[ ]" 1
13 1 40 CYS HA 2 64 GLY HA3 3.090 2.630 3.670 3.688 3.688 3.688 0.018 1 0 "[ ]" 1
14 1 64 GLY HA3 2 40 CYS HA 3.090 2.630 3.670 3.686 3.686 3.686 0.016 1 0 "[ ]" 1
15 1 40 CYS HB3 2 61 VAL QG . 2.800 3.090 2.549 2.549 2.549 0.251 1 0 "[ ]" 1
16 1 61 VAL MG2 2 40 CYS HB3 3.300 2.800 3.980 2.991 2.991 2.991 . 0 0 "[ ]" 1
17 1 61 VAL MG1 2 40 CYS HB3 3.250 2.760 3.910 2.764 2.764 2.764 . 0 0 "[ ]" 1
18 1 61 VAL QG 2 40 CYS HB3 2.670 2.270 3.090 2.549 2.549 2.549 . 0 0 "[ ]" 1
19 1 40 CYS HB2 2 61 VAL QG 3.440 2.920 3.630 3.440 3.440 3.440 . 0 0 "[ ]" 1
20 1 61 VAL MG2 2 40 CYS HB2 3.440 2.920 4.190 3.807 3.807 3.807 . 0 0 "[ ]" 1
21 1 61 VAL MG1 2 40 CYS HB2 3.230 2.750 3.880 3.923 3.923 3.923 0.043 1 0 "[ ]" 1
22 1 61 VAL QG 2 40 CYS HB2 3.060 2.600 3.630 3.441 3.441 3.441 . 0 0 "[ ]" 1
23 1 41 GLN H 2 64 GLY HA2 3.820 3.250 4.770 3.915 3.915 3.915 . 0 0 "[ ]" 1
24 1 64 GLY HA2 2 41 GLN H 3.820 3.250 4.770 3.914 3.914 3.914 . 0 0 "[ ]" 1
25 1 41 GLN H 2 64 GLY HA3 4.150 3.530 5.290 3.920 3.920 3.920 . 0 0 "[ ]" 1
26 1 64 GLY HA3 2 41 GLN H 4.150 3.530 5.290 3.917 3.917 3.917 . 0 0 "[ ]" 1
27 1 41 GLN H 2 65 ARG HA 3.590 3.050 4.410 3.430 3.430 3.430 . 0 0 "[ ]" 1
28 1 65 ARG HA 2 41 GLN H 3.590 3.050 4.410 3.430 3.430 3.430 . 0 0 "[ ]" 1
29 1 42 PHE QE 2 66 PRO QG 3.390 2.880 4.080 2.772 2.772 2.772 0.108 1 0 "[ ]" 1
30 1 66 PRO HG3 2 42 PHE QE 3.390 2.880 4.110 2.817 2.817 2.817 0.063 1 0 "[ ]" 1
31 1 66 PRO HG2 2 42 PHE QE 3.370 2.860 4.080 4.116 4.116 4.116 0.036 1 0 "[ ]" 1
32 1 66 PRO QB 2 70 PHE QE 2.920 2.480 3.430 3.207 3.207 3.207 . 0 0 "[ ]" 1
33 1 70 PHE QE 2 66 PRO QB 2.920 2.480 3.430 3.205 3.205 3.205 . 0 0 "[ ]" 1
34 1 66 PRO QB 2 70 PHE HZ 2.480 2.110 2.850 2.797 2.797 2.797 . 0 0 "[ ]" 1
35 1 70 PHE HZ 2 66 PRO QB 2.480 2.110 2.850 2.799 2.799 2.799 . 0 0 "[ ]" 1
36 1 66 PRO HG3 2 70 PHE QE 3.050 2.590 3.620 3.197 3.197 3.197 . 0 0 "[ ]" 1
37 1 70 PHE QE 2 66 PRO QG 3.050 2.590 3.620 2.570 2.570 2.570 0.020 1 0 "[ ]" 1
38 1 66 PRO HG2 2 70 PHE QE 3.050 2.590 3.620 2.704 2.704 2.704 . 0 0 "[ ]" 1
39 1 1 MET HA 1 1 MET HB2 3.080 2.620 3.660 3.022 3.022 3.022 . 0 0 "[ ]" 1
40 2 1 MET HA 2 1 MET HB2 3.080 2.620 3.660 3.021 3.021 3.021 . 0 0 "[ ]" 1
41 1 1 MET HA 1 1 MET HB3 2.720 2.310 3.150 2.420 2.420 2.420 . 0 0 "[ ]" 1
42 2 1 MET HA 2 1 MET HB3 2.720 2.310 3.150 2.420 2.420 2.420 . 0 0 "[ ]" 1
43 1 1 MET HA 1 1 MET HG3 3.040 2.580 3.600 3.351 3.351 3.351 . 0 0 "[ ]" 1
44 2 1 MET HA 2 1 MET HG3 3.040 2.580 3.600 3.352 3.352 3.352 . 0 0 "[ ]" 1
45 1 1 MET HA 1 1 MET HG2 3.040 2.580 3.600 2.510 2.510 2.510 0.070 1 0 "[ ]" 1
46 2 1 MET HA 2 1 MET HG2 3.040 2.580 3.600 2.509 2.509 2.509 0.071 1 0 "[ ]" 1
47 1 1 MET HA 1 2 ASN H 2.290 . 2.630 2.122 2.122 2.122 . 0 0 "[ ]" 1
48 2 1 MET HA 2 2 ASN H 2.290 . 2.630 2.122 2.122 2.122 . 0 0 "[ ]" 1
49 1 1 MET HB2 1 2 ASN H 3.490 2.970 4.260 4.168 4.168 4.168 . 0 0 "[ ]" 1
50 2 1 MET HB2 2 2 ASN H 3.490 2.970 4.260 4.168 4.168 4.168 . 0 0 "[ ]" 1
51 1 1 MET HB3 1 1 MET HG3 3.510 2.980 4.290 3.015 3.015 3.015 . 0 0 "[ ]" 1
52 2 1 MET HB3 2 1 MET HG3 3.510 2.980 4.290 3.016 3.016 3.016 . 0 0 "[ ]" 1
53 1 1 MET HB3 1 1 MET HG2 3.110 2.640 3.700 2.582 2.582 2.582 0.058 1 0 "[ ]" 1
54 2 1 MET HB3 2 1 MET HG2 3.110 2.640 3.700 2.582 2.582 2.582 0.058 1 0 "[ ]" 1
55 1 1 MET HB3 1 2 ASN H 2.850 2.420 3.330 3.352 3.352 3.352 0.022 1 0 "[ ]" 1
56 2 1 MET HB3 2 2 ASN H 2.850 2.420 3.330 3.353 3.353 3.353 0.023 1 0 "[ ]" 1
57 1 2 ASN H 1 2 ASN HA 2.900 2.460 3.400 2.925 2.925 2.925 . 0 0 "[ ]" 1
58 2 2 ASN H 2 2 ASN HA 2.900 2.460 3.400 2.924 2.924 2.924 . 0 0 "[ ]" 1
59 1 2 ASN H 1 2 ASN HD22 3.680 3.130 4.550 3.371 3.371 3.371 . 0 0 "[ ]" 1
60 2 2 ASN H 2 2 ASN HD22 3.680 3.130 4.550 3.372 3.372 3.372 . 0 0 "[ ]" 1
61 1 2 ASN HA 1 2 ASN QB 2.100 . 2.410 2.180 2.180 2.180 . 0 0 "[ ]" 1
62 2 2 ASN HA 2 2 ASN QB 2.100 . 2.410 2.180 2.180 2.180 . 0 0 "[ ]" 1
63 1 2 ASN HA 1 3 ILE H 2.350 . 2.700 2.428 2.428 2.428 . 0 0 "[ ]" 1
64 2 2 ASN HA 2 3 ILE H 2.350 . 2.700 2.429 2.429 2.429 . 0 0 "[ ]" 1
65 1 2 ASN HA 1 56 PRO HA 2.110 . 2.430 2.310 2.310 2.310 . 0 0 "[ ]" 1
66 2 2 ASN HA 2 56 PRO HA 2.110 . 2.430 2.314 2.314 2.314 . 0 0 "[ ]" 1
67 1 2 ASN HB2 1 3 ILE H 2.660 2.260 3.070 2.544 2.544 2.544 . 0 0 "[ ]" 1
68 2 2 ASN HB2 2 3 ILE H 2.660 2.260 3.070 2.545 2.545 2.545 . 0 0 "[ ]" 1
69 1 2 ASN QB 1 2 ASN HD22 2.780 2.360 3.240 3.369 3.369 3.369 0.129 1 0 "[ ]" 1
70 2 2 ASN QB 2 2 ASN HD22 2.780 2.360 3.240 3.369 3.369 3.369 0.129 1 0 "[ ]" 1
71 1 2 ASN QB 1 56 PRO HA 2.520 2.140 2.900 2.406 2.406 2.406 . 0 0 "[ ]" 1
72 2 2 ASN QB 2 56 PRO HA 2.520 2.140 2.900 2.407 2.407 2.407 . 0 0 "[ ]" 1
73 1 3 ILE H 1 3 ILE HB 3.120 2.650 3.720 3.299 3.299 3.299 . 0 0 "[ ]" 1
74 2 3 ILE H 2 3 ILE HB 3.120 2.650 3.720 3.299 3.299 3.299 . 0 0 "[ ]" 1
75 1 3 ILE H 1 3 ILE MG 2.880 2.450 3.380 2.486 2.486 2.486 . 0 0 "[ ]" 1
76 2 3 ILE H 2 3 ILE MG 2.880 2.450 3.380 2.485 2.485 2.485 . 0 0 "[ ]" 1
77 1 3 ILE H 1 55 VAL H 2.860 2.430 3.350 3.197 3.197 3.197 . 0 0 "[ ]" 1
78 2 3 ILE H 2 55 VAL H 2.860 2.430 3.350 3.204 3.204 3.204 . 0 0 "[ ]" 1
79 1 3 ILE H 1 55 VAL HB 3.090 2.630 3.670 3.565 3.565 3.565 . 0 0 "[ ]" 1
80 2 3 ILE H 2 55 VAL HB 3.090 2.630 3.670 3.562 3.562 3.562 . 0 0 "[ ]" 1
81 1 3 ILE H 1 56 PRO HA 3.480 2.960 4.250 4.067 4.067 4.067 . 0 0 "[ ]" 1
82 2 3 ILE H 2 56 PRO HA 3.480 2.960 4.250 4.070 4.070 4.070 . 0 0 "[ ]" 1
83 1 3 ILE HA 1 3 ILE HB 2.340 . 2.690 2.469 2.469 2.469 . 0 0 "[ ]" 1
84 2 3 ILE HA 2 3 ILE HB 2.340 . 2.690 2.469 2.469 2.469 . 0 0 "[ ]" 1
85 1 3 ILE HA 1 3 ILE MG 3.070 2.610 3.640 3.196 3.196 3.196 . 0 0 "[ ]" 1
86 2 3 ILE HA 2 3 ILE MG 3.070 2.610 3.640 3.196 3.196 3.196 . 0 0 "[ ]" 1
87 1 3 ILE HA 1 3 ILE HG13 3.070 2.610 3.650 2.394 2.394 2.394 0.216 1 0 "[ ]" 1
88 2 3 ILE HA 2 3 ILE HG13 3.070 2.610 3.650 2.394 2.394 2.394 0.216 1 0 "[ ]" 1
89 1 3 ILE HA 1 3 ILE HG12 2.470 2.100 2.840 3.049 3.049 3.049 0.209 1 0 "[ ]" 1
90 2 3 ILE HA 2 3 ILE HG12 2.470 2.100 2.840 3.049 3.049 3.049 0.209 1 0 "[ ]" 1
91 1 3 ILE HA 1 3 ILE MD 3.140 2.670 3.750 3.742 3.742 3.742 . 0 0 "[ ]" 1
92 2 3 ILE HA 2 3 ILE MD 3.140 2.670 3.750 3.742 3.742 3.742 . 0 0 "[ ]" 1
93 1 3 ILE HA 1 4 GLN H 2.240 . 2.580 2.234 2.234 2.234 . 0 0 "[ ]" 1
94 2 3 ILE HA 2 4 GLN H 2.240 . 2.580 2.234 2.234 2.234 . 0 0 "[ ]" 1
95 1 3 ILE HB 1 3 ILE MG 2.400 2.040 2.760 2.096 2.096 2.096 . 0 0 "[ ]" 1
96 2 3 ILE HB 2 3 ILE MG 2.400 2.040 2.760 2.096 2.096 2.096 . 0 0 "[ ]" 1
97 1 3 ILE HB 1 3 ILE HG13 2.660 2.260 3.070 2.474 2.474 2.474 . 0 0 "[ ]" 1
98 2 3 ILE HB 2 3 ILE HG13 2.660 2.260 3.070 2.474 2.474 2.474 . 0 0 "[ ]" 1
99 1 3 ILE HB 1 3 ILE MD 2.810 2.390 3.280 2.400 2.400 2.400 . 0 0 "[ ]" 1
100 2 3 ILE HB 2 3 ILE MD 2.810 2.390 3.280 2.400 2.400 2.400 . 0 0 "[ ]" 1
101 1 3 ILE HG13 1 3 ILE MG 2.850 2.420 3.330 3.190 3.190 3.190 . 0 0 "[ ]" 1
102 2 3 ILE HG13 2 3 ILE MG 2.850 2.420 3.330 3.190 3.190 3.190 . 0 0 "[ ]" 1
103 1 3 ILE HG12 1 3 ILE MG 2.870 2.440 3.360 2.388 2.388 2.388 0.052 1 0 "[ ]" 1
104 2 3 ILE HG12 2 3 ILE MG 2.870 2.440 3.360 2.388 2.388 2.388 0.052 1 0 "[ ]" 1
105 1 3 ILE MG 1 4 GLN H 3.430 2.920 4.170 3.712 3.712 3.712 . 0 0 "[ ]" 1
106 2 3 ILE MG 2 4 GLN H 3.430 2.920 4.170 3.712 3.712 3.712 . 0 0 "[ ]" 1
107 1 3 ILE MG 1 5 ILE HG13 2.650 2.250 3.060 2.409 2.409 2.409 . 0 0 "[ ]" 1
108 2 3 ILE MG 2 5 ILE HG13 2.650 2.250 3.060 2.411 2.411 2.411 . 0 0 "[ ]" 1
109 1 3 ILE MG 1 5 ILE MD 2.580 2.190 2.970 2.427 2.427 2.427 . 0 0 "[ ]" 1
110 2 3 ILE MG 2 5 ILE MD 2.580 2.190 2.970 2.426 2.426 2.426 . 0 0 "[ ]" 1
111 1 3 ILE MG 1 55 VAL HB 2.680 2.280 3.100 2.931 2.931 2.931 . 0 0 "[ ]" 1
112 2 3 ILE MG 2 55 VAL HB 2.680 2.280 3.100 2.929 2.929 2.929 . 0 0 "[ ]" 1
113 1 3 ILE MD 1 3 ILE HG13 2.570 2.190 2.950 2.118 2.118 2.118 0.072 1 0 "[ ]" 1
114 2 3 ILE MD 2 3 ILE HG13 2.570 2.190 2.950 2.118 2.118 2.118 0.072 1 0 "[ ]" 1
115 1 3 ILE HG13 1 4 GLN H 2.900 2.460 3.400 2.625 2.625 2.625 . 0 0 "[ ]" 1
116 2 3 ILE HG13 2 4 GLN H 2.900 2.460 3.400 2.625 2.625 2.625 . 0 0 "[ ]" 1
117 1 3 ILE MD 1 3 ILE HG12 2.470 2.100 2.840 2.126 2.126 2.126 . 0 0 "[ ]" 1
118 2 3 ILE MD 2 3 ILE HG12 2.470 2.100 2.840 2.125 2.125 2.125 . 0 0 "[ ]" 1
119 1 3 ILE HG12 1 4 GLN H 2.680 2.280 3.100 2.492 2.492 2.492 . 0 0 "[ ]" 1
120 2 3 ILE HG12 2 4 GLN H 2.680 2.280 3.100 2.492 2.492 2.492 . 0 0 "[ ]" 1
121 1 3 ILE MD 1 4 GLN H 4.020 3.420 5.080 3.987 3.987 3.987 . 0 0 "[ ]" 1
122 2 3 ILE MD 2 4 GLN H 4.020 3.420 5.080 3.987 3.987 3.987 . 0 0 "[ ]" 1
123 1 3 ILE MD 1 5 ILE MD 3.400 2.890 4.130 3.867 3.867 3.867 . 0 0 "[ ]" 1
124 2 3 ILE MD 2 5 ILE MD 3.400 2.890 4.130 3.867 3.867 3.867 . 0 0 "[ ]" 1
125 1 3 ILE MD 1 31 LEU HA 2.850 2.420 3.330 3.222 3.222 3.222 . 0 0 "[ ]" 1
126 2 3 ILE MD 2 31 LEU HA 2.850 2.420 3.330 3.223 3.223 3.223 . 0 0 "[ ]" 1
127 1 4 GLN H 1 4 GLN HA 2.960 2.520 3.490 2.879 2.879 2.879 . 0 0 "[ ]" 1
128 2 4 GLN H 2 4 GLN HA 2.960 2.520 3.490 2.878 2.878 2.878 . 0 0 "[ ]" 1
129 1 4 GLN H 1 30 HIS HB2 3.950 3.360 4.970 3.397 3.397 3.397 . 0 0 "[ ]" 1
130 2 4 GLN H 2 30 HIS HB2 3.950 3.360 4.970 3.397 3.397 3.397 . 0 0 "[ ]" 1
131 1 4 GLN HA 1 4 GLN HB2 2.460 2.090 2.830 2.513 2.513 2.513 . 0 0 "[ ]" 1
132 2 4 GLN HA 2 4 GLN HB2 2.460 2.090 2.830 2.513 2.513 2.513 . 0 0 "[ ]" 1
133 1 4 GLN HA 1 4 GLN HG2 2.750 2.340 3.200 3.114 3.114 3.114 . 0 0 "[ ]" 1
134 2 4 GLN HA 2 4 GLN HG2 2.750 2.340 3.200 3.115 3.115 3.115 . 0 0 "[ ]" 1
135 1 4 GLN HA 1 4 GLN HG3 2.530 2.150 2.910 2.350 2.350 2.350 . 0 0 "[ ]" 1
136 2 4 GLN HA 2 4 GLN HG3 2.530 2.150 2.910 2.350 2.350 2.350 . 0 0 "[ ]" 1
137 1 4 GLN HA 1 5 ILE H 2.140 . 2.460 2.138 2.138 2.138 . 0 0 "[ ]" 1
138 2 4 GLN HA 2 5 ILE H 2.140 . 2.460 2.139 2.139 2.139 . 0 0 "[ ]" 1
139 1 4 GLN HA 1 54 GLN HA 2.290 . 2.630 2.478 2.478 2.478 . 0 0 "[ ]" 1
140 2 4 GLN HA 2 54 GLN HA 2.290 . 2.630 2.485 2.485 2.485 . 0 0 "[ ]" 1
141 1 4 GLN HA 1 55 VAL H 3.190 2.710 3.820 3.527 3.527 3.527 . 0 0 "[ ]" 1
142 2 4 GLN HA 2 55 VAL H 3.190 2.710 3.820 3.526 3.526 3.526 . 0 0 "[ ]" 1
143 1 4 GLN HA 1 55 VAL MG2 3.620 3.080 4.460 4.359 4.359 4.359 . 0 0 "[ ]" 1
144 2 4 GLN HA 2 55 VAL MG2 3.620 3.080 4.460 4.362 4.362 4.362 . 0 0 "[ ]" 1
145 1 4 GLN HB3 1 30 HIS H 3.490 2.970 4.260 4.057 4.057 4.057 . 0 0 "[ ]" 1
146 2 4 GLN HB3 2 30 HIS H 3.490 2.970 4.260 4.057 4.057 4.057 . 0 0 "[ ]" 1
147 1 4 GLN HB3 1 30 HIS HB3 2.760 2.350 3.210 3.212 3.212 3.212 0.002 1 0 "[ ]" 1
148 2 4 GLN HB3 2 30 HIS HB3 2.760 2.350 3.210 3.212 3.212 3.212 0.002 1 0 "[ ]" 1
149 1 4 GLN HB3 1 30 HIS HB2 2.270 . 2.610 2.071 2.071 2.071 . 0 0 "[ ]" 1
150 2 4 GLN HB3 2 30 HIS HB2 2.270 . 2.610 2.070 2.070 2.070 . 0 0 "[ ]" 1
151 1 4 GLN HB3 1 30 HIS HD2 3.100 2.640 3.690 3.497 3.497 3.497 . 0 0 "[ ]" 1
152 2 4 GLN HB3 2 30 HIS HD2 3.100 2.640 3.690 3.496 3.496 3.496 . 0 0 "[ ]" 1
153 1 4 GLN HG2 1 5 ILE H 3.200 2.720 3.830 3.216 3.216 3.216 . 0 0 "[ ]" 1
154 2 4 GLN HG2 2 5 ILE H 3.200 2.720 3.830 3.217 3.217 3.217 . 0 0 "[ ]" 1
155 1 4 GLN HG2 1 30 HIS HD2 2.830 2.410 3.310 3.051 3.051 3.051 . 0 0 "[ ]" 1
156 2 4 GLN HG2 2 30 HIS HD2 2.830 2.410 3.310 3.051 3.051 3.051 . 0 0 "[ ]" 1
157 1 4 GLN HG2 1 78 ALA MB 3.680 3.130 4.550 4.062 4.062 4.062 . 0 0 "[ ]" 1
158 2 4 GLN HG2 2 78 ALA MB 3.680 3.130 4.550 4.055 4.055 4.055 . 0 0 "[ ]" 1
159 1 4 GLN HE22 1 4 GLN HG3 3.470 2.950 4.230 4.109 4.109 4.109 . 0 0 "[ ]" 1
160 2 4 GLN HE22 2 4 GLN HG3 3.470 2.950 4.230 4.108 4.108 4.108 . 0 0 "[ ]" 1
161 1 4 GLN HG3 1 5 ILE H 3.340 2.840 4.040 3.065 3.065 3.065 . 0 0 "[ ]" 1
162 2 4 GLN HG3 2 5 ILE H 3.340 2.840 4.040 3.064 3.064 3.064 . 0 0 "[ ]" 1
163 1 4 GLN HG3 1 52 SER QB 2.720 2.310 3.150 3.063 3.063 3.063 . 0 0 "[ ]" 1
164 2 4 GLN HG3 2 52 SER QB 2.720 2.310 3.150 3.063 3.063 3.063 . 0 0 "[ ]" 1
165 1 4 GLN HE21 1 78 ALA MB 4.310 3.660 5.550 5.076 5.076 5.076 . 0 0 "[ ]" 1
166 2 4 GLN HE21 2 78 ALA MB 4.310 3.660 5.550 5.065 5.065 5.065 . 0 0 "[ ]" 1
167 1 4 GLN HE22 1 78 ALA MB 3.930 3.340 4.940 4.692 4.692 4.692 . 0 0 "[ ]" 1
168 2 4 GLN HE22 2 78 ALA MB 3.930 3.340 4.940 4.678 4.678 4.678 . 0 0 "[ ]" 1
169 1 5 ILE H 1 5 ILE HA 3.080 2.620 3.660 2.957 2.957 2.957 . 0 0 "[ ]" 1
170 2 5 ILE H 2 5 ILE HA 3.080 2.620 3.660 2.957 2.957 2.957 . 0 0 "[ ]" 1
171 1 5 ILE H 1 5 ILE HB 2.760 2.350 3.210 2.626 2.626 2.626 . 0 0 "[ ]" 1
172 2 5 ILE H 2 5 ILE HB 2.760 2.350 3.210 2.627 2.627 2.627 . 0 0 "[ ]" 1
173 1 5 ILE H 1 5 ILE HG13 3.190 2.710 3.820 3.012 3.012 3.012 . 0 0 "[ ]" 1
174 2 5 ILE H 2 5 ILE HG13 3.190 2.710 3.820 3.013 3.013 3.013 . 0 0 "[ ]" 1
175 1 5 ILE H 1 53 TYR H 3.120 2.650 3.720 2.680 2.680 2.680 . 0 0 "[ ]" 1
176 2 5 ILE H 2 53 TYR H 3.120 2.650 3.720 2.676 2.676 2.676 . 0 0 "[ ]" 1
177 1 5 ILE H 1 54 GLN HA 3.350 2.850 4.050 3.669 3.669 3.669 . 0 0 "[ ]" 1
178 2 5 ILE H 2 54 GLN HA 3.350 2.850 4.050 3.677 3.677 3.677 . 0 0 "[ ]" 1
179 1 5 ILE HA 1 5 ILE HB 2.980 2.530 3.520 3.018 3.018 3.018 . 0 0 "[ ]" 1
180 2 5 ILE HA 2 5 ILE HB 2.980 2.530 3.520 3.019 3.019 3.019 . 0 0 "[ ]" 1
181 1 5 ILE HA 1 5 ILE MG 2.420 2.060 2.780 2.493 2.493 2.493 . 0 0 "[ ]" 1
182 2 5 ILE HA 2 5 ILE MG 2.420 2.060 2.780 2.492 2.492 2.492 . 0 0 "[ ]" 1
183 1 5 ILE HA 1 5 ILE HG12 2.530 2.150 2.910 2.450 2.450 2.450 . 0 0 "[ ]" 1
184 2 5 ILE HA 2 5 ILE HG12 2.530 2.150 2.910 2.451 2.451 2.451 . 0 0 "[ ]" 1
185 1 5 ILE HA 1 5 ILE HG13 2.640 2.240 3.040 2.968 2.968 2.968 . 0 0 "[ ]" 1
186 2 5 ILE HA 2 5 ILE HG13 2.640 2.240 3.040 2.966 2.966 2.966 . 0 0 "[ ]" 1
187 1 5 ILE HA 1 6 THR H 2.180 . 2.510 2.145 2.145 2.145 . 0 0 "[ ]" 1
188 2 5 ILE HA 2 6 THR H 2.180 . 2.510 2.145 2.145 2.145 . 0 0 "[ ]" 1
189 1 5 ILE HA 1 29 LEU HA 2.400 2.040 2.760 2.785 2.785 2.785 0.025 1 0 "[ ]" 1
190 2 5 ILE HA 2 29 LEU HA 2.400 2.040 2.760 2.785 2.785 2.785 0.025 1 0 "[ ]" 1
191 1 5 ILE HA 1 29 LEU MD1 3.770 3.200 4.690 3.853 3.853 3.853 . 0 0 "[ ]" 1
192 2 5 ILE HA 2 29 LEU MD1 3.770 3.200 4.690 3.853 3.853 3.853 . 0 0 "[ ]" 1
193 1 5 ILE HA 1 29 LEU QD 3.100 2.640 3.690 3.782 3.782 3.782 0.092 1 0 "[ ]" 1
194 2 5 ILE HA 2 29 LEU QD 3.100 2.640 3.690 3.782 3.782 3.782 0.092 1 0 "[ ]" 1
195 1 5 ILE HA 1 30 HIS H 3.380 2.870 4.100 3.610 3.610 3.610 . 0 0 "[ ]" 1
196 2 5 ILE HA 2 30 HIS H 3.380 2.870 4.100 3.610 3.610 3.610 . 0 0 "[ ]" 1
197 1 5 ILE HA 1 30 HIS HD2 2.590 2.200 2.980 2.847 2.847 2.847 . 0 0 "[ ]" 1
198 2 5 ILE HA 2 30 HIS HD2 2.590 2.200 2.980 2.846 2.846 2.846 . 0 0 "[ ]" 1
199 1 5 ILE HB 1 5 ILE MG 2.260 . 2.600 2.133 2.133 2.133 . 0 0 "[ ]" 1
200 2 5 ILE HB 2 5 ILE MG 2.260 . 2.600 2.133 2.133 2.133 . 0 0 "[ ]" 1
201 1 5 ILE HB 1 5 ILE HG12 2.660 2.260 3.070 3.021 3.021 3.021 . 0 0 "[ ]" 1
202 2 5 ILE HB 2 5 ILE HG12 2.660 2.260 3.070 3.022 3.022 3.022 . 0 0 "[ ]" 1
203 1 5 ILE HB 1 5 ILE HG13 2.360 2.010 2.710 2.446 2.446 2.446 . 0 0 "[ ]" 1
204 2 5 ILE HB 2 5 ILE HG13 2.360 2.010 2.710 2.447 2.447 2.447 . 0 0 "[ ]" 1
205 1 5 ILE HB 1 5 ILE MD 2.410 2.050 2.770 2.412 2.412 2.412 . 0 0 "[ ]" 1
206 2 5 ILE HB 2 5 ILE MD 2.410 2.050 2.770 2.411 2.411 2.411 . 0 0 "[ ]" 1
207 1 5 ILE HG12 1 5 ILE MG 2.570 2.190 2.950 2.357 2.357 2.357 . 0 0 "[ ]" 1
208 2 5 ILE HG12 2 5 ILE MG 2.570 2.190 2.950 2.356 2.356 2.356 . 0 0 "[ ]" 1
209 1 5 ILE HG13 1 5 ILE MG 2.760 2.350 3.210 3.204 3.204 3.204 . 0 0 "[ ]" 1
210 2 5 ILE HG13 2 5 ILE MG 2.760 2.350 3.210 3.204 3.204 3.204 . 0 0 "[ ]" 1
211 1 5 ILE MD 1 5 ILE MG 2.350 . 2.700 1.947 1.947 1.947 0.053 1 0 "[ ]" 1
212 2 5 ILE MD 2 5 ILE MG 2.350 . 2.700 1.948 1.948 1.948 0.052 1 0 "[ ]" 1
213 1 5 ILE MG 1 6 THR H 2.790 2.370 3.250 2.964 2.964 2.964 . 0 0 "[ ]" 1
214 2 5 ILE MG 2 6 THR H 2.790 2.370 3.250 2.963 2.963 2.963 . 0 0 "[ ]" 1
215 1 5 ILE MG 1 7 PHE QD 3.150 2.680 3.760 3.273 3.273 3.273 . 0 0 "[ ]" 1
216 2 5 ILE MG 2 7 PHE QD 3.150 2.680 3.760 3.273 3.273 3.273 . 0 0 "[ ]" 1
217 1 5 ILE MG 1 7 PHE QE 3.120 2.650 3.720 2.761 2.761 2.761 . 0 0 "[ ]" 1
218 2 5 ILE MG 2 7 PHE QE 3.120 2.650 3.720 2.761 2.761 2.761 . 0 0 "[ ]" 1
219 1 5 ILE MG 1 7 PHE HZ 3.150 2.680 3.760 2.789 2.789 2.789 . 0 0 "[ ]" 1
220 2 5 ILE MG 2 7 PHE HZ 3.150 2.680 3.760 2.791 2.791 2.791 . 0 0 "[ ]" 1
221 1 5 ILE MG 1 27 GLY HA3 2.680 2.280 3.100 3.110 3.110 3.110 0.010 1 0 "[ ]" 1
222 2 5 ILE MG 2 27 GLY HA3 2.680 2.280 3.100 3.110 3.110 3.110 0.010 1 0 "[ ]" 1
223 1 5 ILE MG 1 28 PHE H 3.130 2.660 3.730 3.512 3.512 3.512 . 0 0 "[ ]" 1
224 2 5 ILE MG 2 28 PHE H 3.130 2.660 3.730 3.512 3.512 3.512 . 0 0 "[ ]" 1
225 1 5 ILE MG 1 29 LEU HA 3.010 2.560 3.560 3.430 3.430 3.430 . 0 0 "[ ]" 1
226 2 5 ILE MG 2 29 LEU HA 3.010 2.560 3.560 3.430 3.430 3.430 . 0 0 "[ ]" 1
227 1 5 ILE MG 1 29 LEU MD1 3.130 2.660 3.730 2.678 2.678 2.678 . 0 0 "[ ]" 1
228 2 5 ILE MG 2 29 LEU MD1 3.130 2.660 3.730 2.678 2.678 2.678 . 0 0 "[ ]" 1
229 1 5 ILE MG 1 29 LEU MD2 3.980 3.380 5.020 4.940 4.940 4.940 . 0 0 "[ ]" 1
230 2 5 ILE MG 2 29 LEU MD2 3.980 3.380 5.020 4.940 4.940 4.940 . 0 0 "[ ]" 1
231 1 5 ILE MG 1 42 PHE QE 2.760 2.350 3.210 3.010 3.010 3.010 . 0 0 "[ ]" 1
232 2 5 ILE MG 2 42 PHE QE 2.760 2.350 3.210 3.011 3.011 3.011 . 0 0 "[ ]" 1
233 1 5 ILE MG 1 42 PHE HZ 3.220 2.740 3.860 2.708 2.708 2.708 0.032 1 0 "[ ]" 1
234 2 5 ILE MG 2 42 PHE HZ 3.220 2.740 3.860 2.708 2.708 2.708 0.032 1 0 "[ ]" 1
235 1 5 ILE MD 1 5 ILE HG12 2.350 . 2.700 2.139 2.139 2.139 . 0 0 "[ ]" 1
236 2 5 ILE MD 2 5 ILE HG12 2.350 . 2.700 2.140 2.140 2.140 . 0 0 "[ ]" 1
237 1 5 ILE HG12 1 29 LEU HA 2.640 2.240 3.040 2.851 2.851 2.851 . 0 0 "[ ]" 1
238 2 5 ILE HG12 2 29 LEU HA 2.640 2.240 3.040 2.850 2.850 2.850 . 0 0 "[ ]" 1
239 1 5 ILE MD 1 5 ILE HG13 2.260 . 2.600 2.137 2.137 2.137 . 0 0 "[ ]" 1
240 2 5 ILE MD 2 5 ILE HG13 2.260 . 2.600 2.138 2.138 2.138 . 0 0 "[ ]" 1
241 1 5 ILE MD 1 7 PHE QE 3.190 2.710 3.820 3.719 3.719 3.719 . 0 0 "[ ]" 1
242 2 5 ILE MD 2 7 PHE QE 3.190 2.710 3.820 3.718 3.718 3.718 . 0 0 "[ ]" 1
243 1 5 ILE MD 1 7 PHE HZ 2.950 2.510 3.480 3.341 3.341 3.341 . 0 0 "[ ]" 1
244 2 5 ILE MD 2 7 PHE HZ 2.950 2.510 3.480 3.342 3.342 3.342 . 0 0 "[ ]" 1
245 1 5 ILE MD 1 29 LEU MD1 3.000 2.550 3.550 2.517 2.517 2.517 0.033 1 0 "[ ]" 1
246 2 5 ILE MD 2 29 LEU MD1 3.000 2.550 3.550 2.517 2.517 2.517 0.033 1 0 "[ ]" 1
247 1 5 ILE MD 1 29 LEU MD2 3.330 2.830 4.020 4.043 4.043 4.043 0.023 1 0 "[ ]" 1
248 2 5 ILE MD 2 29 LEU MD2 3.330 2.830 4.020 4.043 4.043 4.043 0.023 1 0 "[ ]" 1
249 1 5 ILE MD 1 29 LEU QD 2.350 . 2.700 2.493 2.493 2.493 . 0 0 "[ ]" 1
250 2 5 ILE MD 2 29 LEU QD 2.350 . 2.700 2.494 2.494 2.494 . 0 0 "[ ]" 1
251 1 5 ILE MD 1 42 PHE QE 3.040 2.580 3.600 2.661 2.661 2.661 . 0 0 "[ ]" 1
252 2 5 ILE MD 2 42 PHE QE 3.040 2.580 3.600 2.659 2.659 2.659 . 0 0 "[ ]" 1
253 1 5 ILE MD 1 42 PHE HZ 2.970 2.520 3.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
254 2 5 ILE MD 2 42 PHE HZ 2.970 2.520 3.500 2.718 2.718 2.718 . 0 0 "[ ]" 1
255 1 5 ILE MD 1 70 PHE QD 3.120 2.650 3.720 3.065 3.065 3.065 . 0 0 "[ ]" 1
256 2 5 ILE MD 2 70 PHE QD 3.120 2.650 3.720 3.064 3.064 3.064 . 0 0 "[ ]" 1
257 1 5 ILE MD 1 70 PHE QE 3.280 2.790 3.950 2.751 2.751 2.751 0.039 1 0 "[ ]" 1
258 2 5 ILE MD 2 70 PHE QE 3.280 2.790 3.950 2.750 2.750 2.750 0.040 1 0 "[ ]" 1
259 1 5 ILE MD 1 72 PHE QE 3.370 2.860 4.080 3.314 3.314 3.314 . 0 0 "[ ]" 1
260 2 5 ILE MD 2 72 PHE QE 3.370 2.860 4.080 3.311 3.311 3.311 . 0 0 "[ ]" 1
261 1 6 THR H 1 6 THR HA 3.180 2.700 3.800 2.932 2.932 2.932 . 0 0 "[ ]" 1
262 2 6 THR H 2 6 THR HA 3.180 2.700 3.800 2.932 2.932 2.932 . 0 0 "[ ]" 1
263 1 6 THR H 1 6 THR HB 2.610 2.220 3.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
264 2 6 THR H 2 6 THR HB 2.610 2.220 3.000 2.520 2.520 2.520 . 0 0 "[ ]" 1
265 1 6 THR H 1 6 THR MG 3.310 2.810 3.990 3.791 3.791 3.791 . 0 0 "[ ]" 1
266 2 6 THR H 2 6 THR MG 3.310 2.810 3.990 3.791 3.791 3.791 . 0 0 "[ ]" 1
267 1 6 THR H 1 28 PHE H 3.130 2.660 3.730 3.268 3.268 3.268 . 0 0 "[ ]" 1
268 2 6 THR H 2 28 PHE H 3.130 2.660 3.730 3.267 3.267 3.267 . 0 0 "[ ]" 1
269 1 6 THR H 1 28 PHE HB2 3.300 2.800 3.980 3.304 3.304 3.304 . 0 0 "[ ]" 1
270 2 6 THR H 2 28 PHE HB2 3.300 2.800 3.980 3.304 3.304 3.304 . 0 0 "[ ]" 1
271 1 6 THR H 1 30 HIS HD2 3.120 2.650 3.720 2.764 2.764 2.764 . 0 0 "[ ]" 1
272 2 6 THR H 2 30 HIS HD2 3.120 2.650 3.720 2.764 2.764 2.764 . 0 0 "[ ]" 1
273 1 6 THR HA 1 6 THR HB 2.840 2.410 3.320 3.018 3.018 3.018 . 0 0 "[ ]" 1
274 2 6 THR HA 2 6 THR HB 2.840 2.410 3.320 3.017 3.017 3.017 . 0 0 "[ ]" 1
275 1 6 THR HA 1 6 THR MG 2.450 2.080 2.820 2.327 2.327 2.327 . 0 0 "[ ]" 1
276 2 6 THR HA 2 6 THR MG 2.450 2.080 2.820 2.327 2.327 2.327 . 0 0 "[ ]" 1
277 1 6 THR HA 1 7 PHE H 2.290 . 2.630 2.181 2.181 2.181 . 0 0 "[ ]" 1
278 2 6 THR HA 2 7 PHE H 2.290 . 2.630 2.180 2.180 2.180 . 0 0 "[ ]" 1
279 1 6 THR HA 1 52 SER HA 1.940 . 2.230 1.907 1.907 1.907 . 0 0 "[ ]" 1
280 2 6 THR HA 2 52 SER HA 1.940 . 2.230 1.906 1.906 1.906 . 0 0 "[ ]" 1
281 1 6 THR HA 1 52 SER QB 2.650 2.250 3.060 3.105 3.105 3.105 0.045 1 0 "[ ]" 1
282 2 6 THR HA 2 52 SER QB 2.650 2.250 3.060 3.106 3.106 3.106 0.046 1 0 "[ ]" 1
283 1 6 THR HA 1 53 TYR H 2.940 2.500 3.460 3.361 3.361 3.361 . 0 0 "[ ]" 1
284 2 6 THR HA 2 53 TYR H 2.940 2.500 3.460 3.362 3.362 3.362 . 0 0 "[ ]" 1
285 1 6 THR HB 1 6 THR MG 2.160 . 2.480 2.133 2.133 2.133 . 0 0 "[ ]" 1
286 2 6 THR HB 2 6 THR MG 2.160 . 2.480 2.133 2.133 2.133 . 0 0 "[ ]" 1
287 1 6 THR HB 1 28 PHE H 3.200 2.720 3.830 3.071 3.071 3.071 . 0 0 "[ ]" 1
288 2 6 THR HB 2 28 PHE H 3.200 2.720 3.830 3.070 3.070 3.070 . 0 0 "[ ]" 1
289 1 6 THR HB 1 28 PHE HB3 2.740 2.330 3.180 3.148 3.148 3.148 . 0 0 "[ ]" 1
290 2 6 THR HB 2 28 PHE HB3 2.740 2.330 3.180 3.148 3.148 3.148 . 0 0 "[ ]" 1
291 1 6 THR HB 1 28 PHE HB2 2.220 . 2.550 1.924 1.924 1.924 . 0 0 "[ ]" 1
292 2 6 THR HB 2 28 PHE HB2 2.220 . 2.550 1.925 1.925 1.925 . 0 0 "[ ]" 1
293 1 6 THR HB 1 28 PHE QD 3.070 2.610 3.640 3.503 3.503 3.503 . 0 0 "[ ]" 1
294 2 6 THR HB 2 28 PHE QD 3.070 2.610 3.640 3.503 3.503 3.503 . 0 0 "[ ]" 1
295 1 6 THR MG 1 7 PHE H 3.020 2.570 3.570 3.250 3.250 3.250 . 0 0 "[ ]" 1
296 2 6 THR MG 2 7 PHE H 3.020 2.570 3.570 3.249 3.249 3.249 . 0 0 "[ ]" 1
297 1 6 THR MG 1 28 PHE HB2 3.330 2.830 4.020 3.256 3.256 3.256 . 0 0 "[ ]" 1
298 2 6 THR MG 2 28 PHE HB2 3.330 2.830 4.020 3.256 3.256 3.256 . 0 0 "[ ]" 1
299 1 6 THR MG 1 28 PHE QD 3.170 2.690 3.790 3.430 3.430 3.430 . 0 0 "[ ]" 1
300 2 6 THR MG 2 28 PHE QD 3.170 2.690 3.790 3.431 3.431 3.431 . 0 0 "[ ]" 1
301 1 6 THR MG 1 51 GLY H 3.850 3.270 4.810 3.734 3.734 3.734 . 0 0 "[ ]" 1
302 2 6 THR MG 2 51 GLY H 3.850 3.270 4.810 3.734 3.734 3.734 . 0 0 "[ ]" 1
303 1 6 THR MG 1 52 SER HA 3.060 2.600 3.630 3.180 3.180 3.180 . 0 0 "[ ]" 1
304 2 6 THR MG 2 52 SER HA 3.060 2.600 3.630 3.179 3.179 3.179 . 0 0 "[ ]" 1
305 1 6 THR MG 1 52 SER QB 3.480 2.960 4.250 2.989 2.989 2.989 . 0 0 "[ ]" 1
306 2 6 THR MG 2 52 SER QB 3.480 2.960 4.250 2.990 2.990 2.990 . 0 0 "[ ]" 1
307 1 7 PHE H 1 7 PHE HA 3.010 2.560 3.560 2.882 2.882 2.882 . 0 0 "[ ]" 1
308 2 7 PHE H 2 7 PHE HA 3.010 2.560 3.560 2.882 2.882 2.882 . 0 0 "[ ]" 1
309 1 7 PHE H 1 7 PHE HB2 2.520 2.140 2.900 2.308 2.308 2.308 . 0 0 "[ ]" 1
310 2 7 PHE H 2 7 PHE HB2 2.520 2.140 2.900 2.309 2.309 2.309 . 0 0 "[ ]" 1
311 1 7 PHE H 1 7 PHE HB3 3.200 2.720 3.830 3.561 3.561 3.561 . 0 0 "[ ]" 1
312 2 7 PHE H 2 7 PHE HB3 3.200 2.720 3.830 3.561 3.561 3.561 . 0 0 "[ ]" 1
313 1 7 PHE H 1 7 PHE QD 2.830 2.410 3.310 3.108 3.108 3.108 . 0 0 "[ ]" 1
314 2 7 PHE H 2 7 PHE QD 2.830 2.410 3.310 3.109 3.109 3.109 . 0 0 "[ ]" 1
315 1 7 PHE H 1 50 ALA HA 3.360 2.860 4.070 4.165 4.165 4.165 0.095 1 0 "[ ]" 1
316 2 7 PHE H 2 50 ALA HA 3.360 2.860 4.070 4.165 4.165 4.165 0.095 1 0 "[ ]" 1
317 1 7 PHE H 1 51 GLY H 2.820 2.400 3.290 2.747 2.747 2.747 . 0 0 "[ ]" 1
318 2 7 PHE H 2 51 GLY H 2.820 2.400 3.290 2.747 2.747 2.747 . 0 0 "[ ]" 1
319 1 7 PHE H 1 52 SER HA 3.050 2.590 3.620 3.279 3.279 3.279 . 0 0 "[ ]" 1
320 2 7 PHE H 2 52 SER HA 3.050 2.590 3.620 3.280 3.280 3.280 . 0 0 "[ ]" 1
321 1 7 PHE HA 1 7 PHE HB2 2.720 2.310 3.150 3.005 3.005 3.005 . 0 0 "[ ]" 1
322 2 7 PHE HA 2 7 PHE HB2 2.720 2.310 3.150 3.005 3.005 3.005 . 0 0 "[ ]" 1
323 1 7 PHE HA 1 7 PHE HB3 2.510 2.130 2.890 2.545 2.545 2.545 . 0 0 "[ ]" 1
324 2 7 PHE HA 2 7 PHE HB3 2.510 2.130 2.890 2.545 2.545 2.545 . 0 0 "[ ]" 1
325 1 7 PHE HA 1 7 PHE QD 2.550 2.170 2.930 2.243 2.243 2.243 . 0 0 "[ ]" 1
326 2 7 PHE HA 2 7 PHE QD 2.550 2.170 2.930 2.243 2.243 2.243 . 0 0 "[ ]" 1
327 1 7 PHE HA 1 8 THR H 2.230 . 2.560 2.327 2.327 2.327 . 0 0 "[ ]" 1
328 2 7 PHE HA 2 8 THR H 2.230 . 2.560 2.325 2.325 2.325 . 0 0 "[ ]" 1
329 1 7 PHE HA 1 8 THR MG 3.300 2.800 3.980 3.265 3.265 3.265 . 0 0 "[ ]" 1
330 2 7 PHE HA 2 8 THR MG 3.300 2.800 3.980 3.265 3.265 3.265 . 0 0 "[ ]" 1
331 1 7 PHE HA 1 27 GLY HA3 2.330 . 2.680 2.705 2.705 2.705 0.025 1 0 "[ ]" 1
332 2 7 PHE HA 2 27 GLY HA3 2.330 . 2.680 2.704 2.704 2.704 0.024 1 0 "[ ]" 1
333 1 7 PHE HA 1 27 GLY HA2 2.200 . 2.530 2.083 2.083 2.083 . 0 0 "[ ]" 1
334 2 7 PHE HA 2 27 GLY HA2 2.200 . 2.530 2.083 2.083 2.083 . 0 0 "[ ]" 1
335 1 7 PHE HB2 1 7 PHE QD 2.240 . 2.580 2.279 2.279 2.279 . 0 0 "[ ]" 1
336 2 7 PHE HB2 2 7 PHE QD 2.240 . 2.580 2.280 2.280 2.280 . 0 0 "[ ]" 1
337 1 7 PHE HB2 1 8 THR H 3.110 2.640 3.700 3.761 3.761 3.761 0.061 1 0 "[ ]" 1
338 2 7 PHE HB2 2 8 THR H 3.110 2.640 3.700 3.761 3.761 3.761 0.061 1 0 "[ ]" 1
339 1 7 PHE HB2 1 48 ILE MG 3.280 2.790 3.950 3.307 3.307 3.307 . 0 0 "[ ]" 1
340 2 7 PHE HB2 2 48 ILE MG 3.280 2.790 3.950 3.307 3.307 3.307 . 0 0 "[ ]" 1
341 1 7 PHE HB2 1 50 ALA HA 2.760 2.350 3.210 2.734 2.734 2.734 . 0 0 "[ ]" 1
342 2 7 PHE HB2 2 50 ALA HA 2.760 2.350 3.210 2.735 2.735 2.735 . 0 0 "[ ]" 1
343 1 7 PHE HB2 1 51 GLY H 2.920 2.480 3.430 2.463 2.463 2.463 0.017 1 0 "[ ]" 1
344 2 7 PHE HB2 2 51 GLY H 2.920 2.480 3.430 2.463 2.463 2.463 0.017 1 0 "[ ]" 1
345 1 7 PHE HB3 1 7 PHE QD 2.330 . 2.680 2.627 2.627 2.627 . 0 0 "[ ]" 1
346 2 7 PHE HB3 2 7 PHE QD 2.330 . 2.680 2.627 2.627 2.627 . 0 0 "[ ]" 1
347 1 7 PHE HB3 1 8 THR H 2.720 2.310 3.150 2.467 2.467 2.467 . 0 0 "[ ]" 1
348 2 7 PHE HB3 2 8 THR H 2.720 2.310 3.150 2.467 2.467 2.467 . 0 0 "[ ]" 1
349 1 7 PHE HB3 1 48 ILE MG 3.540 3.010 4.340 3.572 3.572 3.572 . 0 0 "[ ]" 1
350 2 7 PHE HB3 2 48 ILE MG 3.540 3.010 4.340 3.572 3.572 3.572 . 0 0 "[ ]" 1
351 1 7 PHE HB3 1 50 ALA HA 3.060 2.600 3.630 2.980 2.980 2.980 . 0 0 "[ ]" 1
352 2 7 PHE HB3 2 50 ALA HA 3.060 2.600 3.630 2.981 2.981 2.981 . 0 0 "[ ]" 1
353 1 7 PHE HB3 1 51 GLY H 3.310 2.810 3.990 3.717 3.717 3.717 . 0 0 "[ ]" 1
354 2 7 PHE HB3 2 51 GLY H 3.310 2.810 3.990 3.716 3.716 3.716 . 0 0 "[ ]" 1
355 1 7 PHE QD 1 8 THR H 3.370 2.860 4.080 3.194 3.194 3.194 . 0 0 "[ ]" 1
356 2 7 PHE QD 2 8 THR H 3.370 2.860 4.080 3.193 3.193 3.193 . 0 0 "[ ]" 1
357 1 7 PHE QD 1 48 ILE HB 3.680 3.130 4.550 3.925 3.925 3.925 . 0 0 "[ ]" 1
358 2 7 PHE QD 2 48 ILE HB 3.680 3.130 4.550 3.925 3.925 3.925 . 0 0 "[ ]" 1
359 1 7 PHE QD 1 48 ILE MG 2.880 2.450 3.380 2.429 2.429 2.429 0.021 1 0 "[ ]" 1
360 2 7 PHE QD 2 48 ILE MG 2.880 2.450 3.380 2.429 2.429 2.429 0.021 1 0 "[ ]" 1
361 1 7 PHE QD 1 53 TYR QE 2.780 2.360 3.240 3.247 3.247 3.247 0.007 1 0 "[ ]" 1
362 2 7 PHE QD 2 53 TYR QE 2.780 2.360 3.240 3.245 3.245 3.245 0.005 1 0 "[ ]" 1
363 1 7 PHE QD 1 75 MET ME 3.430 2.920 4.170 4.205 4.205 4.205 0.035 1 0 "[ ]" 1
364 2 7 PHE QD 2 75 MET ME 3.430 2.920 4.170 4.205 4.205 4.205 0.035 1 0 "[ ]" 1
365 1 7 PHE QE 1 42 PHE QD 2.810 2.390 3.280 2.930 2.930 2.930 . 0 0 "[ ]" 1
366 2 7 PHE QE 2 42 PHE QD 2.810 2.390 3.280 2.930 2.930 2.930 . 0 0 "[ ]" 1
367 1 7 PHE QE 1 48 ILE MD 3.100 2.640 3.690 2.898 2.898 2.898 . 0 0 "[ ]" 1
368 2 7 PHE QE 2 48 ILE MD 3.100 2.640 3.690 2.898 2.898 2.898 . 0 0 "[ ]" 1
369 1 7 PHE QE 1 55 VAL MG2 3.040 2.580 3.600 2.976 2.976 2.976 . 0 0 "[ ]" 1
370 2 7 PHE QE 2 55 VAL MG2 3.040 2.580 3.600 2.977 2.977 2.977 . 0 0 "[ ]" 1
371 1 7 PHE QE 1 75 MET ME 3.230 2.750 3.880 3.546 3.546 3.546 . 0 0 "[ ]" 1
372 2 7 PHE QE 2 75 MET ME 3.230 2.750 3.880 3.547 3.547 3.547 . 0 0 "[ ]" 1
373 1 8 THR H 1 8 THR HA 2.590 2.200 2.980 2.952 2.952 2.952 . 0 0 "[ ]" 1
374 2 8 THR H 2 8 THR HA 2.590 2.200 2.980 2.952 2.952 2.952 . 0 0 "[ ]" 1
375 1 8 THR H 1 8 THR MG 2.850 2.420 3.330 2.800 2.800 2.800 . 0 0 "[ ]" 1
376 2 8 THR H 2 8 THR MG 2.850 2.420 3.330 2.800 2.800 2.800 . 0 0 "[ ]" 1
377 1 8 THR HA 1 8 THR HB 2.050 . 2.360 2.416 2.416 2.416 0.056 1 0 "[ ]" 1
378 2 8 THR HA 2 8 THR HB 2.050 . 2.360 2.416 2.416 2.416 0.056 1 0 "[ ]" 1
379 1 8 THR HA 1 8 THR MG 2.200 . 2.530 2.452 2.452 2.452 . 0 0 "[ ]" 1
380 2 8 THR HA 2 8 THR MG 2.200 . 2.530 2.451 2.451 2.451 . 0 0 "[ ]" 1
381 1 8 THR HA 1 9 ASP H 2.470 2.100 2.840 2.593 2.593 2.593 . 0 0 "[ ]" 1
382 2 8 THR HA 2 9 ASP H 2.470 2.100 2.840 2.592 2.592 2.592 . 0 0 "[ ]" 1
383 1 8 THR HA 1 50 ALA HA 3.470 2.950 4.230 3.209 3.209 3.209 . 0 0 "[ ]" 1
384 2 8 THR HA 2 50 ALA HA 3.470 2.950 4.230 3.210 3.210 3.210 . 0 0 "[ ]" 1
385 1 8 THR HA 1 50 ALA MB 2.580 2.190 2.970 2.190 2.190 2.190 . 0 0 "[ ]" 1
386 2 8 THR HA 2 50 ALA MB 2.580 2.190 2.970 2.191 2.191 2.191 . 0 0 "[ ]" 1
387 1 8 THR HB 1 8 THR MG 2.160 . 2.480 2.117 2.117 2.117 . 0 0 "[ ]" 1
388 2 8 THR HB 2 8 THR MG 2.160 . 2.480 2.117 2.117 2.117 . 0 0 "[ ]" 1
389 1 8 THR HB 1 9 ASP H 2.200 . 2.530 2.093 2.093 2.093 . 0 0 "[ ]" 1
390 2 8 THR HB 2 9 ASP H 2.200 . 2.530 2.093 2.093 2.093 . 0 0 "[ ]" 1
391 1 8 THR MG 1 26 GLU HG2 3.090 2.630 3.670 2.697 2.697 2.697 . 0 0 "[ ]" 1
392 2 8 THR MG 2 26 GLU HG2 3.090 2.630 3.670 2.693 2.693 2.693 . 0 0 "[ ]" 1
393 1 8 THR MG 1 27 GLY HA3 3.720 3.160 4.610 4.423 4.423 4.423 . 0 0 "[ ]" 1
394 2 8 THR MG 2 27 GLY HA3 3.720 3.160 4.610 4.423 4.423 4.423 . 0 0 "[ ]" 1
395 1 8 THR MG 1 27 GLY HA2 3.150 2.680 3.760 2.892 2.892 2.892 . 0 0 "[ ]" 1
396 2 8 THR MG 2 27 GLY HA2 3.150 2.680 3.760 2.894 2.894 2.894 . 0 0 "[ ]" 1
397 1 8 THR MG 1 28 PHE QD 2.880 2.450 3.370 2.612 2.612 2.612 . 0 0 "[ ]" 1
398 2 8 THR MG 2 28 PHE QD 2.880 2.450 3.370 2.613 2.613 2.613 . 0 0 "[ ]" 1
399 1 8 THR MG 1 28 PHE QE 2.610 2.220 3.000 2.797 2.797 2.797 . 0 0 "[ ]" 1
400 2 8 THR MG 2 28 PHE QE 2.610 2.220 3.000 2.799 2.799 2.799 . 0 0 "[ ]" 1
401 1 9 ASP H 1 10 SER H 2.760 2.350 3.210 2.703 2.703 2.703 . 0 0 "[ ]" 1
402 2 9 ASP H 2 10 SER H 2.760 2.350 3.210 2.703 2.703 2.703 . 0 0 "[ ]" 1
403 1 9 ASP HA 1 9 ASP HB3 2.440 2.070 2.810 2.623 2.623 2.623 . 0 0 "[ ]" 1
404 2 9 ASP HA 2 9 ASP HB3 2.440 2.070 2.810 2.623 2.623 2.623 . 0 0 "[ ]" 1
405 1 9 ASP HA 1 9 ASP HB2 2.530 2.150 2.910 2.305 2.305 2.305 . 0 0 "[ ]" 1
406 2 9 ASP HA 2 9 ASP HB2 2.530 2.150 2.910 2.305 2.305 2.305 . 0 0 "[ ]" 1
407 1 9 ASP HA 1 9 ASP QB 1.990 . 2.290 2.164 2.164 2.164 . 0 0 "[ ]" 1
408 2 9 ASP HA 2 9 ASP QB 1.990 . 2.290 2.164 2.164 2.164 . 0 0 "[ ]" 1
409 1 9 ASP HA 1 10 SER H 2.880 2.450 3.380 2.993 2.993 2.993 . 0 0 "[ ]" 1
410 2 9 ASP HA 2 10 SER H 2.880 2.450 3.380 2.993 2.993 2.993 . 0 0 "[ ]" 1
411 1 9 ASP HA 1 11 VAL MG2 3.350 2.850 4.050 3.353 3.353 3.353 . 0 0 "[ ]" 1
412 2 9 ASP HA 2 11 VAL MG2 3.350 2.850 4.050 3.354 3.354 3.354 . 0 0 "[ ]" 1
413 1 9 ASP HA 1 50 ALA MB 3.350 2.850 4.050 3.548 3.548 3.548 . 0 0 "[ ]" 1
414 2 9 ASP HA 2 50 ALA MB 3.350 2.850 4.050 3.547 3.547 3.547 . 0 0 "[ ]" 1
415 1 9 ASP HB3 1 50 ALA MB 3.230 2.750 3.880 2.910 2.910 2.910 . 0 0 "[ ]" 1
416 2 9 ASP HB3 2 50 ALA MB 3.230 2.750 3.880 2.910 2.910 2.910 . 0 0 "[ ]" 1
417 1 9 ASP HB2 1 50 ALA MB 3.270 2.780 3.930 4.059 4.059 4.059 0.129 1 0 "[ ]" 1
418 2 9 ASP HB2 2 50 ALA MB 3.270 2.780 3.930 4.059 4.059 4.059 0.129 1 0 "[ ]" 1
419 1 10 SER H 1 10 SER HA 2.920 2.480 3.430 2.934 2.934 2.934 . 0 0 "[ ]" 1
420 2 10 SER H 2 10 SER HA 2.920 2.480 3.430 2.933 2.933 2.933 . 0 0 "[ ]" 1
421 1 10 SER H 1 10 SER HB2 2.720 2.310 3.150 2.251 2.251 2.251 0.059 1 0 "[ ]" 1
422 2 10 SER H 2 10 SER HB2 2.720 2.310 3.150 2.252 2.252 2.252 0.058 1 0 "[ ]" 1
423 1 10 SER H 1 10 SER HB3 2.750 2.340 3.200 3.283 3.283 3.283 0.083 1 0 "[ ]" 1
424 2 10 SER H 2 10 SER HB3 2.750 2.340 3.200 3.283 3.283 3.283 0.083 1 0 "[ ]" 1
425 1 10 SER H 1 11 VAL QG 3.850 3.270 4.810 3.474 3.474 3.474 . 0 0 "[ ]" 1
426 2 10 SER H 2 11 VAL QG 3.850 3.270 4.810 3.476 3.476 3.476 . 0 0 "[ ]" 1
427 1 10 SER H 1 26 GLU HB2 3.700 3.140 4.580 4.402 4.402 4.402 . 0 0 "[ ]" 1
428 2 10 SER H 2 26 GLU HB2 3.700 3.140 4.580 4.402 4.402 4.402 . 0 0 "[ ]" 1
429 1 10 SER H 1 26 GLU HB3 3.600 3.060 4.430 3.012 3.012 3.012 0.048 1 0 "[ ]" 1
430 2 10 SER H 2 26 GLU HB3 3.600 3.060 4.430 3.012 3.012 3.012 0.048 1 0 "[ ]" 1
431 1 10 SER HA 1 10 SER HB2 2.370 2.010 2.730 2.867 2.867 2.867 0.137 1 0 "[ ]" 1
432 2 10 SER HA 2 10 SER HB2 2.370 2.010 2.730 2.867 2.867 2.867 0.137 1 0 "[ ]" 1
433 1 10 SER HA 1 10 SER HB3 2.400 2.040 2.760 2.802 2.802 2.802 0.042 1 0 "[ ]" 1
434 2 10 SER HA 2 10 SER HB3 2.400 2.040 2.760 2.800 2.800 2.800 0.040 1 0 "[ ]" 1
435 1 10 SER HA 1 11 VAL H 2.160 . 2.480 2.218 2.218 2.218 . 0 0 "[ ]" 1
436 2 10 SER HA 2 11 VAL H 2.160 . 2.480 2.216 2.216 2.216 . 0 0 "[ ]" 1
437 1 10 SER HA 1 11 VAL MG2 3.680 3.130 4.550 3.580 3.580 3.580 . 0 0 "[ ]" 1
438 2 10 SER HA 2 11 VAL MG2 3.680 3.130 4.550 3.580 3.580 3.580 . 0 0 "[ ]" 1
439 1 10 SER HB2 1 26 GLU HB2 2.730 2.320 3.170 3.258 3.258 3.258 0.088 1 0 "[ ]" 1
440 2 10 SER HB2 2 26 GLU HB2 2.730 2.320 3.170 3.259 3.259 3.259 0.089 1 0 "[ ]" 1
441 1 10 SER HB2 1 26 GLU HB3 2.790 2.370 3.250 2.454 2.454 2.454 . 0 0 "[ ]" 1
442 2 10 SER HB2 2 26 GLU HB3 2.790 2.370 3.250 2.456 2.456 2.456 . 0 0 "[ ]" 1
443 1 10 SER HB3 1 11 VAL H 3.900 3.310 4.890 3.997 3.997 3.997 . 0 0 "[ ]" 1
444 2 10 SER HB3 2 11 VAL H 3.900 3.310 4.890 3.998 3.998 3.998 . 0 0 "[ ]" 1
445 1 10 SER HB3 1 26 GLU H 3.640 3.090 4.490 3.513 3.513 3.513 . 0 0 "[ ]" 1
446 2 10 SER HB3 2 26 GLU H 3.640 3.090 4.490 3.515 3.515 3.515 . 0 0 "[ ]" 1
447 1 10 SER HB3 1 26 GLU HB2 2.560 2.180 2.940 2.385 2.385 2.385 . 0 0 "[ ]" 1
448 2 10 SER HB3 2 26 GLU HB2 2.560 2.180 2.940 2.386 2.386 2.386 . 0 0 "[ ]" 1
449 1 10 SER HB3 1 26 GLU HB3 2.530 2.150 2.910 2.565 2.565 2.565 . 0 0 "[ ]" 1
450 2 10 SER HB3 2 26 GLU HB3 2.530 2.150 2.910 2.565 2.565 2.565 . 0 0 "[ ]" 1
451 1 11 VAL H 1 11 VAL HA 2.900 2.460 3.400 2.949 2.949 2.949 . 0 0 "[ ]" 1
452 2 11 VAL H 2 11 VAL HA 2.900 2.460 3.400 2.949 2.949 2.949 . 0 0 "[ ]" 1
453 1 11 VAL H 1 11 VAL HB 2.820 2.400 3.290 2.896 2.896 2.896 . 0 0 "[ ]" 1
454 2 11 VAL H 2 11 VAL HB 2.820 2.400 3.290 2.897 2.897 2.897 . 0 0 "[ ]" 1
455 1 11 VAL H 1 11 VAL QG 2.690 2.290 3.110 2.444 2.444 2.444 . 0 0 "[ ]" 1
456 2 11 VAL H 2 11 VAL QG 2.690 2.290 3.110 2.444 2.444 2.444 . 0 0 "[ ]" 1
457 1 11 VAL HA 1 11 VAL HB 2.640 2.240 3.040 2.986 2.986 2.986 . 0 0 "[ ]" 1
458 2 11 VAL HA 2 11 VAL HB 2.640 2.240 3.040 2.985 2.985 2.985 . 0 0 "[ ]" 1
459 1 11 VAL HA 1 11 VAL MG2 2.730 2.320 3.170 2.615 2.615 2.615 . 0 0 "[ ]" 1
460 2 11 VAL HA 2 11 VAL MG2 2.730 2.320 3.170 2.615 2.615 2.615 . 0 0 "[ ]" 1
461 1 11 VAL HA 1 11 VAL QG 2.260 . 2.600 2.121 2.121 2.121 . 0 0 "[ ]" 1
462 2 11 VAL HA 2 11 VAL QG 2.260 . 2.600 2.122 2.122 2.122 . 0 0 "[ ]" 1
463 1 11 VAL HA 1 12 ARG H 2.220 . 2.550 2.096 2.096 2.096 . 0 0 "[ ]" 1
464 2 11 VAL HA 2 12 ARG H 2.220 . 2.550 2.097 2.097 2.097 . 0 0 "[ ]" 1
465 1 11 VAL HA 1 26 GLU H 3.110 2.640 3.700 2.967 2.967 2.967 . 0 0 "[ ]" 1
466 2 11 VAL HA 2 26 GLU H 3.110 2.640 3.700 2.965 2.965 2.965 . 0 0 "[ ]" 1
467 1 11 VAL HB 1 11 VAL MG1 2.330 . 2.680 2.130 2.130 2.130 . 0 0 "[ ]" 1
468 2 11 VAL HB 2 11 VAL MG1 2.330 . 2.680 2.130 2.130 2.130 . 0 0 "[ ]" 1
469 1 11 VAL HB 1 11 VAL MG2 2.280 . 2.620 2.092 2.092 2.092 . 0 0 "[ ]" 1
470 2 11 VAL HB 2 11 VAL MG2 2.280 . 2.620 2.092 2.092 2.092 . 0 0 "[ ]" 1
471 1 11 VAL HB 1 11 VAL QG 1.990 . 2.290 1.880 1.880 1.880 . 0 0 "[ ]" 1
472 2 11 VAL HB 2 11 VAL QG 1.990 . 2.290 1.880 1.880 1.880 . 0 0 "[ ]" 1
473 1 11 VAL MG1 1 13 GLN HG3 3.200 2.720 3.830 3.023 3.023 3.023 . 0 0 "[ ]" 1
474 2 11 VAL MG1 2 13 GLN HG3 3.200 2.720 3.830 3.022 3.022 3.022 . 0 0 "[ ]" 1
475 1 11 VAL MG1 1 23 THR HB 3.600 3.060 4.430 4.375 4.375 4.375 . 0 0 "[ ]" 1
476 2 11 VAL MG1 2 23 THR HB 3.600 3.060 4.430 4.375 4.375 4.375 . 0 0 "[ ]" 1
477 1 11 VAL MG1 1 25 GLN HG3 3.090 2.630 3.670 2.870 2.870 2.870 . 0 0 "[ ]" 1
478 2 11 VAL MG1 2 25 GLN HG3 3.090 2.630 3.670 2.870 2.870 2.870 . 0 0 "[ ]" 1
479 1 11 VAL MG1 1 25 GLN HG2 3.270 2.780 3.940 4.026 4.026 4.026 0.086 1 0 "[ ]" 1
480 2 11 VAL MG1 2 25 GLN HG2 3.270 2.780 3.940 4.025 4.025 4.025 0.085 1 0 "[ ]" 1
481 1 11 VAL MG2 1 13 GLN HG3 4.340 3.690 5.600 4.823 4.823 4.823 . 0 0 "[ ]" 1
482 2 11 VAL MG2 2 13 GLN HG3 4.340 3.690 5.600 4.822 4.822 4.822 . 0 0 "[ ]" 1
483 1 11 VAL MG2 1 25 GLN QB 2.530 2.150 2.910 2.938 2.938 2.938 0.028 1 0 "[ ]" 1
484 2 11 VAL MG2 2 25 GLN QB 2.530 2.150 2.910 2.938 2.938 2.938 0.028 1 0 "[ ]" 1
485 1 11 VAL MG2 1 25 GLN HG3 2.900 2.460 3.400 2.294 2.294 2.294 0.166 1 0 "[ ]" 1
486 2 11 VAL MG2 2 25 GLN HG3 2.900 2.460 3.400 2.294 2.294 2.294 0.166 1 0 "[ ]" 1
487 1 11 VAL MG2 1 25 GLN HG2 3.040 2.580 3.600 3.719 3.719 3.719 0.119 1 0 "[ ]" 1
488 2 11 VAL MG2 2 25 GLN HG2 3.040 2.580 3.600 3.719 3.719 3.719 0.119 1 0 "[ ]" 1
489 1 11 VAL QG 1 12 ARG H 2.710 2.300 3.140 2.729 2.729 2.729 . 0 0 "[ ]" 1
490 2 11 VAL QG 2 12 ARG H 2.710 2.300 3.140 2.730 2.730 2.730 . 0 0 "[ ]" 1
491 1 11 VAL QG 1 25 GLN HA 2.400 2.040 2.760 2.121 2.121 2.121 . 0 0 "[ ]" 1
492 2 11 VAL QG 2 25 GLN HA 2.400 2.040 2.760 2.120 2.120 2.120 . 0 0 "[ ]" 1
493 1 11 VAL QG 1 25 GLN HG3 2.340 . 2.690 2.207 2.207 2.207 . 0 0 "[ ]" 1
494 2 11 VAL QG 2 25 GLN HG3 2.340 . 2.690 2.207 2.207 2.207 . 0 0 "[ ]" 1
495 1 12 ARG H 1 12 ARG HA 2.890 2.460 3.390 2.916 2.916 2.916 . 0 0 "[ ]" 1
496 2 12 ARG H 2 12 ARG HA 2.890 2.460 3.390 2.916 2.916 2.916 . 0 0 "[ ]" 1
497 1 12 ARG H 1 12 ARG HB3 2.760 2.350 3.210 2.673 2.673 2.673 . 0 0 "[ ]" 1
498 2 12 ARG H 2 12 ARG HB3 2.760 2.350 3.210 2.672 2.672 2.672 . 0 0 "[ ]" 1
499 1 12 ARG HA 1 12 ARG QG 2.070 . 2.380 2.212 2.212 2.212 . 0 0 "[ ]" 1
500 2 12 ARG HA 2 12 ARG QG 2.070 . 2.380 2.212 2.212 2.212 . 0 0 "[ ]" 1
501 1 12 ARG HB3 1 24 PHE H 3.530 3.000 4.320 3.429 3.429 3.429 . 0 0 "[ ]" 1
502 2 12 ARG HB3 2 24 PHE H 3.530 3.000 4.320 3.428 3.428 3.428 . 0 0 "[ ]" 1
503 1 12 ARG HB2 1 12 ARG QD 3.240 2.750 3.890 2.735 2.735 2.735 0.015 1 0 "[ ]" 1
504 2 12 ARG HB2 2 12 ARG QD 3.240 2.750 3.890 2.735 2.735 2.735 0.015 1 0 "[ ]" 1
505 1 12 ARG HB2 1 24 PHE QB 2.870 2.440 3.360 3.397 3.397 3.397 0.037 1 0 "[ ]" 1
506 2 12 ARG HB2 2 24 PHE QB 2.870 2.440 3.360 3.397 3.397 3.397 0.037 1 0 "[ ]" 1
507 1 12 ARG QG 1 22 TYR QE 3.280 2.790 3.950 2.791 2.791 2.791 . 0 0 "[ ]" 1
508 2 12 ARG QG 2 22 TYR QE 3.280 2.790 3.950 2.791 2.791 2.791 . 0 0 "[ ]" 1
509 1 12 ARG QG 1 24 PHE QB 2.910 2.470 3.420 3.515 3.515 3.515 0.095 1 0 "[ ]" 1
510 2 12 ARG QG 2 24 PHE QB 2.910 2.470 3.420 3.515 3.515 3.515 0.095 1 0 "[ ]" 1
511 1 13 GLN H 1 13 GLN HB3 3.280 2.790 3.950 3.733 3.733 3.733 . 0 0 "[ ]" 1
512 2 13 GLN H 2 13 GLN HB3 3.280 2.790 3.950 3.735 3.735 3.735 . 0 0 "[ ]" 1
513 1 13 GLN H 1 13 GLN HG2 3.530 3.000 4.320 3.891 3.891 3.891 . 0 0 "[ ]" 1
514 2 13 GLN H 2 13 GLN HG2 3.530 3.000 4.320 3.895 3.895 3.895 . 0 0 "[ ]" 1
515 1 13 GLN HA 1 13 GLN HB3 2.570 2.180 2.960 2.398 2.398 2.398 . 0 0 "[ ]" 1
516 2 13 GLN HA 2 13 GLN HB3 2.570 2.180 2.960 2.399 2.399 2.399 . 0 0 "[ ]" 1
517 1 13 GLN HA 1 13 GLN HG3 3.150 2.680 3.760 2.882 2.882 2.882 . 0 0 "[ ]" 1
518 2 13 GLN HA 2 13 GLN HG3 3.150 2.680 3.760 2.885 2.885 2.885 . 0 0 "[ ]" 1
519 1 13 GLN HA 1 13 GLN HG2 2.820 2.400 3.290 2.824 2.824 2.824 . 0 0 "[ ]" 1
520 2 13 GLN HA 2 13 GLN HG2 2.820 2.400 3.290 2.830 2.830 2.830 . 0 0 "[ ]" 1
521 1 13 GLN HA 1 14 GLY H 2.340 . 2.690 2.277 2.277 2.277 . 0 0 "[ ]" 1
522 2 13 GLN HA 2 14 GLY H 2.340 . 2.690 2.276 2.276 2.276 . 0 0 "[ ]" 1
523 1 13 GLN HA 1 22 TYR QD 3.550 3.020 4.350 3.665 3.665 3.665 . 0 0 "[ ]" 1
524 2 13 GLN HA 2 22 TYR QD 3.550 3.020 4.350 3.664 3.664 3.664 . 0 0 "[ ]" 1
525 1 13 GLN HA 1 23 THR HA 2.260 . 2.600 2.643 2.643 2.643 0.043 1 0 "[ ]" 1
526 2 13 GLN HA 2 23 THR HA 2.260 . 2.600 2.644 2.644 2.644 0.044 1 0 "[ ]" 1
527 1 13 GLN HA 1 23 THR MG 3.140 2.670 3.750 3.881 3.881 3.881 0.131 1 0 "[ ]" 1
528 2 13 GLN HA 2 23 THR MG 3.140 2.670 3.750 3.883 3.883 3.883 0.133 1 0 "[ ]" 1
529 1 13 GLN HA 1 24 PHE H 3.290 2.800 3.970 3.280 3.280 3.280 . 0 0 "[ ]" 1
530 2 13 GLN HA 2 24 PHE H 3.290 2.800 3.970 3.280 3.280 3.280 . 0 0 "[ ]" 1
531 1 13 GLN HB2 1 13 GLN HG2 3.040 2.580 3.600 2.989 2.989 2.989 . 0 0 "[ ]" 1
532 2 13 GLN HB2 2 13 GLN HG2 3.040 2.580 3.600 2.990 2.990 2.990 . 0 0 "[ ]" 1
533 1 13 GLN HB2 1 14 GLY H 3.410 2.900 4.140 3.853 3.853 3.853 . 0 0 "[ ]" 1
534 2 13 GLN HB2 2 14 GLY H 3.410 2.900 4.140 3.854 3.854 3.854 . 0 0 "[ ]" 1
535 1 13 GLN HB3 1 13 GLN HG2 2.740 2.330 3.180 2.315 2.315 2.315 0.015 1 0 "[ ]" 1
536 2 13 GLN HB3 2 13 GLN HG2 2.740 2.330 3.180 2.315 2.315 2.315 0.015 1 0 "[ ]" 1
537 1 13 GLN HB3 1 14 GLY H 3.040 2.580 3.600 2.944 2.944 2.944 . 0 0 "[ ]" 1
538 2 13 GLN HB3 2 14 GLY H 3.040 2.580 3.600 2.947 2.947 2.947 . 0 0 "[ ]" 1
539 1 13 GLN HB3 1 23 THR MG 3.490 2.970 4.260 4.130 4.130 4.130 . 0 0 "[ ]" 1
540 2 13 GLN HB3 2 23 THR MG 3.490 2.970 4.260 4.129 4.129 4.129 . 0 0 "[ ]" 1
541 1 13 GLN HG3 1 23 THR MG 3.640 3.090 4.490 3.480 3.480 3.480 . 0 0 "[ ]" 1
542 2 13 GLN HG3 2 23 THR MG 3.640 3.090 4.490 3.482 3.482 3.482 . 0 0 "[ ]" 1
543 1 13 GLN HE22 1 13 GLN HG2 3.280 2.790 3.950 3.470 3.470 3.470 . 0 0 "[ ]" 1
544 2 13 GLN HE22 2 13 GLN HG2 3.280 2.790 3.950 3.466 3.466 3.466 . 0 0 "[ ]" 1
545 1 13 GLN HG2 1 23 THR HA 2.730 2.320 3.170 3.196 3.196 3.196 0.026 1 0 "[ ]" 1
546 2 13 GLN HG2 2 23 THR HA 2.730 2.320 3.170 3.199 3.199 3.199 0.029 1 0 "[ ]" 1
547 1 13 GLN HG2 1 23 THR MG 2.950 2.510 3.480 2.370 2.370 2.370 0.140 1 0 "[ ]" 1
548 2 13 GLN HG2 2 23 THR MG 2.950 2.510 3.480 2.372 2.372 2.372 0.138 1 0 "[ ]" 1
549 1 14 GLY H 1 14 GLY HA3 2.860 2.430 3.350 2.854 2.854 2.854 . 0 0 "[ ]" 1
550 2 14 GLY H 2 14 GLY HA3 2.860 2.430 3.350 2.852 2.852 2.852 . 0 0 "[ ]" 1
551 1 14 GLY H 1 14 GLY HA2 2.980 2.530 3.520 2.779 2.779 2.779 . 0 0 "[ ]" 1
552 2 14 GLY H 2 14 GLY HA2 2.980 2.530 3.520 2.778 2.778 2.778 . 0 0 "[ ]" 1
553 1 14 GLY H 1 22 TYR H 2.970 2.530 3.500 3.099 3.099 3.099 . 0 0 "[ ]" 1
554 2 14 GLY H 2 22 TYR H 2.970 2.530 3.500 3.098 3.098 3.098 . 0 0 "[ ]" 1
555 1 14 GLY HA3 1 15 THR H 2.520 2.140 2.900 2.523 2.523 2.523 . 0 0 "[ ]" 1
556 2 14 GLY HA3 2 15 THR H 2.520 2.140 2.900 2.523 2.523 2.523 . 0 0 "[ ]" 1
557 1 14 GLY HA3 1 22 TYR QE 3.110 2.640 3.700 3.318 3.318 3.318 . 0 0 "[ ]" 1
558 2 14 GLY HA3 2 22 TYR QE 3.110 2.640 3.700 3.319 3.319 3.319 . 0 0 "[ ]" 1
559 1 14 GLY HA2 1 15 THR H 2.660 2.260 3.070 2.563 2.563 2.563 . 0 0 "[ ]" 1
560 2 14 GLY HA2 2 15 THR H 2.660 2.260 3.070 2.564 2.564 2.564 . 0 0 "[ ]" 1
561 1 15 THR H 1 15 THR HA 2.900 2.460 3.400 2.949 2.949 2.949 . 0 0 "[ ]" 1
562 2 15 THR H 2 15 THR HA 2.900 2.460 3.400 2.948 2.948 2.948 . 0 0 "[ ]" 1
563 1 15 THR H 1 15 THR HB 3.120 2.650 3.720 3.292 3.292 3.292 . 0 0 "[ ]" 1
564 2 15 THR H 2 15 THR HB 3.120 2.650 3.720 3.292 3.292 3.292 . 0 0 "[ ]" 1
565 1 15 THR H 1 15 THR MG 3.740 3.180 4.640 3.566 3.566 3.566 . 0 0 "[ ]" 1
566 2 15 THR H 2 15 THR MG 3.740 3.180 4.640 3.567 3.567 3.567 . 0 0 "[ ]" 1
567 1 15 THR H 1 22 TYR QE 3.740 3.180 4.640 3.410 3.410 3.410 . 0 0 "[ ]" 1
568 2 15 THR H 2 22 TYR QE 3.740 3.180 4.640 3.411 3.411 3.411 . 0 0 "[ ]" 1
569 1 15 THR HA 1 15 THR HB 2.650 2.250 3.060 2.821 2.821 2.821 . 0 0 "[ ]" 1
570 2 15 THR HA 2 15 THR HB 2.650 2.250 3.060 2.822 2.822 2.822 . 0 0 "[ ]" 1
571 1 15 THR HA 1 15 THR MG 2.690 2.290 3.110 2.187 2.187 2.187 0.103 1 0 "[ ]" 1
572 2 15 THR HA 2 15 THR MG 2.690 2.290 3.110 2.188 2.188 2.188 0.102 1 0 "[ ]" 1
573 1 15 THR HA 1 21 PRO HA 2.220 . 2.550 2.387 2.387 2.387 . 0 0 "[ ]" 1
574 2 15 THR HA 2 21 PRO HA 2.220 . 2.550 2.388 2.388 2.388 . 0 0 "[ ]" 1
575 1 15 THR HA 1 22 TYR QD 2.810 2.390 3.280 3.214 3.214 3.214 . 0 0 "[ ]" 1
576 2 15 THR HA 2 22 TYR QD 2.810 2.390 3.280 3.213 3.213 3.213 . 0 0 "[ ]" 1
577 1 15 THR HA 1 22 TYR QE 3.360 2.860 4.070 3.543 3.543 3.543 . 0 0 "[ ]" 1
578 2 15 THR HA 2 22 TYR QE 3.360 2.860 4.070 3.543 3.543 3.543 . 0 0 "[ ]" 1
579 1 15 THR HB 1 15 THR MG 2.550 2.170 2.930 2.139 2.139 2.139 0.031 1 0 "[ ]" 1
580 2 15 THR HB 2 15 THR MG 2.550 2.170 2.930 2.140 2.140 2.140 0.030 1 0 "[ ]" 1
581 1 15 THR HB 1 16 SER H 3.340 2.840 4.040 3.177 3.177 3.177 . 0 0 "[ ]" 1
582 2 15 THR HB 2 16 SER H 3.340 2.840 4.040 3.178 3.178 3.178 . 0 0 "[ ]" 1
583 1 15 THR MG 1 16 SER H 3.390 2.880 4.110 2.892 2.892 2.892 . 0 0 "[ ]" 1
584 2 15 THR MG 2 16 SER H 3.390 2.880 4.110 2.892 2.892 2.892 . 0 0 "[ ]" 1
585 1 15 THR MG 1 19 GLY H 3.940 3.350 4.950 4.214 4.214 4.214 . 0 0 "[ ]" 1
586 2 15 THR MG 2 19 GLY H 3.940 3.350 4.950 4.215 4.215 4.215 . 0 0 "[ ]" 1
587 1 15 THR MG 1 19 GLY HA2 2.800 2.380 3.260 2.863 2.863 2.863 . 0 0 "[ ]" 1
588 2 15 THR MG 2 19 GLY HA2 2.800 2.380 3.260 2.864 2.864 2.864 . 0 0 "[ ]" 1
589 1 15 THR MG 1 19 GLY HA3 3.260 2.770 3.920 3.897 3.897 3.897 . 0 0 "[ ]" 1
590 2 15 THR MG 2 19 GLY HA3 3.260 2.770 3.920 3.898 3.898 3.898 . 0 0 "[ ]" 1
591 1 15 THR MG 1 20 ASN H 4.320 3.670 5.560 3.748 3.748 3.748 . 0 0 "[ ]" 1
592 2 15 THR MG 2 20 ASN H 4.320 3.670 5.560 3.747 3.747 3.747 . 0 0 "[ ]" 1
593 1 15 THR MG 1 21 PRO HA 3.220 2.740 3.860 2.688 2.688 2.688 0.052 1 0 "[ ]" 1
594 2 15 THR MG 2 21 PRO HA 3.220 2.740 3.860 2.689 2.689 2.689 0.051 1 0 "[ ]" 1
595 1 16 SER H 1 16 SER HB2 3.200 2.720 3.830 3.443 3.443 3.443 . 0 0 "[ ]" 1
596 2 16 SER H 2 16 SER HB2 3.200 2.720 3.830 3.442 3.442 3.442 . 0 0 "[ ]" 1
597 1 16 SER H 1 20 ASN H 3.170 2.690 3.790 3.241 3.241 3.241 . 0 0 "[ ]" 1
598 2 16 SER H 2 20 ASN H 3.170 2.690 3.790 3.240 3.240 3.240 . 0 0 "[ ]" 1
599 1 16 SER H 1 21 PRO HA 3.720 3.160 4.610 3.722 3.722 3.722 . 0 0 "[ ]" 1
600 2 16 SER H 2 21 PRO HA 3.720 3.160 4.610 3.721 3.721 3.721 . 0 0 "[ ]" 1
601 1 16 SER H 1 22 TYR QD 3.510 2.980 4.290 2.964 2.964 2.964 0.016 1 0 "[ ]" 1
602 2 16 SER H 2 22 TYR QD 3.510 2.980 4.290 2.963 2.963 2.963 0.017 1 0 "[ ]" 1
603 1 16 SER HA 1 16 SER HB3 2.420 2.060 2.780 2.268 2.268 2.268 . 0 0 "[ ]" 1
604 2 16 SER HA 2 16 SER HB3 2.420 2.060 2.780 2.268 2.268 2.268 . 0 0 "[ ]" 1
605 1 16 SER HA 1 16 SER HB2 2.320 . 2.670 2.689 2.689 2.689 0.019 1 0 "[ ]" 1
606 2 16 SER HA 2 16 SER HB2 2.320 . 2.670 2.690 2.690 2.690 0.020 1 0 "[ ]" 1
607 1 16 SER HA 1 17 ALA H 2.120 . 2.440 2.475 2.475 2.475 0.035 1 0 "[ ]" 1
608 2 16 SER HA 2 17 ALA H 2.120 . 2.440 2.474 2.474 2.474 0.034 1 0 "[ ]" 1
609 1 16 SER HA 1 22 TYR QD 3.020 2.570 3.570 3.501 3.501 3.501 . 0 0 "[ ]" 1
610 2 16 SER HA 2 22 TYR QD 3.020 2.570 3.570 3.500 3.500 3.500 . 0 0 "[ ]" 1
611 1 16 SER HA 1 22 TYR QE 2.870 2.440 3.360 2.883 2.883 2.883 . 0 0 "[ ]" 1
612 2 16 SER HA 2 22 TYR QE 2.870 2.440 3.360 2.882 2.882 2.882 . 0 0 "[ ]" 1
613 1 16 SER HB3 1 20 ASN H 3.890 3.310 4.870 4.713 4.713 4.713 . 0 0 "[ ]" 1
614 2 16 SER HB3 2 20 ASN H 3.890 3.310 4.870 4.712 4.712 4.712 . 0 0 "[ ]" 1
615 1 16 SER HB3 1 22 TYR QD 3.170 2.690 3.790 2.969 2.969 2.969 . 0 0 "[ ]" 1
616 2 16 SER HB3 2 22 TYR QD 3.170 2.690 3.790 2.971 2.971 2.971 . 0 0 "[ ]" 1
617 1 16 SER HB2 1 17 ALA H 2.750 2.340 3.200 2.329 2.329 2.329 0.011 1 0 "[ ]" 1
618 2 16 SER HB2 2 17 ALA H 2.750 2.340 3.200 2.329 2.329 2.329 0.011 1 0 "[ ]" 1
619 1 17 ALA H 1 17 ALA HA 3.030 2.580 3.590 2.806 2.806 2.806 . 0 0 "[ ]" 1
620 2 17 ALA H 2 17 ALA HA 3.030 2.580 3.590 2.806 2.806 2.806 . 0 0 "[ ]" 1
621 1 17 ALA H 1 17 ALA MB 2.570 2.180 2.960 2.081 2.081 2.081 0.099 1 0 "[ ]" 1
622 2 17 ALA H 2 17 ALA MB 2.570 2.180 2.960 2.083 2.083 2.083 0.097 1 0 "[ ]" 1
623 1 17 ALA H 1 18 LYS H 3.240 2.750 3.890 2.685 2.685 2.685 0.065 1 0 "[ ]" 1
624 2 17 ALA H 2 18 LYS H 3.240 2.750 3.890 2.686 2.686 2.686 0.064 1 0 "[ ]" 1
625 1 17 ALA HA 1 17 ALA MB 2.380 2.020 2.740 2.101 2.101 2.101 . 0 0 "[ ]" 1
626 2 17 ALA HA 2 17 ALA MB 2.380 2.020 2.740 2.102 2.102 2.102 . 0 0 "[ ]" 1
627 1 17 ALA HA 1 18 LYS H 3.220 2.740 3.860 3.470 3.470 3.470 . 0 0 "[ ]" 1
628 2 17 ALA HA 2 18 LYS H 3.220 2.740 3.860 3.471 3.471 3.471 . 0 0 "[ ]" 1
629 1 18 LYS H 1 18 LYS HA 2.750 2.340 3.200 2.909 2.909 2.909 . 0 0 "[ ]" 1
630 2 18 LYS H 2 18 LYS HA 2.750 2.340 3.200 2.910 2.910 2.910 . 0 0 "[ ]" 1
631 1 18 LYS H 1 18 LYS HB2 2.600 2.210 2.990 2.501 2.501 2.501 . 0 0 "[ ]" 1
632 2 18 LYS H 2 18 LYS HB2 2.600 2.210 2.990 2.501 2.501 2.501 . 0 0 "[ ]" 1
633 1 18 LYS H 1 18 LYS HB3 3.270 2.780 3.940 3.624 3.624 3.624 . 0 0 "[ ]" 1
634 2 18 LYS H 2 18 LYS HB3 3.270 2.780 3.940 3.625 3.625 3.625 . 0 0 "[ ]" 1
635 1 18 LYS H 1 19 GLY H 2.900 2.460 3.400 2.593 2.593 2.593 . 0 0 "[ ]" 1
636 2 18 LYS H 2 19 GLY H 2.900 2.460 3.400 2.595 2.595 2.595 . 0 0 "[ ]" 1
637 1 18 LYS HA 1 18 LYS HB2 2.870 2.440 3.360 3.019 3.019 3.019 . 0 0 "[ ]" 1
638 2 18 LYS HA 2 18 LYS HB2 2.870 2.440 3.360 3.021 3.021 3.021 . 0 0 "[ ]" 1
639 1 18 LYS HA 1 18 LYS HB3 2.740 2.330 3.180 2.432 2.432 2.432 . 0 0 "[ ]" 1
640 2 18 LYS HA 2 18 LYS HB3 2.740 2.330 3.180 2.434 2.434 2.434 . 0 0 "[ ]" 1
641 1 18 LYS HA 1 18 LYS HG3 3.450 2.930 4.200 3.746 3.746 3.746 . 0 0 "[ ]" 1
642 2 18 LYS HA 2 18 LYS HG3 3.450 2.930 4.200 3.747 3.747 3.747 . 0 0 "[ ]" 1
643 1 18 LYS HA 1 18 LYS HG2 3.590 3.050 4.410 3.068 3.068 3.068 . 0 0 "[ ]" 1
644 2 18 LYS HA 2 18 LYS HG2 3.590 3.050 4.410 3.067 3.067 3.067 . 0 0 "[ ]" 1
645 1 18 LYS HA 1 19 GLY H 3.070 2.610 3.650 3.210 3.210 3.210 . 0 0 "[ ]" 1
646 2 18 LYS HA 2 19 GLY H 3.070 2.610 3.650 3.210 3.210 3.210 . 0 0 "[ ]" 1
647 1 18 LYS HB2 1 19 GLY H 3.700 3.140 4.580 3.713 3.713 3.713 . 0 0 "[ ]" 1
648 2 18 LYS HB2 2 19 GLY H 3.700 3.140 4.580 3.715 3.715 3.715 . 0 0 "[ ]" 1
649 1 18 LYS HB3 1 18 LYS HG3 3.120 2.650 3.720 2.478 2.478 2.478 0.172 1 0 "[ ]" 1
650 2 18 LYS HB3 2 18 LYS HG3 3.120 2.650 3.720 2.478 2.478 2.478 0.172 1 0 "[ ]" 1
651 1 18 LYS HB3 1 18 LYS HG2 2.690 2.290 3.110 3.024 3.024 3.024 . 0 0 "[ ]" 1
652 2 18 LYS HB3 2 18 LYS HG2 2.690 2.290 3.110 3.024 3.024 3.024 . 0 0 "[ ]" 1
653 1 18 LYS HB3 1 19 GLY H 3.910 3.320 4.910 4.396 4.396 4.396 . 0 0 "[ ]" 1
654 2 18 LYS HB3 2 19 GLY H 3.910 3.320 4.910 4.397 4.397 4.397 . 0 0 "[ ]" 1
655 1 19 GLY H 1 19 GLY HA2 2.540 2.160 2.920 2.304 2.304 2.304 . 0 0 "[ ]" 1
656 2 19 GLY H 2 19 GLY HA2 2.540 2.160 2.920 2.305 2.305 2.305 . 0 0 "[ ]" 1
657 1 19 GLY H 1 19 GLY HA3 2.880 2.450 3.380 2.869 2.869 2.869 . 0 0 "[ ]" 1
658 2 19 GLY H 2 19 GLY HA3 2.880 2.450 3.380 2.870 2.870 2.870 . 0 0 "[ ]" 1
659 1 19 GLY H 1 20 ASN H 2.690 2.290 3.110 2.629 2.629 2.629 . 0 0 "[ ]" 1
660 2 19 GLY H 2 20 ASN H 2.690 2.290 3.110 2.630 2.630 2.630 . 0 0 "[ ]" 1
661 1 19 GLY HA2 1 20 ASN H 3.280 2.790 3.950 3.285 3.285 3.285 . 0 0 "[ ]" 1
662 2 19 GLY HA2 2 20 ASN H 3.280 2.790 3.950 3.285 3.285 3.285 . 0 0 "[ ]" 1
663 1 19 GLY HA3 1 20 ASN H 3.360 2.860 4.070 3.333 3.333 3.333 . 0 0 "[ ]" 1
664 2 19 GLY HA3 2 20 ASN H 3.360 2.860 4.070 3.334 3.334 3.334 . 0 0 "[ ]" 1
665 1 20 ASN H 1 20 ASN HA 3.110 2.640 3.700 2.897 2.897 2.897 . 0 0 "[ ]" 1
666 2 20 ASN H 2 20 ASN HA 3.110 2.640 3.700 2.897 2.897 2.897 . 0 0 "[ ]" 1
667 1 20 ASN H 1 20 ASN HB2 2.770 2.350 3.220 2.370 2.370 2.370 . 0 0 "[ ]" 1
668 2 20 ASN H 2 20 ASN HB2 2.770 2.350 3.220 2.370 2.370 2.370 . 0 0 "[ ]" 1
669 1 20 ASN H 1 20 ASN HB3 3.390 2.880 4.110 3.596 3.596 3.596 . 0 0 "[ ]" 1
670 2 20 ASN H 2 20 ASN HB3 3.390 2.880 4.110 3.597 3.597 3.597 . 0 0 "[ ]" 1
671 1 20 ASN HA 1 20 ASN HB2 2.850 2.420 3.330 3.016 3.016 3.016 . 0 0 "[ ]" 1
672 2 20 ASN HA 2 20 ASN HB2 2.850 2.420 3.330 3.016 3.016 3.016 . 0 0 "[ ]" 1
673 1 20 ASN HA 1 20 ASN HB3 2.530 2.150 2.910 2.517 2.517 2.517 . 0 0 "[ ]" 1
674 2 20 ASN HA 2 20 ASN HB3 2.530 2.150 2.910 2.517 2.517 2.517 . 0 0 "[ ]" 1
675 1 20 ASN HA 1 21 PRO HG3 3.420 2.910 4.160 4.182 4.182 4.182 0.022 1 0 "[ ]" 1
676 2 20 ASN HA 2 21 PRO HG3 3.420 2.910 4.160 4.183 4.183 4.183 0.023 1 0 "[ ]" 1
677 1 20 ASN HA 1 21 PRO HD2 2.250 . 2.590 2.608 2.608 2.608 0.018 1 0 "[ ]" 1
678 2 20 ASN HA 2 21 PRO HD2 2.250 . 2.590 2.608 2.608 2.608 0.018 1 0 "[ ]" 1
679 1 20 ASN HA 1 21 PRO HD3 2.110 . 2.430 1.950 1.950 1.950 . 0 0 "[ ]" 1
680 2 20 ASN HA 2 21 PRO HD3 2.110 . 2.430 1.950 1.950 1.950 . 0 0 "[ ]" 1
681 1 20 ASN HB2 1 20 ASN HD22 3.590 3.050 4.410 3.987 3.987 3.987 . 0 0 "[ ]" 1
682 2 20 ASN HB2 2 20 ASN HD22 3.590 3.050 4.410 3.987 3.987 3.987 . 0 0 "[ ]" 1
683 1 20 ASN HB2 1 21 PRO HD2 3.360 2.860 4.070 4.098 4.098 4.098 0.028 1 0 "[ ]" 1
684 2 20 ASN HB2 2 21 PRO HD2 3.360 2.860 4.070 4.097 4.097 4.097 0.027 1 0 "[ ]" 1
685 1 20 ASN HB3 1 20 ASN HD22 3.970 3.370 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
686 2 20 ASN HB3 2 20 ASN HD22 3.970 3.370 5.000 3.458 3.458 3.458 . 0 0 "[ ]" 1
687 1 20 ASN HB3 1 21 PRO HD2 2.900 2.460 3.400 2.541 2.541 2.541 . 0 0 "[ ]" 1
688 2 20 ASN HB3 2 21 PRO HD2 2.900 2.460 3.400 2.541 2.541 2.541 . 0 0 "[ ]" 1
689 1 21 PRO HA 1 21 PRO HB3 2.740 2.330 3.180 2.275 2.275 2.275 0.055 1 0 "[ ]" 1
690 2 21 PRO HA 2 21 PRO HB3 2.740 2.330 3.180 2.275 2.275 2.275 0.055 1 0 "[ ]" 1
691 1 21 PRO HA 1 21 PRO HB2 2.400 2.040 2.760 2.703 2.703 2.703 . 0 0 "[ ]" 1
692 2 21 PRO HA 2 21 PRO HB2 2.400 2.040 2.760 2.703 2.703 2.703 . 0 0 "[ ]" 1
693 1 21 PRO HA 1 21 PRO HG3 3.050 2.590 4.120 3.937 3.937 3.937 . 0 0 "[ ]" 1
694 2 21 PRO HA 2 21 PRO HG3 3.050 2.590 4.120 3.937 3.937 3.937 . 0 0 "[ ]" 1
695 1 21 PRO HB3 1 21 PRO HD2 3.130 2.660 4.230 3.951 3.951 3.951 . 0 0 "[ ]" 1
696 2 21 PRO HB3 2 21 PRO HD2 3.130 2.660 4.230 3.951 3.951 3.951 . 0 0 "[ ]" 1
697 1 21 PRO HB3 1 21 PRO HD3 3.300 2.800 4.480 3.385 3.385 3.385 . 0 0 "[ ]" 1
698 2 21 PRO HB3 2 21 PRO HD3 3.300 2.800 4.480 3.385 3.385 3.385 . 0 0 "[ ]" 1
699 1 21 PRO HB3 1 22 TYR H 3.400 2.890 4.130 3.829 3.829 3.829 . 0 0 "[ ]" 1
700 2 21 PRO HB3 2 22 TYR H 3.400 2.890 4.130 3.830 3.830 3.830 . 0 0 "[ ]" 1
701 1 21 PRO HB2 1 21 PRO HD3 3.160 2.690 4.280 4.065 4.065 4.065 . 0 0 "[ ]" 1
702 2 21 PRO HB2 2 21 PRO HD3 3.160 2.690 4.280 4.066 4.066 4.066 . 0 0 "[ ]" 1
703 1 21 PRO HB2 1 22 TYR H 3.310 2.810 3.990 3.284 3.284 3.284 . 0 0 "[ ]" 1
704 2 21 PRO HB2 2 22 TYR H 3.310 2.810 3.990 3.286 3.286 3.286 . 0 0 "[ ]" 1
705 1 21 PRO HD3 1 21 PRO HG3 2.530 2.150 2.910 2.254 2.254 2.254 . 0 0 "[ ]" 1
706 2 21 PRO HD3 2 21 PRO HG3 2.530 2.150 2.910 2.254 2.254 2.254 . 0 0 "[ ]" 1
707 1 21 PRO HD2 1 21 PRO HG2 2.220 . 2.550 2.260 2.260 2.260 . 0 0 "[ ]" 1
708 2 21 PRO HD2 2 21 PRO HG2 2.220 . 2.550 2.260 2.260 2.260 . 0 0 "[ ]" 1
709 1 22 TYR H 1 22 TYR HB2 3.490 2.970 4.260 3.865 3.865 3.865 . 0 0 "[ ]" 1
710 2 22 TYR H 2 22 TYR HB2 3.490 2.970 4.260 3.865 3.865 3.865 . 0 0 "[ ]" 1
711 1 22 TYR H 1 22 TYR HB3 3.430 2.920 4.170 3.188 3.188 3.188 . 0 0 "[ ]" 1
712 2 22 TYR H 2 22 TYR HB3 3.430 2.920 4.170 3.187 3.187 3.187 . 0 0 "[ ]" 1
713 1 22 TYR H 1 22 TYR QD 3.260 2.770 3.920 3.055 3.055 3.055 . 0 0 "[ ]" 1
714 2 22 TYR H 2 22 TYR QD 3.260 2.770 3.920 3.054 3.054 3.054 . 0 0 "[ ]" 1
715 1 22 TYR HA 1 22 TYR HB2 2.360 2.010 2.710 2.412 2.412 2.412 . 0 0 "[ ]" 1
716 2 22 TYR HA 2 22 TYR HB2 2.360 2.010 2.710 2.412 2.412 2.412 . 0 0 "[ ]" 1
717 1 22 TYR HA 1 22 TYR HB3 2.310 . 2.660 2.468 2.468 2.468 . 0 0 "[ ]" 1
718 2 22 TYR HA 2 22 TYR HB3 2.310 . 2.660 2.468 2.468 2.468 . 0 0 "[ ]" 1
719 1 22 TYR HA 1 22 TYR QD 3.120 2.650 3.720 3.695 3.695 3.695 . 0 0 "[ ]" 1
720 2 22 TYR HA 2 22 TYR QD 3.120 2.650 3.720 3.695 3.695 3.695 . 0 0 "[ ]" 1
721 1 22 TYR HA 1 23 THR H 2.300 . 2.640 2.225 2.225 2.225 . 0 0 "[ ]" 1
722 2 22 TYR HA 2 23 THR H 2.300 . 2.640 2.225 2.225 2.225 . 0 0 "[ ]" 1
723 1 22 TYR HA 1 43 PHE QE 3.070 2.610 3.650 3.048 3.048 3.048 . 0 0 "[ ]" 1
724 2 22 TYR HA 2 43 PHE QE 3.070 2.610 3.650 3.049 3.049 3.049 . 0 0 "[ ]" 1
725 1 22 TYR HB2 1 22 TYR QD 2.560 2.180 2.940 2.475 2.475 2.475 . 0 0 "[ ]" 1
726 2 22 TYR HB2 2 22 TYR QD 2.560 2.180 2.940 2.475 2.475 2.475 . 0 0 "[ ]" 1
727 1 22 TYR HB2 1 23 THR H 2.720 2.310 3.150 2.797 2.797 2.797 . 0 0 "[ ]" 1
728 2 22 TYR HB2 2 23 THR H 2.720 2.310 3.150 2.796 2.796 2.796 . 0 0 "[ ]" 1
729 1 22 TYR HB3 1 22 TYR QD 2.550 2.170 2.930 2.320 2.320 2.320 . 0 0 "[ ]" 1
730 2 22 TYR HB3 2 22 TYR QD 2.550 2.170 2.930 2.319 2.319 2.319 . 0 0 "[ ]" 1
731 1 22 TYR HB3 1 23 THR H 3.310 2.810 3.990 3.986 3.986 3.986 . 0 0 "[ ]" 1
732 2 22 TYR HB3 2 23 THR H 3.310 2.810 3.990 3.986 3.986 3.986 . 0 0 "[ ]" 1
733 1 22 TYR QD 1 23 THR H 4.070 3.460 5.160 3.447 3.447 3.447 0.013 1 0 "[ ]" 1
734 2 22 TYR QD 2 23 THR H 4.070 3.460 5.160 3.448 3.448 3.448 0.012 1 0 "[ ]" 1
735 1 22 TYR QD 1 23 THR HA 3.190 2.710 3.820 3.305 3.305 3.305 . 0 0 "[ ]" 1
736 2 22 TYR QD 2 23 THR HA 3.190 2.710 3.820 3.306 3.306 3.306 . 0 0 "[ ]" 1
737 1 23 THR H 1 23 THR HB 2.720 2.310 3.150 2.688 2.688 2.688 . 0 0 "[ ]" 1
738 2 23 THR H 2 23 THR HB 2.720 2.310 3.150 2.688 2.688 2.688 . 0 0 "[ ]" 1
739 1 23 THR H 1 23 THR MG 3.620 3.080 4.460 3.873 3.873 3.873 . 0 0 "[ ]" 1
740 2 23 THR H 2 23 THR MG 3.620 3.080 4.460 3.874 3.874 3.874 . 0 0 "[ ]" 1
741 1 23 THR H 1 44 VAL MG2 3.950 3.360 4.970 4.844 4.844 4.844 . 0 0 "[ ]" 1
742 2 23 THR H 2 44 VAL MG2 3.950 3.360 4.970 4.845 4.845 4.845 . 0 0 "[ ]" 1
743 1 23 THR HA 1 23 THR HB 2.730 2.320 3.170 2.998 2.998 2.998 . 0 0 "[ ]" 1
744 2 23 THR HA 2 23 THR HB 2.730 2.320 3.170 2.999 2.999 2.999 . 0 0 "[ ]" 1
745 1 23 THR HA 1 23 THR MG 2.520 2.140 2.900 2.373 2.373 2.373 . 0 0 "[ ]" 1
746 2 23 THR HA 2 23 THR MG 2.520 2.140 2.900 2.373 2.373 2.373 . 0 0 "[ ]" 1
747 1 23 THR HA 1 24 PHE H 2.230 . 2.560 2.184 2.184 2.184 . 0 0 "[ ]" 1
748 2 23 THR HA 2 24 PHE H 2.230 . 2.560 2.184 2.184 2.184 . 0 0 "[ ]" 1
749 1 23 THR HB 1 23 THR MG 2.260 . 2.600 2.120 2.120 2.120 . 0 0 "[ ]" 1
750 2 23 THR HB 2 23 THR MG 2.260 . 2.600 2.120 2.120 2.120 . 0 0 "[ ]" 1
751 1 23 THR HB 1 24 PHE H 3.370 2.860 4.080 4.316 4.316 4.316 0.236 1 0 "[ ]" 1
752 2 23 THR HB 2 24 PHE H 3.370 2.860 4.080 4.316 4.316 4.316 0.236 1 0 "[ ]" 1
753 1 23 THR HB 1 44 VAL H 3.630 3.090 4.470 4.195 4.195 4.195 . 0 0 "[ ]" 1
754 2 23 THR HB 2 44 VAL H 3.630 3.090 4.470 4.194 4.194 4.194 . 0 0 "[ ]" 1
755 1 23 THR HB 1 44 VAL MG2 2.510 2.130 2.890 2.899 2.899 2.899 0.009 1 0 "[ ]" 1
756 2 23 THR HB 2 44 VAL MG2 2.510 2.130 2.890 2.899 2.899 2.899 0.009 1 0 "[ ]" 1
757 1 23 THR MG 1 24 PHE H 2.850 2.420 3.330 3.256 3.256 3.256 . 0 0 "[ ]" 1
758 2 23 THR MG 2 24 PHE H 2.850 2.420 3.330 3.257 3.257 3.257 . 0 0 "[ ]" 1
759 1 23 THR MG 1 24 PHE HA 3.620 3.080 4.460 4.013 4.013 4.013 . 0 0 "[ ]" 1
760 2 23 THR MG 2 24 PHE HA 3.620 3.080 4.460 4.013 4.013 4.013 . 0 0 "[ ]" 1
761 1 23 THR MG 1 44 VAL H 4.010 3.410 5.060 4.146 4.146 4.146 . 0 0 "[ ]" 1
762 2 23 THR MG 2 44 VAL H 4.010 3.410 5.060 4.146 4.146 4.146 . 0 0 "[ ]" 1
763 1 24 PHE H 1 24 PHE HA 2.960 2.520 3.490 2.937 2.937 2.937 . 0 0 "[ ]" 1
764 2 24 PHE H 2 24 PHE HA 2.960 2.520 3.490 2.937 2.937 2.937 . 0 0 "[ ]" 1
765 1 24 PHE H 1 24 PHE QB 2.600 2.210 2.990 2.308 2.308 2.308 . 0 0 "[ ]" 1
766 2 24 PHE H 2 24 PHE QB 2.600 2.210 2.990 2.308 2.308 2.308 . 0 0 "[ ]" 1
767 1 24 PHE H 1 24 PHE QD 3.370 2.860 4.080 3.355 3.355 3.355 . 0 0 "[ ]" 1
768 2 24 PHE H 2 24 PHE QD 3.370 2.860 4.080 3.355 3.355 3.355 . 0 0 "[ ]" 1
769 1 24 PHE HA 1 24 PHE QB 2.150 . 2.470 2.453 2.453 2.453 . 0 0 "[ ]" 1
770 2 24 PHE HA 2 24 PHE QB 2.150 . 2.470 2.452 2.452 2.452 . 0 0 "[ ]" 1
771 1 24 PHE HA 1 24 PHE QD 2.810 2.390 3.280 2.356 2.356 2.356 0.034 1 0 "[ ]" 1
772 2 24 PHE HA 2 24 PHE QD 2.810 2.390 3.280 2.355 2.355 2.355 0.035 1 0 "[ ]" 1
773 1 24 PHE HA 1 25 GLN H 2.260 . 2.600 2.155 2.155 2.155 . 0 0 "[ ]" 1
774 2 24 PHE HA 2 25 GLN H 2.260 . 2.600 2.154 2.154 2.154 . 0 0 "[ ]" 1
775 1 24 PHE HA 1 43 PHE HA 2.360 2.010 2.710 2.654 2.654 2.654 . 0 0 "[ ]" 1
776 2 24 PHE HA 2 43 PHE HA 2.360 2.010 2.710 2.653 2.653 2.653 . 0 0 "[ ]" 1
777 1 24 PHE HA 1 44 VAL H 3.060 2.600 3.630 3.253 3.253 3.253 . 0 0 "[ ]" 1
778 2 24 PHE HA 2 44 VAL H 3.060 2.600 3.630 3.253 3.253 3.253 . 0 0 "[ ]" 1
779 1 24 PHE HA 1 44 VAL MG2 3.130 2.660 3.730 3.705 3.705 3.705 . 0 0 "[ ]" 1
780 2 24 PHE HA 2 44 VAL MG2 3.130 2.660 3.730 3.705 3.705 3.705 . 0 0 "[ ]" 1
781 1 24 PHE QB 1 24 PHE QD 2.470 2.100 2.840 2.146 2.146 2.146 . 0 0 "[ ]" 1
782 2 24 PHE QB 2 24 PHE QD 2.470 2.100 2.840 2.145 2.145 2.145 . 0 0 "[ ]" 1
783 1 24 PHE QB 1 25 GLN H 2.760 2.350 3.210 3.252 3.252 3.252 0.042 1 0 "[ ]" 1
784 2 24 PHE QB 2 25 GLN H 2.760 2.350 3.210 3.251 3.251 3.251 0.041 1 0 "[ ]" 1
785 1 24 PHE QB 1 41 GLN QB 2.240 . 2.580 2.646 2.646 2.646 0.066 1 0 "[ ]" 1
786 2 24 PHE QB 2 41 GLN QB 2.240 . 2.580 2.646 2.646 2.646 0.066 1 0 "[ ]" 1
787 1 25 GLN H 1 25 GLN HA 3.140 2.670 3.750 2.956 2.956 2.956 . 0 0 "[ ]" 1
788 2 25 GLN H 2 25 GLN HA 3.140 2.670 3.750 2.955 2.955 2.955 . 0 0 "[ ]" 1
789 1 25 GLN H 1 25 GLN QB 2.490 2.120 2.860 2.444 2.444 2.444 . 0 0 "[ ]" 1
790 2 25 GLN H 2 25 GLN QB 2.490 2.120 2.860 2.445 2.445 2.445 . 0 0 "[ ]" 1
791 1 25 GLN H 1 42 PHE H 2.870 2.440 3.360 2.682 2.682 2.682 . 0 0 "[ ]" 1
792 2 25 GLN H 2 42 PHE H 2.870 2.440 3.360 2.682 2.682 2.682 . 0 0 "[ ]" 1
793 1 25 GLN H 1 43 PHE HA 3.210 2.730 3.850 3.855 3.855 3.855 0.005 1 0 "[ ]" 1
794 2 25 GLN H 2 43 PHE HA 3.210 2.730 3.850 3.855 3.855 3.855 0.005 1 0 "[ ]" 1
795 1 25 GLN H 1 44 VAL MG2 3.000 2.550 3.550 3.068 3.068 3.068 . 0 0 "[ ]" 1
796 2 25 GLN H 2 44 VAL MG2 3.000 2.550 3.550 3.069 3.069 3.069 . 0 0 "[ ]" 1
797 1 25 GLN HA 1 25 GLN HG3 2.490 2.120 2.860 2.398 2.398 2.398 . 0 0 "[ ]" 1
798 2 25 GLN HA 2 25 GLN HG3 2.490 2.120 2.860 2.398 2.398 2.398 . 0 0 "[ ]" 1
799 1 25 GLN HA 1 25 GLN HG2 2.750 2.340 3.200 3.228 3.228 3.228 0.028 1 0 "[ ]" 1
800 2 25 GLN HA 2 25 GLN HG2 2.750 2.340 3.200 3.228 3.228 3.228 0.028 1 0 "[ ]" 1
801 1 25 GLN QB 1 25 GLN HG2 2.560 2.180 2.940 2.284 2.284 2.284 . 0 0 "[ ]" 1
802 2 25 GLN QB 2 25 GLN HG2 2.560 2.180 2.940 2.284 2.284 2.284 . 0 0 "[ ]" 1
803 1 25 GLN QB 1 44 VAL MG2 2.390 2.030 2.750 2.218 2.218 2.218 . 0 0 "[ ]" 1
804 2 25 GLN QB 2 44 VAL MG2 2.390 2.030 2.750 2.218 2.218 2.218 . 0 0 "[ ]" 1
805 1 25 GLN HE21 1 25 GLN HG3 2.700 2.290 3.130 2.601 2.601 2.601 . 0 0 "[ ]" 1
806 2 25 GLN HE21 2 25 GLN HG3 2.700 2.290 3.130 2.600 2.600 2.600 . 0 0 "[ ]" 1
807 1 25 GLN HE22 1 25 GLN HG3 3.070 2.610 3.650 3.646 3.646 3.646 . 0 0 "[ ]" 1
808 2 25 GLN HE22 2 25 GLN HG3 3.070 2.610 3.650 3.646 3.646 3.646 . 0 0 "[ ]" 1
809 1 25 GLN HE21 1 25 GLN HG2 2.530 2.150 2.910 2.530 2.530 2.530 . 0 0 "[ ]" 1
810 2 25 GLN HE21 2 25 GLN HG2 2.530 2.150 2.910 2.530 2.530 2.530 . 0 0 "[ ]" 1
811 1 25 GLN HE22 1 25 GLN HG2 3.340 2.840 4.040 3.613 3.613 3.613 . 0 0 "[ ]" 1
812 2 25 GLN HE22 2 25 GLN HG2 3.340 2.840 4.040 3.613 3.613 3.613 . 0 0 "[ ]" 1
813 1 25 GLN HG2 1 26 GLU H 3.060 2.600 3.630 2.778 2.778 2.778 . 0 0 "[ ]" 1
814 2 25 GLN HG2 2 26 GLU H 3.060 2.600 3.630 2.778 2.778 2.778 . 0 0 "[ ]" 1
815 1 25 GLN HE21 1 48 ILE HB 3.030 2.580 3.590 3.614 3.614 3.614 0.024 1 0 "[ ]" 1
816 2 25 GLN HE21 2 48 ILE HB 3.030 2.580 3.590 3.615 3.615 3.615 0.025 1 0 "[ ]" 1
817 1 25 GLN HE22 1 48 ILE H 2.720 2.310 3.150 2.299 2.299 2.299 0.011 1 0 "[ ]" 1
818 2 25 GLN HE22 2 48 ILE H 2.720 2.310 3.150 2.299 2.299 2.299 0.011 1 0 "[ ]" 1
819 1 25 GLN HE22 1 48 ILE HB 2.430 2.070 2.790 2.412 2.412 2.412 . 0 0 "[ ]" 1
820 2 25 GLN HE22 2 48 ILE HB 2.430 2.070 2.790 2.412 2.412 2.412 . 0 0 "[ ]" 1
821 1 26 GLU H 1 26 GLU HA 2.710 2.300 3.140 2.893 2.893 2.893 . 0 0 "[ ]" 1
822 2 26 GLU H 2 26 GLU HA 2.710 2.300 3.140 2.894 2.894 2.894 . 0 0 "[ ]" 1
823 1 26 GLU HA 1 26 GLU HB2 2.310 . 2.660 2.433 2.433 2.433 . 0 0 "[ ]" 1
824 2 26 GLU HA 2 26 GLU HB2 2.310 . 2.660 2.433 2.433 2.433 . 0 0 "[ ]" 1
825 1 26 GLU HA 1 27 GLY H 2.180 . 2.510 2.255 2.255 2.255 . 0 0 "[ ]" 1
826 2 26 GLU HA 2 27 GLY H 2.180 . 2.510 2.254 2.254 2.254 . 0 0 "[ ]" 1
827 1 26 GLU HB2 1 27 GLY H 3.050 2.590 3.620 3.792 3.792 3.792 0.172 1 0 "[ ]" 1
828 2 26 GLU HB2 2 27 GLY H 3.050 2.590 3.620 3.792 3.792 3.792 0.172 1 0 "[ ]" 1
829 1 26 GLU HB3 1 27 GLY H 3.390 2.880 4.110 3.717 3.717 3.717 . 0 0 "[ ]" 1
830 2 26 GLU HB3 2 27 GLY H 3.390 2.880 4.110 3.716 3.716 3.716 . 0 0 "[ ]" 1
831 1 27 GLY H 1 27 GLY HA3 2.820 2.400 3.290 2.792 2.792 2.792 . 0 0 "[ ]" 1
832 2 27 GLY H 2 27 GLY HA3 2.820 2.400 3.290 2.792 2.792 2.792 . 0 0 "[ ]" 1
833 1 27 GLY H 1 27 GLY HA2 3.060 2.600 3.630 2.847 2.847 2.847 . 0 0 "[ ]" 1
834 2 27 GLY H 2 27 GLY HA2 3.060 2.600 3.630 2.846 2.846 2.846 . 0 0 "[ ]" 1
835 1 27 GLY H 1 41 GLN QG 3.140 2.670 3.750 3.866 3.866 3.866 0.116 1 0 "[ ]" 1
836 2 27 GLY H 2 41 GLN QG 3.140 2.670 3.750 3.865 3.865 3.865 0.115 1 0 "[ ]" 1
837 1 27 GLY H 1 42 PHE QD 3.230 2.750 3.880 3.895 3.895 3.895 0.015 1 0 "[ ]" 1
838 2 27 GLY H 2 42 PHE QD 3.230 2.750 3.880 3.896 3.896 3.896 0.016 1 0 "[ ]" 1
839 1 27 GLY H 1 42 PHE QE 3.160 2.690 3.780 3.476 3.476 3.476 . 0 0 "[ ]" 1
840 2 27 GLY H 2 42 PHE QE 3.160 2.690 3.780 3.476 3.476 3.476 . 0 0 "[ ]" 1
841 1 27 GLY HA3 1 28 PHE H 2.710 2.300 3.140 2.989 2.989 2.989 . 0 0 "[ ]" 1
842 2 27 GLY HA3 2 28 PHE H 2.710 2.300 3.140 2.989 2.989 2.989 . 0 0 "[ ]" 1
843 1 27 GLY HA3 1 42 PHE QE 2.520 2.140 2.900 2.410 2.410 2.410 . 0 0 "[ ]" 1
844 2 27 GLY HA3 2 42 PHE QE 2.520 2.140 2.900 2.410 2.410 2.410 . 0 0 "[ ]" 1
845 1 27 GLY HA2 1 28 PHE H 2.470 2.100 2.840 2.229 2.229 2.229 . 0 0 "[ ]" 1
846 2 27 GLY HA2 2 28 PHE H 2.470 2.100 2.840 2.229 2.229 2.229 . 0 0 "[ ]" 1
847 1 28 PHE H 1 28 PHE HA 2.820 2.400 3.290 2.933 2.933 2.933 . 0 0 "[ ]" 1
848 2 28 PHE H 2 28 PHE HA 2.820 2.400 3.290 2.933 2.933 2.933 . 0 0 "[ ]" 1
849 1 28 PHE H 1 28 PHE HB3 3.150 2.680 3.760 3.535 3.535 3.535 . 0 0 "[ ]" 1
850 2 28 PHE H 2 28 PHE HB3 3.150 2.680 3.760 3.534 3.534 3.534 . 0 0 "[ ]" 1
851 1 28 PHE H 1 28 PHE HB2 2.670 2.270 3.090 2.267 2.267 2.267 0.003 1 0 "[ ]" 1
852 2 28 PHE H 2 28 PHE HB2 2.670 2.270 3.090 2.267 2.267 2.267 0.003 1 0 "[ ]" 1
853 1 28 PHE H 1 28 PHE QD 3.100 2.640 3.690 3.034 3.034 3.034 . 0 0 "[ ]" 1
854 2 28 PHE H 2 28 PHE QD 3.100 2.640 3.690 3.034 3.034 3.034 . 0 0 "[ ]" 1
855 1 28 PHE HA 1 28 PHE HB3 2.460 2.090 2.830 2.625 2.625 2.625 . 0 0 "[ ]" 1
856 2 28 PHE HA 2 28 PHE HB3 2.460 2.090 2.830 2.625 2.625 2.625 . 0 0 "[ ]" 1
857 1 28 PHE HA 1 28 PHE HB2 2.670 2.270 3.090 2.985 2.985 2.985 . 0 0 "[ ]" 1
858 2 28 PHE HA 2 28 PHE HB2 2.670 2.270 3.090 2.985 2.985 2.985 . 0 0 "[ ]" 1
859 1 28 PHE HA 1 28 PHE QD 2.690 2.290 3.110 2.749 2.749 2.749 . 0 0 "[ ]" 1
860 2 28 PHE HA 2 28 PHE QD 2.690 2.290 3.110 2.749 2.749 2.749 . 0 0 "[ ]" 1
861 1 28 PHE HA 1 29 LEU H 2.210 . 2.540 2.164 2.164 2.164 . 0 0 "[ ]" 1
862 2 28 PHE HA 2 29 LEU H 2.210 . 2.540 2.165 2.165 2.165 . 0 0 "[ ]" 1
863 1 28 PHE HA 1 39 GLN HA 2.330 . 2.680 2.516 2.516 2.516 . 0 0 "[ ]" 1
864 2 28 PHE HA 2 39 GLN HA 2.330 . 2.680 2.516 2.516 2.516 . 0 0 "[ ]" 1
865 1 28 PHE HA 1 40 CYS H 3.160 2.690 3.780 2.907 2.907 2.907 . 0 0 "[ ]" 1
866 2 28 PHE HA 2 40 CYS H 3.160 2.690 3.780 2.905 2.905 2.905 . 0 0 "[ ]" 1
867 1 28 PHE HB3 1 28 PHE QD 2.650 2.250 3.060 2.468 2.468 2.468 . 0 0 "[ ]" 1
868 2 28 PHE HB3 2 28 PHE QD 2.650 2.250 3.060 2.468 2.468 2.468 . 0 0 "[ ]" 1
869 1 28 PHE HB3 1 29 LEU H 3.610 3.070 4.440 3.118 3.118 3.118 . 0 0 "[ ]" 1
870 2 28 PHE HB3 2 29 LEU H 3.610 3.070 4.440 3.119 3.119 3.119 . 0 0 "[ ]" 1
871 1 28 PHE HB3 1 37 PRO HB3 2.980 2.530 3.520 3.412 3.412 3.412 . 0 0 "[ ]" 1
872 2 28 PHE HB3 2 37 PRO HB3 2.980 2.530 3.520 3.413 3.413 3.413 . 0 0 "[ ]" 1
873 1 28 PHE HB3 1 37 PRO HB2 2.510 2.130 2.890 2.244 2.244 2.244 . 0 0 "[ ]" 1
874 2 28 PHE HB3 2 37 PRO HB2 2.510 2.130 2.890 2.245 2.245 2.245 . 0 0 "[ ]" 1
875 1 28 PHE HB2 1 28 PHE QD 2.590 2.200 2.980 2.331 2.331 2.331 . 0 0 "[ ]" 1
876 2 28 PHE HB2 2 28 PHE QD 2.590 2.200 2.980 2.331 2.331 2.331 . 0 0 "[ ]" 1
877 1 28 PHE QD 1 37 PRO HB2 3.040 2.580 3.600 2.515 2.515 2.515 0.065 1 0 "[ ]" 1
878 2 28 PHE QD 2 37 PRO HB2 3.040 2.580 3.600 2.515 2.515 2.515 0.065 1 0 "[ ]" 1
879 1 28 PHE QD 1 37 PRO HG2 3.260 2.770 3.920 3.357 3.357 3.357 . 0 0 "[ ]" 1
880 2 28 PHE QD 2 37 PRO HG2 3.260 2.770 3.920 3.357 3.357 3.357 . 0 0 "[ ]" 1
881 1 28 PHE QD 1 39 GLN HA 3.070 2.610 3.640 3.040 3.040 3.040 . 0 0 "[ ]" 1
882 2 28 PHE QD 2 39 GLN HA 3.070 2.610 3.640 3.040 3.040 3.040 . 0 0 "[ ]" 1
883 1 28 PHE QE 1 39 GLN HB3 3.030 2.580 3.590 3.822 3.822 3.822 0.232 1 0 "[ ]" 1
884 2 28 PHE QE 2 39 GLN HB3 3.030 2.580 3.590 3.821 3.821 3.821 0.231 1 0 "[ ]" 1
885 1 28 PHE QE 1 39 GLN HB2 3.150 2.680 3.760 2.504 2.504 2.504 0.176 1 0 "[ ]" 1
886 2 28 PHE QE 2 39 GLN HB2 3.150 2.680 3.760 2.503 2.503 2.503 0.177 1 0 "[ ]" 1
887 1 29 LEU H 1 29 LEU HA 3.110 2.640 3.700 2.946 2.946 2.946 . 0 0 "[ ]" 1
888 2 29 LEU H 2 29 LEU HA 3.110 2.640 3.700 2.947 2.947 2.947 . 0 0 "[ ]" 1
889 1 29 LEU H 1 29 LEU QB 2.280 . 2.920 2.222 2.222 2.222 . 0 0 "[ ]" 1
890 2 29 LEU H 2 29 LEU QB 2.280 . 2.920 2.222 2.222 2.222 . 0 0 "[ ]" 1
891 1 29 LEU H 1 38 LEU H 3.070 2.610 3.640 2.769 2.769 2.769 . 0 0 "[ ]" 1
892 2 29 LEU H 2 38 LEU H 3.070 2.610 3.640 2.770 2.770 2.770 . 0 0 "[ ]" 1
893 1 29 LEU H 1 39 GLN HA 3.580 3.040 4.400 3.813 3.813 3.813 . 0 0 "[ ]" 1
894 2 29 LEU H 2 39 GLN HA 3.580 3.040 4.400 3.813 3.813 3.813 . 0 0 "[ ]" 1
895 1 29 LEU HA 1 29 LEU QB 2.140 . 2.460 2.514 2.514 2.514 0.054 1 0 "[ ]" 1
896 2 29 LEU HA 2 29 LEU QB 2.140 . 2.460 2.513 2.513 2.513 0.053 1 0 "[ ]" 1
897 1 29 LEU HA 1 29 LEU MD1 3.230 2.750 3.880 2.703 2.703 2.703 0.047 1 0 "[ ]" 1
898 2 29 LEU HA 2 29 LEU MD1 3.230 2.750 3.880 2.703 2.703 2.703 0.047 1 0 "[ ]" 1
899 1 29 LEU HA 1 29 LEU MD2 3.120 2.650 3.720 3.615 3.615 3.615 . 0 0 "[ ]" 1
900 2 29 LEU HA 2 29 LEU MD2 3.120 2.650 3.720 3.615 3.615 3.615 . 0 0 "[ ]" 1
901 1 29 LEU HA 1 29 LEU QD 2.280 . 2.620 2.632 2.632 2.632 0.012 1 0 "[ ]" 1
902 2 29 LEU HA 2 29 LEU QD 2.280 . 2.620 2.631 2.631 2.631 0.011 1 0 "[ ]" 1
903 1 29 LEU HA 1 30 HIS H 2.250 . 2.590 2.216 2.216 2.216 . 0 0 "[ ]" 1
904 2 29 LEU HA 2 30 HIS H 2.250 . 2.590 2.215 2.215 2.215 . 0 0 "[ ]" 1
905 1 29 LEU HA 1 30 HIS HD2 3.060 2.600 3.630 3.409 3.409 3.409 . 0 0 "[ ]" 1
906 2 29 LEU HA 2 30 HIS HD2 3.060 2.600 3.630 3.409 3.409 3.409 . 0 0 "[ ]" 1
907 1 29 LEU QB 1 30 HIS H 2.860 2.430 3.350 3.353 3.353 3.353 0.003 1 0 "[ ]" 1
908 2 29 LEU QB 2 30 HIS H 2.860 2.430 3.350 3.352 3.352 3.352 0.002 1 0 "[ ]" 1
909 1 29 LEU MD1 1 29 LEU HG 2.240 . 2.580 2.111 2.111 2.111 . 0 0 "[ ]" 1
910 2 29 LEU MD1 2 29 LEU HG 2.240 . 2.580 2.111 2.111 2.111 . 0 0 "[ ]" 1
911 1 29 LEU MD2 1 29 LEU HG 2.250 . 2.590 2.131 2.131 2.131 . 0 0 "[ ]" 1
912 2 29 LEU MD2 2 29 LEU HG 2.250 . 2.590 2.131 2.131 2.131 . 0 0 "[ ]" 1
913 1 30 HIS H 1 30 HIS HA 2.950 2.510 3.480 2.949 2.949 2.949 . 0 0 "[ ]" 1
914 2 30 HIS H 2 30 HIS HA 2.950 2.510 3.480 2.949 2.949 2.949 . 0 0 "[ ]" 1
915 1 30 HIS H 1 30 HIS HB3 3.010 2.560 3.560 3.670 3.670 3.670 0.110 1 0 "[ ]" 1
916 2 30 HIS H 2 30 HIS HB3 3.010 2.560 3.560 3.670 3.670 3.670 0.110 1 0 "[ ]" 1
917 1 30 HIS H 1 30 HIS HB2 2.590 2.200 2.980 2.472 2.472 2.472 . 0 0 "[ ]" 1
918 2 30 HIS H 2 30 HIS HB2 2.590 2.200 2.980 2.472 2.472 2.472 . 0 0 "[ ]" 1
919 1 30 HIS H 1 30 HIS HD2 2.930 2.490 3.450 3.078 3.078 3.078 . 0 0 "[ ]" 1
920 2 30 HIS H 2 30 HIS HD2 2.930 2.490 3.450 3.077 3.077 3.077 . 0 0 "[ ]" 1
921 1 30 HIS HA 1 30 HIS HB3 2.270 . 2.610 2.505 2.505 2.505 . 0 0 "[ ]" 1
922 2 30 HIS HA 2 30 HIS HB3 2.270 . 2.610 2.505 2.505 2.505 . 0 0 "[ ]" 1
923 1 30 HIS HA 1 30 HIS HB2 2.550 2.170 2.930 3.004 3.004 3.004 0.074 1 0 "[ ]" 1
924 2 30 HIS HA 2 30 HIS HB2 2.550 2.170 2.930 3.004 3.004 3.004 0.074 1 0 "[ ]" 1
925 1 30 HIS HA 1 31 LEU H 2.130 . 2.450 2.154 2.154 2.154 . 0 0 "[ ]" 1
926 2 30 HIS HA 2 31 LEU H 2.130 . 2.450 2.154 2.154 2.154 . 0 0 "[ ]" 1
927 1 30 HIS HB3 1 30 HIS HD2 3.490 2.970 4.260 3.949 3.949 3.949 . 0 0 "[ ]" 1
928 2 30 HIS HB3 2 30 HIS HD2 3.490 2.970 4.260 3.949 3.949 3.949 . 0 0 "[ ]" 1
929 1 30 HIS HB3 1 31 LEU H 3.650 3.100 4.500 3.533 3.533 3.533 . 0 0 "[ ]" 1
930 2 30 HIS HB3 2 31 LEU H 3.650 3.100 4.500 3.532 3.532 3.532 . 0 0 "[ ]" 1
931 1 30 HIS HB2 1 30 HIS HD2 2.850 2.420 3.330 2.903 2.903 2.903 . 0 0 "[ ]" 1
932 2 30 HIS HB2 2 30 HIS HD2 2.850 2.420 3.330 2.903 2.903 2.903 . 0 0 "[ ]" 1
933 1 31 LEU HA 1 31 LEU HB2 2.520 2.140 2.900 2.905 2.905 2.905 0.005 1 0 "[ ]" 1
934 2 31 LEU HA 2 31 LEU HB2 2.520 2.140 2.900 2.905 2.905 2.905 0.005 1 0 "[ ]" 1
935 1 31 LEU HA 1 31 LEU HB3 2.340 . 2.690 2.753 2.753 2.753 0.063 1 0 "[ ]" 1
936 2 31 LEU HA 2 31 LEU HB3 2.340 . 2.690 2.754 2.754 2.754 0.064 1 0 "[ ]" 1
937 1 31 LEU HA 1 31 LEU MD1 2.320 . 2.670 2.488 2.488 2.488 . 0 0 "[ ]" 1
938 2 31 LEU HA 2 31 LEU QD 2.320 . 2.670 2.449 2.449 2.449 . 0 0 "[ ]" 1
939 1 31 LEU HB2 1 31 LEU MD1 2.460 2.090 2.830 2.235 2.235 2.235 . 0 0 "[ ]" 1
940 2 31 LEU HB2 2 31 LEU QD 2.460 2.090 2.510 2.098 2.098 2.098 . 0 0 "[ ]" 1
941 1 31 LEU HB2 1 31 LEU QD 2.180 . 2.510 2.098 2.098 2.098 . 0 0 "[ ]" 1
942 1 31 LEU HB2 1 33 ASP H 3.550 3.020 4.350 4.147 4.147 4.147 . 0 0 "[ ]" 1
943 2 31 LEU HB2 2 33 ASP H 3.550 3.020 4.350 4.146 4.146 4.146 . 0 0 "[ ]" 1
944 1 31 LEU HB3 1 31 LEU QD 2.090 . 2.400 2.146 2.146 2.146 . 0 0 "[ ]" 1
945 2 31 LEU HB3 2 31 LEU QD 2.090 . 2.400 2.145 2.145 2.145 . 0 0 "[ ]" 1
946 1 31 LEU HB3 1 33 ASP H 2.980 2.530 3.520 2.479 2.479 2.479 0.051 1 0 "[ ]" 1
947 2 31 LEU HB3 2 33 ASP H 2.980 2.530 3.520 2.479 2.479 2.479 0.051 1 0 "[ ]" 1
948 1 31 LEU MD2 1 34 LYS QG 2.840 2.410 3.320 2.518 2.518 2.518 . 0 0 "[ ]" 1
949 2 31 LEU QD 2 34 LYS QG 2.840 2.410 3.320 2.480 2.480 2.480 . 0 0 "[ ]" 1
950 1 31 LEU MD2 1 34 LYS HE2 3.290 2.800 3.970 2.740 2.740 2.740 0.060 1 0 "[ ]" 1
951 2 31 LEU QD 2 34 LYS HE2 3.290 2.800 3.970 2.728 2.728 2.728 0.072 1 0 "[ ]" 1
952 1 31 LEU MD2 1 34 LYS HE3 3.300 2.800 3.980 3.877 3.877 3.877 . 0 0 "[ ]" 1
953 2 31 LEU QD 2 34 LYS HE3 3.300 2.800 3.980 3.804 3.804 3.804 . 0 0 "[ ]" 1
954 1 31 LEU QD 1 32 GLU H 3.410 2.900 4.140 3.755 3.755 3.755 . 0 0 "[ ]" 1
955 2 31 LEU QD 2 32 GLU H 3.410 2.900 4.140 3.755 3.755 3.755 . 0 0 "[ ]" 1
956 1 31 LEU QD 1 34 LYS H 3.810 3.240 4.750 4.332 4.332 4.332 . 0 0 "[ ]" 1
957 2 31 LEU QD 2 34 LYS H 3.810 3.240 4.750 4.332 4.332 4.332 . 0 0 "[ ]" 1
958 1 32 GLU H 1 32 GLU QB 2.500 2.120 2.880 2.442 2.442 2.442 . 0 0 "[ ]" 1
959 2 32 GLU H 2 32 GLU QB 2.500 2.120 2.880 2.442 2.442 2.442 . 0 0 "[ ]" 1
960 1 32 GLU H 1 32 GLU QG 3.230 2.750 3.880 2.597 2.597 2.597 0.153 1 0 "[ ]" 1
961 2 32 GLU H 2 32 GLU QG 3.230 2.750 3.880 2.597 2.597 2.597 0.153 1 0 "[ ]" 1
962 1 32 GLU H 1 33 ASP H 2.950 2.510 3.470 2.616 2.616 2.616 . 0 0 "[ ]" 1
963 2 32 GLU H 2 33 ASP H 2.950 2.510 3.470 2.616 2.616 2.616 . 0 0 "[ ]" 1
964 1 32 GLU H 1 34 LYS H 3.950 3.360 4.970 4.172 4.172 4.172 . 0 0 "[ ]" 1
965 2 32 GLU H 2 34 LYS H 3.950 3.360 4.970 4.173 4.173 4.173 . 0 0 "[ ]" 1
966 1 32 GLU HA 1 32 GLU QB 2.190 . 2.520 2.381 2.381 2.381 . 0 0 "[ ]" 1
967 2 32 GLU HA 2 32 GLU QB 2.190 . 2.520 2.382 2.382 2.382 . 0 0 "[ ]" 1
968 1 32 GLU HA 1 32 GLU QG 3.040 2.580 3.600 2.411 2.411 2.411 0.169 1 0 "[ ]" 1
969 2 32 GLU HA 2 32 GLU QG 3.040 2.580 3.600 2.412 2.412 2.412 0.168 1 0 "[ ]" 1
970 1 32 GLU HA 1 33 ASP H 2.720 2.310 3.150 3.410 3.410 3.410 0.260 1 0 "[ ]" 1
971 2 32 GLU HA 2 33 ASP H 2.720 2.310 3.150 3.410 3.410 3.410 0.260 1 0 "[ ]" 1
972 1 32 GLU HA 1 34 LYS H 3.710 3.150 4.600 3.703 3.703 3.703 . 0 0 "[ ]" 1
973 2 32 GLU HA 2 34 LYS H 3.710 3.150 4.600 3.704 3.704 3.704 . 0 0 "[ ]" 1
974 1 32 GLU QB 1 33 ASP H 3.060 2.600 3.630 2.900 2.900 2.900 . 0 0 "[ ]" 1
975 2 32 GLU QB 2 33 ASP H 3.060 2.600 3.630 2.900 2.900 2.900 . 0 0 "[ ]" 1
976 1 32 GLU QG 1 33 ASP H 3.770 3.200 4.690 4.400 4.400 4.400 . 0 0 "[ ]" 1
977 2 32 GLU QG 2 33 ASP H 3.770 3.200 4.690 4.401 4.401 4.401 . 0 0 "[ ]" 1
978 1 33 ASP H 1 33 ASP HA 2.780 2.360 3.240 2.931 2.931 2.931 . 0 0 "[ ]" 1
979 2 33 ASP H 2 33 ASP HA 2.780 2.360 3.240 2.931 2.931 2.931 . 0 0 "[ ]" 1
980 1 33 ASP H 1 33 ASP HB3 2.960 2.520 3.490 2.756 2.756 2.756 . 0 0 "[ ]" 1
981 2 33 ASP H 2 33 ASP HB3 2.960 2.520 3.490 2.756 2.756 2.756 . 0 0 "[ ]" 1
982 1 33 ASP H 1 33 ASP HB2 3.320 2.820 4.010 3.683 3.683 3.683 . 0 0 "[ ]" 1
983 2 33 ASP H 2 33 ASP HB2 3.320 2.820 4.010 3.684 3.684 3.684 . 0 0 "[ ]" 1
984 1 33 ASP H 1 34 LYS H 2.640 2.240 3.040 2.537 2.537 2.537 . 0 0 "[ ]" 1
985 2 33 ASP H 2 34 LYS H 2.640 2.240 3.040 2.536 2.536 2.536 . 0 0 "[ ]" 1
986 1 33 ASP H 1 34 LYS QG 3.930 3.340 4.940 3.502 3.502 3.502 . 0 0 "[ ]" 1
987 2 33 ASP H 2 34 LYS QG 3.930 3.340 4.940 3.501 3.501 3.501 . 0 0 "[ ]" 1
988 1 33 ASP HA 1 33 ASP HB3 2.280 . 2.620 2.486 2.486 2.486 . 0 0 "[ ]" 1
989 2 33 ASP HA 2 33 ASP HB3 2.280 . 2.620 2.485 2.485 2.485 . 0 0 "[ ]" 1
990 1 33 ASP HA 1 33 ASP HB2 2.250 . 2.590 2.412 2.412 2.412 . 0 0 "[ ]" 1
991 2 33 ASP HA 2 33 ASP HB2 2.250 . 2.590 2.412 2.412 2.412 . 0 0 "[ ]" 1
992 1 33 ASP HA 1 34 LYS H 3.000 2.550 3.550 3.176 3.176 3.176 . 0 0 "[ ]" 1
993 2 33 ASP HA 2 34 LYS H 3.000 2.550 3.550 3.175 3.175 3.175 . 0 0 "[ ]" 1
994 1 33 ASP HB2 1 34 LYS H 3.840 3.260 4.800 4.453 4.453 4.453 . 0 0 "[ ]" 1
995 2 33 ASP HB2 2 34 LYS H 3.840 3.260 4.800 4.453 4.453 4.453 . 0 0 "[ ]" 1
996 1 34 LYS H 1 34 LYS HA 2.940 2.500 3.460 2.945 2.945 2.945 . 0 0 "[ ]" 1
997 2 34 LYS H 2 34 LYS HA 2.940 2.500 3.460 2.944 2.944 2.944 . 0 0 "[ ]" 1
998 1 34 LYS H 1 34 LYS HB2 2.600 2.210 2.990 2.739 2.739 2.739 . 0 0 "[ ]" 1
999 2 34 LYS H 2 34 LYS HB2 2.600 2.210 2.990 2.739 2.739 2.739 . 0 0 "[ ]" 1
1000 1 34 LYS H 1 34 LYS HB3 3.150 2.680 3.760 3.821 3.821 3.821 0.061 1 0 "[ ]" 1
1001 2 34 LYS H 2 34 LYS HB3 3.150 2.680 3.760 3.821 3.821 3.821 0.061 1 0 "[ ]" 1
1002 1 34 LYS H 1 34 LYS QG 3.040 2.580 3.600 2.810 2.810 2.810 . 0 0 "[ ]" 1
1003 2 34 LYS H 2 34 LYS QG 3.040 2.580 3.600 2.809 2.809 2.809 . 0 0 "[ ]" 1
1004 1 34 LYS HA 1 34 LYS HB2 2.820 2.400 3.290 3.021 3.021 3.021 . 0 0 "[ ]" 1
1005 2 34 LYS HA 2 34 LYS HB2 2.820 2.400 3.290 3.021 3.021 3.021 . 0 0 "[ ]" 1
1006 1 34 LYS HA 1 34 LYS HB3 2.430 2.070 2.790 2.422 2.422 2.422 . 0 0 "[ ]" 1
1007 2 34 LYS HA 2 34 LYS HB3 2.430 2.070 2.790 2.422 2.422 2.422 . 0 0 "[ ]" 1
1008 1 34 LYS HA 1 34 LYS QG 2.880 2.450 3.380 2.663 2.663 2.663 . 0 0 "[ ]" 1
1009 2 34 LYS HA 2 34 LYS QG 2.880 2.450 3.380 2.664 2.664 2.664 . 0 0 "[ ]" 1
1010 1 34 LYS HA 1 35 PRO HD3 2.240 . 2.580 2.208 2.208 2.208 . 0 0 "[ ]" 1
1011 2 34 LYS HA 2 35 PRO HD3 2.240 . 2.580 2.208 2.208 2.208 . 0 0 "[ ]" 1
1012 1 34 LYS HA 1 35 PRO HD2 2.240 . 2.580 2.295 2.295 2.295 . 0 0 "[ ]" 1
1013 2 34 LYS HA 2 35 PRO HD2 2.240 . 2.580 2.295 2.295 2.295 . 0 0 "[ ]" 1
1014 1 34 LYS HA 1 36 HIS H 4.020 3.420 5.080 3.996 3.996 3.996 . 0 0 "[ ]" 1
1015 2 34 LYS HA 2 36 HIS H 4.020 3.420 5.080 3.997 3.997 3.997 . 0 0 "[ ]" 1
1016 1 34 LYS HB3 1 35 PRO HD2 3.160 2.690 3.780 2.828 2.828 2.828 . 0 0 "[ ]" 1
1017 2 34 LYS HB3 2 35 PRO HD2 3.160 2.690 3.780 2.828 2.828 2.828 . 0 0 "[ ]" 1
1018 1 34 LYS HE2 1 34 LYS QG 2.580 2.190 2.970 2.166 2.166 2.166 0.024 1 0 "[ ]" 1
1019 2 34 LYS HE2 2 34 LYS QG 2.580 2.190 2.970 2.166 2.166 2.166 0.024 1 0 "[ ]" 1
1020 1 34 LYS HE3 1 34 LYS QG 2.640 2.240 3.040 3.017 3.017 3.017 . 0 0 "[ ]" 1
1021 2 34 LYS HE3 2 34 LYS QG 2.640 2.240 3.040 3.015 3.015 3.015 . 0 0 "[ ]" 1
1022 1 34 LYS HE2 1 38 LEU MD1 3.460 2.940 4.220 3.389 3.389 3.389 . 0 0 "[ ]" 1
1023 2 34 LYS HE2 2 38 LEU QD 3.460 2.940 4.220 3.340 3.340 3.340 . 0 0 "[ ]" 1
1024 1 34 LYS HE3 1 38 LEU MD2 3.530 3.000 4.320 3.759 3.759 3.759 . 0 0 "[ ]" 1
1025 2 34 LYS HE3 2 38 LEU QD 3.530 3.000 3.830 2.650 2.650 2.650 0.350 1 0 "[ ]" 1
1026 1 34 LYS HE3 1 38 LEU MD1 3.200 2.720 3.830 2.708 2.708 2.708 0.012 1 0 "[ ]" 1
1027 1 35 PRO HA 1 35 PRO HB2 2.590 2.200 2.980 2.709 2.709 2.709 . 0 0 "[ ]" 1
1028 2 35 PRO HA 2 35 PRO HB2 2.590 2.200 2.980 2.709 2.709 2.709 . 0 0 "[ ]" 1
1029 1 35 PRO HA 1 35 PRO HB3 2.280 . 2.620 2.276 2.276 2.276 . 0 0 "[ ]" 1
1030 2 35 PRO HA 2 35 PRO HB3 2.280 . 2.620 2.275 2.275 2.275 . 0 0 "[ ]" 1
1031 1 35 PRO HA 1 35 PRO HG3 3.190 2.710 4.320 3.979 3.979 3.979 . 0 0 "[ ]" 1
1032 2 35 PRO HA 2 35 PRO HG3 3.190 2.710 4.320 3.979 3.979 3.979 . 0 0 "[ ]" 1
1033 1 35 PRO HA 1 35 PRO HD3 3.390 2.880 4.610 3.695 3.695 3.695 . 0 0 "[ ]" 1
1034 2 35 PRO HA 2 35 PRO HD3 3.390 2.880 4.610 3.696 3.696 3.696 . 0 0 "[ ]" 1
1035 1 35 PRO HA 1 36 HIS H 3.270 2.780 3.940 3.533 3.533 3.533 . 0 0 "[ ]" 1
1036 2 35 PRO HA 2 36 HIS H 3.270 2.780 3.940 3.532 3.532 3.532 . 0 0 "[ ]" 1
1037 1 35 PRO HB2 1 36 HIS H 3.440 2.920 4.190 3.267 3.267 3.267 . 0 0 "[ ]" 1
1038 2 35 PRO HB2 2 36 HIS H 3.440 2.920 4.190 3.267 3.267 3.267 . 0 0 "[ ]" 1
1039 1 35 PRO HB2 1 36 HIS HD2 3.600 3.060 4.430 3.724 3.724 3.724 . 0 0 "[ ]" 1
1040 2 35 PRO HB2 2 36 HIS HD2 3.600 3.060 4.430 3.725 3.725 3.725 . 0 0 "[ ]" 1
1041 1 35 PRO HB3 1 35 PRO HG2 2.620 2.230 3.020 2.974 2.974 2.974 . 0 0 "[ ]" 1
1042 2 35 PRO HB3 2 35 PRO HG2 2.620 2.230 3.020 2.974 2.974 2.974 . 0 0 "[ ]" 1
1043 1 35 PRO HG2 1 36 HIS H 2.860 2.430 3.350 2.431 2.431 2.431 . 0 0 "[ ]" 1
1044 2 35 PRO HG2 2 36 HIS H 2.860 2.430 3.350 2.431 2.431 2.431 . 0 0 "[ ]" 1
1045 1 35 PRO HG2 1 36 HIS HD2 3.140 2.670 3.750 2.653 2.653 2.653 0.017 1 0 "[ ]" 1
1046 2 35 PRO HG2 2 36 HIS HD2 3.140 2.670 3.750 2.653 2.653 2.653 0.017 1 0 "[ ]" 1
1047 1 35 PRO HD2 1 36 HIS H 2.890 2.460 3.390 2.457 2.457 2.457 0.003 1 0 "[ ]" 1
1048 2 35 PRO HD2 2 36 HIS H 2.890 2.460 3.390 2.458 2.458 2.458 0.002 1 0 "[ ]" 1
1049 1 36 HIS H 1 36 HIS HA 2.900 2.460 3.400 2.957 2.957 2.957 . 0 0 "[ ]" 1
1050 2 36 HIS H 2 36 HIS HA 2.900 2.460 3.400 2.956 2.956 2.956 . 0 0 "[ ]" 1
1051 1 36 HIS H 1 36 HIS HB2 2.880 2.450 3.380 2.539 2.539 2.539 . 0 0 "[ ]" 1
1052 2 36 HIS H 2 36 HIS HB2 2.880 2.450 3.380 2.539 2.539 2.539 . 0 0 "[ ]" 1
1053 1 36 HIS H 1 36 HIS HB3 3.500 2.980 4.280 3.710 3.710 3.710 . 0 0 "[ ]" 1
1054 2 36 HIS H 2 36 HIS HB3 3.500 2.980 4.280 3.709 3.709 3.709 . 0 0 "[ ]" 1
1055 1 36 HIS HA 1 36 HIS HB2 2.730 2.320 3.170 3.015 3.015 3.015 . 0 0 "[ ]" 1
1056 2 36 HIS HA 2 36 HIS HB2 2.730 2.320 3.170 3.014 3.014 3.014 . 0 0 "[ ]" 1
1057 1 36 HIS HA 1 36 HIS HB3 2.470 2.100 2.840 2.467 2.467 2.467 . 0 0 "[ ]" 1
1058 2 36 HIS HA 2 36 HIS HB3 2.470 2.100 2.840 2.467 2.467 2.467 . 0 0 "[ ]" 1
1059 1 36 HIS HA 1 37 PRO HD2 2.210 . 2.540 2.600 2.600 2.600 0.060 1 0 "[ ]" 1
1060 2 36 HIS HA 2 37 PRO HD2 2.210 . 2.540 2.599 2.599 2.599 0.059 1 0 "[ ]" 1
1061 1 36 HIS HA 1 37 PRO HD3 2.030 . 2.340 2.073 2.073 2.073 . 0 0 "[ ]" 1
1062 2 36 HIS HA 2 37 PRO HD3 2.030 . 2.340 2.074 2.074 2.074 . 0 0 "[ ]" 1
1063 1 36 HIS HB2 1 36 HIS HD2 3.250 2.760 3.910 2.751 2.751 2.751 0.009 1 0 "[ ]" 1
1064 2 36 HIS HB2 2 36 HIS HD2 3.250 2.760 3.910 2.752 2.752 2.752 0.008 1 0 "[ ]" 1
1065 1 36 HIS HB2 1 37 PRO HD2 3.070 2.610 3.650 3.738 3.738 3.738 0.088 1 0 "[ ]" 1
1066 2 36 HIS HB2 2 37 PRO HD2 3.070 2.610 3.650 3.737 3.737 3.737 0.087 1 0 "[ ]" 1
1067 1 36 HIS HB3 1 37 PRO HD2 2.630 2.240 3.030 2.165 2.165 2.165 0.075 1 0 "[ ]" 1
1068 2 36 HIS HB3 2 37 PRO HD2 2.630 2.240 3.030 2.164 2.164 2.164 0.076 1 0 "[ ]" 1
1069 1 36 HIS HB3 1 37 PRO HD3 2.790 2.370 3.250 3.308 3.308 3.308 0.058 1 0 "[ ]" 1
1070 2 36 HIS HB3 2 37 PRO HD3 2.790 2.370 3.250 3.308 3.308 3.308 0.058 1 0 "[ ]" 1
1071 1 37 PRO HA 1 37 PRO HB3 2.140 . 2.460 2.278 2.278 2.278 . 0 0 "[ ]" 1
1072 2 37 PRO HA 2 37 PRO HB3 2.140 . 2.460 2.278 2.278 2.278 . 0 0 "[ ]" 1
1073 1 37 PRO HA 1 37 PRO HB2 2.390 2.030 2.750 2.703 2.703 2.703 . 0 0 "[ ]" 1
1074 2 37 PRO HA 2 37 PRO HB2 2.390 2.030 2.750 2.704 2.704 2.704 . 0 0 "[ ]" 1
1075 1 37 PRO HA 1 38 LEU H 2.150 . 2.470 2.270 2.270 2.270 . 0 0 "[ ]" 1
1076 2 37 PRO HA 2 38 LEU H 2.150 . 2.470 2.270 2.270 2.270 . 0 0 "[ ]" 1
1077 1 37 PRO HD2 1 37 PRO HG3 2.590 2.200 2.980 2.797 2.797 2.797 . 0 0 "[ ]" 1
1078 2 37 PRO HD2 2 37 PRO HG3 2.590 2.200 2.980 2.797 2.797 2.797 . 0 0 "[ ]" 1
1079 1 37 PRO HD3 1 37 PRO HG3 2.390 2.030 2.750 2.271 2.271 2.271 . 0 0 "[ ]" 1
1080 2 37 PRO HD3 2 37 PRO HG3 2.390 2.030 2.750 2.270 2.270 2.270 . 0 0 "[ ]" 1
1081 1 37 PRO HD2 1 37 PRO HG2 2.360 2.010 2.710 2.270 2.270 2.270 . 0 0 "[ ]" 1
1082 2 37 PRO HD2 2 37 PRO HG2 2.360 2.010 2.710 2.270 2.270 2.270 . 0 0 "[ ]" 1
1083 1 37 PRO HD3 1 37 PRO HG2 2.850 2.420 3.330 2.931 2.931 2.931 . 0 0 "[ ]" 1
1084 2 37 PRO HD3 2 37 PRO HG2 2.850 2.420 3.330 2.930 2.930 2.930 . 0 0 "[ ]" 1
1085 1 38 LEU H 1 38 LEU HB2 2.420 2.060 2.780 2.545 2.545 2.545 . 0 0 "[ ]" 1
1086 2 38 LEU H 2 38 LEU QB 2.420 2.060 2.780 2.502 2.502 2.502 . 0 0 "[ ]" 1
1087 1 38 LEU H 1 38 LEU HG 2.790 2.370 3.250 2.553 2.553 2.553 . 0 0 "[ ]" 1
1088 2 38 LEU H 2 38 LEU HG 2.790 2.370 3.250 2.551 2.551 2.551 . 0 0 "[ ]" 1
1089 1 38 LEU HA 1 38 LEU HB3 2.530 2.150 2.910 2.442 2.442 2.442 . 0 0 "[ ]" 1
1090 2 38 LEU HA 2 38 LEU QB 2.530 2.300 2.910 2.343 2.343 2.343 . 0 0 "[ ]" 1
1091 1 38 LEU HA 1 38 LEU HB2 2.710 2.300 3.140 3.019 3.019 3.019 . 0 0 "[ ]" 1
1092 1 38 LEU HA 1 38 LEU HG 3.070 2.610 3.650 2.884 2.884 2.884 . 0 0 "[ ]" 1
1093 2 38 LEU HA 2 38 LEU HG 3.070 2.610 3.650 2.884 2.884 2.884 . 0 0 "[ ]" 1
1094 1 38 LEU HA 1 38 LEU MD2 2.430 2.070 2.790 2.348 2.348 2.348 . 0 0 "[ ]" 1
1095 2 38 LEU HA 2 38 LEU QD . 2.750 2.790 2.330 2.330 2.330 0.420 1 0 "[ ]" 1
1096 1 38 LEU HA 1 38 LEU MD1 3.240 2.750 3.890 3.889 3.889 3.889 . 0 0 "[ ]" 1
1097 1 38 LEU HA 1 39 GLN H 2.250 . 2.590 2.177 2.177 2.177 . 0 0 "[ ]" 1
1098 2 38 LEU HA 2 39 GLN H 2.250 . 2.590 2.175 2.175 2.175 . 0 0 "[ ]" 1
1099 1 38 LEU HB3 1 38 LEU MD2 2.600 2.210 2.990 2.158 2.158 2.158 0.052 1 0 "[ ]" 1
1100 2 38 LEU QB 2 38 LEU QD . 2.730 2.760 1.879 1.879 1.879 0.851 1 1 [+] 1
1101 1 38 LEU HB3 1 38 LEU MD1 2.530 2.150 2.910 2.564 2.564 2.564 . 0 0 "[ ]" 1
1102 1 38 LEU HB3 1 39 GLN H 2.990 2.540 3.530 3.026 3.026 3.026 . 0 0 "[ ]" 1
1103 2 38 LEU QB 2 39 GLN H 2.990 2.540 3.530 2.939 2.939 2.939 . 0 0 "[ ]" 1
1104 1 38 LEU HB2 1 38 LEU MD2 3.210 2.730 3.850 3.179 3.179 3.179 . 0 0 "[ ]" 1
1105 1 38 LEU HB2 1 38 LEU MD1 2.400 2.040 2.760 2.220 2.220 2.220 . 0 0 "[ ]" 1
1106 1 38 LEU MD2 1 38 LEU HG 2.450 2.080 2.820 2.107 2.107 2.107 . 0 0 "[ ]" 1
1107 2 38 LEU QD 2 38 LEU HG 2.450 2.080 2.660 1.888 1.888 1.888 0.192 1 0 "[ ]" 1
1108 1 38 LEU MD1 1 38 LEU HG 2.310 . 2.660 2.131 2.131 2.131 . 0 0 "[ ]" 1
1109 1 39 GLN H 1 39 GLN HA 2.990 2.540 3.530 2.890 2.890 2.890 . 0 0 "[ ]" 1
1110 2 39 GLN H 2 39 GLN HA 2.990 2.540 3.530 2.891 2.891 2.891 . 0 0 "[ ]" 1
1111 1 39 GLN H 1 39 GLN HB3 2.590 2.200 2.980 2.334 2.334 2.334 . 0 0 "[ ]" 1
1112 2 39 GLN H 2 39 GLN HB3 2.590 2.200 2.980 2.335 2.335 2.335 . 0 0 "[ ]" 1
1113 1 39 GLN HA 1 39 GLN HB3 2.700 2.290 3.130 3.020 3.020 3.020 . 0 0 "[ ]" 1
1114 2 39 GLN HA 2 39 GLN HB3 2.700 2.290 3.130 3.021 3.021 3.021 . 0 0 "[ ]" 1
1115 1 39 GLN HA 1 39 GLN HB2 2.800 2.380 3.260 2.395 2.395 2.395 . 0 0 "[ ]" 1
1116 2 39 GLN HA 2 39 GLN HB2 2.800 2.380 3.260 2.395 2.395 2.395 . 0 0 "[ ]" 1
1117 1 39 GLN HA 1 39 GLN HG3 2.600 2.210 2.990 2.740 2.740 2.740 . 0 0 "[ ]" 1
1118 2 39 GLN HA 2 39 GLN HG3 2.600 2.210 2.990 2.741 2.741 2.741 . 0 0 "[ ]" 1
1119 1 39 GLN HA 1 39 GLN HG2 3.030 2.580 3.590 3.115 3.115 3.115 . 0 0 "[ ]" 1
1120 2 39 GLN HA 2 39 GLN HG2 3.030 2.580 3.590 3.115 3.115 3.115 . 0 0 "[ ]" 1
1121 1 39 GLN HA 1 40 CYS H 2.210 . 2.540 2.158 2.158 2.158 . 0 0 "[ ]" 1
1122 2 39 GLN HA 2 40 CYS H 2.210 . 2.540 2.157 2.157 2.157 . 0 0 "[ ]" 1
1123 1 39 GLN HE22 1 39 GLN HG3 2.960 2.520 3.490 3.617 3.617 3.617 0.127 1 0 "[ ]" 1
1124 2 39 GLN HE22 2 39 GLN HG3 2.960 2.520 3.490 3.617 3.617 3.617 0.127 1 0 "[ ]" 1
1125 1 39 GLN HG3 1 40 CYS H 3.140 2.670 3.750 3.448 3.448 3.448 . 0 0 "[ ]" 1
1126 2 39 GLN HG3 2 40 CYS H 3.140 2.670 3.750 3.449 3.449 3.449 . 0 0 "[ ]" 1
1127 1 40 CYS H 1 40 CYS HA 2.930 2.490 3.450 2.948 2.948 2.948 . 0 0 "[ ]" 1
1128 2 40 CYS H 2 40 CYS HA 2.930 2.490 3.450 2.947 2.947 2.947 . 0 0 "[ ]" 1
1129 1 40 CYS H 1 40 CYS HB3 3.170 2.690 3.790 3.865 3.865 3.865 0.075 1 0 "[ ]" 1
1130 2 40 CYS H 2 40 CYS HB3 3.170 2.690 3.790 3.865 3.865 3.865 0.075 1 0 "[ ]" 1
1131 1 40 CYS H 1 40 CYS HB2 3.070 2.610 3.650 2.974 2.974 2.974 . 0 0 "[ ]" 1
1132 2 40 CYS H 2 40 CYS HB2 3.070 2.610 3.650 2.971 2.971 2.971 . 0 0 "[ ]" 1
1133 1 40 CYS H 1 40 CYS HG 3.560 3.030 4.370 3.094 3.094 3.094 . 0 0 "[ ]" 1
1134 2 40 CYS H 2 40 CYS HG 3.560 3.030 4.370 3.091 3.091 3.091 . 0 0 "[ ]" 1
1135 1 40 CYS HA 1 40 CYS HB3 2.450 2.080 2.820 2.312 2.312 2.312 . 0 0 "[ ]" 1
1136 2 40 CYS HA 2 40 CYS HB3 2.450 2.080 2.820 2.313 2.313 2.313 . 0 0 "[ ]" 1
1137 1 40 CYS HA 1 40 CYS HB2 2.740 2.330 3.180 2.991 2.991 2.991 . 0 0 "[ ]" 1
1138 2 40 CYS HA 2 40 CYS HB2 2.740 2.330 3.180 2.990 2.990 2.990 . 0 0 "[ ]" 1
1139 1 40 CYS HA 1 41 GLN H 2.390 2.030 2.750 2.333 2.333 2.333 . 0 0 "[ ]" 1
1140 2 40 CYS HA 2 41 GLN H 2.390 2.030 2.750 2.333 2.333 2.333 . 0 0 "[ ]" 1
1141 1 40 CYS HB2 1 42 PHE QE 2.860 2.430 3.350 2.729 2.729 2.729 . 0 0 "[ ]" 1
1142 2 40 CYS HB2 2 42 PHE QE 2.860 2.430 3.350 2.726 2.726 2.726 . 0 0 "[ ]" 1
1143 1 41 GLN H 1 41 GLN HA 2.950 2.510 3.480 2.955 2.955 2.955 . 0 0 "[ ]" 1
1144 2 41 GLN H 2 41 GLN HA 2.950 2.510 3.480 2.955 2.955 2.955 . 0 0 "[ ]" 1
1145 1 41 GLN H 1 41 GLN QB 2.630 2.240 3.030 2.450 2.450 2.450 . 0 0 "[ ]" 1
1146 2 41 GLN H 2 41 GLN QB 2.630 2.240 3.030 2.451 2.451 2.451 . 0 0 "[ ]" 1
1147 1 41 GLN HA 1 41 GLN QB 2.070 . 2.380 2.412 2.412 2.412 0.032 1 0 "[ ]" 1
1148 2 41 GLN HA 2 41 GLN QB 2.070 . 2.380 2.411 2.411 2.411 0.031 1 0 "[ ]" 1
1149 1 41 GLN HA 1 42 PHE H 2.240 . 2.580 2.239 2.239 2.239 . 0 0 "[ ]" 1
1150 2 41 GLN HA 2 42 PHE H 2.240 . 2.580 2.239 2.239 2.239 . 0 0 "[ ]" 1
1151 1 41 GLN QB 1 41 GLN QG 1.800 . 2.070 2.102 2.102 2.102 0.032 1 0 "[ ]" 1
1152 2 41 GLN QB 2 41 GLN QG 1.800 . 2.070 2.101 2.101 2.101 0.031 1 0 "[ ]" 1
1153 1 41 GLN QB 1 42 PHE H 2.960 2.520 3.490 2.820 2.820 2.820 . 0 0 "[ ]" 1
1154 2 41 GLN QB 2 42 PHE H 2.960 2.520 3.490 2.821 2.821 2.821 . 0 0 "[ ]" 1
1155 1 41 GLN HE21 1 41 GLN QG 3.340 2.840 4.040 2.663 2.663 2.663 0.177 1 0 "[ ]" 1
1156 2 41 GLN HE21 2 41 GLN QG 3.340 2.840 4.040 2.664 2.664 2.664 0.176 1 0 "[ ]" 1
1157 1 41 GLN HE22 1 41 GLN QG 3.200 2.720 3.830 3.455 3.455 3.455 . 0 0 "[ ]" 1
1158 2 41 GLN HE22 2 41 GLN QG 3.200 2.720 3.830 3.455 3.455 3.455 . 0 0 "[ ]" 1
1159 1 42 PHE H 1 42 PHE HA 2.840 2.410 3.320 2.957 2.957 2.957 . 0 0 "[ ]" 1
1160 2 42 PHE H 2 42 PHE HA 2.840 2.410 3.320 2.957 2.957 2.957 . 0 0 "[ ]" 1
1161 1 42 PHE H 1 42 PHE HB2 2.510 2.130 2.890 2.609 2.609 2.609 . 0 0 "[ ]" 1
1162 2 42 PHE H 2 42 PHE HB2 2.510 2.130 2.890 2.607 2.607 2.607 . 0 0 "[ ]" 1
1163 1 42 PHE H 1 42 PHE HB3 3.140 2.670 3.750 3.752 3.752 3.752 0.002 1 0 "[ ]" 1
1164 2 42 PHE H 2 42 PHE HB3 3.140 2.670 3.750 3.752 3.752 3.752 0.002 1 0 "[ ]" 1
1165 1 42 PHE H 1 42 PHE QD 2.870 2.440 3.360 2.425 2.425 2.425 0.015 1 0 "[ ]" 1
1166 2 42 PHE H 2 42 PHE QD 2.870 2.440 3.360 2.425 2.425 2.425 0.015 1 0 "[ ]" 1
1167 1 42 PHE HA 1 42 PHE HB2 2.660 2.260 3.070 3.011 3.011 3.011 . 0 0 "[ ]" 1
1168 2 42 PHE HA 2 42 PHE HB2 2.660 2.260 3.070 3.011 3.011 3.011 . 0 0 "[ ]" 1
1169 1 42 PHE HA 1 42 PHE HB3 2.450 2.080 2.820 2.437 2.437 2.437 . 0 0 "[ ]" 1
1170 2 42 PHE HA 2 42 PHE HB3 2.450 2.080 2.820 2.437 2.437 2.437 . 0 0 "[ ]" 1
1171 1 42 PHE HA 1 42 PHE QD 2.540 2.160 2.920 3.058 3.058 3.058 0.138 1 0 "[ ]" 1
1172 2 42 PHE HA 2 42 PHE QD 2.540 2.160 2.920 3.058 3.058 3.058 0.138 1 0 "[ ]" 1
1173 1 42 PHE HA 1 43 PHE H 2.210 . 2.540 2.215 2.215 2.215 . 0 0 "[ ]" 1
1174 2 42 PHE HA 2 43 PHE H 2.210 . 2.540 2.215 2.215 2.215 . 0 0 "[ ]" 1
1175 1 42 PHE HB2 1 42 PHE QD 2.440 2.070 2.810 2.468 2.468 2.468 . 0 0 "[ ]" 1
1176 2 42 PHE HB2 2 42 PHE QD 2.440 2.070 2.810 2.468 2.468 2.468 . 0 0 "[ ]" 1
1177 1 42 PHE HB2 1 44 VAL MG1 2.860 2.430 3.350 2.380 2.380 2.380 0.050 1 0 "[ ]" 1
1178 2 42 PHE HB2 2 44 VAL MG1 2.860 2.430 3.350 2.380 2.380 2.380 0.050 1 0 "[ ]" 1
1179 1 42 PHE HB3 1 42 PHE QD 2.390 2.030 2.750 2.312 2.312 2.312 . 0 0 "[ ]" 1
1180 2 42 PHE HB3 2 42 PHE QD 2.390 2.030 2.750 2.312 2.312 2.312 . 0 0 "[ ]" 1
1181 1 42 PHE HB3 1 44 VAL MG1 2.780 2.360 3.240 2.750 2.750 2.750 . 0 0 "[ ]" 1
1182 2 42 PHE HB3 2 44 VAL MG1 2.780 2.360 3.240 2.750 2.750 2.750 . 0 0 "[ ]" 1
1183 1 42 PHE HB3 1 72 PHE HZ 3.720 3.160 4.610 3.126 3.126 3.126 0.034 1 0 "[ ]" 1
1184 2 42 PHE HB3 2 72 PHE HZ 3.720 3.160 4.610 3.126 3.126 3.126 0.034 1 0 "[ ]" 1
1185 1 42 PHE QD 1 72 PHE HZ 2.530 2.150 2.910 2.974 2.974 2.974 0.064 1 0 "[ ]" 1
1186 2 42 PHE QD 2 72 PHE HZ 2.530 2.150 2.910 2.974 2.974 2.974 0.064 1 0 "[ ]" 1
1187 1 42 PHE QE 1 70 PHE QE 3.190 2.710 3.820 3.369 3.369 3.369 . 0 0 "[ ]" 1
1188 2 42 PHE QE 2 70 PHE QE 3.190 2.710 3.820 3.371 3.371 3.371 . 0 0 "[ ]" 1
1189 1 43 PHE H 1 43 PHE HB2 2.620 2.230 3.020 2.644 2.644 2.644 . 0 0 "[ ]" 1
1190 2 43 PHE H 2 43 PHE HB2 2.620 2.230 3.020 2.644 2.644 2.644 . 0 0 "[ ]" 1
1191 1 43 PHE H 1 43 PHE HB3 2.550 2.170 2.930 2.541 2.541 2.541 . 0 0 "[ ]" 1
1192 2 43 PHE H 2 43 PHE HB3 2.550 2.170 2.930 2.541 2.541 2.541 . 0 0 "[ ]" 1
1193 1 43 PHE HA 1 43 PHE HB2 2.200 . 2.530 2.513 2.513 2.513 . 0 0 "[ ]" 1
1194 2 43 PHE HA 2 43 PHE HB2 2.200 . 2.530 2.513 2.513 2.513 . 0 0 "[ ]" 1
1195 1 43 PHE HA 1 43 PHE HB3 2.550 2.170 2.930 3.004 3.004 3.004 0.074 1 0 "[ ]" 1
1196 2 43 PHE HA 2 43 PHE HB3 2.550 2.170 2.930 3.003 3.003 3.003 0.073 1 0 "[ ]" 1
1197 1 43 PHE HA 1 43 PHE QD 2.740 2.330 3.180 2.964 2.964 2.964 . 0 0 "[ ]" 1
1198 2 43 PHE HA 2 43 PHE QD 2.740 2.330 3.180 2.964 2.964 2.964 . 0 0 "[ ]" 1
1199 1 43 PHE HA 1 44 VAL H 2.220 . 2.550 2.364 2.364 2.364 . 0 0 "[ ]" 1
1200 2 43 PHE HA 2 44 VAL H 2.220 . 2.550 2.363 2.363 2.363 . 0 0 "[ ]" 1
1201 1 43 PHE HB2 1 43 PHE QD 2.710 2.300 3.140 2.381 2.381 2.381 . 0 0 "[ ]" 1
1202 2 43 PHE HB2 2 43 PHE QD 2.710 2.300 3.140 2.381 2.381 2.381 . 0 0 "[ ]" 1
1203 1 43 PHE HB3 1 43 PHE QD 2.830 2.410 3.300 2.406 2.406 2.406 0.004 1 0 "[ ]" 1
1204 2 43 PHE HB3 2 43 PHE QD 2.830 2.410 3.300 2.406 2.406 2.406 0.004 1 0 "[ ]" 1
1205 1 43 PHE HB3 1 44 VAL H 3.500 2.980 4.280 4.385 4.385 4.385 0.105 1 0 "[ ]" 1
1206 2 43 PHE HB3 2 44 VAL H 3.500 2.980 4.280 4.385 4.385 4.385 0.105 1 0 "[ ]" 1
1207 1 43 PHE QD 1 44 VAL H 4.050 3.440 5.130 4.453 4.453 4.453 . 0 0 "[ ]" 1
1208 2 43 PHE QD 2 44 VAL H 4.050 3.440 5.130 4.452 4.452 4.452 . 0 0 "[ ]" 1
1209 1 44 VAL H 1 44 VAL HA 2.930 2.490 3.450 2.888 2.888 2.888 . 0 0 "[ ]" 1
1210 2 44 VAL H 2 44 VAL HA 2.930 2.490 3.450 2.888 2.888 2.888 . 0 0 "[ ]" 1
1211 1 44 VAL H 1 44 VAL HB 3.610 3.070 4.440 3.608 3.608 3.608 . 0 0 "[ ]" 1
1212 2 44 VAL H 2 44 VAL HB 3.610 3.070 4.440 3.607 3.607 3.607 . 0 0 "[ ]" 1
1213 1 44 VAL H 1 44 VAL MG2 2.540 2.160 2.920 2.158 2.158 2.158 0.002 1 0 "[ ]" 1
1214 2 44 VAL H 2 44 VAL MG2 2.540 2.160 2.920 2.158 2.158 2.158 0.002 1 0 "[ ]" 1
1215 1 44 VAL HA 1 44 VAL HB 2.100 . 2.410 2.412 2.412 2.412 0.002 1 0 "[ ]" 1
1216 2 44 VAL HA 2 44 VAL HB 2.100 . 2.410 2.411 2.411 2.411 0.001 1 0 "[ ]" 1
1217 1 44 VAL HA 1 44 VAL MG1 2.420 2.060 2.780 2.347 2.347 2.347 . 0 0 "[ ]" 1
1218 2 44 VAL HA 2 44 VAL MG1 2.420 2.060 2.780 2.347 2.347 2.347 . 0 0 "[ ]" 1
1219 1 44 VAL HA 1 44 VAL MG2 2.960 2.520 3.490 3.203 3.203 3.203 . 0 0 "[ ]" 1
1220 2 44 VAL HA 2 44 VAL MG2 2.960 2.520 3.490 3.203 3.203 3.203 . 0 0 "[ ]" 1
1221 1 44 VAL HA 1 44 VAL QG 1.990 . 2.290 2.291 2.291 2.291 0.001 1 0 "[ ]" 1
1222 2 44 VAL HA 2 44 VAL QG 1.990 . 2.290 2.291 2.291 2.291 0.001 1 0 "[ ]" 1
1223 1 44 VAL HA 1 45 GLU H 2.320 . 2.670 2.343 2.343 2.343 . 0 0 "[ ]" 1
1224 2 44 VAL HA 2 45 GLU H 2.320 . 2.670 2.342 2.342 2.342 . 0 0 "[ ]" 1
1225 1 44 VAL HA 1 46 SER H 3.440 2.920 4.190 4.078 4.078 4.078 . 0 0 "[ ]" 1
1226 2 44 VAL HA 2 46 SER H 3.440 2.920 4.190 4.078 4.078 4.078 . 0 0 "[ ]" 1
1227 1 44 VAL HB 1 44 VAL MG1 2.160 . 2.480 2.129 2.129 2.129 . 0 0 "[ ]" 1
1228 2 44 VAL HB 2 44 VAL MG1 2.160 . 2.480 2.128 2.128 2.128 . 0 0 "[ ]" 1
1229 1 44 VAL HB 1 44 VAL MG2 2.160 . 2.480 2.124 2.124 2.124 . 0 0 "[ ]" 1
1230 2 44 VAL HB 2 44 VAL MG2 2.160 . 2.480 2.123 2.123 2.123 . 0 0 "[ ]" 1
1231 1 44 VAL HB 1 44 VAL QG 1.830 . 2.100 1.894 1.894 1.894 . 0 0 "[ ]" 1
1232 2 44 VAL HB 2 44 VAL QG 1.830 . 2.100 1.894 1.894 1.894 . 0 0 "[ ]" 1
1233 1 44 VAL HB 1 48 ILE MD 3.320 2.820 4.010 3.241 3.241 3.241 . 0 0 "[ ]" 1
1234 2 44 VAL HB 2 48 ILE MD 3.320 2.820 4.010 3.242 3.242 3.242 . 0 0 "[ ]" 1
1235 1 44 VAL MG1 1 48 ILE MD 2.580 2.190 2.970 2.182 2.182 2.182 0.008 1 0 "[ ]" 1
1236 2 44 VAL MG1 2 48 ILE MD 2.580 2.190 2.970 2.181 2.181 2.181 0.009 1 0 "[ ]" 1
1237 1 44 VAL MG1 1 72 PHE QD 3.600 3.060 4.430 3.879 3.879 3.879 . 0 0 "[ ]" 1
1238 2 44 VAL MG1 2 72 PHE QD 3.600 3.060 4.430 3.883 3.883 3.883 . 0 0 "[ ]" 1
1239 1 44 VAL MG1 1 72 PHE QE 3.120 2.650 3.720 2.632 2.632 2.632 0.018 1 0 "[ ]" 1
1240 2 44 VAL MG1 2 72 PHE QE 3.120 2.650 3.720 2.633 2.633 2.633 0.017 1 0 "[ ]" 1
1241 1 44 VAL MG2 1 46 SER HA 3.430 2.920 4.170 4.159 4.159 4.159 . 0 0 "[ ]" 1
1242 2 44 VAL MG2 2 46 SER HA 3.430 2.920 4.170 4.158 4.158 4.158 . 0 0 "[ ]" 1
1243 1 44 VAL MG2 1 47 VAL H 4.000 3.400 5.050 4.222 4.222 4.222 . 0 0 "[ ]" 1
1244 2 44 VAL MG2 2 47 VAL H 4.000 3.400 5.050 4.222 4.222 4.222 . 0 0 "[ ]" 1
1245 1 44 VAL MG2 1 47 VAL HA 2.530 2.150 2.910 2.738 2.738 2.738 . 0 0 "[ ]" 1
1246 2 44 VAL MG2 2 47 VAL HA 2.530 2.150 2.910 2.738 2.738 2.738 . 0 0 "[ ]" 1
1247 1 44 VAL QG 1 45 GLU H 3.180 2.700 3.800 3.153 3.153 3.153 . 0 0 "[ ]" 1
1248 2 44 VAL QG 2 45 GLU H 3.180 2.700 3.800 3.153 3.153 3.153 . 0 0 "[ ]" 1
1249 1 44 VAL QG 1 46 SER H 2.940 2.500 3.460 3.292 3.292 3.292 . 0 0 "[ ]" 1
1250 2 44 VAL QG 2 46 SER H 2.940 2.500 3.460 3.292 3.292 3.292 . 0 0 "[ ]" 1
1251 1 45 GLU H 1 45 GLU HA 2.820 2.400 3.290 2.940 2.940 2.940 . 0 0 "[ ]" 1
1252 2 45 GLU H 2 45 GLU HA 2.820 2.400 3.290 2.939 2.939 2.939 . 0 0 "[ ]" 1
1253 1 45 GLU H 1 45 GLU HB3 3.090 2.630 3.670 3.675 3.675 3.675 0.005 1 0 "[ ]" 1
1254 2 45 GLU H 2 45 GLU HB3 3.090 2.630 3.670 3.676 3.676 3.676 0.006 1 0 "[ ]" 1
1255 1 45 GLU H 1 45 GLU HG2 3.020 2.570 3.570 3.076 3.076 3.076 . 0 0 "[ ]" 1
1256 2 45 GLU H 2 45 GLU HG2 3.020 2.570 3.570 3.076 3.076 3.076 . 0 0 "[ ]" 1
1257 1 45 GLU H 1 46 SER H 2.410 2.050 2.770 2.049 2.049 2.049 0.001 1 0 "[ ]" 1
1258 2 45 GLU H 2 46 SER H 2.410 2.050 2.770 2.050 2.050 2.050 . 0 0 "[ ]" 1
1259 1 45 GLU HA 1 45 GLU HB2 2.540 2.160 2.920 2.975 2.975 2.975 0.055 1 0 "[ ]" 1
1260 2 45 GLU HA 2 45 GLU HB2 2.540 2.160 2.920 2.974 2.974 2.974 0.054 1 0 "[ ]" 1
1261 1 45 GLU HA 1 45 GLU HB3 2.390 2.030 2.750 2.300 2.300 2.300 . 0 0 "[ ]" 1
1262 2 45 GLU HA 2 45 GLU HB3 2.390 2.030 2.750 2.300 2.300 2.300 . 0 0 "[ ]" 1
1263 1 45 GLU HA 1 45 GLU HG3 2.940 2.500 3.460 3.419 3.419 3.419 . 0 0 "[ ]" 1
1264 2 45 GLU HA 2 45 GLU HG3 2.940 2.500 3.460 3.419 3.419 3.419 . 0 0 "[ ]" 1
1265 1 45 GLU HA 1 45 GLU HG2 3.040 2.580 3.600 2.901 2.901 2.901 . 0 0 "[ ]" 1
1266 2 45 GLU HA 2 45 GLU HG2 3.040 2.580 3.600 2.901 2.901 2.901 . 0 0 "[ ]" 1
1267 1 45 GLU HA 1 46 SER H 3.390 2.880 4.110 3.487 3.487 3.487 . 0 0 "[ ]" 1
1268 2 45 GLU HA 2 46 SER H 3.390 2.880 4.110 3.487 3.487 3.487 . 0 0 "[ ]" 1
1269 1 45 GLU HB2 1 45 GLU HG2 2.980 2.530 3.520 3.025 3.025 3.025 . 0 0 "[ ]" 1
1270 2 45 GLU HB2 2 45 GLU HG2 2.980 2.530 3.520 3.024 3.024 3.024 . 0 0 "[ ]" 1
1271 1 45 GLU HB2 1 46 SER H 2.450 2.080 2.820 2.738 2.738 2.738 . 0 0 "[ ]" 1
1272 2 45 GLU HB2 2 46 SER H 2.450 2.080 2.820 2.737 2.737 2.737 . 0 0 "[ ]" 1
1273 1 45 GLU HB3 1 46 SER H 3.410 2.900 4.140 4.020 4.020 4.020 . 0 0 "[ ]" 1
1274 2 45 GLU HB3 2 46 SER H 3.410 2.900 4.140 4.020 4.020 4.020 . 0 0 "[ ]" 1
1275 1 45 GLU HG2 1 46 SER H 3.690 3.140 4.570 4.567 4.567 4.567 . 0 0 "[ ]" 1
1276 2 45 GLU HG2 2 46 SER H 3.690 3.140 4.570 4.567 4.567 4.567 . 0 0 "[ ]" 1
1277 1 46 SER H 1 46 SER HA 2.790 2.370 3.250 2.952 2.952 2.952 . 0 0 "[ ]" 1
1278 2 46 SER H 2 46 SER HA 2.790 2.370 3.250 2.952 2.952 2.952 . 0 0 "[ ]" 1
1279 1 46 SER H 1 46 SER HB3 3.340 2.840 4.040 3.806 3.806 3.806 . 0 0 "[ ]" 1
1280 2 46 SER H 2 46 SER HB3 3.340 2.840 4.040 3.806 3.806 3.806 . 0 0 "[ ]" 1
1281 1 46 SER H 1 46 SER HB2 3.310 2.810 3.990 3.057 3.057 3.057 . 0 0 "[ ]" 1
1282 2 46 SER H 2 46 SER HB2 3.310 2.810 3.990 3.057 3.057 3.057 . 0 0 "[ ]" 1
1283 1 46 SER H 1 47 VAL H 4.200 3.570 5.370 4.420 4.420 4.420 . 0 0 "[ ]" 1
1284 2 46 SER H 2 47 VAL H 4.200 3.570 5.370 4.420 4.420 4.420 . 0 0 "[ ]" 1
1285 1 46 SER HA 1 46 SER HB3 2.510 2.130 2.890 2.265 2.265 2.265 . 0 0 "[ ]" 1
1286 2 46 SER HA 2 46 SER HB3 2.510 2.130 2.890 2.266 2.266 2.266 . 0 0 "[ ]" 1
1287 1 46 SER HA 1 46 SER HB2 2.390 2.030 2.750 2.944 2.944 2.944 0.194 1 0 "[ ]" 1
1288 2 46 SER HA 2 46 SER HB2 2.390 2.030 2.750 2.945 2.945 2.945 0.195 1 0 "[ ]" 1
1289 1 46 SER HA 1 47 VAL H 2.330 . 2.680 2.259 2.259 2.259 . 0 0 "[ ]" 1
1290 2 46 SER HA 2 47 VAL H 2.330 . 2.680 2.259 2.259 2.259 . 0 0 "[ ]" 1
1291 1 46 SER HA 1 47 VAL MG2 3.440 2.920 4.190 3.701 3.701 3.701 . 0 0 "[ ]" 1
1292 2 46 SER HA 2 47 VAL MG2 3.440 2.920 4.190 3.701 3.701 3.701 . 0 0 "[ ]" 1
1293 1 46 SER HB3 1 47 VAL H 3.340 2.840 4.040 3.106 3.106 3.106 . 0 0 "[ ]" 1
1294 2 46 SER HB3 2 47 VAL H 3.340 2.840 4.040 3.105 3.105 3.105 . 0 0 "[ ]" 1
1295 1 46 SER HB2 1 47 VAL H 3.340 2.840 4.040 3.479 3.479 3.479 . 0 0 "[ ]" 1
1296 2 46 SER HB2 2 47 VAL H 3.340 2.840 4.040 3.480 3.480 3.480 . 0 0 "[ ]" 1
1297 1 47 VAL H 1 47 VAL HA 2.920 2.480 3.430 2.836 2.836 2.836 . 0 0 "[ ]" 1
1298 2 47 VAL H 2 47 VAL HA 2.920 2.480 3.430 2.836 2.836 2.836 . 0 0 "[ ]" 1
1299 1 47 VAL H 1 47 VAL HB 2.450 2.080 2.820 2.482 2.482 2.482 . 0 0 "[ ]" 1
1300 2 47 VAL H 2 47 VAL HB 2.450 2.080 2.820 2.484 2.484 2.484 . 0 0 "[ ]" 1
1301 1 47 VAL H 1 47 VAL MG1 3.570 3.030 4.380 3.748 3.748 3.748 . 0 0 "[ ]" 1
1302 2 47 VAL H 2 47 VAL MG1 3.570 3.030 4.380 3.749 3.749 3.749 . 0 0 "[ ]" 1
1303 1 47 VAL H 1 47 VAL MG2 2.740 2.330 3.180 2.304 2.304 2.304 0.026 1 0 "[ ]" 1
1304 2 47 VAL H 2 47 VAL MG2 2.740 2.330 3.180 2.303 2.303 2.303 0.027 1 0 "[ ]" 1
1305 1 47 VAL HA 1 47 VAL HB 2.550 2.170 2.930 3.005 3.005 3.005 0.075 1 0 "[ ]" 1
1306 2 47 VAL HA 2 47 VAL HB 2.550 2.170 2.930 3.006 3.006 3.006 0.076 1 0 "[ ]" 1
1307 1 47 VAL HA 1 47 VAL MG1 2.510 2.130 2.890 2.306 2.306 2.306 . 0 0 "[ ]" 1
1308 2 47 VAL HA 2 47 VAL MG1 2.510 2.130 2.890 2.307 2.307 2.307 . 0 0 "[ ]" 1
1309 1 47 VAL HA 1 47 VAL MG2 2.320 . 2.670 2.280 2.280 2.280 . 0 0 "[ ]" 1
1310 2 47 VAL HA 2 47 VAL MG2 2.320 . 2.670 2.279 2.279 2.279 . 0 0 "[ ]" 1
1311 1 47 VAL HA 1 48 ILE H 2.150 . 2.470 2.137 2.137 2.137 . 0 0 "[ ]" 1
1312 2 47 VAL HA 2 48 ILE H 2.150 . 2.470 2.138 2.138 2.138 . 0 0 "[ ]" 1
1313 1 47 VAL HB 1 47 VAL MG1 2.320 . 2.670 2.096 2.096 2.096 . 0 0 "[ ]" 1
1314 2 47 VAL HB 2 47 VAL MG1 2.320 . 2.670 2.096 2.096 2.096 . 0 0 "[ ]" 1
1315 1 47 VAL HB 1 47 VAL MG2 2.240 . 2.580 2.096 2.096 2.096 . 0 0 "[ ]" 1
1316 2 47 VAL HB 2 47 VAL MG2 2.240 . 2.580 2.097 2.097 2.097 . 0 0 "[ ]" 1
1317 1 48 ILE H 1 48 ILE HA 3.090 2.630 3.670 2.939 2.939 2.939 . 0 0 "[ ]" 1
1318 2 48 ILE H 2 48 ILE HA 3.090 2.630 3.670 2.939 2.939 2.939 . 0 0 "[ ]" 1
1319 1 48 ILE H 1 48 ILE MG 3.810 3.240 4.750 3.768 3.768 3.768 . 0 0 "[ ]" 1
1320 2 48 ILE H 2 48 ILE MG 3.810 3.240 4.750 3.768 3.768 3.768 . 0 0 "[ ]" 1
1321 1 48 ILE HA 1 48 ILE MG 2.420 2.060 2.780 2.468 2.468 2.468 . 0 0 "[ ]" 1
1322 2 48 ILE HA 2 48 ILE MG 2.420 2.060 2.780 2.468 2.468 2.468 . 0 0 "[ ]" 1
1323 1 48 ILE HA 1 48 ILE HG12 2.500 2.120 2.880 2.578 2.578 2.578 . 0 0 "[ ]" 1
1324 2 48 ILE HA 2 48 ILE HG12 2.500 2.120 2.880 2.578 2.578 2.578 . 0 0 "[ ]" 1
1325 1 48 ILE HA 1 48 ILE HG13 2.580 2.190 2.970 2.910 2.910 2.910 . 0 0 "[ ]" 1
1326 2 48 ILE HA 2 48 ILE HG13 2.580 2.190 2.970 2.911 2.911 2.911 . 0 0 "[ ]" 1
1327 1 48 ILE HA 1 48 ILE MD 3.150 2.680 3.760 3.841 3.841 3.841 0.081 1 0 "[ ]" 1
1328 2 48 ILE HA 2 48 ILE MD 3.150 2.680 3.760 3.841 3.841 3.841 0.081 1 0 "[ ]" 1
1329 1 48 ILE HA 1 49 PRO HD2 2.230 . 2.560 2.181 2.181 2.181 . 0 0 "[ ]" 1
1330 2 48 ILE HA 2 49 PRO HD2 2.230 . 2.560 2.181 2.181 2.181 . 0 0 "[ ]" 1
1331 1 48 ILE HB 1 48 ILE MG 2.260 . 2.600 2.129 2.129 2.129 . 0 0 "[ ]" 1
1332 2 48 ILE HB 2 48 ILE MG 2.260 . 2.600 2.130 2.130 2.130 . 0 0 "[ ]" 1
1333 1 48 ILE HB 1 48 ILE MD 2.430 2.060 2.800 2.201 2.201 2.201 . 0 0 "[ ]" 1
1334 2 48 ILE HB 2 48 ILE MD 2.430 2.060 2.800 2.201 2.201 2.201 . 0 0 "[ ]" 1
1335 1 48 ILE HG12 1 48 ILE MG 2.610 2.220 3.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
1336 2 48 ILE HG12 2 48 ILE MG 2.610 2.220 3.000 2.267 2.267 2.267 . 0 0 "[ ]" 1
1337 1 48 ILE HG13 1 48 ILE MG 2.760 2.350 3.210 3.192 3.192 3.192 . 0 0 "[ ]" 1
1338 2 48 ILE HG13 2 48 ILE MG 2.760 2.350 3.210 3.192 3.192 3.192 . 0 0 "[ ]" 1
1339 1 48 ILE MD 1 48 ILE MG 2.500 2.120 2.880 2.115 2.115 2.115 0.005 1 0 "[ ]" 1
1340 2 48 ILE MD 2 48 ILE MG 2.500 2.120 2.880 2.114 2.114 2.114 0.006 1 0 "[ ]" 1
1341 1 48 ILE MG 1 49 PRO HD2 2.530 2.150 2.910 2.084 2.084 2.084 0.066 1 0 "[ ]" 1
1342 2 48 ILE MG 2 49 PRO HD2 2.530 2.150 2.910 2.085 2.085 2.085 0.065 1 0 "[ ]" 1
1343 1 48 ILE MG 1 49 PRO HD3 2.880 2.450 3.380 3.404 3.404 3.404 0.024 1 0 "[ ]" 1
1344 2 48 ILE MG 2 49 PRO HD3 2.880 2.450 3.380 3.404 3.404 3.404 0.024 1 0 "[ ]" 1
1345 1 48 ILE MG 1 53 TYR QE 2.690 2.290 3.110 3.157 3.157 3.157 0.047 1 0 "[ ]" 1
1346 2 48 ILE MG 2 53 TYR QE 2.690 2.290 3.110 3.155 3.155 3.155 0.045 1 0 "[ ]" 1
1347 1 48 ILE MG 1 75 MET ME 2.370 2.020 2.720 2.046 2.046 2.046 . 0 0 "[ ]" 1
1348 2 48 ILE MG 2 75 MET ME 2.370 2.020 2.720 2.047 2.047 2.047 . 0 0 "[ ]" 1
1349 1 48 ILE MD 1 48 ILE HG12 2.540 2.160 2.920 2.107 2.107 2.107 0.053 1 0 "[ ]" 1
1350 2 48 ILE MD 2 48 ILE HG12 2.540 2.160 2.920 2.107 2.107 2.107 0.053 1 0 "[ ]" 1
1351 1 48 ILE HG12 1 75 MET ME 2.970 2.520 3.510 2.879 2.879 2.879 . 0 0 "[ ]" 1
1352 2 48 ILE HG12 2 75 MET ME 2.970 2.520 3.510 2.882 2.882 2.882 . 0 0 "[ ]" 1
1353 1 48 ILE MD 1 48 ILE HG13 2.410 2.050 2.770 2.102 2.102 2.102 . 0 0 "[ ]" 1
1354 2 48 ILE MD 2 48 ILE HG13 2.410 2.050 2.770 2.102 2.102 2.102 . 0 0 "[ ]" 1
1355 1 48 ILE HG13 1 75 MET ME 3.570 3.030 4.380 4.290 4.290 4.290 . 0 0 "[ ]" 1
1356 2 48 ILE HG13 2 75 MET ME 3.570 3.030 4.380 4.293 4.293 4.293 . 0 0 "[ ]" 1
1357 1 48 ILE MD 1 72 PHE HB3 3.070 2.610 3.650 3.173 3.173 3.173 . 0 0 "[ ]" 1
1358 2 48 ILE MD 2 72 PHE HB3 3.070 2.610 3.650 3.176 3.176 3.176 . 0 0 "[ ]" 1
1359 1 48 ILE MD 1 72 PHE QD 3.290 2.800 3.970 3.037 3.037 3.037 . 0 0 "[ ]" 1
1360 2 48 ILE MD 2 72 PHE QD 3.290 2.800 3.970 3.040 3.040 3.040 . 0 0 "[ ]" 1
1361 1 48 ILE MD 1 75 MET ME 2.570 2.180 2.960 2.569 2.569 2.569 . 0 0 "[ ]" 1
1362 2 48 ILE MD 2 75 MET ME 2.570 2.180 2.960 2.571 2.571 2.571 . 0 0 "[ ]" 1
1363 1 49 PRO HA 1 49 PRO HB3 2.680 2.280 3.100 2.264 2.264 2.264 0.016 1 0 "[ ]" 1
1364 2 49 PRO HA 2 49 PRO HB3 2.680 2.280 3.100 2.264 2.264 2.264 0.016 1 0 "[ ]" 1
1365 1 49 PRO HA 1 49 PRO HB2 2.230 . 2.560 2.713 2.713 2.713 0.153 1 0 "[ ]" 1
1366 2 49 PRO HA 2 49 PRO HB2 2.230 . 2.560 2.712 2.712 2.712 0.152 1 0 "[ ]" 1
1367 1 49 PRO HA 1 49 PRO HG2 2.800 2.380 3.760 3.841 3.841 3.841 0.081 1 0 "[ ]" 1
1368 2 49 PRO HA 2 49 PRO HG2 2.800 2.380 3.760 3.840 3.840 3.840 0.080 1 0 "[ ]" 1
1369 1 49 PRO HA 1 49 PRO HD3 2.800 2.380 3.760 3.558 3.558 3.558 . 0 0 "[ ]" 1
1370 2 49 PRO HA 2 49 PRO HD3 2.800 2.380 3.760 3.558 3.558 3.558 . 0 0 "[ ]" 1
1371 1 49 PRO HA 1 50 ALA H 2.270 . 2.610 2.130 2.130 2.130 . 0 0 "[ ]" 1
1372 2 49 PRO HA 2 50 ALA H 2.270 . 2.610 2.129 2.129 2.129 . 0 0 "[ ]" 1
1373 1 49 PRO HB3 1 49 PRO HD2 3.020 2.570 4.070 3.886 3.886 3.886 . 0 0 "[ ]" 1
1374 2 49 PRO HB3 2 49 PRO HD2 3.020 2.570 4.070 3.886 3.886 3.886 . 0 0 "[ ]" 1
1375 1 49 PRO HB3 1 50 ALA H 4.020 3.420 5.080 3.901 3.901 3.901 . 0 0 "[ ]" 1
1376 2 49 PRO HB3 2 50 ALA H 4.020 3.420 5.080 3.901 3.901 3.901 . 0 0 "[ ]" 1
1377 1 49 PRO HB2 1 50 ALA H 3.220 2.740 3.860 3.474 3.474 3.474 . 0 0 "[ ]" 1
1378 2 49 PRO HB2 2 50 ALA H 3.220 2.740 3.860 3.475 3.475 3.475 . 0 0 "[ ]" 1
1379 1 49 PRO HD2 1 49 PRO HG2 2.780 2.360 3.240 2.314 2.314 2.314 0.046 1 0 "[ ]" 1
1380 2 49 PRO HD2 2 49 PRO HG2 2.780 2.360 3.240 2.314 2.314 2.314 0.046 1 0 "[ ]" 1
1381 1 49 PRO HD2 1 49 PRO HG3 2.470 2.100 2.840 2.715 2.715 2.715 . 0 0 "[ ]" 1
1382 2 49 PRO HD2 2 49 PRO HG3 2.470 2.100 2.840 2.715 2.715 2.715 . 0 0 "[ ]" 1
1383 1 49 PRO HD3 1 49 PRO HG3 2.310 . 2.660 2.312 2.312 2.312 . 0 0 "[ ]" 1
1384 2 49 PRO HD3 2 49 PRO HG3 2.310 . 2.660 2.312 2.312 2.312 . 0 0 "[ ]" 1
1385 1 50 ALA H 1 50 ALA HA 2.760 2.350 3.210 2.757 2.757 2.757 . 0 0 "[ ]" 1
1386 2 50 ALA H 2 50 ALA HA 2.760 2.350 3.210 2.757 2.757 2.757 . 0 0 "[ ]" 1
1387 1 50 ALA H 1 50 ALA MB 2.520 2.140 2.900 2.170 2.170 2.170 . 0 0 "[ ]" 1
1388 2 50 ALA H 2 50 ALA MB 2.520 2.140 2.900 2.171 2.171 2.171 . 0 0 "[ ]" 1
1389 1 50 ALA HA 1 50 ALA MB 2.130 . 2.450 2.127 2.127 2.127 . 0 0 "[ ]" 1
1390 2 50 ALA HA 2 50 ALA MB 2.130 . 2.450 2.127 2.127 2.127 . 0 0 "[ ]" 1
1391 1 50 ALA HA 1 51 GLY H 2.160 . 2.480 2.129 2.129 2.129 . 0 0 "[ ]" 1
1392 2 50 ALA HA 2 51 GLY H 2.160 . 2.480 2.128 2.128 2.128 . 0 0 "[ ]" 1
1393 1 50 ALA MB 1 51 GLY H 2.840 2.410 3.320 3.113 3.113 3.113 . 0 0 "[ ]" 1
1394 2 50 ALA MB 2 51 GLY H 2.840 2.410 3.320 3.114 3.114 3.114 . 0 0 "[ ]" 1
1395 1 51 GLY H 1 51 GLY HA3 2.870 2.440 3.360 2.882 2.882 2.882 . 0 0 "[ ]" 1
1396 2 51 GLY H 2 51 GLY HA3 2.870 2.440 3.360 2.881 2.881 2.881 . 0 0 "[ ]" 1
1397 1 51 GLY H 1 51 GLY HA2 2.940 2.500 3.460 2.720 2.720 2.720 . 0 0 "[ ]" 1
1398 2 51 GLY H 2 51 GLY HA2 2.940 2.500 3.460 2.720 2.720 2.720 . 0 0 "[ ]" 1
1399 1 51 GLY H 1 53 TYR QE 3.240 2.750 3.890 3.829 3.829 3.829 . 0 0 "[ ]" 1
1400 2 51 GLY H 2 53 TYR QE 3.240 2.750 3.890 3.828 3.828 3.828 . 0 0 "[ ]" 1
1401 1 51 GLY HA3 1 52 SER H 2.540 2.160 2.920 2.847 2.847 2.847 . 0 0 "[ ]" 1
1402 2 51 GLY HA3 2 52 SER H 2.540 2.160 2.920 2.848 2.848 2.848 . 0 0 "[ ]" 1
1403 1 51 GLY HA2 1 52 SER H 2.550 2.170 2.930 2.349 2.349 2.349 . 0 0 "[ ]" 1
1404 2 51 GLY HA2 2 52 SER H 2.550 2.170 2.930 2.350 2.350 2.350 . 0 0 "[ ]" 1
1405 1 52 SER H 1 52 SER HA 2.980 2.530 3.520 2.894 2.894 2.894 . 0 0 "[ ]" 1
1406 2 52 SER H 2 52 SER HA 2.980 2.530 3.520 2.894 2.894 2.894 . 0 0 "[ ]" 1
1407 1 52 SER H 1 52 SER QB 2.530 2.150 2.910 2.903 2.903 2.903 . 0 0 "[ ]" 1
1408 2 52 SER H 2 52 SER QB 2.530 2.150 2.910 2.903 2.903 2.903 . 0 0 "[ ]" 1
1409 1 52 SER HA 1 52 SER QB 2.050 . 2.360 2.150 2.150 2.150 . 0 0 "[ ]" 1
1410 2 52 SER HA 2 52 SER QB 2.050 . 2.360 2.149 2.149 2.149 . 0 0 "[ ]" 1
1411 1 52 SER HA 1 53 TYR H 2.210 . 2.540 2.140 2.140 2.140 . 0 0 "[ ]" 1
1412 2 52 SER HA 2 53 TYR H 2.210 . 2.540 2.142 2.142 2.142 . 0 0 "[ ]" 1
1413 1 52 SER HA 1 53 TYR QD 2.990 2.540 3.530 3.481 3.481 3.481 . 0 0 "[ ]" 1
1414 2 52 SER HA 2 53 TYR QD 2.990 2.540 3.530 3.486 3.486 3.486 . 0 0 "[ ]" 1
1415 1 52 SER QB 1 53 TYR H 2.990 2.540 3.530 3.159 3.159 3.159 . 0 0 "[ ]" 1
1416 2 52 SER QB 2 53 TYR H 2.990 2.540 3.530 3.159 3.159 3.159 . 0 0 "[ ]" 1
1417 1 52 SER QB 1 78 ALA MB 2.400 2.040 2.760 2.169 2.169 2.169 . 0 0 "[ ]" 1
1418 2 52 SER QB 2 78 ALA MB 2.400 2.040 2.760 2.167 2.167 2.167 . 0 0 "[ ]" 1
1419 1 53 TYR H 1 53 TYR HA 2.960 2.520 3.490 2.959 2.959 2.959 . 0 0 "[ ]" 1
1420 2 53 TYR H 2 53 TYR HA 2.960 2.520 3.490 2.959 2.959 2.959 . 0 0 "[ ]" 1
1421 1 53 TYR H 1 53 TYR HB2 2.690 2.290 3.110 2.539 2.539 2.539 . 0 0 "[ ]" 1
1422 2 53 TYR H 2 53 TYR HB2 2.690 2.290 3.110 2.543 2.543 2.543 . 0 0 "[ ]" 1
1423 1 53 TYR H 1 53 TYR HB3 3.680 3.130 4.550 3.701 3.701 3.701 . 0 0 "[ ]" 1
1424 2 53 TYR H 2 53 TYR HB3 3.680 3.130 4.550 3.703 3.703 3.703 . 0 0 "[ ]" 1
1425 1 53 TYR H 1 53 TYR QD 2.600 2.210 2.990 2.987 2.987 2.987 . 0 0 "[ ]" 1
1426 2 53 TYR H 2 53 TYR QD 2.600 2.210 2.990 2.993 2.993 2.993 0.003 1 0 "[ ]" 1
1427 1 53 TYR HA 1 53 TYR HB2 2.610 2.220 3.000 3.004 3.004 3.004 0.004 1 0 "[ ]" 1
1428 2 53 TYR HA 2 53 TYR HB2 2.610 2.220 3.000 3.004 3.004 3.004 0.004 1 0 "[ ]" 1
1429 1 53 TYR HA 1 53 TYR HB3 2.320 . 2.670 2.557 2.557 2.557 . 0 0 "[ ]" 1
1430 2 53 TYR HA 2 53 TYR HB3 2.320 . 2.670 2.556 2.556 2.556 . 0 0 "[ ]" 1
1431 1 53 TYR HA 1 53 TYR QD 2.720 2.310 3.150 3.065 3.065 3.065 . 0 0 "[ ]" 1
1432 2 53 TYR HA 2 53 TYR QD 2.720 2.310 3.150 3.064 3.064 3.064 . 0 0 "[ ]" 1
1433 1 53 TYR HA 1 54 GLN H 2.260 . 2.600 2.272 2.272 2.272 . 0 0 "[ ]" 1
1434 2 53 TYR HA 2 54 GLN H 2.260 . 2.600 2.273 2.273 2.273 . 0 0 "[ ]" 1
1435 1 53 TYR HA 1 77 ARG HA 2.180 . 2.510 2.359 2.359 2.359 . 0 0 "[ ]" 1
1436 2 53 TYR HA 2 77 ARG HA 2.180 . 2.510 2.361 2.361 2.361 . 0 0 "[ ]" 1
1437 1 53 TYR HA 1 78 ALA H 2.570 2.180 2.960 2.289 2.289 2.289 . 0 0 "[ ]" 1
1438 2 53 TYR HA 2 78 ALA H 2.570 2.180 2.960 2.291 2.291 2.291 . 0 0 "[ ]" 1
1439 1 53 TYR HA 1 78 ALA MB 2.890 2.460 3.390 2.848 2.848 2.848 . 0 0 "[ ]" 1
1440 2 53 TYR HA 2 78 ALA MB 2.890 2.460 3.390 2.869 2.869 2.869 . 0 0 "[ ]" 1
1441 1 53 TYR HB2 1 53 TYR QD 2.180 . 2.510 2.467 2.467 2.467 . 0 0 "[ ]" 1
1442 2 53 TYR HB2 2 53 TYR QD 2.180 . 2.510 2.467 2.467 2.467 . 0 0 "[ ]" 1
1443 1 53 TYR HB2 1 54 GLN H 3.180 2.700 3.800 3.872 3.872 3.872 0.072 1 0 "[ ]" 1
1444 2 53 TYR HB2 2 54 GLN H 3.180 2.700 3.800 3.869 3.869 3.869 0.069 1 0 "[ ]" 1
1445 1 53 TYR HB2 1 55 VAL MG2 2.630 2.240 3.030 2.709 2.709 2.709 . 0 0 "[ ]" 1
1446 2 53 TYR HB2 2 55 VAL MG2 2.630 2.240 3.030 2.707 2.707 2.707 . 0 0 "[ ]" 1
1447 1 53 TYR HB3 1 53 TYR QD 2.120 . 2.440 2.314 2.314 2.314 . 0 0 "[ ]" 1
1448 2 53 TYR HB3 2 53 TYR QD 2.120 . 2.440 2.313 2.313 2.313 . 0 0 "[ ]" 1
1449 1 53 TYR HB3 1 54 GLN H 2.860 2.430 3.350 2.608 2.608 2.608 . 0 0 "[ ]" 1
1450 2 53 TYR HB3 2 54 GLN H 2.860 2.430 3.350 2.604 2.604 2.604 . 0 0 "[ ]" 1
1451 1 53 TYR HB3 1 55 VAL MG2 2.550 2.170 2.930 2.405 2.405 2.405 . 0 0 "[ ]" 1
1452 2 53 TYR HB3 2 55 VAL MG2 2.550 2.170 2.930 2.408 2.408 2.408 . 0 0 "[ ]" 1
1453 1 53 TYR QD 1 75 MET HB3 3.520 3.020 4.210 4.314 4.314 4.314 0.104 1 0 "[ ]" 1
1454 2 53 TYR QD 2 75 MET HB3 3.520 3.020 4.210 4.318 4.318 4.318 0.108 1 0 "[ ]" 1
1455 1 53 TYR QD 1 75 MET HG3 2.810 2.390 3.280 2.632 2.632 2.632 . 0 0 "[ ]" 1
1456 2 53 TYR QD 2 75 MET HG3 2.810 2.390 3.280 2.634 2.634 2.634 . 0 0 "[ ]" 1
1457 1 53 TYR QD 1 75 MET ME 2.930 2.490 3.450 3.518 3.518 3.518 0.068 1 0 "[ ]" 1
1458 2 53 TYR QD 2 75 MET ME 2.930 2.490 3.450 3.520 3.520 3.520 0.070 1 0 "[ ]" 1
1459 1 53 TYR QD 1 77 ARG H 3.780 3.210 4.700 3.532 3.532 3.532 . 0 0 "[ ]" 1
1460 2 53 TYR QD 2 77 ARG H 3.780 3.210 4.700 3.497 3.497 3.497 . 0 0 "[ ]" 1
1461 1 53 TYR QD 1 77 ARG HA 2.560 2.180 2.940 2.922 2.922 2.922 . 0 0 "[ ]" 1
1462 2 53 TYR QD 2 77 ARG HA 2.560 2.180 2.940 2.925 2.925 2.925 . 0 0 "[ ]" 1
1463 1 53 TYR QD 1 78 ALA H 3.980 3.380 5.020 4.274 4.274 4.274 . 0 0 "[ ]" 1
1464 2 53 TYR QD 2 78 ALA H 3.980 3.380 5.020 4.275 4.275 4.275 . 0 0 "[ ]" 1
1465 1 53 TYR QE 1 75 MET ME 2.830 2.410 3.310 3.026 3.026 3.026 . 0 0 "[ ]" 1
1466 2 53 TYR QE 2 75 MET ME 2.830 2.410 3.310 3.028 3.028 3.028 . 0 0 "[ ]" 1
1467 1 53 TYR QE 1 77 ARG HA 3.510 2.980 4.290 3.594 3.594 3.594 . 0 0 "[ ]" 1
1468 2 53 TYR QE 2 77 ARG HA 3.510 2.980 4.290 3.593 3.593 3.593 . 0 0 "[ ]" 1
1469 1 53 TYR QE 1 77 ARG HB2 3.100 2.640 3.690 3.618 3.618 3.618 . 0 0 "[ ]" 1
1470 2 53 TYR QE 2 77 ARG HB2 3.100 2.640 3.690 3.621 3.621 3.621 . 0 0 "[ ]" 1
1471 1 53 TYR QE 1 77 ARG QG 2.730 2.320 3.170 2.348 2.348 2.348 . 0 0 "[ ]" 1
1472 2 53 TYR QE 2 77 ARG QG 2.730 2.320 3.170 2.344 2.344 2.344 . 0 0 "[ ]" 1
1473 1 53 TYR QE 1 77 ARG QD 3.600 3.060 4.430 3.964 3.964 3.964 . 0 0 "[ ]" 1
1474 2 53 TYR QE 2 77 ARG QD 3.600 3.060 4.430 3.968 3.968 3.968 . 0 0 "[ ]" 1
1475 1 54 GLN H 1 54 GLN HA 2.720 2.310 3.150 2.959 2.959 2.959 . 0 0 "[ ]" 1
1476 2 54 GLN H 2 54 GLN HA 2.720 2.310 3.150 2.958 2.958 2.958 . 0 0 "[ ]" 1
1477 1 54 GLN H 1 54 GLN QB 2.370 2.010 2.730 2.480 2.480 2.480 . 0 0 "[ ]" 1
1478 2 54 GLN H 2 54 GLN QB 2.370 2.010 2.730 2.476 2.476 2.476 . 0 0 "[ ]" 1
1479 1 54 GLN H 1 54 GLN HG3 3.200 2.720 3.830 2.926 2.926 2.926 . 0 0 "[ ]" 1
1480 2 54 GLN H 2 54 GLN HG3 3.200 2.720 3.830 2.933 2.933 2.933 . 0 0 "[ ]" 1
1481 1 54 GLN H 1 54 GLN HG2 3.220 2.740 3.860 3.704 3.704 3.704 . 0 0 "[ ]" 1
1482 2 54 GLN H 2 54 GLN HG2 3.220 2.740 3.860 3.687 3.687 3.687 . 0 0 "[ ]" 1
1483 1 54 GLN H 1 76 LYS H 2.870 2.440 3.360 2.733 2.733 2.733 . 0 0 "[ ]" 1
1484 2 54 GLN H 2 76 LYS H 2.870 2.440 3.360 2.688 2.688 2.688 . 0 0 "[ ]" 1
1485 1 54 GLN H 1 77 ARG HA 3.360 2.860 4.070 3.713 3.713 3.713 . 0 0 "[ ]" 1
1486 2 54 GLN H 2 77 ARG HA 3.360 2.860 4.070 3.722 3.722 3.722 . 0 0 "[ ]" 1
1487 1 54 GLN H 1 78 ALA H 3.560 3.030 4.370 3.957 3.957 3.957 . 0 0 "[ ]" 1
1488 2 54 GLN H 2 78 ALA H 3.560 3.030 4.370 3.963 3.963 3.963 . 0 0 "[ ]" 1
1489 1 54 GLN H 1 78 ALA MB 3.460 2.940 4.220 3.595 3.595 3.595 . 0 0 "[ ]" 1
1490 2 54 GLN H 2 78 ALA MB 3.460 2.940 4.220 3.616 3.616 3.616 . 0 0 "[ ]" 1
1491 1 54 GLN HA 1 54 GLN HG3 3.020 2.570 3.570 3.263 3.263 3.263 . 0 0 "[ ]" 1
1492 2 54 GLN HA 2 54 GLN HG3 3.020 2.570 3.570 3.271 3.271 3.271 . 0 0 "[ ]" 1
1493 1 54 GLN HA 1 55 VAL H 2.140 . 2.460 2.212 2.212 2.212 . 0 0 "[ ]" 1
1494 2 54 GLN HA 2 55 VAL H 2.140 . 2.460 2.214 2.214 2.214 . 0 0 "[ ]" 1
1495 1 54 GLN HA 1 78 ALA MB 3.750 3.190 4.660 4.303 4.303 4.303 . 0 0 "[ ]" 1
1496 2 54 GLN HA 2 78 ALA MB 3.750 3.190 4.660 4.308 4.308 4.308 . 0 0 "[ ]" 1
1497 1 54 GLN HB2 1 78 ALA MB 3.500 2.980 4.280 4.308 4.308 4.308 0.028 1 0 "[ ]" 1
1498 2 54 GLN HB2 2 78 ALA MB 3.500 2.980 4.280 4.317 4.317 4.317 0.037 1 0 "[ ]" 1
1499 1 54 GLN QB 1 55 VAL H 3.030 2.580 3.590 3.734 3.734 3.734 0.144 1 0 "[ ]" 1
1500 2 54 GLN QB 2 55 VAL H 3.030 2.580 3.590 3.738 3.738 3.738 0.148 1 0 "[ ]" 1
1501 1 54 GLN HE21 1 54 GLN HG3 3.670 3.120 4.530 3.605 3.605 3.605 . 0 0 "[ ]" 1
1502 2 54 GLN HE21 2 54 GLN HG3 3.670 3.120 4.530 3.602 3.602 3.602 . 0 0 "[ ]" 1
1503 1 54 GLN HE22 1 54 GLN HG3 3.350 2.850 4.050 4.111 4.111 4.111 0.061 1 0 "[ ]" 1
1504 2 54 GLN HE22 2 54 GLN HG3 3.350 2.850 4.050 4.106 4.106 4.106 0.056 1 0 "[ ]" 1
1505 1 54 GLN HG3 1 78 ALA HA 3.000 2.550 3.550 3.530 3.530 3.530 . 0 0 "[ ]" 1
1506 2 54 GLN HG3 2 78 ALA HA 3.000 2.550 3.550 3.534 3.534 3.534 . 0 0 "[ ]" 1
1507 1 54 GLN HG3 1 78 ALA MB 2.840 2.410 3.320 2.457 2.457 2.457 . 0 0 "[ ]" 1
1508 2 54 GLN HG3 2 78 ALA MB 2.840 2.410 3.320 2.471 2.471 2.471 . 0 0 "[ ]" 1
1509 1 54 GLN HE22 1 54 GLN HG2 3.740 3.180 4.640 3.801 3.801 3.801 . 0 0 "[ ]" 1
1510 2 54 GLN HE22 2 54 GLN HG2 3.740 3.180 4.640 3.805 3.805 3.805 . 0 0 "[ ]" 1
1511 1 54 GLN HG2 1 78 ALA MB 3.520 2.990 4.310 3.101 3.101 3.101 . 0 0 "[ ]" 1
1512 2 54 GLN HG2 2 78 ALA MB 3.520 2.990 4.310 3.091 3.091 3.091 . 0 0 "[ ]" 1
1513 1 54 GLN HE22 1 78 ALA MB 4.230 3.600 5.420 5.317 5.317 5.317 . 0 0 "[ ]" 1
1514 2 54 GLN HE22 2 78 ALA MB 4.230 3.600 5.420 5.320 5.320 5.320 . 0 0 "[ ]" 1
1515 1 55 VAL H 1 55 VAL HB 2.530 2.150 2.910 2.565 2.565 2.565 . 0 0 "[ ]" 1
1516 2 55 VAL H 2 55 VAL HB 2.530 2.150 2.910 2.567 2.567 2.567 . 0 0 "[ ]" 1
1517 1 55 VAL H 1 55 VAL MG1 3.400 2.890 4.130 3.745 3.745 3.745 . 0 0 "[ ]" 1
1518 2 55 VAL H 2 55 VAL MG1 3.400 2.890 4.130 3.744 3.744 3.744 . 0 0 "[ ]" 1
1519 1 55 VAL H 1 55 VAL MG2 2.660 2.220 3.190 2.155 2.155 2.155 0.065 1 0 "[ ]" 1
1520 2 55 VAL H 2 55 VAL MG2 2.660 2.220 3.190 2.152 2.152 2.152 0.068 1 0 "[ ]" 1
1521 1 55 VAL HA 1 55 VAL MG1 2.400 2.040 2.760 2.188 2.188 2.188 . 0 0 "[ ]" 1
1522 2 55 VAL HA 2 55 VAL MG1 2.400 2.040 2.760 2.185 2.185 2.185 . 0 0 "[ ]" 1
1523 1 55 VAL HA 1 55 VAL MG2 2.470 2.100 2.840 2.448 2.448 2.448 . 0 0 "[ ]" 1
1524 2 55 VAL HA 2 55 VAL MG2 2.470 2.100 2.840 2.451 2.451 2.451 . 0 0 "[ ]" 1
1525 1 55 VAL HA 1 56 PRO HD3 2.260 . 2.600 2.127 2.127 2.127 . 0 0 "[ ]" 1
1526 2 55 VAL HA 2 56 PRO HD3 2.260 . 2.600 2.127 2.127 2.127 . 0 0 "[ ]" 1
1527 1 55 VAL HA 1 56 PRO HD2 2.120 . 2.440 2.289 2.289 2.289 . 0 0 "[ ]" 1
1528 2 55 VAL HA 2 56 PRO HD2 2.120 . 2.440 2.284 2.284 2.284 . 0 0 "[ ]" 1
1529 1 55 VAL HA 1 75 MET HA 2.020 . 2.320 2.366 2.366 2.366 0.046 1 0 "[ ]" 1
1530 2 55 VAL HA 2 75 MET HA 2.020 . 2.320 2.354 2.354 2.354 0.034 1 0 "[ ]" 1
1531 1 55 VAL HA 1 75 MET HB3 2.650 2.250 3.060 2.372 2.372 2.372 . 0 0 "[ ]" 1
1532 2 55 VAL HA 2 75 MET HB3 2.650 2.250 3.060 2.381 2.381 2.381 . 0 0 "[ ]" 1
1533 1 55 VAL HA 1 75 MET HB2 2.560 2.180 2.940 2.680 2.680 2.680 . 0 0 "[ ]" 1
1534 2 55 VAL HA 2 75 MET HB2 2.560 2.180 2.940 2.678 2.678 2.678 . 0 0 "[ ]" 1
1535 1 55 VAL HA 1 76 LYS H 3.080 2.620 3.660 3.587 3.587 3.587 . 0 0 "[ ]" 1
1536 2 55 VAL HA 2 76 LYS H 3.080 2.620 3.660 3.564 3.564 3.564 . 0 0 "[ ]" 1
1537 1 55 VAL HB 1 55 VAL MG1 2.150 . 2.470 2.093 2.093 2.093 . 0 0 "[ ]" 1
1538 2 55 VAL HB 2 55 VAL MG1 2.150 . 2.470 2.092 2.092 2.092 . 0 0 "[ ]" 1
1539 1 55 VAL HB 1 55 VAL MG2 2.040 . 2.350 2.087 2.087 2.087 . 0 0 "[ ]" 1
1540 2 55 VAL HB 2 55 VAL MG2 2.040 . 2.350 2.088 2.088 2.088 . 0 0 "[ ]" 1
1541 1 55 VAL MG1 1 56 PRO HD3 2.900 2.460 3.410 3.191 3.191 3.191 . 0 0 "[ ]" 1
1542 2 55 VAL MG1 2 56 PRO HD3 2.900 2.460 3.410 3.186 3.186 3.186 . 0 0 "[ ]" 1
1543 1 55 VAL MG1 1 70 PHE HA 3.060 2.600 3.630 2.947 2.947 2.947 . 0 0 "[ ]" 1
1544 2 55 VAL MG1 2 70 PHE HA 3.060 2.600 3.630 2.948 2.948 2.948 . 0 0 "[ ]" 1
1545 1 55 VAL MG1 1 70 PHE HB3 2.370 2.010 2.730 2.056 2.056 2.056 . 0 0 "[ ]" 1
1546 2 55 VAL MG1 2 70 PHE HB3 2.370 2.010 2.730 2.057 2.057 2.057 . 0 0 "[ ]" 1
1547 1 55 VAL MG1 1 70 PHE HB2 3.090 2.630 3.670 3.503 3.503 3.503 . 0 0 "[ ]" 1
1548 2 55 VAL MG1 2 70 PHE HB2 3.090 2.630 3.670 3.505 3.505 3.505 . 0 0 "[ ]" 1
1549 1 55 VAL MG1 1 70 PHE QD 2.540 2.160 2.920 2.205 2.205 2.205 . 0 0 "[ ]" 1
1550 2 55 VAL MG1 2 70 PHE QD 2.540 2.160 2.920 2.200 2.200 2.200 . 0 0 "[ ]" 1
1551 1 55 VAL MG1 1 71 ASP H 3.240 2.750 3.890 2.732 2.732 2.732 0.018 1 0 "[ ]" 1
1552 2 55 VAL MG1 2 71 ASP H 3.240 2.750 3.890 2.735 2.735 2.735 0.015 1 0 "[ ]" 1
1553 1 55 VAL MG1 1 72 PHE QD 3.070 2.610 3.640 2.578 2.578 2.578 0.032 1 0 "[ ]" 1
1554 2 55 VAL MG1 2 72 PHE QD 3.070 2.610 3.640 2.577 2.577 2.577 0.033 1 0 "[ ]" 1
1555 1 55 VAL MG1 1 72 PHE QE 2.950 2.510 3.480 2.713 2.713 2.713 . 0 0 "[ ]" 1
1556 2 55 VAL MG1 2 72 PHE QE 2.950 2.510 3.480 2.721 2.721 2.721 . 0 0 "[ ]" 1
1557 1 55 VAL MG1 1 75 MET HB3 3.000 2.550 3.550 2.501 2.501 2.501 0.049 1 0 "[ ]" 1
1558 2 55 VAL MG1 2 75 MET HB3 3.000 2.550 3.550 2.505 2.505 2.505 0.045 1 0 "[ ]" 1
1559 1 55 VAL MG1 1 75 MET HB2 2.970 2.520 3.500 3.576 3.576 3.576 0.076 1 0 "[ ]" 1
1560 2 55 VAL MG1 2 75 MET HB2 2.970 2.520 3.500 3.574 3.574 3.574 0.074 1 0 "[ ]" 1
1561 1 55 VAL MG1 1 75 MET HG2 3.410 2.900 4.140 4.171 4.171 4.171 0.031 1 0 "[ ]" 1
1562 2 55 VAL MG1 2 75 MET HG2 3.410 2.900 4.140 4.173 4.173 4.173 0.033 1 0 "[ ]" 1
1563 1 55 VAL MG2 1 72 PHE QE 3.030 2.580 3.590 2.665 2.665 2.665 . 0 0 "[ ]" 1
1564 2 55 VAL MG2 2 72 PHE QE 3.030 2.580 3.590 2.666 2.666 2.666 . 0 0 "[ ]" 1
1565 1 55 VAL MG2 1 75 MET HB3 3.020 2.570 3.570 2.681 2.681 2.681 . 0 0 "[ ]" 1
1566 2 55 VAL MG2 2 75 MET HB3 3.020 2.570 3.570 2.674 2.674 2.674 . 0 0 "[ ]" 1
1567 1 55 VAL MG2 1 75 MET HB2 2.930 2.490 3.450 2.387 2.387 2.387 0.103 1 0 "[ ]" 1
1568 2 55 VAL MG2 2 75 MET HB2 2.930 2.490 3.450 2.382 2.382 2.382 0.108 1 0 "[ ]" 1
1569 1 56 PRO HA 1 56 PRO HB2 2.660 2.260 3.070 2.716 2.716 2.716 . 0 0 "[ ]" 1
1570 2 56 PRO HA 2 56 PRO HB2 2.660 2.260 3.070 2.716 2.716 2.716 . 0 0 "[ ]" 1
1571 1 56 PRO HA 1 56 PRO HB3 2.220 . 2.550 2.291 2.291 2.291 . 0 0 "[ ]" 1
1572 2 56 PRO HA 2 56 PRO HB3 2.220 . 2.550 2.290 2.290 2.290 . 0 0 "[ ]" 1
1573 1 56 PRO HA 1 57 TYR H 2.220 . 2.550 2.203 2.203 2.203 . 0 0 "[ ]" 1
1574 2 56 PRO HA 2 57 TYR H 2.220 . 2.550 2.203 2.203 2.203 . 0 0 "[ ]" 1
1575 1 56 PRO HB2 1 57 TYR H 3.960 3.370 4.980 3.859 3.859 3.859 . 0 0 "[ ]" 1
1576 2 56 PRO HB2 2 57 TYR H 3.960 3.370 4.980 3.859 3.859 3.859 . 0 0 "[ ]" 1
1577 1 56 PRO HB2 1 71 ASP HB3 2.540 2.160 3.040 3.141 3.141 3.141 0.101 1 0 "[ ]" 1
1578 2 56 PRO HB2 2 71 ASP HB3 2.540 2.160 3.040 3.134 3.134 3.134 0.094 1 0 "[ ]" 1
1579 1 56 PRO HB2 1 74 ALA MB 3.080 2.620 3.660 3.684 3.684 3.684 0.024 1 0 "[ ]" 1
1580 2 56 PRO HB2 2 74 ALA MB 3.080 2.620 3.660 3.684 3.684 3.684 0.024 1 0 "[ ]" 1
1581 1 56 PRO HD3 1 74 ALA MB 3.290 2.800 3.970 3.591 3.591 3.591 . 0 0 "[ ]" 1
1582 2 56 PRO HD3 2 74 ALA MB 3.290 2.800 3.970 3.598 3.598 3.598 . 0 0 "[ ]" 1
1583 1 56 PRO HD3 1 75 MET H 3.670 3.120 4.530 3.834 3.834 3.834 . 0 0 "[ ]" 1
1584 2 56 PRO HD3 2 75 MET H 3.670 3.120 4.530 3.848 3.848 3.848 . 0 0 "[ ]" 1
1585 1 56 PRO HD2 1 74 ALA MB 3.040 2.580 3.600 3.557 3.557 3.557 . 0 0 "[ ]" 1
1586 2 56 PRO HD2 2 74 ALA MB 3.040 2.580 3.600 3.568 3.568 3.568 . 0 0 "[ ]" 1
1587 1 56 PRO HD2 1 75 MET HA 2.470 2.100 2.840 2.841 2.841 2.841 0.001 1 0 "[ ]" 1
1588 2 56 PRO HD2 2 75 MET HA 2.470 2.100 2.840 2.820 2.820 2.820 . 0 0 "[ ]" 1
1589 1 57 TYR H 1 57 TYR HA 3.160 2.690 3.780 2.952 2.952 2.952 . 0 0 "[ ]" 1
1590 2 57 TYR H 2 57 TYR HA 3.160 2.690 3.780 2.952 2.952 2.952 . 0 0 "[ ]" 1
1591 1 57 TYR H 1 57 TYR HB3 3.280 2.790 3.950 2.860 2.860 2.860 . 0 0 "[ ]" 1
1592 2 57 TYR H 2 57 TYR HB3 3.280 2.790 3.950 2.859 2.859 2.859 . 0 0 "[ ]" 1
1593 1 57 TYR H 1 57 TYR QD 2.780 2.360 3.240 2.476 2.476 2.476 . 0 0 "[ ]" 1
1594 2 57 TYR H 2 57 TYR QD 2.780 2.360 3.240 2.477 2.477 2.477 . 0 0 "[ ]" 1
1595 1 57 TYR HA 1 57 TYR HB2 2.310 . 2.660 2.387 2.387 2.387 . 0 0 "[ ]" 1
1596 2 57 TYR HA 2 57 TYR HB2 2.310 . 2.660 2.388 2.388 2.388 . 0 0 "[ ]" 1
1597 1 57 TYR HA 1 57 TYR HB3 2.410 2.050 2.770 2.488 2.488 2.488 . 0 0 "[ ]" 1
1598 2 57 TYR HA 2 57 TYR HB3 2.410 2.050 2.770 2.489 2.489 2.489 . 0 0 "[ ]" 1
1599 1 57 TYR HA 1 57 TYR QD 3.280 2.790 3.950 3.708 3.708 3.708 . 0 0 "[ ]" 1
1600 2 57 TYR HA 2 57 TYR QD 3.280 2.790 3.950 3.708 3.708 3.708 . 0 0 "[ ]" 1
1601 1 57 TYR HA 1 58 ARG H 2.330 . 2.680 2.356 2.356 2.356 . 0 0 "[ ]" 1
1602 2 57 TYR HA 2 58 ARG H 2.330 . 2.680 2.356 2.356 2.356 . 0 0 "[ ]" 1
1603 1 57 TYR HA 1 70 PHE HA 2.180 . 2.510 2.336 2.336 2.336 . 0 0 "[ ]" 1
1604 2 57 TYR HA 2 70 PHE HA 2.180 . 2.510 2.333 2.333 2.333 . 0 0 "[ ]" 1
1605 1 57 TYR HA 1 71 ASP H 3.220 2.740 3.860 2.792 2.792 2.792 . 0 0 "[ ]" 1
1606 2 57 TYR HA 2 71 ASP H 3.220 2.740 3.860 2.787 2.787 2.787 . 0 0 "[ ]" 1
1607 1 57 TYR HB2 1 57 TYR QD 2.360 2.010 2.710 2.415 2.415 2.415 . 0 0 "[ ]" 1
1608 2 57 TYR HB2 2 57 TYR QD 2.360 2.010 2.710 2.416 2.416 2.416 . 0 0 "[ ]" 1
1609 1 57 TYR HB2 1 58 ARG H 2.660 2.260 3.070 2.375 2.375 2.375 . 0 0 "[ ]" 1
1610 2 57 TYR HB2 2 58 ARG H 2.660 2.260 3.070 2.376 2.376 2.376 . 0 0 "[ ]" 1
1611 1 57 TYR HB2 1 70 PHE QD 3.030 2.580 3.590 3.471 3.471 3.471 . 0 0 "[ ]" 1
1612 2 57 TYR HB2 2 70 PHE QD 3.030 2.580 3.590 3.472 3.472 3.472 . 0 0 "[ ]" 1
1613 1 57 TYR HB3 1 57 TYR QD 2.380 2.020 2.740 2.370 2.370 2.370 . 0 0 "[ ]" 1
1614 2 57 TYR HB3 2 57 TYR QD 2.380 2.020 2.740 2.369 2.369 2.369 . 0 0 "[ ]" 1
1615 1 57 TYR HB3 1 58 ARG H 3.220 2.740 3.860 3.762 3.762 3.762 . 0 0 "[ ]" 1
1616 2 57 TYR HB3 2 58 ARG H 3.220 2.740 3.860 3.763 3.763 3.763 . 0 0 "[ ]" 1
1617 1 57 TYR HB3 1 70 PHE HA 2.670 2.270 3.090 2.932 2.932 2.932 . 0 0 "[ ]" 1
1618 2 57 TYR HB3 2 70 PHE HA 2.670 2.270 3.090 2.929 2.929 2.929 . 0 0 "[ ]" 1
1619 1 57 TYR HB3 1 70 PHE QD 2.720 2.310 3.150 2.276 2.276 2.276 0.034 1 0 "[ ]" 1
1620 2 57 TYR HB3 2 70 PHE QD 2.720 2.310 3.150 2.277 2.277 2.277 0.033 1 0 "[ ]" 1
1621 1 57 TYR QD 1 58 ARG H 3.280 2.790 3.950 2.960 2.960 2.960 . 0 0 "[ ]" 1
1622 2 57 TYR QD 2 58 ARG H 3.280 2.790 3.950 2.961 2.961 2.961 . 0 0 "[ ]" 1
1623 1 57 TYR QD 1 58 ARG HA 3.100 2.640 3.690 3.167 3.167 3.167 . 0 0 "[ ]" 1
1624 2 57 TYR QD 2 58 ARG HA 3.100 2.640 3.690 3.165 3.165 3.165 . 0 0 "[ ]" 1
1625 1 58 ARG H 1 58 ARG HA 2.780 2.360 3.240 2.925 2.925 2.925 . 0 0 "[ ]" 1
1626 2 58 ARG H 2 58 ARG HA 2.780 2.360 3.240 2.926 2.926 2.926 . 0 0 "[ ]" 1
1627 1 58 ARG H 1 58 ARG HB3 3.200 2.720 3.830 3.912 3.912 3.912 0.082 1 0 "[ ]" 1
1628 2 58 ARG H 2 58 ARG HB3 3.200 2.720 3.830 3.913 3.913 3.913 0.083 1 0 "[ ]" 1
1629 1 58 ARG H 1 58 ARG HB2 3.430 2.920 4.170 3.117 3.117 3.117 . 0 0 "[ ]" 1
1630 2 58 ARG H 2 58 ARG HB2 3.430 2.920 4.170 3.118 3.118 3.118 . 0 0 "[ ]" 1
1631 1 58 ARG H 1 58 ARG HG2 3.710 3.150 4.600 3.641 3.641 3.641 . 0 0 "[ ]" 1
1632 2 58 ARG H 2 58 ARG HG2 3.710 3.150 4.600 3.643 3.643 3.643 . 0 0 "[ ]" 1
1633 1 58 ARG H 1 58 ARG HG3 2.980 2.530 3.520 2.513 2.513 2.513 0.017 1 0 "[ ]" 1
1634 2 58 ARG H 2 58 ARG HG3 2.980 2.530 3.520 2.514 2.514 2.514 0.016 1 0 "[ ]" 1
1635 1 58 ARG H 1 69 ALA MB 3.530 3.000 4.320 3.215 3.215 3.215 . 0 0 "[ ]" 1
1636 2 58 ARG H 2 69 ALA MB 3.530 3.000 4.320 3.215 3.215 3.215 . 0 0 "[ ]" 1
1637 1 58 ARG HA 1 58 ARG HB3 2.590 2.200 2.980 2.279 2.279 2.279 . 0 0 "[ ]" 1
1638 2 58 ARG HA 2 58 ARG HB3 2.590 2.200 2.980 2.278 2.278 2.278 . 0 0 "[ ]" 1
1639 1 58 ARG HA 1 58 ARG HB2 2.530 2.150 2.910 2.962 2.962 2.962 0.052 1 0 "[ ]" 1
1640 2 58 ARG HA 2 58 ARG HB2 2.530 2.150 2.910 2.962 2.962 2.962 0.052 1 0 "[ ]" 1
1641 1 58 ARG HA 1 59 ILE H 2.300 . 2.640 2.420 2.420 2.420 . 0 0 "[ ]" 1
1642 2 58 ARG HA 2 59 ILE H 2.300 . 2.640 2.419 2.419 2.419 . 0 0 "[ ]" 1
1643 1 58 ARG HB3 1 58 ARG HG2 2.530 2.150 2.910 2.401 2.401 2.401 . 0 0 "[ ]" 1
1644 2 58 ARG HB3 2 58 ARG HG2 2.530 2.150 2.910 2.400 2.400 2.400 . 0 0 "[ ]" 1
1645 1 58 ARG HB3 1 58 ARG QD 2.870 2.440 3.360 2.430 2.430 2.430 0.010 1 0 "[ ]" 1
1646 2 58 ARG HB3 2 58 ARG QD 2.870 2.440 3.360 2.430 2.430 2.430 0.010 1 0 "[ ]" 1
1647 1 58 ARG HB2 1 58 ARG QD 2.820 2.400 3.290 2.386 2.386 2.386 0.014 1 0 "[ ]" 1
1648 2 58 ARG HB2 2 58 ARG QD 2.820 2.400 3.290 2.385 2.385 2.385 0.015 1 0 "[ ]" 1
1649 1 58 ARG HB2 1 69 ALA MB 3.330 2.830 4.020 2.907 2.907 2.907 . 0 0 "[ ]" 1
1650 2 58 ARG HB2 2 69 ALA MB 3.330 2.830 4.020 2.907 2.907 2.907 . 0 0 "[ ]" 1
1651 1 58 ARG QD 1 58 ARG HG2 2.600 2.210 2.990 2.442 2.442 2.442 . 0 0 "[ ]" 1
1652 2 58 ARG QD 2 58 ARG HG2 2.600 2.210 2.990 2.443 2.443 2.443 . 0 0 "[ ]" 1
1653 1 58 ARG QD 1 69 ALA MB 3.500 2.980 4.280 3.402 3.402 3.402 . 0 0 "[ ]" 1
1654 2 58 ARG QD 2 69 ALA MB 3.500 2.980 4.280 3.402 3.402 3.402 . 0 0 "[ ]" 1
1655 1 59 ILE HA 1 60 ASN H 2.140 . 2.460 2.175 2.175 2.175 . 0 0 "[ ]" 1
1656 2 59 ILE HA 2 60 ASN H 2.140 . 2.460 2.175 2.175 2.175 . 0 0 "[ ]" 1
1657 1 59 ILE MG 1 60 ASN H 2.840 2.410 3.320 3.090 3.090 3.090 . 0 0 "[ ]" 1
1658 2 59 ILE MG 2 60 ASN H 2.840 2.410 3.320 3.090 3.090 3.090 . 0 0 "[ ]" 1
1659 1 59 ILE MG 1 67 GLU H 3.080 2.620 3.660 3.103 3.103 3.103 . 0 0 "[ ]" 1
1660 2 59 ILE MG 2 67 GLU H 3.080 2.620 3.660 3.106 3.106 3.106 . 0 0 "[ ]" 1
1661 1 60 ASN H 1 60 ASN HA 2.720 2.310 3.150 2.936 2.936 2.936 . 0 0 "[ ]" 1
1662 2 60 ASN H 2 60 ASN HA 2.720 2.310 3.150 2.936 2.936 2.936 . 0 0 "[ ]" 1
1663 1 60 ASN H 1 60 ASN HB2 2.830 2.410 3.310 2.324 2.324 2.324 0.086 1 0 "[ ]" 1
1664 2 60 ASN H 2 60 ASN HB2 2.830 2.410 3.310 2.322 2.322 2.322 0.088 1 0 "[ ]" 1
1665 1 60 ASN H 1 60 ASN HB3 2.960 2.520 3.490 3.164 3.164 3.164 . 0 0 "[ ]" 1
1666 2 60 ASN H 2 60 ASN HB3 2.960 2.520 3.490 3.162 3.162 3.162 . 0 0 "[ ]" 1
1667 1 60 ASN H 1 67 GLU H 2.950 2.510 3.480 3.516 3.516 3.516 0.036 1 0 "[ ]" 1
1668 2 60 ASN H 2 67 GLU H 2.950 2.510 3.480 3.516 3.516 3.516 0.036 1 0 "[ ]" 1
1669 1 60 ASN HA 1 60 ASN HB2 2.420 2.060 3.080 2.803 2.803 2.803 . 0 0 "[ ]" 1
1670 2 60 ASN HA 2 60 ASN HB2 2.420 2.060 3.080 2.803 2.803 2.803 . 0 0 "[ ]" 1
1671 1 60 ASN HA 1 60 ASN HB3 2.440 2.070 2.810 2.880 2.880 2.880 0.070 1 0 "[ ]" 1
1672 2 60 ASN HA 2 60 ASN HB3 2.440 2.070 2.810 2.881 2.881 2.881 0.071 1 0 "[ ]" 1
1673 1 60 ASN HA 1 61 VAL H 2.440 2.070 2.810 2.312 2.312 2.312 . 0 0 "[ ]" 1
1674 2 60 ASN HA 2 61 VAL H 2.440 2.070 2.810 2.313 2.313 2.313 . 0 0 "[ ]" 1
1675 1 60 ASN HB2 1 60 ASN HD22 3.600 3.060 4.430 3.702 3.702 3.702 . 0 0 "[ ]" 1
1676 2 60 ASN HB2 2 60 ASN HD22 3.600 3.060 4.430 3.701 3.701 3.701 . 0 0 "[ ]" 1
1677 1 60 ASN HB2 1 60 ASN HD21 3.160 2.690 3.780 2.739 2.739 2.739 . 0 0 "[ ]" 1
1678 2 60 ASN HB2 2 60 ASN HD21 3.160 2.690 3.780 2.737 2.737 2.737 . 0 0 "[ ]" 1
1679 1 60 ASN HB3 1 60 ASN HD22 3.980 3.380 5.020 4.093 4.093 4.093 . 0 0 "[ ]" 1
1680 2 60 ASN HB3 2 60 ASN HD22 3.980 3.380 5.020 4.093 4.093 4.093 . 0 0 "[ ]" 1
1681 1 60 ASN HB3 1 60 ASN HD21 3.380 2.870 4.100 3.537 3.537 3.537 . 0 0 "[ ]" 1
1682 2 60 ASN HB3 2 60 ASN HD21 3.380 2.870 4.100 3.537 3.537 3.537 . 0 0 "[ ]" 1
1683 1 60 ASN HB3 1 61 VAL H 2.810 2.390 3.280 3.057 3.057 3.057 . 0 0 "[ ]" 1
1684 2 60 ASN HB3 2 61 VAL H 2.810 2.390 3.280 3.058 3.058 3.058 . 0 0 "[ ]" 1
1685 1 61 VAL H 1 61 VAL HA 2.960 2.520 3.490 2.954 2.954 2.954 . 0 0 "[ ]" 1
1686 2 61 VAL H 2 61 VAL HA 2.960 2.520 3.490 2.952 2.952 2.952 . 0 0 "[ ]" 1
1687 1 61 VAL H 1 61 VAL QG 2.640 2.240 3.040 2.763 2.763 2.763 . 0 0 "[ ]" 1
1688 2 61 VAL H 2 61 VAL QG 2.640 2.240 3.040 2.761 2.761 2.761 . 0 0 "[ ]" 1
1689 1 61 VAL HA 1 61 VAL HB 2.630 2.240 3.030 3.016 3.016 3.016 . 0 0 "[ ]" 1
1690 2 61 VAL HA 2 61 VAL HB 2.630 2.240 3.030 3.015 3.015 3.015 . 0 0 "[ ]" 1
1691 1 61 VAL HA 1 61 VAL MG2 2.380 2.020 2.740 2.374 2.374 2.374 . 0 0 "[ ]" 1
1692 2 61 VAL HA 2 61 VAL QG . 2.020 2.310 2.120 2.120 2.120 . 0 0 "[ ]" 1
1693 1 61 VAL HA 1 61 VAL MG1 2.330 . 2.680 2.384 2.384 2.384 . 0 0 "[ ]" 1
1694 1 61 VAL HA 1 61 VAL QG 2.010 . 2.310 2.120 2.120 2.120 . 0 0 "[ ]" 1
1695 1 61 VAL HA 1 62 ASN H 2.220 . 2.550 2.119 2.119 2.119 . 0 0 "[ ]" 1
1696 2 61 VAL HA 2 62 ASN H 2.220 . 2.550 2.120 2.120 2.120 . 0 0 "[ ]" 1
1697 1 61 VAL HA 1 65 ARG H 3.910 3.320 4.910 3.988 3.988 3.988 . 0 0 "[ ]" 1
1698 2 61 VAL HA 2 65 ARG H 3.910 3.320 4.910 3.986 3.986 3.986 . 0 0 "[ ]" 1
1699 1 61 VAL HA 1 66 PRO HA 2.180 . 2.510 2.487 2.487 2.487 . 0 0 "[ ]" 1
1700 2 61 VAL HA 2 66 PRO HA 2.180 . 2.510 2.489 2.489 2.489 . 0 0 "[ ]" 1
1701 1 61 VAL HA 1 67 GLU H 3.000 2.550 3.550 2.979 2.979 2.979 . 0 0 "[ ]" 1
1702 2 61 VAL HA 2 67 GLU H 3.000 2.550 3.550 2.978 2.978 2.978 . 0 0 "[ ]" 1
1703 1 61 VAL HB 1 61 VAL MG2 2.170 . 2.500 2.119 2.119 2.119 . 0 0 "[ ]" 1
1704 2 61 VAL HB 2 61 VAL QG 2.170 . 2.210 1.881 1.881 1.881 . 0 0 "[ ]" 1
1705 1 61 VAL HB 1 61 VAL MG1 2.170 . 2.500 2.103 2.103 2.103 . 0 0 "[ ]" 1
1706 1 61 VAL HB 1 61 VAL QG 1.920 . 2.210 1.881 1.881 1.881 . 0 0 "[ ]" 1
1707 1 61 VAL MG2 1 66 PRO HA 2.570 2.180 2.960 2.481 2.481 2.481 . 0 0 "[ ]" 1
1708 2 61 VAL QG 2 66 PRO HA 2.570 2.550 2.680 2.440 2.440 2.440 0.110 1 0 "[ ]" 1
1709 1 61 VAL MG2 1 66 PRO QB 3.230 2.750 3.880 2.868 2.868 2.868 . 0 0 "[ ]" 1
1710 2 61 VAL QG 2 66 PRO QB 3.230 2.750 3.880 2.827 2.827 2.827 . 0 0 "[ ]" 1
1711 1 61 VAL MG1 1 62 ASN HA 3.270 2.780 3.940 3.829 3.829 3.829 . 0 0 "[ ]" 1
1712 2 61 VAL QG 2 62 ASN HA 3.270 2.780 3.940 3.769 3.769 3.769 . 0 0 "[ ]" 1
1713 1 61 VAL MG1 1 64 GLY H 2.830 2.410 3.310 2.668 2.668 2.668 . 0 0 "[ ]" 1
1714 2 61 VAL QG 2 64 GLY H 2.830 2.410 3.310 2.660 2.660 2.660 . 0 0 "[ ]" 1
1715 1 61 VAL MG1 1 64 GLY HA2 2.700 2.300 3.120 2.493 2.493 2.493 . 0 0 "[ ]" 1
1716 2 61 VAL QG 2 64 GLY HA2 2.700 2.300 3.120 2.481 2.481 2.481 . 0 0 "[ ]" 1
1717 1 61 VAL MG1 1 64 GLY HA3 3.330 2.830 4.020 3.814 3.814 3.814 . 0 0 "[ ]" 1
1718 2 61 VAL QG 2 64 GLY HA3 3.330 2.830 4.020 3.773 3.773 3.773 . 0 0 "[ ]" 1
1719 1 61 VAL MG1 1 65 ARG H 3.140 2.670 3.750 2.590 2.590 2.590 0.080 1 0 "[ ]" 1
1720 2 61 VAL QG 2 65 ARG H 3.140 2.670 3.750 2.578 2.578 2.578 0.092 1 0 "[ ]" 1
1721 1 61 VAL MG1 1 66 PRO HA 3.000 2.550 3.550 3.615 3.615 3.615 0.065 1 0 "[ ]" 1
1722 1 61 VAL QG 1 62 ASN H 2.740 2.330 3.180 2.810 2.810 2.810 . 0 0 "[ ]" 1
1723 2 61 VAL QG 2 62 ASN H 2.740 2.330 3.180 2.816 2.816 2.816 . 0 0 "[ ]" 1
1724 1 61 VAL QG 1 63 ASN H 3.610 3.070 4.440 4.334 4.334 4.334 . 0 0 "[ ]" 1
1725 2 61 VAL QG 2 63 ASN H 3.610 3.070 4.440 4.334 4.334 4.334 . 0 0 "[ ]" 1
1726 1 61 VAL QG 1 66 PRO HA 2.330 . 2.680 2.440 2.440 2.440 . 0 0 "[ ]" 1
1727 1 62 ASN H 1 62 ASN HA 3.160 2.690 3.780 2.952 2.952 2.952 . 0 0 "[ ]" 1
1728 2 62 ASN H 2 62 ASN HA 3.160 2.690 3.780 2.952 2.952 2.952 . 0 0 "[ ]" 1
1729 1 62 ASN H 1 62 ASN HB2 2.880 2.450 3.380 2.790 2.790 2.790 . 0 0 "[ ]" 1
1730 2 62 ASN H 2 62 ASN HB2 2.880 2.450 3.380 2.792 2.792 2.792 . 0 0 "[ ]" 1
1731 1 62 ASN H 1 62 ASN HB3 2.870 2.440 3.360 2.723 2.723 2.723 . 0 0 "[ ]" 1
1732 2 62 ASN H 2 62 ASN HB3 2.870 2.440 3.360 2.722 2.722 2.722 . 0 0 "[ ]" 1
1733 1 62 ASN H 1 65 ARG H 2.840 2.410 3.320 2.973 2.973 2.973 . 0 0 "[ ]" 1
1734 2 62 ASN H 2 65 ARG H 2.840 2.410 3.320 2.972 2.972 2.972 . 0 0 "[ ]" 1
1735 1 62 ASN H 1 65 ARG HB3 3.780 3.210 4.700 4.427 4.427 4.427 . 0 0 "[ ]" 1
1736 2 62 ASN H 2 65 ARG HB3 3.780 3.210 4.700 4.428 4.428 4.428 . 0 0 "[ ]" 1
1737 1 62 ASN H 1 66 PRO HA 3.320 2.820 4.010 3.932 3.932 3.932 . 0 0 "[ ]" 1
1738 2 62 ASN H 2 66 PRO HA 3.320 2.820 4.010 3.933 3.933 3.933 . 0 0 "[ ]" 1
1739 1 62 ASN H 1 67 GLU QG 3.720 3.160 4.610 3.126 3.126 3.126 0.034 1 0 "[ ]" 1
1740 2 62 ASN H 2 67 GLU QG 3.720 3.160 4.610 3.127 3.127 3.127 0.033 1 0 "[ ]" 1
1741 1 62 ASN HA 1 62 ASN HB2 2.340 . 2.690 2.555 2.555 2.555 . 0 0 "[ ]" 1
1742 2 62 ASN HA 2 62 ASN HB2 2.340 . 2.690 2.555 2.555 2.555 . 0 0 "[ ]" 1
1743 1 62 ASN HA 1 62 ASN HB3 2.470 2.100 2.840 2.992 2.992 2.992 0.152 1 0 "[ ]" 1
1744 2 62 ASN HA 2 62 ASN HB3 2.470 2.100 2.840 2.991 2.991 2.991 0.151 1 0 "[ ]" 1
1745 1 62 ASN HA 1 63 ASN H 2.270 . 2.610 2.154 2.154 2.154 . 0 0 "[ ]" 1
1746 2 62 ASN HA 2 63 ASN H 2.270 . 2.610 2.154 2.154 2.154 . 0 0 "[ ]" 1
1747 1 62 ASN HA 1 64 GLY H 3.620 3.080 4.460 3.506 3.506 3.506 . 0 0 "[ ]" 1
1748 2 62 ASN HA 2 64 GLY H 3.620 3.080 4.460 3.505 3.505 3.505 . 0 0 "[ ]" 1
1749 1 62 ASN HB2 1 62 ASN HD21 3.690 3.140 4.570 3.157 3.157 3.157 . 0 0 "[ ]" 1
1750 2 62 ASN HB2 2 62 ASN HD21 3.690 3.140 4.570 3.155 3.155 3.155 . 0 0 "[ ]" 1
1751 1 62 ASN HB2 1 62 ASN HD22 3.430 2.920 4.170 3.908 3.908 3.908 . 0 0 "[ ]" 1
1752 2 62 ASN HB2 2 62 ASN HD22 3.430 2.920 4.170 3.908 3.908 3.908 . 0 0 "[ ]" 1
1753 1 62 ASN HB2 1 63 ASN H 3.590 3.050 4.410 4.267 4.267 4.267 . 0 0 "[ ]" 1
1754 2 62 ASN HB2 2 63 ASN H 3.590 3.050 4.410 4.267 4.267 4.267 . 0 0 "[ ]" 1
1755 1 62 ASN HB2 1 67 GLU QG 3.710 3.150 4.600 3.972 3.972 3.972 . 0 0 "[ ]" 1
1756 2 62 ASN HB2 2 67 GLU QG 3.710 3.150 4.600 3.975 3.975 3.975 . 0 0 "[ ]" 1
1757 1 62 ASN HB3 1 62 ASN HD22 3.190 2.710 3.820 3.458 3.458 3.458 . 0 0 "[ ]" 1
1758 2 62 ASN HB3 2 62 ASN HD22 3.190 2.710 3.820 3.459 3.459 3.459 . 0 0 "[ ]" 1
1759 1 62 ASN HB3 1 67 GLU QG 3.760 3.200 4.670 3.407 3.407 3.407 . 0 0 "[ ]" 1
1760 2 62 ASN HB3 2 67 GLU QG 3.760 3.200 4.670 3.408 3.408 3.408 . 0 0 "[ ]" 1
1761 1 63 ASN H 1 63 ASN HA 2.270 . 2.610 2.272 2.272 2.272 . 0 0 "[ ]" 1
1762 2 63 ASN H 2 63 ASN HA 2.270 . 2.610 2.273 2.273 2.273 . 0 0 "[ ]" 1
1763 1 63 ASN H 1 63 ASN HB2 3.040 2.580 3.600 3.673 3.673 3.673 0.073 1 0 "[ ]" 1
1764 2 63 ASN H 2 63 ASN HB2 3.040 2.580 3.600 3.674 3.674 3.674 0.074 1 0 "[ ]" 1
1765 1 63 ASN H 1 63 ASN HB3 3.540 3.010 4.340 2.896 2.896 2.896 0.114 1 0 "[ ]" 1
1766 2 63 ASN H 2 63 ASN HB3 3.540 3.010 4.340 2.897 2.897 2.897 0.113 1 0 "[ ]" 1
1767 1 63 ASN H 1 64 GLY H 2.880 2.450 3.380 2.822 2.822 2.822 . 0 0 "[ ]" 1
1768 2 63 ASN H 2 64 GLY H 2.880 2.450 3.380 2.823 2.823 2.823 . 0 0 "[ ]" 1
1769 1 63 ASN HA 1 63 ASN HB2 2.590 2.200 2.980 2.236 2.236 2.236 . 0 0 "[ ]" 1
1770 2 63 ASN HA 2 63 ASN HB2 2.590 2.200 2.980 2.236 2.236 2.236 . 0 0 "[ ]" 1
1771 1 63 ASN HA 1 63 ASN HB3 2.390 2.030 2.750 2.730 2.730 2.730 . 0 0 "[ ]" 1
1772 2 63 ASN HA 2 63 ASN HB3 2.390 2.030 2.750 2.730 2.730 2.730 . 0 0 "[ ]" 1
1773 1 63 ASN HA 1 64 GLY H 2.660 2.260 3.070 2.972 2.972 2.972 . 0 0 "[ ]" 1
1774 2 63 ASN HA 2 64 GLY H 2.660 2.260 3.070 2.972 2.972 2.972 . 0 0 "[ ]" 1
1775 1 63 ASN HB2 1 63 ASN HD21 3.770 3.200 4.690 3.593 3.593 3.593 . 0 0 "[ ]" 1
1776 2 63 ASN HB2 2 63 ASN HD21 3.770 3.200 4.690 3.593 3.593 3.593 . 0 0 "[ ]" 1
1777 1 63 ASN HB2 1 63 ASN HD22 3.210 2.730 3.850 4.114 4.114 4.114 0.264 1 0 "[ ]" 1
1778 2 63 ASN HB2 2 63 ASN HD22 3.210 2.730 3.850 4.115 4.115 4.115 0.265 1 0 "[ ]" 1
1779 1 63 ASN HB3 1 63 ASN HD22 3.650 3.100 4.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
1780 2 63 ASN HB3 2 63 ASN HD22 3.650 3.100 4.500 3.648 3.648 3.648 . 0 0 "[ ]" 1
1781 1 64 GLY H 1 64 GLY HA2 2.350 . 2.700 2.335 2.335 2.335 . 0 0 "[ ]" 1
1782 2 64 GLY H 2 64 GLY HA2 2.350 . 2.700 2.335 2.335 2.335 . 0 0 "[ ]" 1
1783 1 64 GLY H 1 64 GLY HA3 2.590 2.200 2.980 2.910 2.910 2.910 . 0 0 "[ ]" 1
1784 2 64 GLY H 2 64 GLY HA3 2.590 2.200 2.980 2.911 2.911 2.911 . 0 0 "[ ]" 1
1785 1 64 GLY H 1 65 ARG H 2.910 2.470 3.420 2.423 2.423 2.423 0.047 1 0 "[ ]" 1
1786 2 64 GLY H 2 65 ARG H 2.910 2.470 3.420 2.423 2.423 2.423 0.047 1 0 "[ ]" 1
1787 1 64 GLY HA2 1 65 ARG H 3.440 2.920 4.190 3.119 3.119 3.119 . 0 0 "[ ]" 1
1788 2 64 GLY HA2 2 65 ARG H 3.440 2.920 4.190 3.117 3.117 3.117 . 0 0 "[ ]" 1
1789 1 64 GLY HA3 1 65 ARG H 3.270 2.780 3.940 3.436 3.436 3.436 . 0 0 "[ ]" 1
1790 2 64 GLY HA3 2 65 ARG H 3.270 2.780 3.940 3.437 3.437 3.437 . 0 0 "[ ]" 1
1791 1 65 ARG H 1 65 ARG HB2 2.740 2.330 3.180 2.451 2.451 2.451 . 0 0 "[ ]" 1
1792 2 65 ARG H 2 65 ARG HB2 2.740 2.330 3.180 2.452 2.452 2.452 . 0 0 "[ ]" 1
1793 1 65 ARG H 1 65 ARG HB3 3.060 2.600 3.630 3.523 3.523 3.523 . 0 0 "[ ]" 1
1794 2 65 ARG H 2 65 ARG HB3 3.060 2.600 3.630 3.524 3.524 3.524 . 0 0 "[ ]" 1
1795 1 65 ARG H 1 65 ARG QG 3.280 2.790 3.950 3.561 3.561 3.561 . 0 0 "[ ]" 1
1796 2 65 ARG H 2 65 ARG QG 3.280 2.790 3.950 3.562 3.562 3.562 . 0 0 "[ ]" 1
1797 1 65 ARG HA 1 65 ARG HB2 2.620 2.230 3.020 2.946 2.946 2.946 . 0 0 "[ ]" 1
1798 2 65 ARG HA 2 65 ARG HB2 2.620 2.230 3.020 2.946 2.946 2.946 . 0 0 "[ ]" 1
1799 1 65 ARG HA 1 65 ARG HB3 2.420 2.060 2.780 2.711 2.711 2.711 . 0 0 "[ ]" 1
1800 2 65 ARG HA 2 65 ARG HB3 2.420 2.060 2.780 2.711 2.711 2.711 . 0 0 "[ ]" 1
1801 1 65 ARG HA 1 65 ARG HG3 2.910 2.470 3.420 2.462 2.462 2.462 0.008 1 0 "[ ]" 1
1802 2 65 ARG HA 2 65 ARG HG3 2.910 2.470 3.420 2.462 2.462 2.462 0.008 1 0 "[ ]" 1
1803 1 65 ARG HA 1 65 ARG HG2 2.640 2.240 3.050 2.483 2.483 2.483 . 0 0 "[ ]" 1
1804 2 65 ARG HA 2 65 ARG HG2 2.640 2.240 3.050 2.483 2.483 2.483 . 0 0 "[ ]" 1
1805 1 65 ARG HA 1 65 ARG QD 3.360 2.860 4.070 4.019 4.019 4.019 . 0 0 "[ ]" 1
1806 2 65 ARG HA 2 65 ARG QD 3.360 2.860 4.070 4.019 4.019 4.019 . 0 0 "[ ]" 1
1807 1 65 ARG HA 1 66 PRO HD3 2.060 . 2.370 2.257 2.257 2.257 . 0 0 "[ ]" 1
1808 2 65 ARG HA 2 66 PRO HD3 2.060 . 2.370 2.256 2.256 2.256 . 0 0 "[ ]" 1
1809 1 65 ARG HA 1 66 PRO HD2 2.240 . 2.580 2.244 2.244 2.244 . 0 0 "[ ]" 1
1810 2 65 ARG HA 2 66 PRO HD2 2.240 . 2.580 2.244 2.244 2.244 . 0 0 "[ ]" 1
1811 1 65 ARG HB2 1 65 ARG QD 3.010 2.560 3.560 2.547 2.547 2.547 0.013 1 0 "[ ]" 1
1812 2 65 ARG HB2 2 65 ARG QD 3.010 2.560 3.560 2.548 2.548 2.548 0.012 1 0 "[ ]" 1
1813 1 65 ARG HB3 1 65 ARG QD 2.960 2.520 3.490 3.135 3.135 3.135 . 0 0 "[ ]" 1
1814 2 65 ARG HB3 2 65 ARG QD 2.960 2.520 3.490 3.134 3.134 3.134 . 0 0 "[ ]" 1
1815 1 65 ARG HB3 1 66 PRO HD2 2.870 2.440 3.360 3.212 3.212 3.212 . 0 0 "[ ]" 1
1816 2 65 ARG HB3 2 66 PRO HD2 2.870 2.440 3.360 3.213 3.213 3.213 . 0 0 "[ ]" 1
1817 1 65 ARG QD 1 65 ARG HG3 2.640 2.240 3.040 2.191 2.191 2.191 0.049 1 0 "[ ]" 1
1818 2 65 ARG QD 2 65 ARG HG3 2.640 2.240 3.040 2.190 2.190 2.190 0.050 1 0 "[ ]" 1
1819 1 65 ARG QD 1 65 ARG HG2 2.640 2.240 3.040 2.300 2.300 2.300 . 0 0 "[ ]" 1
1820 2 65 ARG QD 2 65 ARG HG2 2.640 2.240 3.040 2.299 2.299 2.299 . 0 0 "[ ]" 1
1821 1 66 PRO HA 1 66 PRO QB 1.950 . 2.240 2.164 2.164 2.164 . 0 0 "[ ]" 1
1822 2 66 PRO HA 2 66 PRO QB 1.950 . 2.240 2.164 2.164 2.164 . 0 0 "[ ]" 1
1823 1 66 PRO HA 1 66 PRO HG3 2.950 2.510 3.980 3.979 3.979 3.979 . 0 0 "[ ]" 1
1824 2 66 PRO HA 2 66 PRO QG 2.950 2.510 3.980 3.503 3.503 3.503 . 0 0 "[ ]" 1
1825 1 66 PRO HA 1 67 GLU H 2.200 . 2.530 2.201 2.201 2.201 . 0 0 "[ ]" 1
1826 2 66 PRO HA 2 67 GLU H 2.200 . 2.530 2.201 2.201 2.201 . 0 0 "[ ]" 1
1827 1 66 PRO QB 1 66 PRO HD3 2.570 2.180 2.960 2.988 2.988 2.988 0.028 1 0 "[ ]" 1
1828 2 66 PRO QB 2 66 PRO HD3 2.570 2.180 2.960 2.987 2.987 2.987 0.027 1 0 "[ ]" 1
1829 1 66 PRO QB 1 67 GLU H 3.390 2.880 4.110 3.459 3.459 3.459 . 0 0 "[ ]" 1
1830 2 66 PRO QB 2 67 GLU H 3.390 2.880 4.110 3.461 3.461 3.461 . 0 0 "[ ]" 1
1831 1 66 PRO HD3 1 66 PRO HG3 2.450 2.080 2.820 2.280 2.280 2.280 . 0 0 "[ ]" 1
1832 2 66 PRO HD3 2 66 PRO QG 2.450 2.350 2.820 2.209 2.209 2.209 0.141 1 0 "[ ]" 1
1833 1 66 PRO HD3 1 66 PRO HG2 2.760 2.350 3.210 2.962 2.962 2.962 . 0 0 "[ ]" 1
1834 1 66 PRO HD2 1 66 PRO HG2 2.560 2.180 2.940 2.288 2.288 2.288 . 0 0 "[ ]" 1
1835 2 66 PRO HD2 2 66 PRO QG 2.560 2.180 2.940 2.180 2.180 2.180 . 1 0 "[ ]" 1
1836 1 67 GLU H 1 67 GLU HB2 2.910 2.470 3.420 2.791 2.791 2.791 . 0 0 "[ ]" 1
1837 2 67 GLU H 2 67 GLU HB2 2.910 2.470 3.420 2.789 2.789 2.789 . 0 0 "[ ]" 1
1838 1 67 GLU H 1 67 GLU HB3 3.330 2.830 4.020 3.868 3.868 3.868 . 0 0 "[ ]" 1
1839 2 67 GLU H 2 67 GLU HB3 3.330 2.830 4.020 3.866 3.866 3.866 . 0 0 "[ ]" 1
1840 1 67 GLU H 1 67 GLU QG 3.380 2.870 4.100 2.980 2.980 2.980 . 0 0 "[ ]" 1
1841 2 67 GLU H 2 67 GLU QG 3.380 2.870 4.100 2.979 2.979 2.979 . 0 0 "[ ]" 1
1842 1 67 GLU HA 1 67 GLU HB2 2.370 2.010 2.730 2.990 2.990 2.990 0.260 1 0 "[ ]" 1
1843 2 67 GLU HA 2 67 GLU HB2 2.370 2.010 2.730 2.990 2.990 2.990 0.260 1 0 "[ ]" 1
1844 1 67 GLU HA 1 67 GLU HB3 2.330 . 2.680 2.411 2.411 2.411 . 0 0 "[ ]" 1
1845 2 67 GLU HA 2 67 GLU HB3 2.330 . 2.680 2.412 2.412 2.412 . 0 0 "[ ]" 1
1846 1 67 GLU HA 1 67 GLU QG 2.990 2.540 3.530 2.420 2.420 2.420 0.120 1 0 "[ ]" 1
1847 2 67 GLU HA 2 67 GLU QG 2.990 2.540 3.530 2.419 2.419 2.419 0.121 1 0 "[ ]" 1
1848 1 68 LEU HA 1 69 ALA H 2.150 . 2.470 2.161 2.161 2.161 . 0 0 "[ ]" 1
1849 2 68 LEU HA 2 69 ALA H 2.150 . 2.470 2.160 2.160 2.160 . 0 0 "[ ]" 1
1850 1 68 LEU HB3 1 69 ALA H 3.270 2.780 3.940 3.027 3.027 3.027 . 0 0 "[ ]" 1
1851 2 68 LEU HB3 2 69 ALA H 3.270 2.780 3.940 3.026 3.026 3.026 . 0 0 "[ ]" 1
1852 1 68 LEU HB2 1 69 ALA H 3.840 3.260 4.800 4.085 4.085 4.085 . 0 0 "[ ]" 1
1853 2 68 LEU HB2 2 69 ALA H 3.840 3.260 4.800 4.083 4.083 4.083 . 0 0 "[ ]" 1
1854 1 69 ALA H 1 69 ALA HA 3.020 2.570 3.570 2.957 2.957 2.957 . 0 0 "[ ]" 1
1855 2 69 ALA H 2 69 ALA HA 3.020 2.570 3.570 2.955 2.955 2.955 . 0 0 "[ ]" 1
1856 1 69 ALA H 1 69 ALA MB 2.780 2.360 3.240 2.394 2.394 2.394 . 0 0 "[ ]" 1
1857 2 69 ALA H 2 69 ALA MB 2.780 2.360 3.240 2.394 2.394 2.394 . 0 0 "[ ]" 1
1858 1 69 ALA HA 1 69 ALA MB 2.110 . 2.430 2.122 2.122 2.122 . 0 0 "[ ]" 1
1859 2 69 ALA HA 2 69 ALA MB 2.110 . 2.430 2.123 2.123 2.123 . 0 0 "[ ]" 1
1860 1 69 ALA MB 1 70 PHE H 3.060 2.600 3.630 3.411 3.411 3.411 . 0 0 "[ ]" 1
1861 2 69 ALA MB 2 70 PHE H 3.060 2.600 3.630 3.412 3.412 3.412 . 0 0 "[ ]" 1
1862 1 70 PHE H 1 70 PHE HB3 3.380 2.870 4.100 3.619 3.619 3.619 . 0 0 "[ ]" 1
1863 2 70 PHE H 2 70 PHE HB3 3.380 2.870 4.100 3.620 3.620 3.620 . 0 0 "[ ]" 1
1864 1 70 PHE H 1 70 PHE HB2 2.910 2.470 3.420 2.445 2.445 2.445 0.025 1 0 "[ ]" 1
1865 2 70 PHE H 2 70 PHE HB2 2.910 2.470 3.420 2.446 2.446 2.446 0.024 1 0 "[ ]" 1
1866 1 70 PHE H 1 70 PHE QD 2.920 2.480 3.430 2.423 2.423 2.423 0.057 1 0 "[ ]" 1
1867 2 70 PHE H 2 70 PHE QD 2.920 2.480 3.430 2.421 2.421 2.421 0.059 1 0 "[ ]" 1
1868 1 70 PHE HA 1 70 PHE HB3 2.270 . 2.610 2.463 2.463 2.463 . 0 0 "[ ]" 1
1869 2 70 PHE HA 2 70 PHE HB3 2.270 . 2.610 2.463 2.463 2.463 . 0 0 "[ ]" 1
1870 1 70 PHE HA 1 70 PHE QD 2.490 2.120 2.860 2.815 2.815 2.815 . 0 0 "[ ]" 1
1871 2 70 PHE HA 2 70 PHE QD 2.490 2.120 2.860 2.814 2.814 2.814 . 0 0 "[ ]" 1
1872 1 70 PHE HB3 1 70 PHE QD 2.510 2.130 2.890 2.428 2.428 2.428 . 0 0 "[ ]" 1
1873 2 70 PHE HB3 2 70 PHE QD 2.510 2.130 2.890 2.426 2.426 2.426 . 0 0 "[ ]" 1
1874 1 70 PHE HB3 1 71 ASP H 3.120 2.650 3.720 3.265 3.265 3.265 . 0 0 "[ ]" 1
1875 2 70 PHE HB3 2 71 ASP H 3.120 2.650 3.720 3.267 3.267 3.267 . 0 0 "[ ]" 1
1876 1 70 PHE HB2 1 70 PHE QD 2.450 2.080 2.820 2.370 2.370 2.370 . 0 0 "[ ]" 1
1877 2 70 PHE HB2 2 70 PHE QD 2.450 2.080 2.820 2.368 2.368 2.368 . 0 0 "[ ]" 1
1878 1 70 PHE HB2 1 72 PHE HZ 4.010 3.410 5.060 3.350 3.350 3.350 0.060 1 0 "[ ]" 1
1879 2 70 PHE HB2 2 72 PHE HZ 4.010 3.410 5.060 3.351 3.351 3.351 0.059 1 0 "[ ]" 1
1880 1 70 PHE QD 1 71 ASP H 3.890 3.310 4.870 4.067 4.067 4.067 . 0 0 "[ ]" 1
1881 2 70 PHE QD 2 71 ASP H 3.890 3.310 4.870 4.067 4.067 4.067 . 0 0 "[ ]" 1
1882 1 71 ASP H 1 71 ASP HA 3.240 2.750 3.890 2.926 2.926 2.926 . 0 0 "[ ]" 1
1883 2 71 ASP H 2 71 ASP HA 3.240 2.750 3.890 2.927 2.927 2.927 . 0 0 "[ ]" 1
1884 1 71 ASP H 1 71 ASP HB2 2.770 2.350 3.220 2.800 2.800 2.800 . 0 0 "[ ]" 1
1885 2 71 ASP H 2 71 ASP HB2 2.770 2.350 3.220 2.801 2.801 2.801 . 0 0 "[ ]" 1
1886 1 71 ASP H 1 71 ASP HB3 2.780 2.360 3.240 2.432 2.432 2.432 . 0 0 "[ ]" 1
1887 2 71 ASP H 2 71 ASP HB3 2.780 2.360 3.240 2.430 2.430 2.430 . 0 0 "[ ]" 1
1888 1 71 ASP HA 1 71 ASP HB2 2.370 2.010 2.730 2.439 2.439 2.439 . 0 0 "[ ]" 1
1889 2 71 ASP HA 2 71 ASP HB2 2.370 2.010 2.730 2.439 2.439 2.439 . 0 0 "[ ]" 1
1890 1 71 ASP HA 1 71 ASP HB3 2.720 2.310 3.160 3.030 3.030 3.030 . 0 0 "[ ]" 1
1891 2 71 ASP HA 2 71 ASP HB3 2.720 2.310 3.160 3.029 3.029 3.029 . 0 0 "[ ]" 1
1892 1 71 ASP HA 1 72 PHE H 2.200 . 2.530 2.263 2.263 2.263 . 0 0 "[ ]" 1
1893 2 71 ASP HA 2 72 PHE H 2.200 . 2.530 2.264 2.264 2.264 . 0 0 "[ ]" 1
1894 1 71 ASP HA 1 73 LYS H 3.350 2.850 4.050 3.196 3.196 3.196 . 0 0 "[ ]" 1
1895 2 71 ASP HA 2 73 LYS H 3.350 2.850 4.050 3.199 3.199 3.199 . 0 0 "[ ]" 1
1896 1 71 ASP HB2 1 72 PHE H 3.810 3.240 4.750 4.554 4.554 4.554 . 0 0 "[ ]" 1
1897 2 71 ASP HB2 2 72 PHE H 3.810 3.240 4.750 4.554 4.554 4.554 . 0 0 "[ ]" 1
1898 1 71 ASP HB2 1 74 ALA MB 3.970 3.370 5.000 4.178 4.178 4.178 . 0 0 "[ ]" 1
1899 2 71 ASP HB2 2 74 ALA MB 3.970 3.370 5.000 4.185 4.185 4.185 . 0 0 "[ ]" 1
1900 1 71 ASP HB3 1 74 ALA MB 3.040 2.580 3.600 3.132 3.132 3.132 . 0 0 "[ ]" 1
1901 2 71 ASP HB3 2 74 ALA MB 3.040 2.580 3.600 3.145 3.145 3.145 . 0 0 "[ ]" 1
1902 1 72 PHE H 1 72 PHE HB2 2.540 2.160 2.920 2.386 2.386 2.386 . 0 0 "[ ]" 1
1903 2 72 PHE H 2 72 PHE HB2 2.540 2.160 2.920 2.380 2.380 2.380 . 0 0 "[ ]" 1
1904 1 72 PHE H 1 72 PHE HB3 3.050 2.590 3.620 3.571 3.571 3.571 . 0 0 "[ ]" 1
1905 2 72 PHE H 2 72 PHE HB3 3.050 2.590 3.620 3.569 3.569 3.569 . 0 0 "[ ]" 1
1906 1 72 PHE H 1 72 PHE QD 3.420 2.910 4.160 3.155 3.155 3.155 . 0 0 "[ ]" 1
1907 2 72 PHE H 2 72 PHE QD 3.420 2.910 4.160 3.153 3.153 3.153 . 0 0 "[ ]" 1
1908 1 72 PHE H 1 73 LYS H 2.620 2.230 3.020 2.640 2.640 2.640 . 0 0 "[ ]" 1
1909 2 72 PHE H 2 73 LYS H 2.620 2.230 3.020 2.638 2.638 2.638 . 0 0 "[ ]" 1
1910 1 72 PHE HA 1 72 PHE HB2 2.560 2.180 2.940 3.006 3.006 3.006 0.066 1 0 "[ ]" 1
1911 2 72 PHE HA 2 72 PHE HB2 2.560 2.180 2.940 3.004 3.004 3.004 0.064 1 0 "[ ]" 1
1912 1 72 PHE HA 1 72 PHE HB3 2.200 . 2.530 2.497 2.497 2.497 . 0 0 "[ ]" 1
1913 2 72 PHE HA 2 72 PHE HB3 2.200 . 2.530 2.497 2.497 2.497 . 0 0 "[ ]" 1
1914 1 72 PHE HA 1 72 PHE QD 2.460 2.090 2.830 2.061 2.061 2.061 0.029 1 0 "[ ]" 1
1915 2 72 PHE HA 2 72 PHE QD 2.460 2.090 2.830 2.061 2.061 2.061 0.029 1 0 "[ ]" 1
1916 1 72 PHE HA 1 75 MET HB3 2.840 2.410 3.320 2.701 2.701 2.701 . 0 0 "[ ]" 1
1917 2 72 PHE HA 2 75 MET HB3 2.840 2.410 3.320 2.689 2.689 2.689 . 0 0 "[ ]" 1
1918 1 72 PHE HA 1 75 MET HG2 2.840 2.410 3.320 2.520 2.520 2.520 . 0 0 "[ ]" 1
1919 2 72 PHE HA 2 75 MET HG2 2.840 2.410 3.320 2.519 2.519 2.519 . 0 0 "[ ]" 1
1920 1 72 PHE HA 1 75 MET ME 2.760 2.350 3.210 3.257 3.257 3.257 0.047 1 0 "[ ]" 1
1921 2 72 PHE HA 2 75 MET ME 2.760 2.350 3.210 3.254 3.254 3.254 0.044 1 0 "[ ]" 1
1922 1 72 PHE HB2 1 72 PHE QD 2.780 2.360 3.240 2.310 2.310 2.310 0.050 1 0 "[ ]" 1
1923 2 72 PHE HB2 2 72 PHE QD 2.780 2.360 3.240 2.306 2.306 2.306 0.054 1 0 "[ ]" 1
1924 1 72 PHE HB2 1 73 LYS H 3.370 2.860 4.080 3.362 3.362 3.362 . 0 0 "[ ]" 1
1925 2 72 PHE HB2 2 73 LYS H 3.370 2.860 4.080 3.355 3.355 3.355 . 0 0 "[ ]" 1
1926 1 72 PHE HB2 1 75 MET ME 3.350 2.850 4.050 3.975 3.975 3.975 . 0 0 "[ ]" 1
1927 2 72 PHE HB2 2 75 MET ME 3.350 2.850 4.050 3.981 3.981 3.981 . 0 0 "[ ]" 1
1928 1 72 PHE HB3 1 72 PHE QD 3.100 2.640 3.690 2.695 2.695 2.695 . 0 0 "[ ]" 1
1929 2 72 PHE HB3 2 72 PHE QD 3.100 2.640 3.690 2.698 2.698 2.698 . 0 0 "[ ]" 1
1930 1 72 PHE HB3 1 75 MET ME 2.720 2.310 3.150 2.390 2.390 2.390 . 0 0 "[ ]" 1
1931 2 72 PHE HB3 2 75 MET ME 2.720 2.310 3.150 2.396 2.396 2.396 . 0 0 "[ ]" 1
1932 1 72 PHE QD 1 75 MET ME 3.080 2.620 3.660 3.151 3.151 3.151 . 0 0 "[ ]" 1
1933 2 72 PHE QD 2 75 MET ME 3.080 2.620 3.660 3.151 3.151 3.151 . 0 0 "[ ]" 1
1934 1 73 LYS H 1 73 LYS HA 2.640 2.240 3.040 2.878 2.878 2.878 . 0 0 "[ ]" 1
1935 2 73 LYS H 2 73 LYS HA 2.640 2.240 3.040 2.879 2.879 2.879 . 0 0 "[ ]" 1
1936 1 73 LYS H 1 73 LYS QB 2.360 2.010 2.710 2.243 2.243 2.243 . 0 0 "[ ]" 1
1937 2 73 LYS H 2 73 LYS QB 2.360 2.010 2.710 2.239 2.239 2.239 . 0 0 "[ ]" 1
1938 1 73 LYS H 1 73 LYS HG3 3.540 3.010 4.340 3.909 3.909 3.909 . 0 0 "[ ]" 1
1939 2 73 LYS H 2 73 LYS HG3 3.540 3.010 4.340 3.910 3.910 3.910 . 0 0 "[ ]" 1
1940 1 73 LYS H 1 73 LYS HG2 2.970 2.520 3.500 3.718 3.718 3.718 0.218 1 0 "[ ]" 1
1941 2 73 LYS H 2 73 LYS HG2 2.970 2.520 3.500 3.719 3.719 3.719 0.219 1 0 "[ ]" 1
1942 1 73 LYS H 1 74 ALA H 2.430 2.060 2.800 2.421 2.421 2.421 . 0 0 "[ ]" 1
1943 2 73 LYS H 2 74 ALA H 2.430 2.060 2.800 2.425 2.425 2.425 . 0 0 "[ ]" 1
1944 1 73 LYS H 1 74 ALA MB 3.960 3.370 4.980 4.131 4.131 4.131 . 0 0 "[ ]" 1
1945 2 73 LYS H 2 74 ALA MB 3.960 3.370 4.980 4.141 4.141 4.141 . 0 0 "[ ]" 1
1946 1 73 LYS HA 1 73 LYS HG3 2.670 2.270 3.090 2.590 2.590 2.590 . 0 0 "[ ]" 1
1947 2 73 LYS HA 2 73 LYS HG3 2.670 2.270 3.090 2.592 2.592 2.592 . 0 0 "[ ]" 1
1948 1 73 LYS HA 1 73 LYS HG2 3.240 2.750 3.890 3.678 3.678 3.678 . 0 0 "[ ]" 1
1949 2 73 LYS HA 2 73 LYS HG2 3.240 2.750 3.890 3.680 3.680 3.680 . 0 0 "[ ]" 1
1950 1 73 LYS HA 1 74 ALA H 3.120 2.650 3.720 3.459 3.459 3.459 . 0 0 "[ ]" 1
1951 2 73 LYS HA 2 74 ALA H 3.120 2.650 3.720 3.458 3.458 3.458 . 0 0 "[ ]" 1
1952 1 73 LYS HA 1 75 MET H 3.980 3.380 5.020 4.130 4.130 4.130 . 0 0 "[ ]" 1
1953 2 73 LYS HA 2 75 MET H 3.980 3.380 5.020 4.121 4.121 4.121 . 0 0 "[ ]" 1
1954 1 73 LYS QB 1 74 ALA H 2.870 2.440 3.360 2.974 2.974 2.974 . 0 0 "[ ]" 1
1955 2 73 LYS QB 2 74 ALA H 2.870 2.440 3.360 2.983 2.983 2.983 . 0 0 "[ ]" 1
1956 1 74 ALA H 1 74 ALA HA 2.800 2.380 3.260 2.956 2.956 2.956 . 0 0 "[ ]" 1
1957 2 74 ALA H 2 74 ALA HA 2.800 2.380 3.260 2.957 2.957 2.957 . 0 0 "[ ]" 1
1958 1 74 ALA H 1 74 ALA MB 2.650 2.250 3.060 2.345 2.345 2.345 . 0 0 "[ ]" 1
1959 2 74 ALA H 2 74 ALA MB 2.650 2.250 3.060 2.361 2.361 2.361 . 0 0 "[ ]" 1
1960 1 74 ALA HA 1 75 MET H 2.960 2.520 3.490 3.163 3.163 3.163 . 0 0 "[ ]" 1
1961 2 74 ALA HA 2 75 MET H 2.960 2.520 3.490 3.151 3.151 3.151 . 0 0 "[ ]" 1
1962 1 74 ALA MB 1 75 MET H 3.360 2.860 4.070 3.488 3.488 3.488 . 0 0 "[ ]" 1
1963 2 74 ALA MB 2 75 MET H 3.360 2.860 4.070 3.505 3.505 3.505 . 0 0 "[ ]" 1
1964 1 75 MET H 1 75 MET HA 2.740 2.330 3.180 2.868 2.868 2.868 . 0 0 "[ ]" 1
1965 2 75 MET H 2 75 MET HA 2.740 2.330 3.180 2.869 2.869 2.869 . 0 0 "[ ]" 1
1966 1 75 MET H 1 75 MET HB3 2.720 2.310 3.150 2.671 2.671 2.671 . 0 0 "[ ]" 1
1967 2 75 MET H 2 75 MET HB3 2.720 2.310 3.150 2.683 2.683 2.683 . 0 0 "[ ]" 1
1968 1 75 MET H 1 75 MET HG2 2.650 2.250 3.060 2.212 2.212 2.212 0.038 1 0 "[ ]" 1
1969 2 75 MET H 2 75 MET HG2 2.650 2.250 3.060 2.212 2.212 2.212 0.038 1 0 "[ ]" 1
1970 1 75 MET HA 1 76 LYS H 2.340 . 2.690 2.171 2.171 2.171 . 0 0 "[ ]" 1
1971 2 75 MET HA 2 76 LYS H 2.340 . 2.690 2.188 2.188 2.188 . 0 0 "[ ]" 1
1972 1 75 MET HB3 1 75 MET HG2 2.390 2.030 2.750 2.346 2.346 2.346 . 0 0 "[ ]" 1
1973 2 75 MET HB3 2 75 MET HG2 2.390 2.030 2.750 2.339 2.339 2.339 . 0 0 "[ ]" 1
1974 1 75 MET HB3 1 76 LYS H 3.190 2.710 3.820 3.958 3.958 3.958 0.138 1 0 "[ ]" 1
1975 2 75 MET HB3 2 76 LYS H 3.190 2.710 3.820 3.949 3.949 3.949 0.129 1 0 "[ ]" 1
1976 1 75 MET HB2 1 75 MET HG2 2.580 2.190 2.970 2.995 2.995 2.995 0.025 1 0 "[ ]" 1
1977 2 75 MET HB2 2 75 MET HG2 2.580 2.190 2.970 2.993 2.993 2.993 0.023 1 0 "[ ]" 1
1978 1 75 MET HB2 1 76 LYS H 2.940 2.500 3.460 2.862 2.862 2.862 . 0 0 "[ ]" 1
1979 2 75 MET HB2 2 76 LYS H 2.940 2.500 3.460 2.835 2.835 2.835 . 0 0 "[ ]" 1
1980 1 75 MET ME 1 75 MET HG3 2.530 2.150 2.910 2.657 2.657 2.657 . 0 0 "[ ]" 1
1981 2 75 MET ME 2 75 MET HG3 2.530 2.150 2.910 2.654 2.654 2.654 . 0 0 "[ ]" 1
1982 1 75 MET ME 1 75 MET HG2 2.680 2.280 3.100 2.397 2.397 2.397 . 0 0 "[ ]" 1
1983 2 75 MET ME 2 75 MET HG2 2.680 2.280 3.100 2.384 2.384 2.384 . 0 0 "[ ]" 1
1984 1 76 LYS H 1 76 LYS HA 2.830 2.410 3.310 2.951 2.951 2.951 . 0 0 "[ ]" 1
1985 2 76 LYS H 2 76 LYS HA 2.830 2.410 3.310 2.952 2.952 2.952 . 0 0 "[ ]" 1
1986 1 76 LYS H 1 76 LYS HB3 2.890 2.460 3.390 3.464 3.464 3.464 0.074 1 0 "[ ]" 1
1987 2 76 LYS H 2 76 LYS HB3 2.890 2.460 3.390 3.472 3.472 3.472 0.082 1 0 "[ ]" 1
1988 1 76 LYS H 1 77 ARG H 3.720 3.160 4.610 4.424 4.424 4.424 . 0 0 "[ ]" 1
1989 2 76 LYS H 2 77 ARG H 3.720 3.160 4.610 4.407 4.407 4.407 . 0 0 "[ ]" 1
1990 1 76 LYS HA 1 76 LYS HB2 2.570 2.190 2.950 2.961 2.961 2.961 0.011 1 0 "[ ]" 1
1991 2 76 LYS HA 2 76 LYS HB2 2.570 2.190 2.950 2.956 2.956 2.956 0.006 1 0 "[ ]" 1
1992 1 76 LYS HA 1 76 LYS HB3 2.470 2.100 2.840 2.707 2.707 2.707 . 0 0 "[ ]" 1
1993 2 76 LYS HA 2 76 LYS HB3 2.470 2.100 2.840 2.706 2.706 2.706 . 0 0 "[ ]" 1
1994 1 76 LYS HA 1 76 LYS QG 2.720 2.310 3.160 2.256 2.256 2.256 0.054 1 0 "[ ]" 1
1995 2 76 LYS HA 2 76 LYS QG 2.720 2.310 3.160 2.248 2.248 2.248 0.062 1 0 "[ ]" 1
1996 1 76 LYS HA 1 76 LYS QD 3.480 2.960 4.250 3.972 3.972 3.972 . 0 0 "[ ]" 1
1997 2 76 LYS HA 2 76 LYS QD 3.480 2.960 4.250 3.967 3.967 3.967 . 0 0 "[ ]" 1
1998 1 76 LYS HA 1 77 ARG H 2.260 . 2.600 2.188 2.188 2.188 . 0 0 "[ ]" 1
1999 2 76 LYS HA 2 77 ARG H 2.260 . 2.600 2.170 2.170 2.170 . 0 0 "[ ]" 1
2000 1 76 LYS HB2 1 76 LYS QG 2.040 . 2.350 2.376 2.376 2.376 0.026 1 0 "[ ]" 1
2001 2 76 LYS HB2 2 76 LYS QG 2.040 . 2.350 2.375 2.375 2.375 0.025 1 0 "[ ]" 1
2002 1 76 LYS HB3 1 76 LYS QG 2.330 . 2.680 2.333 2.333 2.333 . 0 0 "[ ]" 1
2003 2 76 LYS HB3 2 76 LYS QG 2.330 . 2.680 2.336 2.336 2.336 . 0 0 "[ ]" 1
2004 1 76 LYS HB3 1 77 ARG H 2.960 2.520 3.490 3.444 3.444 3.444 . 0 0 "[ ]" 1
2005 2 76 LYS HB3 2 77 ARG H 2.960 2.520 3.490 3.457 3.457 3.457 . 0 0 "[ ]" 1
2006 1 77 ARG H 1 77 ARG HA 2.950 2.510 3.480 2.820 2.820 2.820 . 0 0 "[ ]" 1
2007 2 77 ARG H 2 77 ARG HA 2.950 2.510 3.480 2.816 2.816 2.816 . 0 0 "[ ]" 1
2008 1 77 ARG H 1 77 ARG HB2 2.440 2.070 2.810 2.053 2.053 2.053 0.017 1 0 "[ ]" 1
2009 2 77 ARG H 2 77 ARG HB2 2.440 2.070 2.810 2.054 2.054 2.054 0.016 1 0 "[ ]" 1
2010 1 77 ARG H 1 77 ARG HB3 2.700 2.290 3.130 3.224 3.224 3.224 0.094 1 0 "[ ]" 1
2011 2 77 ARG H 2 77 ARG HB3 2.700 2.290 3.130 3.233 3.233 3.233 0.103 1 0 "[ ]" 1
2012 1 77 ARG H 1 77 ARG QG 2.880 2.450 3.380 3.415 3.415 3.415 0.035 1 0 "[ ]" 1
2013 2 77 ARG H 2 77 ARG QG 2.880 2.450 3.380 3.403 3.403 3.403 0.023 1 0 "[ ]" 1
2014 1 77 ARG H 1 78 ALA H 3.750 3.190 4.660 4.536 4.536 4.536 . 0 0 "[ ]" 1
2015 2 77 ARG H 2 78 ALA H 3.750 3.190 4.660 4.533 4.533 4.533 . 0 0 "[ ]" 1
2016 1 77 ARG HA 1 77 ARG HB2 2.710 2.300 3.140 2.842 2.842 2.842 . 0 0 "[ ]" 1
2017 2 77 ARG HA 2 77 ARG HB2 2.710 2.300 3.140 2.849 2.849 2.849 . 0 0 "[ ]" 1
2018 1 77 ARG HA 1 77 ARG HB3 2.600 2.210 2.990 2.857 2.857 2.857 . 0 0 "[ ]" 1
2019 2 77 ARG HA 2 77 ARG HB3 2.600 2.210 2.990 2.853 2.853 2.853 . 0 0 "[ ]" 1
2020 1 77 ARG HA 1 77 ARG QG 2.530 2.150 2.910 2.060 2.060 2.060 0.090 1 0 "[ ]" 1
2021 2 77 ARG HA 2 77 ARG QG 2.530 2.150 2.910 2.056 2.056 2.056 0.094 1 0 "[ ]" 1
2022 1 77 ARG HA 1 78 ALA H 2.280 . 2.620 2.152 2.152 2.152 . 0 0 "[ ]" 1
2023 2 77 ARG HA 2 78 ALA H 2.280 . 2.620 2.149 2.149 2.149 . 0 0 "[ ]" 1
2024 1 77 ARG HB2 1 77 ARG QD 2.540 2.160 2.920 2.808 2.808 2.808 . 0 0 "[ ]" 1
2025 2 77 ARG HB2 2 77 ARG QD 2.540 2.160 2.920 2.819 2.819 2.819 . 0 0 "[ ]" 1
2026 1 77 ARG HB3 1 77 ARG QD 2.630 2.240 3.030 2.105 2.105 2.105 0.135 1 0 "[ ]" 1
2027 2 77 ARG HB3 2 77 ARG QD 2.630 2.240 3.030 2.106 2.106 2.106 0.134 1 0 "[ ]" 1
2028 1 77 ARG HB3 1 78 ALA H 3.030 2.580 3.590 3.603 3.603 3.603 0.013 1 0 "[ ]" 1
2029 2 77 ARG HB3 2 78 ALA H 3.030 2.580 3.590 3.609 3.609 3.609 0.019 1 0 "[ ]" 1
2030 1 77 ARG QG 1 78 ALA H 3.010 2.560 3.560 3.092 3.092 3.092 . 0 0 "[ ]" 1
2031 2 77 ARG QG 2 78 ALA H 3.010 2.560 3.560 3.118 3.118 3.118 . 0 0 "[ ]" 1
2032 1 77 ARG QD 1 78 ALA H 3.990 3.390 5.030 4.606 4.606 4.606 . 0 0 "[ ]" 1
2033 2 77 ARG QD 2 78 ALA H 3.990 3.390 5.030 4.611 4.611 4.611 . 0 0 "[ ]" 1
2034 1 78 ALA H 1 78 ALA HA 3.040 2.580 3.600 2.935 2.935 2.935 . 0 0 "[ ]" 1
2035 2 78 ALA H 2 78 ALA HA 3.040 2.580 3.600 2.937 2.937 2.937 . 0 0 "[ ]" 1
2036 1 78 ALA H 1 78 ALA MB 2.780 2.360 3.240 2.245 2.245 2.245 0.115 1 0 "[ ]" 1
2037 2 78 ALA H 2 78 ALA MB 2.780 2.360 3.240 2.263 2.263 2.263 0.097 1 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 90
_Distance_constraint_stats_list.Viol_count 41
_Distance_constraint_stats_list.Viol_total 86.757
_Distance_constraint_stats_list.Viol_max 11.988
_Distance_constraint_stats_list.Viol_rms 2.5096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.9640
_Distance_constraint_stats_list.Viol_average_violations_only 2.1160
_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
2 1 MET 6.628 3.559 1 1 [+]
2 2 ASN 0.027 0.027 1 0 "[ ]"
2 3 ILE 19.131 7.600 1 1 [+]
2 5 ILE 0.147 0.080 1 0 "[ ]"
2 29 LEU 0.669 0.226 1 0 "[ ]"
2 31 LEU 21.719 7.964 1 1 [+]
2 38 LEU 33.735 11.988 1 1 [+]
2 40 CYS 0.276 0.149 1 0 "[ ]"
2 42 PHE 0.226 0.226 1 0 "[ ]"
2 55 VAL 0.147 0.080 1 0 "[ ]"
2 57 TYR 0.877 0.414 1 0 "[ ]"
2 58 ARG 0.000 0.000 . 0 "[ ]"
2 59 ILE 39.237 7.964 1 1 [+]
2 60 ASN 12.030 11.874 1 1 [+]
2 61 VAL 21.861 11.988 1 1 [+]
2 66 PRO 3.362 2.003 1 1 [+]
2 67 GLU 0.440 0.417 1 0 "[ ]"
2 68 LEU 6.384 2.003 1 1 [+]
2 69 ALA 0.156 0.084 1 0 "[ ]"
2 70 PHE 4.906 4.516 1 1 [+]
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 2 1 MET HB3 2 57 TYR QE 2.830 2.410 3.310 3.227 3.227 3.227 . 0 0 "[ ]" 2
2 2 1 MET ME 2 3 ILE MD 3.620 3.080 4.460 7.529 7.529 7.529 3.069 1 1 [+] 2
3 2 1 MET ME 2 31 LEU QD 3.760 3.200 4.670 8.229 8.229 8.229 3.559 1 1 [+] 2
4 2 1 MET ME 2 57 TYR QD 3.030 2.580 3.590 3.483 3.483 3.483 . 0 0 "[ ]" 2
5 2 1 MET ME 2 57 TYR QE 3.200 2.720 3.840 3.043 3.043 3.043 . 0 0 "[ ]" 2
6 2 1 MET ME 2 58 ARG HA 2.910 2.470 3.420 2.504 2.504 2.504 . 0 0 "[ ]" 2
7 2 1 MET ME 2 59 ILE MD 3.200 2.720 3.830 2.788 2.788 2.788 . 0 0 "[ ]" 2
8 2 2 ASN H 2 57 TYR QE 3.680 3.130 4.550 3.473 3.473 3.473 . 0 0 "[ ]" 2
9 2 2 ASN HA 2 57 TYR H 2.830 2.410 3.310 2.383 2.383 2.383 0.027 1 0 "[ ]" 2
10 2 2 ASN HA 2 57 TYR QD 2.620 2.230 3.020 2.481 2.481 2.481 . 0 0 "[ ]" 2
11 2 2 ASN HA 2 57 TYR QE 3.260 2.770 3.920 3.304 3.304 3.304 . 0 0 "[ ]" 2
12 2 3 ILE H 2 57 TYR QD 3.270 2.780 3.940 3.115 3.115 3.115 . 0 0 "[ ]" 2
13 2 3 ILE HB 2 57 TYR QD 2.950 2.510 3.480 3.310 3.310 3.310 . 0 0 "[ ]" 2
14 2 3 ILE HB 2 57 TYR QE 2.450 2.080 2.820 2.297 2.297 2.297 . 0 0 "[ ]" 2
15 2 3 ILE MG 2 57 TYR QD 2.660 2.260 3.070 2.221 2.221 2.221 0.039 1 0 "[ ]" 2
16 2 3 ILE MG 2 57 TYR QE 2.970 2.520 3.510 3.024 3.024 3.024 . 0 0 "[ ]" 2
17 2 3 ILE MG 2 59 ILE MD 3.410 2.900 4.140 7.786 7.786 7.786 3.646 1 1 [+] 2
18 2 3 ILE MG 2 70 PHE QD 3.680 3.130 4.550 3.323 3.323 3.323 . 0 0 "[ ]" 2
19 2 3 ILE MG 2 70 PHE QE 2.660 2.260 3.070 2.322 2.322 2.322 . 0 0 "[ ]" 2
20 2 3 ILE MG 2 70 PHE HZ 3.520 2.990 4.310 4.029 4.029 4.029 . 0 0 "[ ]" 2
21 2 3 ILE MD 2 57 TYR QD 3.560 3.030 4.370 4.419 4.419 4.419 0.049 1 0 "[ ]" 2
22 2 3 ILE MD 2 57 TYR QE 3.150 2.680 3.760 3.823 3.823 3.823 0.063 1 0 "[ ]" 2
23 2 3 ILE MD 2 59 ILE HB 2.710 2.300 3.140 10.740 10.740 10.740 7.600 1 1 [+] 2
24 2 3 ILE MD 2 59 ILE MD 2.670 2.270 3.090 7.756 7.756 7.756 4.666 1 1 [+] 2
25 2 3 ILE MD 2 70 PHE QE 3.640 3.090 4.490 3.693 3.693 3.693 . 0 0 "[ ]" 2
26 2 5 ILE H 2 55 VAL MG2 3.290 2.800 3.970 3.530 3.530 3.530 . 0 0 "[ ]" 2
27 2 5 ILE MG 2 55 VAL MG2 3.350 2.850 4.050 3.365 3.365 3.365 . 0 0 "[ ]" 2
28 2 5 ILE HG13 2 55 VAL MG2 2.620 2.230 3.020 3.086 3.086 3.086 0.066 1 0 "[ ]" 2
29 2 5 ILE MD 2 55 VAL HB 2.580 2.190 2.970 2.614 2.614 2.614 . 0 0 "[ ]" 2
30 2 5 ILE MD 2 55 VAL MG1 2.820 2.400 3.290 3.169 3.169 3.169 . 0 0 "[ ]" 2
31 2 5 ILE MD 2 55 VAL MG2 2.480 2.110 2.850 2.030 2.030 2.030 0.080 1 0 "[ ]" 2
32 2 29 LEU QB 2 42 PHE HZ 2.690 2.290 3.710 3.936 3.936 3.936 0.226 1 0 "[ ]" 2
33 2 29 LEU MD1 2 70 PHE QE 3.180 2.700 3.800 3.913 3.913 3.913 0.113 1 0 "[ ]" 2
34 2 29 LEU MD1 2 70 PHE HZ 3.140 2.670 3.750 3.572 3.572 3.572 . 0 0 "[ ]" 2
35 2 29 LEU MD2 2 40 CYS HB3 3.660 3.110 4.520 4.647 4.647 4.647 0.127 1 0 "[ ]" 2
36 2 29 LEU MD2 2 40 CYS HB2 3.610 3.070 4.440 4.589 4.589 4.589 0.149 1 0 "[ ]" 2
37 2 29 LEU MD2 2 70 PHE QE 3.460 2.940 4.220 4.274 4.274 4.274 0.054 1 0 "[ ]" 2
38 2 29 LEU MD2 2 70 PHE HZ 3.440 2.920 4.190 3.932 3.932 3.932 . 0 0 "[ ]" 2
39 2 29 LEU QD 2 42 PHE QE 2.640 2.240 3.040 2.766 2.766 2.766 . 0 0 "[ ]" 2
40 2 29 LEU QD 2 42 PHE HZ 2.470 . 2.840 1.810 1.810 1.810 . 0 0 "[ ]" 2
41 2 31 LEU QD 2 59 ILE MD . 2.750 3.200 7.572 7.572 7.572 4.372 1 1 [+] 2
42 2 31 LEU QD 2 59 ILE HB 2.420 2.060 2.780 10.744 10.744 10.744 7.964 1 1 [+] 2
43 2 31 LEU QD 2 59 ILE MG 2.450 2.080 2.820 8.643 8.643 8.643 5.823 1 1 [+] 2
44 2 38 LEU QB 2 61 VAL QG 2.930 2.490 3.160 15.148 15.148 15.148 11.988 1 1 [+] 2
45 2 38 LEU QD 2 61 VAL QG . 2.650 2.910 12.783 12.783 12.783 9.873 1 1 [+] 2
46 2 38 LEU QD 2 60 ASN HA 3.510 2.980 4.290 16.164 16.164 16.164 11.874 1 1 [+] 2
47 2 57 TYR HB2 2 68 LEU QD 3.670 3.120 4.530 3.215 3.215 3.215 . 0 0 "[ ]" 2
48 2 57 TYR HB3 2 68 LEU QD 3.870 3.290 4.840 4.202 4.202 4.202 . 0 0 "[ ]" 2
49 2 57 TYR QD 2 68 LEU QD 2.770 2.730 3.220 2.316 2.316 2.316 0.414 1 0 "[ ]" 2
50 2 57 TYR QE 2 59 ILE MD 2.810 2.390 3.280 3.538 3.538 3.538 0.258 1 0 "[ ]" 2
51 2 57 TYR QE 2 68 LEU QD 3.030 2.950 3.590 2.923 2.923 2.923 0.027 1 0 "[ ]" 2
52 2 59 ILE H 2 59 ILE HB 2.310 . 2.660 2.468 2.468 2.468 . 0 0 "[ ]" 2
53 2 59 ILE H 2 59 ILE HG12 3.380 2.870 4.100 3.904 3.904 3.904 . 0 0 "[ ]" 2
54 2 59 ILE HA 2 59 ILE HB 2.660 2.260 3.070 3.017 3.017 3.017 . 0 0 "[ ]" 2
55 2 59 ILE HA 2 59 ILE MG 2.360 2.010 2.710 2.334 2.334 2.334 . 0 0 "[ ]" 2
56 2 59 ILE HA 2 59 ILE HG12 2.600 2.210 2.990 2.626 2.626 2.626 . 0 0 "[ ]" 2
57 2 59 ILE HA 2 59 ILE HG13 2.680 2.280 3.100 2.824 2.824 2.824 . 0 0 "[ ]" 2
58 2 59 ILE HA 2 59 ILE MD 3.260 2.770 3.920 3.856 3.856 3.856 . 0 0 "[ ]" 2
59 2 59 ILE HA 2 68 LEU QD . 3.200 3.820 2.824 2.824 2.824 0.376 1 0 "[ ]" 2
60 2 59 ILE HB 2 59 ILE MG 2.220 . 2.550 2.097 2.097 2.097 . 0 0 "[ ]" 2
61 2 59 ILE HB 2 59 ILE HG13 2.490 2.120 2.860 2.550 2.550 2.550 . 0 0 "[ ]" 2
62 2 59 ILE HB 2 59 ILE MD 2.490 2.120 2.860 2.290 2.290 2.290 . 0 0 "[ ]" 2
63 2 59 ILE HG13 2 59 ILE MG 2.730 2.320 3.170 3.178 3.178 3.178 0.008 1 0 "[ ]" 2
64 2 59 ILE MD 2 59 ILE MG 2.410 2.050 2.770 2.042 2.042 2.042 0.008 1 0 "[ ]" 2
65 2 59 ILE MG 2 66 PRO QB 2.380 2.020 2.740 2.703 2.703 2.703 . 0 0 "[ ]" 2
66 2 59 ILE MG 2 70 PHE HZ 3.280 2.790 3.950 8.466 8.466 8.466 4.516 1 1 [+] 2
67 2 59 ILE MD 2 59 ILE HG12 2.280 . 2.620 2.141 2.141 2.141 . 0 0 "[ ]" 2
68 2 59 ILE MD 2 59 ILE HG13 2.320 . 2.670 2.139 2.139 2.139 . 0 0 "[ ]" 2
69 2 60 ASN HB2 2 69 ALA MB 2.840 2.410 3.320 2.326 2.326 2.326 0.084 1 0 "[ ]" 2
70 2 60 ASN HB3 2 69 ALA MB 3.160 2.690 3.780 3.545 3.545 3.545 . 0 0 "[ ]" 2
71 2 60 ASN HD22 2 69 ALA MB 3.530 3.000 4.320 4.393 4.393 4.393 0.073 1 0 "[ ]" 2
72 2 60 ASN HD21 2 69 ALA MB 3.240 2.750 3.890 3.711 3.711 3.711 . 0 0 "[ ]" 2
73 2 66 PRO QB 2 68 LEU QD 2.630 2.240 3.030 5.033 5.033 5.033 2.003 1 1 [+] 2
74 2 66 PRO QG 2 68 LEU QD 3.770 3.200 4.690 6.050 6.050 6.050 1.360 1 1 [+] 2
75 2 67 GLU HA 2 68 LEU H 2.150 . 2.470 2.372 2.372 2.372 . 0 0 "[ ]" 2
76 2 67 GLU HA 2 68 LEU QD 3.360 2.860 3.690 4.107 4.107 4.107 0.417 1 0 "[ ]" 2
77 2 67 GLU HB2 2 68 LEU H 3.140 2.670 3.750 3.501 3.501 3.501 . 0 0 "[ ]" 2
78 2 67 GLU HB3 2 68 LEU H 2.880 2.450 3.380 2.427 2.427 2.427 0.023 1 0 "[ ]" 2
79 2 67 GLU QG 2 68 LEU H 3.980 3.380 5.020 4.042 4.042 4.042 . 0 0 "[ ]" 2
80 2 68 LEU H 2 68 LEU HA 3.080 2.620 3.660 2.910 2.910 2.910 . 0 0 "[ ]" 2
81 2 68 LEU H 2 68 LEU HG 2.830 2.410 3.310 2.511 2.511 2.511 . 0 0 "[ ]" 2
82 2 68 LEU HA 2 68 LEU HB3 2.570 2.180 2.960 2.492 2.492 2.492 . 0 0 "[ ]" 2
83 2 68 LEU HA 2 68 LEU HB2 2.780 2.360 3.240 3.018 3.018 3.018 . 0 0 "[ ]" 2
84 2 68 LEU HA 2 68 LEU QD 2.590 2.560 2.980 2.116 2.116 2.116 0.444 1 0 "[ ]" 2
85 2 68 LEU HB3 2 68 LEU HG 2.330 . 2.680 2.997 2.997 2.997 0.317 1 0 "[ ]" 2
86 2 68 LEU HB3 2 68 LEU QD 2.660 2.400 3.070 2.078 2.078 2.078 0.322 1 0 "[ ]" 2
87 2 68 LEU HB2 2 68 LEU QD 2.820 2.400 3.090 2.213 2.213 2.213 0.187 1 0 "[ ]" 2
88 2 68 LEU QD 2 68 LEU HG 2.510 2.160 2.890 1.888 1.888 1.888 0.272 1 0 "[ ]" 2
89 2 68 LEU QD 2 70 PHE QE 3.430 2.920 3.890 3.058 3.058 3.058 . 0 0 "[ ]" 2
90 2 68 LEU QD 2 70 PHE HZ 3.140 2.670 3.520 2.447 2.447 2.447 0.223 1 0 "[ ]" 2
stop_
save_
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