NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
391200 |
1p4q   |
5306 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1p4q
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 1379
_Distance_constraint_stats_list.Viol_count 2512
_Distance_constraint_stats_list.Viol_total 2824.289
_Distance_constraint_stats_list.Viol_max 0.442
_Distance_constraint_stats_list.Viol_rms 0.0293
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0661
_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 6 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 8 SER 0.017 0.011 6 0 "[ . 1 . ]"
1 9 ASN 0.588 0.188 7 0 "[ . 1 . ]"
1 10 VAL 6.741 0.268 1 0 "[ . 1 . ]"
1 11 ILE 9.544 0.268 1 0 "[ . 1 . ]"
1 12 ASP 3.764 0.156 13 0 "[ . 1 . ]"
1 13 THR 3.416 0.118 13 0 "[ . 1 . ]"
1 14 ASP 3.219 0.224 11 0 "[ . 1 . ]"
1 15 PHE 2.944 0.224 11 0 "[ . 1 . ]"
1 16 ILE 3.321 0.128 2 0 "[ . 1 . ]"
1 17 ASP 4.513 0.153 4 0 "[ . 1 . ]"
1 18 GLU 2.707 0.153 4 0 "[ . 1 . ]"
1 19 GLU 0.271 0.046 6 0 "[ . 1 . ]"
1 20 VAL 1.025 0.072 6 0 "[ . 1 . ]"
1 21 LEU 0.489 0.082 4 0 "[ . 1 . ]"
1 22 MET 0.621 0.082 4 0 "[ . 1 . ]"
1 23 SER 0.239 0.030 4 0 "[ . 1 . ]"
1 24 LEU 0.530 0.056 1 0 "[ . 1 . ]"
1 25 VAL 0.015 0.009 15 0 "[ . 1 . ]"
1 26 ILE 0.113 0.027 11 0 "[ . 1 . ]"
1 27 GLU 0.442 0.035 11 0 "[ . 1 . ]"
1 28 MET 1.280 0.101 4 0 "[ . 1 . ]"
1 29 GLY 1.917 0.089 4 0 "[ . 1 . ]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 31 ASP 0.007 0.007 14 0 "[ . 1 . ]"
1 32 ARG 0.066 0.022 3 0 "[ . 1 . ]"
1 33 ILE 0.032 0.027 5 0 "[ . 1 . ]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . ]"
1 36 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 37 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 38 GLU 0.426 0.043 2 0 "[ . 1 . ]"
1 39 LEU 0.057 0.032 2 0 "[ . 1 . ]"
1 40 TRP 3.712 0.154 14 0 "[ . 1 . ]"
1 41 LEU 0.092 0.037 15 0 "[ . 1 . ]"
1 42 GLY 0.032 0.019 2 0 "[ . 1 . ]"
1 43 GLN 0.395 0.068 9 0 "[ . 1 . ]"
1 44 ASN 0.541 0.058 1 0 "[ . 1 . ]"
1 45 GLU 1.854 0.188 9 0 "[ . 1 . ]"
1 46 PHE 2.723 0.188 9 0 "[ . 1 . ]"
1 47 ASP 2.049 0.175 7 0 "[ . 1 . ]"
1 48 PHE 1.031 0.076 5 0 "[ . 1 . ]"
1 49 MET 1.601 0.211 10 0 "[ . 1 . ]"
1 50 THR 2.056 0.211 10 0 "[ . 1 . ]"
1 51 ASP 7.551 0.198 14 0 "[ . 1 . ]"
1 52 PHE 4.855 0.184 8 0 "[ . 1 . ]"
2 5 ALA 0.875 0.203 17 0 "[ . 1 . ]"
2 6 HIS 0.890 0.203 17 0 "[ . 1 . ]"
2 7 THR 4.486 0.321 13 0 "[ . 1 . ]"
2 8 ALA 6.166 0.321 13 0 "[ . 1 . ]"
2 9 ASP 0.853 0.193 3 0 "[ . 1 . ]"
2 10 PRO 2.206 0.165 14 0 "[ . 1 . ]"
2 11 GLU 0.004 0.002 2 0 "[ . 1 . ]"
2 12 LYS 2.877 0.212 8 0 "[ . 1 . ]"
2 13 ARG 4.794 0.165 14 0 "[ . 1 . ]"
2 14 LYS 4.020 0.212 8 0 "[ . 1 . ]"
2 15 LEU 0.109 0.026 17 0 "[ . 1 . ]"
2 16 ILE 0.666 0.160 7 0 "[ . 1 . ]"
2 17 GLN 4.498 0.160 7 0 "[ . 1 . ]"
2 18 GLN 2.892 0.139 5 0 "[ . 1 . ]"
2 19 GLN 3.876 0.274 5 0 "[ . 1 . ]"
2 20 LEU 0.178 0.054 5 0 "[ . 1 . ]"
2 21 VAL 6.128 0.274 5 0 "[ . 1 . ]"
2 22 LEU 5.082 0.167 13 0 "[ . 1 . ]"
2 23 LEU 1.970 0.099 5 0 "[ . 1 . ]"
2 24 LEU 2.417 0.167 13 0 "[ . 1 . ]"
2 25 HIS 5.938 0.185 13 0 "[ . 1 . ]"
2 26 ALA 0.784 0.076 13 0 "[ . 1 . ]"
2 27 HIS 5.022 0.442 13 0 "[ . 1 . ]"
2 28 LYS 0.583 0.070 17 0 "[ . 1 . ]"
2 29 CYS 2.223 0.091 8 0 "[ . 1 . ]"
2 30 GLN 2.791 0.204 17 0 "[ . 1 . ]"
2 31 ARG 0.526 0.069 4 0 "[ . 1 . ]"
2 32 ARG 5.019 0.304 11 0 "[ . 1 . ]"
2 33 GLU 4.544 0.304 11 0 "[ . 1 . ]"
2 34 GLN 0.671 0.077 17 0 "[ . 1 . ]"
2 35 ALA 4.400 0.363 17 0 "[ . 1 . ]"
2 36 ASN 6.874 0.363 17 0 "[ . 1 . ]"
2 37 GLY 2.009 0.167 10 0 "[ . 1 . ]"
2 38 GLU 0.000 0.000 . 0 "[ . 1 . ]"
2 39 VAL 0.783 0.115 8 0 "[ . 1 . ]"
2 40 ARG 0.730 0.115 8 0 "[ . 1 . ]"
2 41 GLN 1.448 0.091 6 0 "[ . 1 . ]"
2 42 CYS 1.868 0.083 15 0 "[ . 1 . ]"
2 43 ASN 0.508 0.083 15 0 "[ . 1 . ]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . ]"
2 46 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 47 CYS 0.660 0.048 13 0 "[ . 1 . ]"
2 48 ARG 0.011 0.010 2 0 "[ . 1 . ]"
2 49 THR 0.533 0.051 12 0 "[ . 1 . ]"
2 50 MET 0.130 0.027 16 0 "[ . 1 . ]"
2 51 LYS 0.873 0.044 6 0 "[ . 1 . ]"
2 52 ASN 0.934 0.091 2 0 "[ . 1 . ]"
2 53 VAL 2.468 0.096 17 0 "[ . 1 . ]"
2 54 LEU 4.178 0.336 17 0 "[ . 1 . ]"
2 55 ASN 1.645 0.096 2 0 "[ . 1 . ]"
2 56 HIS 8.493 0.179 7 0 "[ . 1 . ]"
2 57 MET 1.164 0.171 17 0 "[ . 1 . ]"
2 58 THR 4.566 0.192 17 0 "[ . 1 . ]"
2 59 HIS 5.760 0.179 7 0 "[ . 1 . ]"
2 60 CYS 5.201 0.192 17 0 "[ . 1 . ]"
2 61 GLN 2.638 0.109 14 0 "[ . 1 . ]"
2 62 SER 8.621 0.178 9 0 "[ . 1 . ]"
2 63 GLY 8.296 0.225 11 0 "[ . 1 . ]"
2 64 LYS 5.592 0.225 11 0 "[ . 1 . ]"
2 65 SER 1.736 0.107 17 0 "[ . 1 . ]"
2 66 CYS 3.972 0.108 15 0 "[ . 1 . ]"
2 67 GLN 1.296 0.081 9 0 "[ . 1 . ]"
2 68 VAL 3.269 0.112 17 0 "[ . 1 . ]"
2 69 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 70 HIS 0.163 0.036 9 0 "[ . 1 . ]"
2 71 CYS 3.660 0.089 11 0 "[ . 1 . ]"
2 72 ALA 1.512 0.089 11 0 "[ . 1 . ]"
2 73 SER 0.000 0.000 . 0 "[ . 1 . ]"
2 74 SER 2.108 0.137 2 0 "[ . 1 . ]"
2 75 ARG 1.199 0.096 17 0 "[ . 1 . ]"
2 76 GLN 0.404 0.070 3 0 "[ . 1 . ]"
2 77 ILE 3.339 0.154 14 0 "[ . 1 . ]"
2 78 ILE 0.780 0.047 1 0 "[ . 1 . ]"
2 79 SER 0.657 0.042 13 0 "[ . 1 . ]"
2 80 HIS 4.710 0.199 2 0 "[ . 1 . ]"
2 81 TRP 9.663 0.224 7 0 "[ . 1 . ]"
2 82 LYS 0.033 0.025 2 0 "[ . 1 . ]"
2 83 ASN 0.289 0.058 13 0 "[ . 1 . ]"
2 84 CYS 0.355 0.120 16 0 "[ . 1 . ]"
2 85 THR 0.000 0.000 . 0 "[ . 1 . ]"
2 87 HIS 0.000 0.000 . 0 "[ . 1 . ]"
2 88 ASP 0.057 0.033 1 0 "[ . 1 . ]"
2 89 CYS 0.254 0.061 7 0 "[ . 1 . ]"
2 90 PRO 0.000 0.000 . 0 "[ . 1 . ]"
2 91 VAL 2.641 0.128 1 0 "[ . 1 . ]"
2 92 CYS 5.573 0.224 7 0 "[ . 1 . ]"
2 93 LEU 0.456 0.051 15 0 "[ . 1 . ]"
2 94 PRO 0.020 0.013 3 0 "[ . 1 . ]"
2 95 LEU 1.947 0.128 1 0 "[ . 1 . ]"
2 96 LYS 6.142 0.324 5 0 "[ . 1 . ]"
2 97 ASN 6.580 0.324 5 0 "[ . 1 . ]"
2 98 ALA 0.926 0.176 5 0 "[ . 1 . ]"
2 99 GLY 0.832 0.176 5 0 "[ . 1 . ]"
2 100 ASP 0.003 0.003 14 0 "[ . 1 . ]"
2 101 LYS 0.000 0.000 . 0 "[ . 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 1 6 SER HA 1 7 GLY H . . 2.710 2.314 2.143 2.593 . 0 0 "[ . 1 . ]" 1
2 1 7 GLY QA 1 9 ASN H . . 5.820 3.985 3.198 4.966 . 0 0 "[ . 1 . ]" 1
3 1 8 SER H 1 9 ASN H . . 3.480 2.970 2.217 3.447 . 0 0 "[ . 1 . ]" 1
4 1 8 SER HA 1 9 ASN H . . 2.990 2.572 2.220 3.001 0.011 6 0 "[ . 1 . ]" 1
5 1 9 ASN H 1 9 ASN HA . . 2.490 2.345 2.272 2.678 0.188 7 0 "[ . 1 . ]" 1
6 1 9 ASN H 1 10 VAL H . . 3.240 2.953 1.976 3.247 0.007 8 0 "[ . 1 . ]" 1
7 1 9 ASN HA 1 10 VAL H . . 2.770 2.465 2.304 2.744 . 0 0 "[ . 1 . ]" 1
8 1 10 VAL H 1 10 VAL HB . . 2.930 2.889 2.377 2.973 0.043 4 0 "[ . 1 . ]" 1
9 1 10 VAL H 1 10 VAL MG1 . . 3.800 1.847 1.818 2.193 . 0 0 "[ . 1 . ]" 1
10 1 10 VAL H 1 10 VAL MG2 . . 4.080 3.680 3.674 3.690 . 0 0 "[ . 1 . ]" 1
11 1 10 VAL H 1 11 ILE H . . 3.170 3.174 2.788 3.217 0.047 13 0 "[ . 1 . ]" 1
12 1 10 VAL HA 1 11 ILE H . . 3.210 3.458 3.449 3.472 0.262 1 0 "[ . 1 . ]" 1
13 1 10 VAL HB 1 11 ILE H . . 3.330 3.446 3.408 3.598 0.268 1 0 "[ . 1 . ]" 1
14 1 10 VAL MG1 1 11 ILE H . . 5.010 1.796 1.736 1.811 . 0 0 "[ . 1 . ]" 1
15 1 10 VAL MG1 1 12 ASP H . . 6.530 5.234 4.459 5.340 . 0 0 "[ . 1 . ]" 1
16 1 10 VAL MG2 1 11 ILE H . . 5.010 1.995 1.894 3.393 . 0 0 "[ . 1 . ]" 1
17 1 10 VAL MG2 1 12 ASP H . . 6.530 5.122 5.038 5.265 . 0 0 "[ . 1 . ]" 1
18 1 11 ILE H 1 11 ILE HB . . 3.580 2.365 2.240 2.950 . 0 0 "[ . 1 . ]" 1
19 1 11 ILE H 1 11 ILE MD . . 5.190 4.179 4.022 4.375 . 0 0 "[ . 1 . ]" 1
20 1 11 ILE H 1 11 ILE HG12 . . 5.190 4.673 4.430 4.871 . 0 0 "[ . 1 . ]" 1
21 1 11 ILE H 1 11 ILE QG . . 4.740 3.908 3.527 4.011 . 0 0 "[ . 1 . ]" 1
22 1 11 ILE H 1 11 ILE HG13 . . 5.190 4.198 3.704 4.339 . 0 0 "[ . 1 . ]" 1
23 1 11 ILE H 1 12 ASP H . . 4.320 4.374 4.335 4.476 0.156 13 0 "[ . 1 . ]" 1
24 1 11 ILE HA 1 12 ASP H . . 2.900 2.810 2.311 2.923 0.023 9 0 "[ . 1 . ]" 1
25 1 11 ILE HB 1 12 ASP H . . 4.040 3.602 3.515 4.056 0.016 1 0 "[ . 1 . ]" 1
26 1 11 ILE HB 2 81 TRP HZ3 . . 5.500 5.591 5.219 5.697 0.197 16 0 "[ . 1 . ]" 1
27 1 11 ILE MD 1 12 ASP H . . 4.700 3.557 3.352 3.999 . 0 0 "[ . 1 . ]" 1
28 1 11 ILE MD 1 13 THR H . . 6.530 4.694 4.487 4.808 . 0 0 "[ . 1 . ]" 1
29 1 11 ILE MD 1 13 THR MG . . 6.500 3.065 2.701 3.350 . 0 0 "[ . 1 . ]" 1
30 1 11 ILE MD 2 24 LEU MD2 . . 6.560 2.040 1.781 3.136 . 0 0 "[ . 1 . ]" 1
31 1 11 ILE MD 2 27 HIS HB2 . . 5.880 4.115 3.927 4.330 . 0 0 "[ . 1 . ]" 1
32 1 11 ILE MD 2 27 HIS QB . . 5.510 3.871 3.732 4.023 . 0 0 "[ . 1 . ]" 1
33 1 11 ILE MD 2 27 HIS HB3 . . 5.880 4.717 4.654 4.787 . 0 0 "[ . 1 . ]" 1
34 1 11 ILE MD 2 78 ILE HA . . 6.090 2.548 2.190 3.032 . 0 0 "[ . 1 . ]" 1
35 1 11 ILE MD 2 81 TRP HZ3 . . 5.130 4.211 3.922 4.292 . 0 0 "[ . 1 . ]" 1
36 1 11 ILE QG 2 81 TRP HZ3 . . 4.750 2.970 2.816 3.879 . 0 0 "[ . 1 . ]" 1
37 1 11 ILE HG12 1 12 ASP H . . 5.500 1.928 1.737 2.841 . 0 0 "[ . 1 . ]" 1
38 1 11 ILE HG12 2 81 TRP HZ3 . . 5.500 3.026 2.861 3.961 . 0 0 "[ . 1 . ]" 1
39 1 11 ILE HG13 1 12 ASP H . . 5.500 2.746 2.531 4.135 . 0 0 "[ . 1 . ]" 1
40 1 11 ILE HG13 2 81 TRP HZ3 . . 5.500 4.330 3.977 5.541 0.041 13 0 "[ . 1 . ]" 1
41 1 11 ILE MG 1 12 ASP H . . 5.070 1.964 1.865 2.865 . 0 0 "[ . 1 . ]" 1
42 1 11 ILE MG 1 12 ASP HA . . 6.530 3.474 3.407 3.716 . 0 0 "[ . 1 . ]" 1
43 1 11 ILE MG 1 13 THR H . . 6.090 1.789 1.754 1.881 . 0 0 "[ . 1 . ]" 1
44 1 11 ILE MG 1 13 THR MG . . 6.250 1.647 1.590 1.765 . 0 0 "[ . 1 . ]" 1
45 1 11 ILE MG 2 24 LEU MD2 . . 6.810 2.360 1.767 3.373 . 0 0 "[ . 1 . ]" 1
46 1 11 ILE MG 2 27 HIS HB2 . . 5.880 4.146 3.770 4.434 . 0 0 "[ . 1 . ]" 1
47 1 11 ILE MG 2 27 HIS HB3 . . 5.880 3.983 3.680 4.753 . 0 0 "[ . 1 . ]" 1
48 1 11 ILE MG 2 28 LYS QE . . 7.400 5.160 4.537 5.558 . 0 0 "[ . 1 . ]" 1
49 1 11 ILE MG 2 78 ILE HA . . 6.530 5.543 5.453 5.572 . 0 0 "[ . 1 . ]" 1
50 1 11 ILE MG 2 78 ILE QG . . 6.070 4.154 4.036 4.336 . 0 0 "[ . 1 . ]" 1
51 1 11 ILE MG 2 81 TRP HE3 . . 6.530 3.273 2.571 3.497 . 0 0 "[ . 1 . ]" 1
52 1 11 ILE MG 2 81 TRP HZ3 . . 4.330 3.158 2.215 3.301 . 0 0 "[ . 1 . ]" 1
53 1 12 ASP H 1 12 ASP HB2 . . 3.360 2.427 2.179 2.540 . 0 0 "[ . 1 . ]" 1
54 1 12 ASP H 1 12 ASP HB3 . . 3.360 3.374 3.255 3.434 0.074 13 0 "[ . 1 . ]" 1
55 1 12 ASP H 1 13 THR MG . . 6.530 3.302 2.966 4.422 . 0 0 "[ . 1 . ]" 1
56 1 12 ASP H 2 81 TRP HE3 . . 5.500 1.940 1.799 2.070 . 0 0 "[ . 1 . ]" 1
57 1 12 ASP H 2 81 TRP HZ3 . . 5.500 2.466 2.153 2.933 . 0 0 "[ . 1 . ]" 1
58 1 12 ASP HA 1 13 THR H . . 2.740 2.773 2.627 2.802 0.062 8 0 "[ . 1 . ]" 1
59 1 12 ASP HA 1 14 ASP H . . 3.390 3.081 2.945 3.439 0.049 13 0 "[ . 1 . ]" 1
60 1 12 ASP HA 2 81 TRP HE3 . . 5.340 4.339 4.083 4.857 . 0 0 "[ . 1 . ]" 1
61 1 12 ASP QB 1 13 THR H . . 4.060 3.803 3.786 3.833 . 0 0 "[ . 1 . ]" 1
62 1 12 ASP HB2 1 13 THR H . . 4.230 4.317 4.291 4.348 0.118 13 0 "[ . 1 . ]" 1
63 1 12 ASP HB3 1 13 THR H . . 4.230 4.223 4.174 4.266 0.036 1 0 "[ . 1 . ]" 1
64 1 13 THR H 1 13 THR HB . . 3.860 3.529 2.903 3.664 . 0 0 "[ . 1 . ]" 1
65 1 13 THR H 1 13 THR MG . . 4.170 2.519 2.099 2.794 . 0 0 "[ . 1 . ]" 1
66 1 13 THR H 1 14 ASP H . . 3.080 2.544 1.912 3.045 . 0 0 "[ . 1 . ]" 1
67 1 13 THR H 2 81 TRP HE3 . . 5.500 4.523 4.369 4.973 . 0 0 "[ . 1 . ]" 1
68 1 13 THR HA 1 13 THR MG . . 3.710 2.551 2.358 3.198 . 0 0 "[ . 1 . ]" 1
69 1 13 THR HA 1 14 ASP H . . 3.240 3.191 2.890 3.283 0.043 11 0 "[ . 1 . ]" 1
70 1 13 THR HA 1 16 ILE H . . 3.730 2.748 2.557 3.037 . 0 0 "[ . 1 . ]" 1
71 1 13 THR HA 1 16 ILE HB . . 3.580 2.241 2.054 2.537 . 0 0 "[ . 1 . ]" 1
72 1 13 THR HA 1 16 ILE MD . . 4.300 3.333 3.097 3.453 . 0 0 "[ . 1 . ]" 1
73 1 13 THR HA 1 16 ILE MG . . 3.800 2.481 1.938 3.089 . 0 0 "[ . 1 . ]" 1
74 1 13 THR HA 2 24 LEU QD . . 7.630 3.434 3.201 3.935 . 0 0 "[ . 1 . ]" 1
75 1 13 THR HA 2 81 TRP HZ3 . . 5.500 3.624 3.326 4.034 . 0 0 "[ . 1 . ]" 1
76 1 13 THR HB 2 81 TRP HZ3 . . 5.410 5.031 2.537 5.512 0.102 8 0 "[ . 1 . ]" 1
77 1 13 THR MG 1 14 ASP H . . 6.090 4.097 3.025 4.373 . 0 0 "[ . 1 . ]" 1
78 1 13 THR MG 2 24 LEU HA . . 4.920 2.762 2.477 2.984 . 0 0 "[ . 1 . ]" 1
79 1 13 THR MG 2 24 LEU QD . . 7.950 1.722 1.642 2.098 . 0 0 "[ . 1 . ]" 1
80 1 13 THR MG 2 27 HIS H . . 6.280 4.900 4.689 5.057 . 0 0 "[ . 1 . ]" 1
81 1 13 THR MG 2 27 HIS HB2 . . 4.850 3.918 3.440 4.089 . 0 0 "[ . 1 . ]" 1
82 1 13 THR MG 2 27 HIS QB . . 4.680 3.094 2.973 3.266 . 0 0 "[ . 1 . ]" 1
83 1 13 THR MG 2 27 HIS HB3 . . 4.850 3.271 3.079 4.069 . 0 0 "[ . 1 . ]" 1
84 1 13 THR MG 2 28 LYS H . . 5.600 4.022 3.654 4.175 . 0 0 "[ . 1 . ]" 1
85 1 13 THR MG 2 81 TRP HE3 . . 6.530 4.246 4.060 5.121 . 0 0 "[ . 1 . ]" 1
86 1 13 THR MG 2 81 TRP HH2 . . 5.690 4.304 4.017 4.861 . 0 0 "[ . 1 . ]" 1
87 1 13 THR MG 2 81 TRP HZ3 . . 5.010 3.246 3.001 4.090 . 0 0 "[ . 1 . ]" 1
88 1 14 ASP H 1 14 ASP HB2 . . 3.360 2.219 2.079 3.549 0.189 2 0 "[ . 1 . ]" 1
89 1 14 ASP H 1 14 ASP HB3 . . 3.360 3.134 2.506 3.366 0.006 1 0 "[ . 1 . ]" 1
90 1 14 ASP H 1 15 PHE H . . 3.450 2.558 2.241 2.731 . 0 0 "[ . 1 . ]" 1
91 1 14 ASP H 1 16 ILE H . . 4.350 3.876 3.654 4.011 . 0 0 "[ . 1 . ]" 1
92 1 14 ASP HA 1 15 PHE H . . 3.170 3.336 3.272 3.394 0.224 11 0 "[ . 1 . ]" 1
93 1 14 ASP HB2 1 15 PHE H . . 3.950 3.760 3.482 3.971 0.021 2 0 "[ . 1 . ]" 1
94 1 14 ASP HB3 1 15 PHE H . . 3.950 3.554 3.213 3.996 0.046 2 0 "[ . 1 . ]" 1
95 1 15 PHE H 1 16 ILE H . . 3.300 1.922 1.834 2.140 . 0 0 "[ . 1 . ]" 1
96 1 15 PHE HA 1 16 ILE H . . 3.420 3.376 3.258 3.446 0.026 13 0 "[ . 1 . ]" 1
97 1 15 PHE QE 2 24 LEU MD1 . . 8.650 5.823 5.306 6.481 . 0 0 "[ . 1 . ]" 1
98 1 15 PHE QE 2 24 LEU MD2 . . 8.650 5.034 4.173 5.921 . 0 0 "[ . 1 . ]" 1
99 1 16 ILE H 1 16 ILE HB . . 3.140 2.261 2.135 2.332 . 0 0 "[ . 1 . ]" 1
100 1 16 ILE H 1 16 ILE MD . . 4.920 4.015 3.873 4.093 . 0 0 "[ . 1 . ]" 1
101 1 16 ILE H 1 16 ILE HG12 . . 4.570 4.643 4.622 4.661 0.091 14 0 "[ . 1 . ]" 1
102 1 16 ILE H 1 16 ILE HG13 . . 4.570 4.222 4.040 4.418 . 0 0 "[ . 1 . ]" 1
103 1 16 ILE H 1 16 ILE MG . . 3.990 2.530 2.367 2.766 . 0 0 "[ . 1 . ]" 1
104 1 16 ILE H 1 17 ASP H . . 4.450 4.569 4.560 4.578 0.128 2 0 "[ . 1 . ]" 1
105 1 16 ILE H 2 28 LYS QE . . 6.380 4.164 3.524 4.974 . 0 0 "[ . 1 . ]" 1
106 1 16 ILE HA 1 16 ILE QG . . 3.840 2.065 1.990 2.383 . 0 0 "[ . 1 . ]" 1
107 1 16 ILE HA 1 17 ASP H . . 2.770 2.230 2.186 2.297 . 0 0 "[ . 1 . ]" 1
108 1 16 ILE HB 1 17 ASP H . . 4.450 4.127 4.060 4.209 . 0 0 "[ . 1 . ]" 1
109 1 16 ILE HB 2 28 LYS QE . . 6.380 4.378 3.914 4.912 . 0 0 "[ . 1 . ]" 1
110 1 16 ILE MD 1 17 ASP H . . 5.720 3.939 3.267 4.164 . 0 0 "[ . 1 . ]" 1
111 1 16 ILE MD 2 24 LEU MD1 . . 7.060 3.044 2.333 4.368 . 0 0 "[ . 1 . ]" 1
112 1 16 ILE MD 2 28 LYS QE . . 7.400 4.961 4.218 5.264 . 0 0 "[ . 1 . ]" 1
113 1 16 ILE QG 1 17 ASP H . . 5.040 2.254 1.930 2.475 . 0 0 "[ . 1 . ]" 1
114 1 16 ILE HG12 1 17 ASP H . . 5.500 3.004 2.620 3.663 . 0 0 "[ . 1 . ]" 1
115 1 16 ILE HG13 1 17 ASP H . . 5.500 2.367 1.946 2.786 . 0 0 "[ . 1 . ]" 1
116 1 16 ILE MG 1 17 ASP H . . 4.080 3.231 2.825 3.353 . 0 0 "[ . 1 . ]" 1
117 1 16 ILE MG 2 28 LYS QE . . 7.400 2.021 1.727 2.267 . 0 0 "[ . 1 . ]" 1
118 1 17 ASP H 1 17 ASP HB2 . . 3.240 2.476 2.348 2.682 . 0 0 "[ . 1 . ]" 1
119 1 17 ASP H 1 17 ASP HB3 . . 3.240 2.957 2.721 3.103 . 0 0 "[ . 1 . ]" 1
120 1 17 ASP H 1 18 GLU H . . 4.320 4.437 4.405 4.473 0.153 4 0 "[ . 1 . ]" 1
121 1 17 ASP H 1 20 VAL H . . 4.450 4.095 3.822 4.364 . 0 0 "[ . 1 . ]" 1
122 1 17 ASP HA 1 18 GLU H . . 2.680 2.140 2.124 2.187 . 0 0 "[ . 1 . ]" 1
123 1 17 ASP HA 1 19 GLU H . . 3.980 3.689 3.615 3.766 . 0 0 "[ . 1 . ]" 1
124 1 17 ASP HA 1 20 VAL H . . 5.500 4.408 4.243 4.554 . 0 0 "[ . 1 . ]" 1
125 1 17 ASP QB 1 18 GLU H . . 4.090 3.519 3.401 3.693 . 0 0 "[ . 1 . ]" 1
126 1 17 ASP HB2 1 18 GLU H . . 4.320 4.343 4.261 4.389 0.069 10 0 "[ . 1 . ]" 1
127 1 17 ASP HB3 1 18 GLU H . . 4.320 3.725 3.572 4.001 . 0 0 "[ . 1 . ]" 1
128 1 18 GLU H 1 19 GLU H . . 3.420 2.684 2.592 2.772 . 0 0 "[ . 1 . ]" 1
129 1 18 GLU H 1 20 VAL H . . 4.510 4.244 4.102 4.365 . 0 0 "[ . 1 . ]" 1
130 1 18 GLU HA 1 21 LEU H . . 3.950 3.926 3.713 3.985 0.035 8 0 "[ . 1 . ]" 1
131 1 18 GLU QB 1 19 GLU H . . 4.420 3.449 3.106 3.785 . 0 0 "[ . 1 . ]" 1
132 1 19 GLU H 1 19 GLU HG2 . . 4.570 3.278 2.022 4.563 . 0 0 "[ . 1 . ]" 1
133 1 19 GLU H 1 19 GLU QG . . 4.360 2.810 1.966 3.858 . 0 0 "[ . 1 . ]" 1
134 1 19 GLU H 1 19 GLU HG3 . . 4.570 3.371 2.336 4.308 . 0 0 "[ . 1 . ]" 1
135 1 19 GLU H 1 20 VAL H . . 2.990 2.252 2.225 2.275 . 0 0 "[ . 1 . ]" 1
136 1 19 GLU H 1 20 VAL MG1 . . 6.530 5.523 5.503 5.540 . 0 0 "[ . 1 . ]" 1
137 1 19 GLU H 1 20 VAL MG2 . . 4.730 3.586 3.341 3.727 . 0 0 "[ . 1 . ]" 1
138 1 19 GLU H 1 21 LEU H . . 4.290 4.238 4.059 4.330 0.040 4 0 "[ . 1 . ]" 1
139 1 19 GLU HA 1 22 MET H . . 3.790 3.611 3.332 3.836 0.046 6 0 "[ . 1 . ]" 1
140 1 19 GLU O 1 23 SER H . . 2.500 2.212 1.930 2.402 . 0 0 "[ . 1 . ]" 1
141 1 19 GLU O 1 23 SER N . . 3.500 3.148 2.849 3.347 . 0 0 "[ . 1 . ]" 1
142 1 20 VAL H 1 20 VAL HB . . 2.650 2.493 2.356 2.657 0.007 4 0 "[ . 1 . ]" 1
143 1 20 VAL H 1 20 VAL MG1 . . 4.140 3.711 3.699 3.720 . 0 0 "[ . 1 . ]" 1
144 1 20 VAL H 1 20 VAL MG2 . . 3.430 2.111 1.942 2.375 . 0 0 "[ . 1 . ]" 1
145 1 20 VAL H 1 21 LEU H . . 3.240 2.723 2.482 2.871 . 0 0 "[ . 1 . ]" 1
146 1 20 VAL H 1 22 MET H . . 4.320 3.965 3.702 4.392 0.072 6 0 "[ . 1 . ]" 1
147 1 20 VAL HA 1 20 VAL MG2 . . 3.550 2.424 2.360 2.479 . 0 0 "[ . 1 . ]" 1
148 1 20 VAL HA 1 23 SER H . . 3.700 3.709 3.665 3.730 0.030 4 0 "[ . 1 . ]" 1
149 1 20 VAL HA 1 23 SER QB . . 4.110 3.170 2.495 3.525 . 0 0 "[ . 1 . ]" 1
150 1 20 VAL HB 1 21 LEU H . . 3.240 2.296 2.144 2.465 . 0 0 "[ . 1 . ]" 1
151 1 20 VAL MG1 1 21 LEU H . . 4.700 3.199 2.994 3.481 . 0 0 "[ . 1 . ]" 1
152 1 20 VAL MG1 2 98 ALA HA . . 5.350 3.539 2.027 4.347 . 0 0 "[ . 1 . ]" 1
153 1 20 VAL MG1 2 98 ALA MB . . 5.940 2.570 1.804 3.916 . 0 0 "[ . 1 . ]" 1
154 1 20 VAL MG2 1 21 LEU H . . 4.540 3.702 3.578 3.832 . 0 0 "[ . 1 . ]" 1
155 1 20 VAL O 1 24 LEU H . . 2.300 2.189 1.643 2.356 0.056 1 0 "[ . 1 . ]" 1
156 1 20 VAL O 1 24 LEU N . . 3.300 3.113 2.591 3.311 0.011 7 0 "[ . 1 . ]" 1
157 1 21 LEU H 1 21 LEU MD1 . . 4.790 3.792 2.021 4.072 . 0 0 "[ . 1 . ]" 1
158 1 21 LEU H 1 21 LEU MD2 . . 4.140 3.097 2.076 3.398 . 0 0 "[ . 1 . ]" 1
159 1 21 LEU H 1 21 LEU HG . . 3.730 2.655 1.939 3.763 0.033 4 0 "[ . 1 . ]" 1
160 1 21 LEU H 1 22 MET H . . 3.580 2.720 2.570 2.946 . 0 0 "[ . 1 . ]" 1
161 1 21 LEU MD1 1 22 MET H . . 4.920 3.518 2.423 4.086 . 0 0 "[ . 1 . ]" 1
162 1 21 LEU MD1 2 25 HIS H . . 4.260 3.302 3.204 3.498 . 0 0 "[ . 1 . ]" 1
163 1 21 LEU MD2 1 22 MET H . . 5.010 4.022 3.351 4.370 . 0 0 "[ . 1 . ]" 1
164 1 21 LEU MD2 2 25 HIS H . . 4.020 3.108 2.976 3.233 . 0 0 "[ . 1 . ]" 1
165 1 21 LEU HG 1 22 MET H . . 4.720 2.979 2.126 4.802 0.082 4 0 "[ . 1 . ]" 1
166 1 21 LEU O 1 25 VAL H . . 2.300 2.056 1.860 2.248 . 0 0 "[ . 1 . ]" 1
167 1 21 LEU O 1 25 VAL N . . 3.300 2.799 2.630 2.959 . 0 0 "[ . 1 . ]" 1
168 1 22 MET H 1 22 MET ME . . 4.360 3.352 2.848 3.470 . 0 0 "[ . 1 . ]" 1
169 1 22 MET H 1 23 SER H . . 3.210 2.826 2.694 3.014 . 0 0 "[ . 1 . ]" 1
170 1 22 MET HA 1 25 VAL H . . 3.480 3.327 3.175 3.489 0.009 15 0 "[ . 1 . ]" 1
171 1 22 MET HA 1 25 VAL HB . . 3.170 2.369 2.120 2.632 . 0 0 "[ . 1 . ]" 1
172 1 22 MET HA 1 25 VAL MG2 . . 4.020 2.951 2.840 3.049 . 0 0 "[ . 1 . ]" 1
173 1 22 MET QB 1 23 SER H . . 4.360 2.309 2.221 2.410 . 0 0 "[ . 1 . ]" 1
174 1 22 MET QB 1 26 ILE MD . . 6.230 3.723 3.397 3.924 . 0 0 "[ . 1 . ]" 1
175 1 22 MET ME 1 26 ILE MD . . 6.160 3.994 3.331 4.335 . 0 0 "[ . 1 . ]" 1
176 1 22 MET ME 2 44 LEU MD1 . . 7.560 3.569 2.067 4.758 . 0 0 "[ . 1 . ]" 1
177 1 22 MET ME 2 44 LEU MD2 . . 7.560 3.007 1.902 4.826 . 0 0 "[ . 1 . ]" 1
178 1 22 MET QG 1 23 SER H . . 6.380 3.681 3.463 3.932 . 0 0 "[ . 1 . ]" 1
179 1 22 MET QG 1 26 ILE MD . . 4.930 2.314 1.986 2.540 . 0 0 "[ . 1 . ]" 1
180 1 22 MET HG2 1 26 ILE MD . . 5.160 3.405 2.606 3.929 . 0 0 "[ . 1 . ]" 1
181 1 22 MET HG3 1 26 ILE MD . . 5.160 2.370 2.002 2.611 . 0 0 "[ . 1 . ]" 1
182 1 22 MET O 1 26 ILE H . . 2.300 2.197 1.924 2.327 0.027 11 0 "[ . 1 . ]" 1
183 1 22 MET O 1 26 ILE N . . 3.300 3.104 2.883 3.246 . 0 0 "[ . 1 . ]" 1
184 1 23 SER H 1 23 SER QB . . 3.900 2.229 2.100 2.561 . 0 0 "[ . 1 . ]" 1
185 1 23 SER HA 1 26 ILE H . . 3.790 3.600 3.386 3.736 . 0 0 "[ . 1 . ]" 1
186 1 23 SER HA 1 26 ILE MD . . 4.480 2.865 2.497 3.290 . 0 0 "[ . 1 . ]" 1
187 1 23 SER HA 1 26 ILE MG . . 5.540 4.583 4.437 4.609 . 0 0 "[ . 1 . ]" 1
188 1 23 SER QB 1 25 VAL H . . 6.040 4.583 4.430 4.798 . 0 0 "[ . 1 . ]" 1
189 1 23 SER O 1 27 GLU H . . 2.300 2.089 1.762 2.308 0.008 8 0 "[ . 1 . ]" 1
190 1 23 SER O 1 27 GLU N . . 3.300 2.986 2.695 3.200 . 0 0 "[ . 1 . ]" 1
191 1 24 LEU H 1 24 LEU MD2 . . 4.140 3.243 2.543 3.452 . 0 0 "[ . 1 . ]" 1
192 1 24 LEU H 1 24 LEU HG . . 3.730 2.315 1.959 2.547 . 0 0 "[ . 1 . ]" 1
193 1 24 LEU H 1 25 VAL H . . 2.990 2.529 2.444 2.655 . 0 0 "[ . 1 . ]" 1
194 1 24 LEU H 1 26 ILE H . . 4.690 4.300 4.043 4.562 . 0 0 "[ . 1 . ]" 1
195 1 24 LEU HA 1 27 GLU H . . 3.550 3.379 3.149 3.560 0.010 14 0 "[ . 1 . ]" 1
196 1 24 LEU QB 1 25 VAL H . . 4.730 2.911 2.700 3.607 . 0 0 "[ . 1 . ]" 1
197 1 24 LEU HG 1 25 VAL H . . 5.070 4.327 2.568 4.672 . 0 0 "[ . 1 . ]" 1
198 1 24 LEU O 1 28 MET H . . 2.300 2.150 1.757 2.316 0.016 3 0 "[ . 1 . ]" 1
199 1 24 LEU O 1 28 MET N . . 3.300 3.062 2.690 3.284 . 0 0 "[ . 1 . ]" 1
200 1 25 VAL H 1 25 VAL HB . . 2.990 2.138 2.105 2.173 . 0 0 "[ . 1 . ]" 1
201 1 25 VAL H 1 25 VAL MG1 . . 3.990 3.557 3.532 3.583 . 0 0 "[ . 1 . ]" 1
202 1 25 VAL H 1 25 VAL MG2 . . 3.430 2.777 2.702 2.846 . 0 0 "[ . 1 . ]" 1
203 1 25 VAL H 1 26 ILE H . . 3.450 2.599 2.456 2.701 . 0 0 "[ . 1 . ]" 1
204 1 25 VAL HA 1 25 VAL MG2 . . 3.490 2.134 2.019 2.246 . 0 0 "[ . 1 . ]" 1
205 1 25 VAL HA 1 28 MET H . . 4.480 3.829 3.419 4.251 . 0 0 "[ . 1 . ]" 1
206 1 25 VAL HA 1 30 LEU MD1 . . 3.800 2.482 1.994 2.858 . 0 0 "[ . 1 . ]" 1
207 1 25 VAL HB 1 26 ILE H . . 3.550 2.801 2.573 3.085 . 0 0 "[ . 1 . ]" 1
208 1 25 VAL MG1 2 44 LEU MD1 . . 5.730 2.491 1.732 3.279 . 0 0 "[ . 1 . ]" 1
209 1 25 VAL MG1 2 44 LEU MD2 . . 5.540 2.323 1.779 3.149 . 0 0 "[ . 1 . ]" 1
210 1 25 VAL MG2 2 44 LEU MD1 . . 7.560 2.865 2.446 3.604 . 0 0 "[ . 1 . ]" 1
211 1 25 VAL MG2 2 44 LEU MD2 . . 7.000 2.650 1.790 3.654 . 0 0 "[ . 1 . ]" 1
212 1 26 ILE H 1 26 ILE HG12 . . 4.480 3.978 3.891 4.160 . 0 0 "[ . 1 . ]" 1
213 1 26 ILE H 1 26 ILE QG . . 4.170 3.268 3.159 3.455 . 0 0 "[ . 1 . ]" 1
214 1 26 ILE H 1 26 ILE HG13 . . 4.480 3.474 3.341 3.692 . 0 0 "[ . 1 . ]" 1
215 1 26 ILE H 1 27 GLU H . . 3.390 2.437 2.174 2.606 . 0 0 "[ . 1 . ]" 1
216 1 26 ILE H 1 28 MET H . . 5.220 4.169 3.842 4.564 . 0 0 "[ . 1 . ]" 1
217 1 26 ILE HA 1 26 ILE MD . . 3.680 2.977 2.954 2.992 . 0 0 "[ . 1 . ]" 1
218 1 26 ILE HA 1 26 ILE QG . . 3.780 2.260 2.249 2.280 . 0 0 "[ . 1 . ]" 1
219 1 26 ILE HA 1 29 GLY H . . 3.730 3.606 3.450 3.737 0.007 4 0 "[ . 1 . ]" 1
220 1 26 ILE HB 1 27 GLU H . . 3.170 2.753 2.707 2.790 . 0 0 "[ . 1 . ]" 1
221 1 26 ILE MD 1 27 GLU H . . 4.700 3.829 3.813 3.846 . 0 0 "[ . 1 . ]" 1
222 1 26 ILE QG 1 27 GLU H . . 5.370 4.489 4.470 4.504 . 0 0 "[ . 1 . ]" 1
223 1 26 ILE HG12 1 27 GLU H . . 5.500 5.184 5.154 5.209 . 0 0 "[ . 1 . ]" 1
224 1 26 ILE HG13 1 27 GLU H . . 5.500 4.917 4.903 4.929 . 0 0 "[ . 1 . ]" 1
225 1 26 ILE MG 1 27 GLU H . . 4.170 3.356 3.305 3.387 . 0 0 "[ . 1 . ]" 1
226 1 26 ILE MG 1 27 GLU HA . . 4.260 3.293 3.239 3.372 . 0 0 "[ . 1 . ]" 1
227 1 27 GLU H 1 27 GLU HB2 . . 3.450 2.306 2.072 2.544 . 0 0 "[ . 1 . ]" 1
228 1 27 GLU H 1 27 GLU QB . . 3.170 2.179 2.051 2.261 . 0 0 "[ . 1 . ]" 1
229 1 27 GLU H 1 27 GLU HB3 . . 3.450 2.867 2.532 3.465 0.015 7 0 "[ . 1 . ]" 1
230 1 27 GLU H 1 27 GLU HG2 . . 5.500 4.291 3.058 4.658 . 0 0 "[ . 1 . ]" 1
231 1 27 GLU H 1 27 GLU HG3 . . 5.500 4.216 2.994 4.552 . 0 0 "[ . 1 . ]" 1
232 1 27 GLU H 1 28 MET H . . 3.210 2.718 2.580 2.933 . 0 0 "[ . 1 . ]" 1
233 1 27 GLU H 1 29 GLY H . . 4.040 4.064 4.049 4.075 0.035 11 0 "[ . 1 . ]" 1
234 1 27 GLU HA 1 27 GLU QG . . 3.750 2.363 2.001 2.994 . 0 0 "[ . 1 . ]" 1
235 1 28 MET H 1 28 MET HB2 . . 2.990 2.155 2.079 2.174 . 0 0 "[ . 1 . ]" 1
236 1 28 MET H 1 28 MET HB3 . . 2.990 3.058 3.046 3.091 0.101 4 0 "[ . 1 . ]" 1
237 1 28 MET H 1 28 MET HG2 . . 4.380 4.336 4.237 4.450 0.070 8 0 "[ . 1 . ]" 1
238 1 28 MET H 1 28 MET QG . . 4.020 3.691 3.619 3.710 . 0 0 "[ . 1 . ]" 1
239 1 28 MET H 1 28 MET HG3 . . 4.380 4.002 3.831 4.084 . 0 0 "[ . 1 . ]" 1
240 1 28 MET H 1 29 GLY H . . 3.170 2.374 2.327 2.459 . 0 0 "[ . 1 . ]" 1
241 1 28 MET H 1 30 LEU QB . . 5.880 5.143 5.060 5.183 . 0 0 "[ . 1 . ]" 1
242 1 28 MET H 1 30 LEU HG . . 5.500 3.773 3.565 4.031 . 0 0 "[ . 1 . ]" 1
243 1 28 MET HA 1 28 MET HG2 . . 3.240 2.212 2.080 2.535 . 0 0 "[ . 1 . ]" 1
244 1 28 MET HA 1 28 MET QG . . 3.050 2.128 2.048 2.217 . 0 0 "[ . 1 . ]" 1
245 1 28 MET HA 1 28 MET HG3 . . 3.240 2.841 2.448 3.066 . 0 0 "[ . 1 . ]" 1
246 1 28 MET HB2 1 29 GLY H . . 4.100 3.307 3.256 3.392 . 0 0 "[ . 1 . ]" 1
247 1 28 MET HB3 1 29 GLY H . . 4.100 2.791 2.761 2.901 . 0 0 "[ . 1 . ]" 1
248 1 28 MET ME 2 18 GLN HA . . 3.430 2.483 2.112 2.760 . 0 0 "[ . 1 . ]" 1
249 1 28 MET QG 1 30 LEU MD2 . . 7.400 3.637 3.440 4.133 . 0 0 "[ . 1 . ]" 1
250 1 28 MET HG2 1 29 GLY H . . 5.500 4.748 4.721 4.789 . 0 0 "[ . 1 . ]" 1
251 1 28 MET HG3 1 29 GLY H . . 5.500 5.137 5.031 5.202 . 0 0 "[ . 1 . ]" 1
252 1 29 GLY H 1 29 GLY HA2 . . 2.860 2.458 2.441 2.472 . 0 0 "[ . 1 . ]" 1
253 1 29 GLY H 1 29 GLY HA3 . . 2.860 2.948 2.947 2.949 0.089 4 0 "[ . 1 . ]" 1
254 1 29 GLY H 1 30 LEU H . . 3.300 1.968 1.922 2.021 . 0 0 "[ . 1 . ]" 1
255 1 29 GLY H 1 30 LEU HB2 . . 5.500 4.225 4.091 4.328 . 0 0 "[ . 1 . ]" 1
256 1 29 GLY H 1 30 LEU QB . . 5.320 4.070 3.967 4.155 . 0 0 "[ . 1 . ]" 1
257 1 29 GLY H 1 30 LEU HB3 . . 5.500 5.318 5.294 5.361 . 0 0 "[ . 1 . ]" 1
258 1 29 GLY H 1 30 LEU MD1 . . 5.410 4.599 4.565 4.615 . 0 0 "[ . 1 . ]" 1
259 1 29 GLY H 1 30 LEU MD2 . . 5.190 3.196 2.898 3.828 . 0 0 "[ . 1 . ]" 1
260 1 29 GLY H 1 30 LEU HG . . 5.500 3.081 3.056 3.121 . 0 0 "[ . 1 . ]" 1
261 1 29 GLY H 1 31 ASP H . . 4.660 4.020 3.870 4.240 . 0 0 "[ . 1 . ]" 1
262 1 30 LEU H 1 30 LEU HB2 . . 3.920 2.557 2.466 2.644 . 0 0 "[ . 1 . ]" 1
263 1 30 LEU H 1 30 LEU QB . . 3.500 2.506 2.427 2.584 . 0 0 "[ . 1 . ]" 1
264 1 30 LEU H 1 30 LEU HB3 . . 3.920 3.601 3.541 3.638 . 0 0 "[ . 1 . ]" 1
265 1 30 LEU H 1 30 LEU MD2 . . 4.200 2.641 2.443 3.211 . 0 0 "[ . 1 . ]" 1
266 1 30 LEU H 1 30 LEU HG . . 3.830 2.393 2.119 2.534 . 0 0 "[ . 1 . ]" 1
267 1 30 LEU H 1 31 ASP H . . 3.790 2.518 2.298 2.661 . 0 0 "[ . 1 . ]" 1
268 1 30 LEU H 1 32 ARG H . . 4.820 4.571 3.949 4.805 . 0 0 "[ . 1 . ]" 1
269 1 30 LEU HA 1 30 LEU MD1 . . 4.200 3.635 3.589 3.717 . 0 0 "[ . 1 . ]" 1
270 1 30 LEU MD1 2 18 GLN HA . . 4.640 2.941 2.388 3.510 . 0 0 "[ . 1 . ]" 1
271 1 30 LEU MD1 2 18 GLN QG . . 7.400 2.773 1.736 4.909 . 0 0 "[ . 1 . ]" 1
272 1 30 LEU MD1 2 22 LEU H . . 4.570 3.745 3.528 3.828 . 0 0 "[ . 1 . ]" 1
273 1 30 LEU MD1 2 44 LEU MD1 . . 7.560 4.802 4.336 5.047 . 0 0 "[ . 1 . ]" 1
274 1 30 LEU MD1 2 44 LEU MD2 . . 7.560 4.808 3.559 5.043 . 0 0 "[ . 1 . ]" 1
275 1 30 LEU MD1 2 46 HIS HD2 . . 6.530 4.825 4.457 5.263 . 0 0 "[ . 1 . ]" 1
276 1 30 LEU MD2 2 46 HIS HD2 . . 5.910 4.478 4.068 4.725 . 0 0 "[ . 1 . ]" 1
277 1 31 ASP H 1 32 ARG H . . 3.080 2.626 2.368 3.087 0.007 14 0 "[ . 1 . ]" 1
278 1 31 ASP HA 2 44 LEU MD1 . . 5.190 3.472 2.424 4.239 . 0 0 "[ . 1 . ]" 1
279 1 31 ASP HA 2 44 LEU MD2 . . 5.130 3.683 2.637 4.180 . 0 0 "[ . 1 . ]" 1
280 1 31 ASP QB 2 44 LEU MD1 . . 6.080 3.333 1.933 4.217 . 0 0 "[ . 1 . ]" 1
281 1 31 ASP QB 2 44 LEU MD2 . . 5.860 3.305 2.643 4.036 . 0 0 "[ . 1 . ]" 1
282 1 31 ASP HB2 1 32 ARG H . . 5.410 4.460 4.296 4.618 . 0 0 "[ . 1 . ]" 1
283 1 31 ASP HB2 2 44 LEU MD1 . . 6.220 4.133 2.937 5.128 . 0 0 "[ . 1 . ]" 1
284 1 31 ASP HB2 2 44 LEU MD2 . . 6.030 4.106 2.673 4.959 . 0 0 "[ . 1 . ]" 1
285 1 31 ASP HB3 1 32 ARG H . . 5.410 4.502 4.004 4.651 . 0 0 "[ . 1 . ]" 1
286 1 31 ASP HB3 2 44 LEU MD1 . . 6.220 3.724 1.957 5.047 . 0 0 "[ . 1 . ]" 1
287 1 31 ASP HB3 2 44 LEU MD2 . . 6.030 3.682 2.934 4.861 . 0 0 "[ . 1 . ]" 1
288 1 32 ARG H 1 32 ARG HB2 . . 3.760 3.306 3.031 3.777 0.017 1 0 "[ . 1 . ]" 1
289 1 32 ARG H 1 32 ARG QB . . 3.400 2.973 2.915 3.061 . 0 0 "[ . 1 . ]" 1
290 1 32 ARG H 1 32 ARG HB3 . . 3.760 3.443 3.213 3.782 0.022 3 0 "[ . 1 . ]" 1
291 1 32 ARG H 1 32 ARG QG . . 5.140 4.132 2.246 4.392 . 0 0 "[ . 1 . ]" 1
292 1 32 ARG H 1 33 ILE H . . 2.960 2.476 1.983 2.965 0.005 6 0 "[ . 1 . ]" 1
293 1 32 ARG H 1 33 ILE MD . . 5.230 4.063 3.736 4.327 . 0 0 "[ . 1 . ]" 1
294 1 32 ARG H 1 33 ILE QG . . 6.380 2.678 2.315 4.205 . 0 0 "[ . 1 . ]" 1
295 1 33 ILE H 1 33 ILE HB . . 3.670 2.716 2.608 3.697 0.027 5 0 "[ . 1 . ]" 1
296 1 33 ILE H 1 33 ILE HG12 . . 5.500 3.326 1.885 3.661 . 0 0 "[ . 1 . ]" 1
297 1 33 ILE H 1 33 ILE HG13 . . 5.500 2.253 1.979 3.432 . 0 0 "[ . 1 . ]" 1
298 1 33 ILE HB 2 46 HIS HD2 . . 4.790 4.303 3.590 4.789 . 0 0 "[ . 1 . ]" 1
299 1 33 ILE MD 1 36 LEU MD1 . . 4.920 2.466 1.897 3.079 . 0 0 "[ . 1 . ]" 1
300 1 33 ILE MD 1 36 LEU MD2 . . 5.700 3.660 3.335 3.781 . 0 0 "[ . 1 . ]" 1
301 1 33 ILE QG 2 46 HIS HD2 . . 6.380 3.686 2.983 4.333 . 0 0 "[ . 1 . ]" 1
302 1 33 ILE MG 1 36 LEU MD1 . . 5.450 2.741 2.021 3.206 . 0 0 "[ . 1 . ]" 1
303 1 33 ILE MG 1 36 LEU MD2 . . 7.560 4.308 3.865 4.986 . 0 0 "[ . 1 . ]" 1
304 1 34 LYS QB 1 35 GLU H . . 4.860 2.497 2.026 3.268 . 0 0 "[ . 1 . ]" 1
305 1 35 GLU HA 1 36 LEU H . . 2.620 2.146 2.141 2.154 . 0 0 "[ . 1 . ]" 1
306 1 35 GLU QG 1 36 LEU H . . 6.380 3.703 2.819 4.466 . 0 0 "[ . 1 . ]" 1
307 1 36 LEU H 1 36 LEU HB2 . . 3.830 2.512 2.210 2.726 . 0 0 "[ . 1 . ]" 1
308 1 36 LEU H 1 36 LEU QB . . 3.360 2.256 2.147 2.302 . 0 0 "[ . 1 . ]" 1
309 1 36 LEU H 1 36 LEU HB3 . . 3.830 2.607 2.362 2.916 . 0 0 "[ . 1 . ]" 1
310 1 36 LEU H 1 36 LEU MD1 . . 5.260 3.961 3.520 4.136 . 0 0 "[ . 1 . ]" 1
311 1 36 LEU H 1 36 LEU MD2 . . 5.230 4.250 4.125 4.312 . 0 0 "[ . 1 . ]" 1
312 1 36 LEU H 1 36 LEU HG . . 5.070 4.550 4.386 4.658 . 0 0 "[ . 1 . ]" 1
313 1 36 LEU HA 1 36 LEU MD1 . . 4.610 1.944 1.889 2.083 . 0 0 "[ . 1 . ]" 1
314 1 36 LEU QB 1 36 LEU HG . . 2.590 2.271 2.170 2.328 . 0 0 "[ . 1 . ]" 1
315 1 36 LEU QB 2 70 HIS HE1 . . 6.380 4.609 3.718 5.386 . 0 0 "[ . 1 . ]" 1
316 1 36 LEU MD1 1 37 PRO HD2 . . 4.420 1.931 1.814 2.412 . 0 0 "[ . 1 . ]" 1
317 1 36 LEU MD1 1 37 PRO QD . . 4.180 1.917 1.804 2.372 . 0 0 "[ . 1 . ]" 1
318 1 36 LEU MD1 1 37 PRO HD3 . . 4.420 3.298 2.957 3.508 . 0 0 "[ . 1 . ]" 1
319 1 36 LEU MD1 2 46 HIS HD2 . . 5.750 3.786 2.858 4.617 . 0 0 "[ . 1 . ]" 1
320 1 36 LEU MD1 2 50 MET ME . . 6.940 3.821 3.017 4.424 . 0 0 "[ . 1 . ]" 1
321 1 36 LEU MD1 2 70 HIS HE1 . . 6.220 4.466 3.568 5.217 . 0 0 "[ . 1 . ]" 1
322 1 36 LEU MD2 1 37 PRO QD . . 7.400 4.223 3.868 4.437 . 0 0 "[ . 1 . ]" 1
323 1 36 LEU MD2 2 46 HIS QB . . 7.400 4.940 4.216 5.436 . 0 0 "[ . 1 . ]" 1
324 1 36 LEU MD2 2 46 HIS HD2 . . 6.530 4.025 3.197 5.270 . 0 0 "[ . 1 . ]" 1
325 1 36 LEU MD2 2 50 MET ME . . 6.690 2.648 1.901 3.670 . 0 0 "[ . 1 . ]" 1
326 1 36 LEU MD2 2 70 HIS HD2 . . 6.530 3.517 2.997 4.076 . 0 0 "[ . 1 . ]" 1
327 1 36 LEU MD2 2 70 HIS HE1 . . 5.630 4.195 3.870 4.595 . 0 0 "[ . 1 . ]" 1
328 1 36 LEU HG 2 70 HIS HE1 . . 5.190 3.495 3.118 3.913 . 0 0 "[ . 1 . ]" 1
329 1 37 PRO HA 1 38 GLU H . . 2.650 2.365 2.345 2.374 . 0 0 "[ . 1 . ]" 1
330 1 37 PRO QB 1 38 GLU H . . 3.350 2.618 2.593 2.685 . 0 0 "[ . 1 . ]" 1
331 1 37 PRO QB 2 15 LEU MD1 . . 4.150 2.007 1.762 2.744 . 0 0 "[ . 1 . ]" 1
332 1 37 PRO QB 2 15 LEU MD2 . . 4.340 2.866 1.905 3.185 . 0 0 "[ . 1 . ]" 1
333 1 37 PRO HB2 1 38 GLU H . . 3.730 2.714 2.668 2.785 . 0 0 "[ . 1 . ]" 1
334 1 37 PRO HB2 2 15 LEU MD1 . . 4.480 2.063 1.814 2.867 . 0 0 "[ . 1 . ]" 1
335 1 37 PRO HB2 2 15 LEU MD2 . . 4.820 3.105 1.915 3.649 . 0 0 "[ . 1 . ]" 1
336 1 37 PRO HB3 1 38 GLU H . . 3.730 3.448 3.339 3.550 . 0 0 "[ . 1 . ]" 1
337 1 37 PRO HB3 2 15 LEU MD1 . . 4.480 2.789 2.208 3.515 . 0 0 "[ . 1 . ]" 1
338 1 37 PRO HB3 2 15 LEU MD2 . . 4.820 3.593 3.408 3.750 . 0 0 "[ . 1 . ]" 1
339 1 37 PRO QG 2 15 LEU MD2 . . 3.750 1.777 1.690 1.884 . 0 0 "[ . 1 . ]" 1
340 1 37 PRO HG2 2 15 LEU MD1 . . 3.680 2.108 1.873 2.553 . 0 0 "[ . 1 . ]" 1
341 1 37 PRO HG2 2 15 LEU MD2 . . 3.920 2.060 1.841 2.604 . 0 0 "[ . 1 . ]" 1
342 1 37 PRO HG3 2 15 LEU MD1 . . 3.680 2.155 1.927 2.724 . 0 0 "[ . 1 . ]" 1
343 1 37 PRO HG3 2 15 LEU MD2 . . 3.920 2.184 1.852 3.150 . 0 0 "[ . 1 . ]" 1
344 1 38 GLU H 1 38 GLU HB2 . . 3.520 2.221 2.126 2.255 . 0 0 "[ . 1 . ]" 1
345 1 38 GLU H 1 38 GLU QB . . 3.120 2.198 2.106 2.230 . 0 0 "[ . 1 . ]" 1
346 1 38 GLU H 1 38 GLU HB3 . . 3.520 3.502 3.424 3.532 0.012 3 0 "[ . 1 . ]" 1
347 1 38 GLU H 1 39 LEU H . . 4.600 4.585 4.549 4.632 0.032 2 0 "[ . 1 . ]" 1
348 1 38 GLU H 2 70 HIS HE1 . . 5.500 4.719 4.486 4.934 . 0 0 "[ . 1 . ]" 1
349 1 38 GLU HA 1 39 LEU H . . 3.330 2.253 2.214 2.314 . 0 0 "[ . 1 . ]" 1
350 1 38 GLU HA 2 70 HIS HE1 . . 3.110 2.288 2.205 2.431 . 0 0 "[ . 1 . ]" 1
351 1 38 GLU QB 1 40 TRP HE1 . . 4.550 3.185 2.892 3.345 . 0 0 "[ . 1 . ]" 1
352 1 38 GLU QB 2 9 ASP H . . 4.710 4.347 4.300 4.399 . 0 0 "[ . 1 . ]" 1
353 1 38 GLU QB 2 70 HIS HE1 . . 4.810 4.371 4.303 4.414 . 0 0 "[ . 1 . ]" 1
354 1 38 GLU HB2 1 39 LEU H . . 5.500 4.138 4.028 4.239 . 0 0 "[ . 1 . ]" 1
355 1 38 GLU HB2 1 40 TRP HE1 . . 4.690 4.587 4.292 4.733 0.043 2 0 "[ . 1 . ]" 1
356 1 38 GLU HB2 2 9 ASP H . . 5.190 4.778 4.625 4.925 . 0 0 "[ . 1 . ]" 1
357 1 38 GLU HB2 2 70 HIS HE1 . . 5.190 5.162 5.002 5.226 0.036 9 0 "[ . 1 . ]" 1
358 1 38 GLU HB3 1 39 LEU H . . 5.500 2.916 2.756 3.067 . 0 0 "[ . 1 . ]" 1
359 1 38 GLU HB3 1 40 TRP HE1 . . 4.690 3.250 2.940 3.423 . 0 0 "[ . 1 . ]" 1
360 1 38 GLU HB3 2 9 ASP H . . 5.190 5.003 4.902 5.112 . 0 0 "[ . 1 . ]" 1
361 1 38 GLU HB3 2 70 HIS HE1 . . 5.190 4.725 4.585 4.904 . 0 0 "[ . 1 . ]" 1
362 1 38 GLU QG 1 39 LEU H . . 6.380 3.715 3.177 4.242 . 0 0 "[ . 1 . ]" 1
363 1 38 GLU QG 2 70 HIS HE1 . . 6.380 3.646 3.112 4.035 . 0 0 "[ . 1 . ]" 1
364 1 39 LEU H 1 39 LEU MD1 . . 5.750 3.917 3.378 4.385 . 0 0 "[ . 1 . ]" 1
365 1 39 LEU HA 1 39 LEU MD1 . . 3.710 2.473 1.897 3.175 . 0 0 "[ . 1 . ]" 1
366 1 39 LEU HA 1 39 LEU MD2 . . 3.800 2.507 1.866 3.253 . 0 0 "[ . 1 . ]" 1
367 1 39 LEU HA 1 40 TRP H . . 3.480 2.209 2.195 2.230 . 0 0 "[ . 1 . ]" 1
368 1 39 LEU MD2 1 40 TRP H . . 6.530 3.999 3.127 4.783 . 0 0 "[ . 1 . ]" 1
369 1 39 LEU MD2 2 12 LYS HE2 . . 6.530 4.838 3.735 5.334 . 0 0 "[ . 1 . ]" 1
370 1 39 LEU MD2 2 12 LYS QE . . 6.300 4.341 3.610 4.774 . 0 0 "[ . 1 . ]" 1
371 1 39 LEU MD2 2 12 LYS HE3 . . 6.530 5.066 4.044 5.531 . 0 0 "[ . 1 . ]" 1
372 1 40 TRP HA 1 40 TRP HE3 . . 4.140 1.882 1.784 2.002 . 0 0 "[ . 1 . ]" 1
373 1 40 TRP HA 1 40 TRP HZ3 . . 5.500 4.206 4.122 4.316 . 0 0 "[ . 1 . ]" 1
374 1 40 TRP HA 1 41 LEU H . . 2.960 2.282 2.152 2.402 . 0 0 "[ . 1 . ]" 1
375 1 40 TRP QB 1 41 LEU H . . 4.200 2.760 2.398 3.596 . 0 0 "[ . 1 . ]" 1
376 1 40 TRP HB2 1 41 LEU H . . 4.380 3.920 3.662 4.417 0.037 15 0 "[ . 1 . ]" 1
377 1 40 TRP HB3 1 41 LEU H . . 4.380 2.832 2.431 3.808 . 0 0 "[ . 1 . ]" 1
378 1 40 TRP HD1 2 8 ALA HA . . 5.500 3.076 2.428 3.536 . 0 0 "[ . 1 . ]" 1
379 1 40 TRP HD1 2 8 ALA MB . . 6.430 2.609 2.218 2.864 . 0 0 "[ . 1 . ]" 1
380 1 40 TRP HE1 2 8 ALA HA . . 5.500 5.403 4.927 5.549 0.049 14 0 "[ . 1 . ]" 1
381 1 40 TRP HE1 2 8 ALA MB . . 5.970 4.709 4.201 4.861 . 0 0 "[ . 1 . ]" 1
382 1 40 TRP HE3 1 41 LEU H . . 5.500 3.186 2.983 3.584 . 0 0 "[ . 1 . ]" 1
383 1 40 TRP HH2 2 67 GLN HA . . 4.690 3.437 3.155 3.822 . 0 0 "[ . 1 . ]" 1
384 1 40 TRP HH2 2 74 SER H . . 5.410 4.845 4.482 5.422 0.012 6 0 "[ . 1 . ]" 1
385 1 40 TRP HZ3 2 67 GLN HA . . 4.850 4.910 4.895 4.931 0.081 9 0 "[ . 1 . ]" 1
386 1 40 TRP HZ3 2 76 GLN H . . 5.500 4.647 4.454 4.874 . 0 0 "[ . 1 . ]" 1
387 1 40 TRP HZ3 2 77 ILE H . . 5.500 5.627 5.586 5.654 0.154 14 0 "[ . 1 . ]" 1
388 1 41 LEU H 1 41 LEU QB . . 3.580 2.618 2.096 3.228 . 0 0 "[ . 1 . ]" 1
389 1 41 LEU H 1 41 LEU MD1 . . 4.670 3.325 1.938 3.909 . 0 0 "[ . 1 . ]" 1
390 1 41 LEU H 1 41 LEU MD2 . . 4.700 2.956 1.872 3.874 . 0 0 "[ . 1 . ]" 1
391 1 41 LEU H 1 41 LEU HG . . 5.340 2.686 1.962 4.671 . 0 0 "[ . 1 . ]" 1
392 1 41 LEU H 2 73 SER QB . . 6.380 5.713 5.416 5.797 . 0 0 "[ . 1 . ]" 1
393 1 41 LEU HA 1 42 GLY H . . 3.550 2.864 2.218 3.569 0.019 2 0 "[ . 1 . ]" 1
394 1 41 LEU MD2 2 12 LYS QE . . 7.400 4.521 2.279 5.350 . 0 0 "[ . 1 . ]" 1
395 1 42 GLY QA 1 44 ASN H . . 6.380 5.773 5.703 5.825 . 0 0 "[ . 1 . ]" 1
396 1 42 GLY QA 2 8 ALA H . . 6.190 5.287 4.496 5.597 . 0 0 "[ . 1 . ]" 1
397 1 42 GLY QA 2 9 ASP H . . 4.950 4.315 4.047 4.487 . 0 0 "[ . 1 . ]" 1
398 1 43 GLN H 1 43 GLN HB2 . . 3.760 2.397 2.063 3.544 . 0 0 "[ . 1 . ]" 1
399 1 43 GLN H 1 43 GLN QB . . 3.580 2.278 2.041 2.904 . 0 0 "[ . 1 . ]" 1
400 1 43 GLN H 1 43 GLN HB3 . . 3.760 3.334 2.283 3.828 0.068 9 0 "[ . 1 . ]" 1
401 1 43 GLN HA 1 44 ASN H . . 2.990 2.455 2.315 2.854 . 0 0 "[ . 1 . ]" 1
402 1 43 GLN HB2 1 44 ASN H . . 3.790 3.682 2.422 3.848 0.058 1 0 "[ . 1 . ]" 1
403 1 43 GLN HB3 1 44 ASN H . . 3.790 2.641 2.285 3.827 0.037 8 0 "[ . 1 . ]" 1
404 1 43 GLN QG 1 44 ASN H . . 6.380 3.201 1.888 4.271 . 0 0 "[ . 1 . ]" 1
405 1 44 ASN H 1 44 ASN HB2 . . 3.790 2.929 2.328 3.761 . 0 0 "[ . 1 . ]" 1
406 1 44 ASN H 1 44 ASN QB . . 3.500 2.607 2.287 2.963 . 0 0 "[ . 1 . ]" 1
407 1 44 ASN H 1 44 ASN HB3 . . 3.790 3.390 2.866 3.788 . 0 0 "[ . 1 . ]" 1
408 1 44 ASN H 1 44 ASN HD21 . . 5.500 3.772 2.014 4.897 . 0 0 "[ . 1 . ]" 1
409 1 44 ASN H 1 44 ASN HD22 . . 5.500 4.410 3.033 5.319 . 0 0 "[ . 1 . ]" 1
410 1 44 ASN H 1 45 GLU H . . 3.610 2.357 2.018 2.923 . 0 0 "[ . 1 . ]" 1
411 1 44 ASN HA 1 45 GLU H . . 3.360 3.172 2.746 3.406 0.046 1 0 "[ . 1 . ]" 1
412 1 44 ASN QB 1 45 GLU H . . 4.460 3.601 3.087 4.041 . 0 0 "[ . 1 . ]" 1
413 1 44 ASN HB2 1 45 GLU H . . 4.660 3.913 3.207 4.478 . 0 0 "[ . 1 . ]" 1
414 1 44 ASN HB3 1 45 GLU H . . 4.660 4.276 3.577 4.653 . 0 0 "[ . 1 . ]" 1
415 1 45 GLU H 1 45 GLU HB2 . . 3.860 2.190 2.119 2.299 . 0 0 "[ . 1 . ]" 1
416 1 45 GLU H 1 45 GLU HB3 . . 3.860 3.329 3.075 3.542 . 0 0 "[ . 1 . ]" 1
417 1 45 GLU H 1 45 GLU HG2 . . 5.310 3.998 3.104 4.654 . 0 0 "[ . 1 . ]" 1
418 1 45 GLU H 1 45 GLU QG . . 4.890 3.548 2.902 4.000 . 0 0 "[ . 1 . ]" 1
419 1 45 GLU H 1 45 GLU HG3 . . 5.310 4.102 3.340 4.446 . 0 0 "[ . 1 . ]" 1
420 1 45 GLU HA 1 46 PHE H . . 3.210 3.305 3.271 3.398 0.188 9 0 "[ . 1 . ]" 1
421 1 45 GLU QB 1 46 PHE H . . 3.660 3.301 3.014 3.381 . 0 0 "[ . 1 . ]" 1
422 1 45 GLU HB2 1 46 PHE H . . 3.890 3.670 3.189 3.894 0.004 4 0 "[ . 1 . ]" 1
423 1 45 GLU HB3 1 46 PHE H . . 3.890 3.774 3.549 3.898 0.008 16 0 "[ . 1 . ]" 1
424 1 46 PHE H 1 46 PHE HB2 . . 3.420 2.502 2.305 2.558 . 0 0 "[ . 1 . ]" 1
425 1 46 PHE H 1 46 PHE QB . . 3.160 2.445 2.268 2.494 . 0 0 "[ . 1 . ]" 1
426 1 46 PHE H 1 46 PHE HB3 . . 3.420 3.442 3.352 3.603 0.183 7 0 "[ . 1 . ]" 1
427 1 46 PHE HA 1 47 ASP H . . 3.270 2.960 2.858 3.061 . 0 0 "[ . 1 . ]" 1
428 1 46 PHE QB 1 47 ASP H . . 3.890 3.689 3.642 3.726 . 0 0 "[ . 1 . ]" 1
429 1 46 PHE QB 2 80 HIS HE1 . . 6.380 5.587 5.394 5.687 . 0 0 "[ . 1 . ]" 1
430 1 46 PHE HB2 1 47 ASP H . . 4.140 4.132 4.030 4.184 0.044 16 0 "[ . 1 . ]" 1
431 1 46 PHE HB3 1 47 ASP H . . 4.140 4.151 4.064 4.315 0.175 7 0 "[ . 1 . ]" 1
432 1 46 PHE QD 1 47 ASP H . . 7.620 4.801 4.611 4.989 . 0 0 "[ . 1 . ]" 1
433 1 46 PHE QD 2 16 ILE MD . . 8.090 4.220 3.148 5.422 . 0 0 "[ . 1 . ]" 1
434 1 46 PHE QD 2 16 ILE MG . . 6.980 4.020 3.043 5.349 . 0 0 "[ . 1 . ]" 1
435 1 46 PHE QD 2 80 HIS HE1 . . 7.620 4.062 3.394 5.377 . 0 0 "[ . 1 . ]" 1
436 1 46 PHE QE 2 16 ILE MD . . 8.460 5.059 3.824 5.969 . 0 0 "[ . 1 . ]" 1
437 1 46 PHE QE 2 16 ILE MG . . 7.320 3.776 2.103 5.565 . 0 0 "[ . 1 . ]" 1
438 1 46 PHE O 1 49 MET H . . 2.300 2.163 1.983 2.248 . 0 0 "[ . 1 . ]" 1
439 1 46 PHE O 1 49 MET N . . 3.300 3.083 2.912 3.177 . 0 0 "[ . 1 . ]" 1
440 1 47 ASP H 1 47 ASP HB2 . . 3.360 2.305 2.067 3.533 0.173 4 0 "[ . 1 . ]" 1
441 1 47 ASP H 1 47 ASP HB3 . . 3.360 3.018 2.414 3.365 0.005 10 0 "[ . 1 . ]" 1
442 1 47 ASP HA 1 48 PHE H . . 3.330 3.377 3.357 3.406 0.076 5 0 "[ . 1 . ]" 1
443 1 47 ASP HB2 1 48 PHE H . . 4.140 3.888 3.517 4.173 0.033 11 0 "[ . 1 . ]" 1
444 1 47 ASP HB3 1 48 PHE H . . 4.140 3.562 3.163 4.188 0.048 11 0 "[ . 1 . ]" 1
445 1 47 ASP O 1 50 THR H . . 2.300 2.312 2.302 2.333 0.033 10 0 "[ . 1 . ]" 1
446 1 47 ASP O 1 50 THR N . . 3.300 3.149 3.102 3.264 . 0 0 "[ . 1 . ]" 1
447 1 48 PHE H 1 48 PHE HB2 . . 3.790 2.195 2.072 2.708 . 0 0 "[ . 1 . ]" 1
448 1 48 PHE H 1 48 PHE QB . . 3.500 2.168 2.053 2.631 . 0 0 "[ . 1 . ]" 1
449 1 48 PHE H 1 48 PHE HB3 . . 3.790 3.416 2.947 3.575 . 0 0 "[ . 1 . ]" 1
450 1 48 PHE HA 1 49 MET H . . 3.360 3.362 3.347 3.373 0.013 1 0 "[ . 1 . ]" 1
451 1 48 PHE QB 1 49 MET H . . 4.230 3.291 3.254 3.316 . 0 0 "[ . 1 . ]" 1
452 1 48 PHE HB2 1 49 MET H . . 4.380 3.595 3.378 4.033 . 0 0 "[ . 1 . ]" 1
453 1 48 PHE HB2 2 80 HIS HE1 . . 5.500 4.910 3.889 5.474 . 0 0 "[ . 1 . ]" 1
454 1 48 PHE HB3 1 49 MET H . . 4.380 3.879 3.482 4.323 . 0 0 "[ . 1 . ]" 1
455 1 48 PHE HB3 2 80 HIS HE1 . . 5.500 4.820 3.414 5.506 0.006 9 0 "[ . 1 . ]" 1
456 1 48 PHE QD 1 49 MET H . . 7.620 4.724 4.504 4.919 . 0 0 "[ . 1 . ]" 1
457 1 48 PHE QD 2 80 HIS HE1 . . 7.620 5.798 3.951 6.785 . 0 0 "[ . 1 . ]" 1
458 1 49 MET H 1 49 MET HG2 . . 4.320 3.252 2.158 3.821 . 0 0 "[ . 1 . ]" 1
459 1 49 MET H 1 49 MET HG3 . . 4.320 2.517 2.035 3.962 . 0 0 "[ . 1 . ]" 1
460 1 49 MET HA 1 50 THR H . . 3.110 3.200 3.147 3.321 0.211 10 0 "[ . 1 . ]" 1
461 1 49 MET ME 2 13 ARG HA . . 3.890 3.044 2.894 3.323 . 0 0 "[ . 1 . ]" 1
462 1 49 MET ME 2 16 ILE MD . . 7.000 1.850 1.636 3.105 . 0 0 "[ . 1 . ]" 1
463 1 49 MET ME 2 77 ILE MG . . 5.570 3.547 3.377 3.683 . 0 0 "[ . 1 . ]" 1
464 1 50 THR H 1 50 THR HB . . 3.640 3.596 3.432 3.680 0.040 2 0 "[ . 1 . ]" 1
465 1 50 THR H 1 50 THR MG . . 4.020 2.783 1.978 3.258 . 0 0 "[ . 1 . ]" 1
466 1 50 THR H 1 51 ASP H . . 3.080 2.600 2.038 3.088 0.008 3 0 "[ . 1 . ]" 1
467 1 50 THR HA 1 52 PHE H . . 4.320 3.879 3.616 4.292 . 0 0 "[ . 1 . ]" 1
468 1 50 THR HB 1 51 ASP H . . 3.550 3.094 2.135 3.577 0.027 11 0 "[ . 1 . ]" 1
469 1 50 THR HB 1 52 PHE H . . 4.260 3.164 2.147 4.296 0.036 9 0 "[ . 1 . ]" 1
470 1 50 THR MG 1 51 ASP H . . 4.880 3.278 1.871 4.029 . 0 0 "[ . 1 . ]" 1
471 1 50 THR MG 1 52 PHE H . . 5.940 4.072 3.591 5.024 . 0 0 "[ . 1 . ]" 1
472 1 51 ASP H 1 51 ASP HB2 . . 3.580 2.884 2.184 3.057 . 0 0 "[ . 1 . ]" 1
473 1 51 ASP H 1 51 ASP QB . . 3.300 2.782 2.155 2.931 . 0 0 "[ . 1 . ]" 1
474 1 51 ASP H 1 51 ASP HB3 . . 3.580 3.687 3.265 3.778 0.198 14 0 "[ . 1 . ]" 1
475 1 51 ASP H 1 52 PHE H . . 3.240 2.574 2.393 2.630 . 0 0 "[ . 1 . ]" 1
476 1 51 ASP H 1 52 PHE QD . . 7.620 5.965 4.485 6.555 . 0 0 "[ . 1 . ]" 1
477 1 51 ASP HA 1 52 PHE H . . 2.960 3.093 3.084 3.101 0.141 6 0 "[ . 1 . ]" 1
478 1 51 ASP QB 1 52 PHE H . . 3.790 3.501 3.478 3.557 . 0 0 "[ . 1 . ]" 1
479 1 51 ASP HB2 1 52 PHE H . . 4.010 4.154 3.967 4.194 0.184 8 0 "[ . 1 . ]" 1
480 1 51 ASP HB3 1 52 PHE H . . 4.010 3.780 3.714 4.008 . 0 0 "[ . 1 . ]" 1
481 1 52 PHE H 1 52 PHE HB2 . . 3.420 2.706 2.085 3.382 . 0 0 "[ . 1 . ]" 1
482 1 52 PHE H 1 52 PHE QB . . 3.200 2.482 2.065 2.921 . 0 0 "[ . 1 . ]" 1
483 1 52 PHE H 1 52 PHE HB3 . . 3.420 3.070 2.518 3.422 0.002 17 0 "[ . 1 . ]" 1
484 2 5 ALA H 2 6 HIS H . . 3.610 3.292 2.611 3.719 0.109 12 0 "[ . 1 . ]" 1
485 2 5 ALA HA 2 6 HIS H . . 3.020 2.603 2.189 3.223 0.203 17 0 "[ . 1 . ]" 1
486 2 5 ALA MB 2 7 THR H . . 5.290 3.849 2.870 4.376 . 0 0 "[ . 1 . ]" 1
487 2 6 HIS H 2 7 THR H . . 3.980 2.527 2.041 3.679 . 0 0 "[ . 1 . ]" 1
488 2 6 HIS QB 2 7 THR H . . 4.030 3.173 2.078 3.716 . 0 0 "[ . 1 . ]" 1
489 2 6 HIS HB2 2 7 THR H . . 4.320 3.651 2.511 4.318 . 0 0 "[ . 1 . ]" 1
490 2 6 HIS HB3 2 7 THR H . . 4.320 3.638 2.099 4.335 0.015 11 0 "[ . 1 . ]" 1
491 2 7 THR H 2 7 THR HB . . 3.550 3.111 2.155 3.593 0.043 4 0 "[ . 1 . ]" 1
492 2 7 THR H 2 7 THR MG . . 4.200 2.997 1.912 3.710 . 0 0 "[ . 1 . ]" 1
493 2 7 THR H 2 8 ALA H . . 3.330 2.972 1.998 3.375 0.045 7 0 "[ . 1 . ]" 1
494 2 7 THR HA 2 8 ALA H . . 3.170 3.408 3.316 3.491 0.321 13 0 "[ . 1 . ]" 1
495 2 7 THR HB 2 8 ALA H . . 3.450 2.683 1.925 3.520 0.070 15 0 "[ . 1 . ]" 1
496 2 7 THR MG 2 8 ALA H . . 4.360 3.186 1.923 3.687 . 0 0 "[ . 1 . ]" 1
497 2 8 ALA H 2 8 ALA HA . . 2.650 2.669 2.269 2.792 0.142 13 0 "[ . 1 . ]" 1
498 2 8 ALA H 2 8 ALA MB . . 3.430 2.560 2.142 2.919 . 0 0 "[ . 1 . ]" 1
499 2 8 ALA HA 2 9 ASP H . . 2.590 2.361 2.130 2.649 0.059 1 0 "[ . 1 . ]" 1
500 2 8 ALA MB 2 9 ASP H . . 3.920 2.649 1.908 3.350 . 0 0 "[ . 1 . ]" 1
501 2 9 ASP H 2 9 ASP HB2 . . 3.240 2.680 2.113 3.433 0.193 3 0 "[ . 1 . ]" 1
502 2 9 ASP H 2 9 ASP HB3 . . 3.240 3.191 2.855 3.344 0.104 3 0 "[ . 1 . ]" 1
503 2 9 ASP HA 2 10 PRO QG . . 5.580 3.983 3.784 4.225 . 0 0 "[ . 1 . ]" 1
504 2 9 ASP HA 2 12 LYS H . . 5.070 4.900 4.703 5.088 0.018 17 0 "[ . 1 . ]" 1
505 2 10 PRO HA 2 11 GLU H . . 3.520 3.481 3.416 3.522 0.002 2 0 "[ . 1 . ]" 1
506 2 10 PRO HA 2 13 ARG H . . 3.670 3.800 3.744 3.835 0.165 14 0 "[ . 1 . ]" 1
507 2 10 PRO QD 2 11 GLU H . . 5.110 2.749 2.170 2.995 . 0 0 "[ . 1 . ]" 1
508 2 11 GLU H 2 11 GLU HG2 . . 5.250 3.765 2.018 4.635 . 0 0 "[ . 1 . ]" 1
509 2 11 GLU H 2 11 GLU QG . . 4.790 3.104 2.007 4.043 . 0 0 "[ . 1 . ]" 1
510 2 11 GLU H 2 11 GLU HG3 . . 5.250 3.499 2.094 4.490 . 0 0 "[ . 1 . ]" 1
511 2 11 GLU H 2 12 LYS H . . 2.960 2.614 2.552 2.677 . 0 0 "[ . 1 . ]" 1
512 2 11 GLU H 2 12 LYS QG . . 6.380 4.440 3.678 5.781 . 0 0 "[ . 1 . ]" 1
513 2 11 GLU HA 2 12 LYS H . . 3.360 3.354 3.338 3.362 0.002 2 0 "[ . 1 . ]" 1
514 2 11 GLU QB 2 12 LYS H . . 4.550 3.223 3.167 3.758 . 0 0 "[ . 1 . ]" 1
515 2 11 GLU HG2 2 12 LYS H . . 5.500 4.840 2.622 5.497 . 0 0 "[ . 1 . ]" 1
516 2 11 GLU HG3 2 12 LYS H . . 5.500 4.856 3.823 5.372 . 0 0 "[ . 1 . ]" 1
517 2 11 GLU O 2 15 LEU H . . 2.500 1.839 1.476 2.303 . 0 0 "[ . 1 . ]" 1
518 2 11 GLU O 2 15 LEU N . . 3.500 2.744 2.395 3.205 . 0 0 "[ . 1 . ]" 1
519 2 12 LYS H 2 12 LYS QB . . 3.530 2.375 2.066 2.606 . 0 0 "[ . 1 . ]" 1
520 2 12 LYS H 2 12 LYS QE . . 6.380 4.740 3.936 5.731 . 0 0 "[ . 1 . ]" 1
521 2 12 LYS H 2 13 ARG H . . 3.300 2.770 2.597 2.936 . 0 0 "[ . 1 . ]" 1
522 2 12 LYS H 2 14 LYS H . . 3.920 4.085 4.041 4.132 0.212 8 0 "[ . 1 . ]" 1
523 2 12 LYS HA 2 14 LYS H . . 4.350 4.154 3.853 4.366 0.016 4 0 "[ . 1 . ]" 1
524 2 12 LYS HA 2 15 LEU H . . 3.790 3.076 2.799 3.376 . 0 0 "[ . 1 . ]" 1
525 2 12 LYS O 2 16 ILE H . . 2.300 1.624 1.410 1.796 . 0 0 "[ . 1 . ]" 1
526 2 12 LYS O 2 16 ILE N . . 3.300 2.389 2.248 2.473 . 0 0 "[ . 1 . ]" 1
527 2 13 ARG H 2 13 ARG HD2 . . 5.500 4.513 3.329 4.927 . 0 0 "[ . 1 . ]" 1
528 2 13 ARG H 2 13 ARG HD3 . . 5.500 4.245 3.340 5.208 . 0 0 "[ . 1 . ]" 1
529 2 13 ARG H 2 13 ARG HG2 . . 4.760 2.776 2.258 4.433 . 0 0 "[ . 1 . ]" 1
530 2 13 ARG H 2 13 ARG QG . . 4.470 2.551 1.969 4.035 . 0 0 "[ . 1 . ]" 1
531 2 13 ARG H 2 13 ARG HG3 . . 4.760 3.389 2.073 4.643 . 0 0 "[ . 1 . ]" 1
532 2 13 ARG H 2 14 LYS H . . 2.930 2.700 2.590 2.804 . 0 0 "[ . 1 . ]" 1
533 2 13 ARG H 2 15 LEU H . . 4.630 4.047 3.928 4.246 . 0 0 "[ . 1 . ]" 1
534 2 13 ARG H 2 16 ILE MD . . 6.220 3.602 2.945 4.903 . 0 0 "[ . 1 . ]" 1
535 2 13 ARG H 2 16 ILE QG . . 6.380 5.018 3.567 5.769 . 0 0 "[ . 1 . ]" 1
536 2 13 ARG HA 2 13 ARG HG2 . . 4.170 3.523 2.513 4.085 . 0 0 "[ . 1 . ]" 1
537 2 13 ARG HA 2 13 ARG QG . . 3.780 3.154 2.451 3.358 . 0 0 "[ . 1 . ]" 1
538 2 13 ARG HA 2 13 ARG HG3 . . 4.170 3.681 3.409 3.960 . 0 0 "[ . 1 . ]" 1
539 2 13 ARG HA 2 15 LEU H . . 4.570 4.466 4.211 4.596 0.026 17 0 "[ . 1 . ]" 1
540 2 13 ARG HA 2 16 ILE H . . 4.200 3.307 3.057 3.510 . 0 0 "[ . 1 . ]" 1
541 2 13 ARG HA 2 16 ILE MD . . 4.200 2.263 1.822 3.605 . 0 0 "[ . 1 . ]" 1
542 2 13 ARG HA 2 16 ILE MG . . 4.790 3.408 2.665 3.736 . 0 0 "[ . 1 . ]" 1
543 2 13 ARG O 2 17 GLN H . . 2.300 2.411 2.365 2.437 0.137 2 0 "[ . 1 . ]" 1
544 2 13 ARG O 2 17 GLN N . . 3.300 3.334 3.292 3.364 0.064 17 0 "[ . 1 . ]" 1
545 2 14 LYS H 2 14 LYS HG2 . . 4.230 3.375 2.221 4.015 . 0 0 "[ . 1 . ]" 1
546 2 14 LYS H 2 14 LYS QG . . 3.940 2.946 2.111 3.588 . 0 0 "[ . 1 . ]" 1
547 2 14 LYS H 2 14 LYS HG3 . . 4.230 3.477 2.196 4.298 0.068 15 0 "[ . 1 . ]" 1
548 2 14 LYS H 2 15 LEU H . . 3.210 2.472 2.422 2.514 . 0 0 "[ . 1 . ]" 1
549 2 14 LYS H 2 16 ILE H . . 4.630 3.645 3.541 3.732 . 0 0 "[ . 1 . ]" 1
550 2 14 LYS HA 2 17 GLN H . . 3.950 3.638 3.492 3.894 . 0 0 "[ . 1 . ]" 1
551 2 14 LYS QG 2 15 LEU H . . 6.380 3.923 2.742 4.482 . 0 0 "[ . 1 . ]" 1
552 2 14 LYS O 2 18 GLN H . . 2.300 2.341 2.322 2.368 0.068 12 0 "[ . 1 . ]" 1
553 2 14 LYS O 2 18 GLN N . . 3.300 3.317 3.301 3.339 0.039 12 0 "[ . 1 . ]" 1
554 2 15 LEU H 2 15 LEU QB . . 3.670 2.281 2.063 2.492 . 0 0 "[ . 1 . ]" 1
555 2 15 LEU H 2 16 ILE H . . 3.270 2.467 2.392 2.505 . 0 0 "[ . 1 . ]" 1
556 2 15 LEU H 2 17 GLN H . . 4.570 4.345 4.163 4.539 . 0 0 "[ . 1 . ]" 1
557 2 15 LEU HA 2 18 GLN H . . 3.830 3.280 3.147 3.399 . 0 0 "[ . 1 . ]" 1
558 2 15 LEU QB 2 16 ILE H . . 4.710 2.925 2.814 3.015 . 0 0 "[ . 1 . ]" 1
559 2 15 LEU QB 2 18 GLN H . . 5.850 4.895 4.678 5.132 . 0 0 "[ . 1 . ]" 1
560 2 15 LEU QD 2 18 GLN H . . 6.640 4.677 4.532 4.821 . 0 0 "[ . 1 . ]" 1
561 2 15 LEU QD 2 18 GLN HE21 . . 6.360 2.959 1.965 3.899 . 0 0 "[ . 1 . ]" 1
562 2 15 LEU QD 2 18 GLN QE . . 6.210 2.476 1.825 3.166 . 0 0 "[ . 1 . ]" 1
563 2 15 LEU QD 2 18 GLN HE22 . . 6.360 2.706 2.143 3.508 . 0 0 "[ . 1 . ]" 1
564 2 15 LEU O 2 19 GLN H . . 2.300 1.551 1.486 1.737 . 0 0 "[ . 1 . ]" 1
565 2 15 LEU O 2 19 GLN N . . 3.300 2.434 2.360 2.539 . 0 0 "[ . 1 . ]" 1
566 2 16 ILE H 2 16 ILE MD . . 4.480 3.191 2.756 3.486 . 0 0 "[ . 1 . ]" 1
567 2 16 ILE H 2 16 ILE QG . . 5.080 3.125 2.183 3.885 . 0 0 "[ . 1 . ]" 1
568 2 16 ILE H 2 16 ILE MG . . 4.200 3.508 3.078 3.719 . 0 0 "[ . 1 . ]" 1
569 2 16 ILE H 2 17 GLN H . . 3.580 2.655 2.537 2.806 . 0 0 "[ . 1 . ]" 1
570 2 16 ILE H 2 18 GLN H . . 4.200 4.183 4.086 4.236 0.036 2 0 "[ . 1 . ]" 1
571 2 16 ILE HA 2 16 ILE MD . . 4.570 3.187 1.940 3.821 . 0 0 "[ . 1 . ]" 1
572 2 16 ILE HA 2 16 ILE HG12 . . 3.550 3.037 2.607 3.520 . 0 0 "[ . 1 . ]" 1
573 2 16 ILE HA 2 16 ILE QG . . 3.020 2.174 1.941 2.724 . 0 0 "[ . 1 . ]" 1
574 2 16 ILE HA 2 16 ILE HG13 . . 3.550 2.346 1.956 3.640 0.090 3 0 "[ . 1 . ]" 1
575 2 16 ILE HA 2 19 GLN H . . 4.690 3.565 3.359 4.129 . 0 0 "[ . 1 . ]" 1
576 2 16 ILE HA 2 77 ILE MD . . 3.950 2.963 2.880 3.118 . 0 0 "[ . 1 . ]" 1
577 2 16 ILE HB 2 17 GLN H . . 2.990 2.756 2.345 3.150 0.160 7 0 "[ . 1 . ]" 1
578 2 16 ILE MD 2 17 GLN H . . 6.370 4.501 4.240 4.720 . 0 0 "[ . 1 . ]" 1
579 2 16 ILE HG12 2 17 GLN H . . 5.500 4.946 4.293 5.199 . 0 0 "[ . 1 . ]" 1
580 2 16 ILE HG13 2 17 GLN H . . 5.500 4.712 4.424 4.853 . 0 0 "[ . 1 . ]" 1
581 2 16 ILE MG 2 17 GLN H . . 4.450 2.564 1.952 3.210 . 0 0 "[ . 1 . ]" 1
582 2 16 ILE O 2 20 LEU H . . 2.300 1.654 1.504 2.052 . 0 0 "[ . 1 . ]" 1
583 2 16 ILE O 2 20 LEU N . . 3.300 2.607 2.464 2.953 . 0 0 "[ . 1 . ]" 1
584 2 17 GLN H 2 17 GLN HG2 . . 5.310 3.965 2.501 4.619 . 0 0 "[ . 1 . ]" 1
585 2 17 GLN H 2 17 GLN QG . . 4.570 3.189 2.024 3.976 . 0 0 "[ . 1 . ]" 1
586 2 17 GLN H 2 17 GLN HG3 . . 5.310 3.446 2.138 4.412 . 0 0 "[ . 1 . ]" 1
587 2 17 GLN H 2 18 GLN H . . 3.420 2.789 2.685 2.881 . 0 0 "[ . 1 . ]" 1
588 2 17 GLN HA 2 20 LEU HB2 . . 4.790 2.789 2.494 3.017 . 0 0 "[ . 1 . ]" 1
589 2 17 GLN HA 2 20 LEU QB . . 3.930 2.724 2.459 2.928 . 0 0 "[ . 1 . ]" 1
590 2 17 GLN HA 2 20 LEU HB3 . . 4.790 3.831 3.650 4.009 . 0 0 "[ . 1 . ]" 1
591 2 17 GLN QB 2 95 LEU MD1 . . 7.060 4.047 3.034 5.122 . 0 0 "[ . 1 . ]" 1
592 2 17 GLN QE 2 91 VAL MG1 . . 5.500 3.085 1.958 3.614 . 0 0 "[ . 1 . ]" 1
593 2 17 GLN QE 2 94 PRO QG . . 5.140 3.197 1.966 3.779 . 0 0 "[ . 1 . ]" 1
594 2 17 GLN HE21 2 91 VAL HA . . 4.820 2.345 2.013 2.948 . 0 0 "[ . 1 . ]" 1
595 2 17 GLN HE21 2 91 VAL MG1 . . 6.120 3.183 1.970 3.913 . 0 0 "[ . 1 . ]" 1
596 2 17 GLN HE21 2 94 PRO QD . . 6.380 4.853 3.905 5.614 . 0 0 "[ . 1 . ]" 1
597 2 17 GLN HE21 2 94 PRO HG2 . . 5.500 3.717 2.118 4.939 . 0 0 "[ . 1 . ]" 1
598 2 17 GLN HE21 2 94 PRO HG3 . . 5.500 4.596 2.594 5.513 0.013 3 0 "[ . 1 . ]" 1
599 2 17 GLN HE22 2 91 VAL HA . . 4.820 3.540 2.757 4.027 . 0 0 "[ . 1 . ]" 1
600 2 17 GLN HE22 2 91 VAL MG1 . . 6.120 4.344 3.436 4.906 . 0 0 "[ . 1 . ]" 1
601 2 17 GLN HE22 2 94 PRO QD . . 6.380 5.197 4.114 5.727 . 0 0 "[ . 1 . ]" 1
602 2 17 GLN HE22 2 94 PRO HG2 . . 5.500 4.084 3.262 4.863 . 0 0 "[ . 1 . ]" 1
603 2 17 GLN HE22 2 94 PRO HG3 . . 5.500 4.468 2.792 5.500 . 14 0 "[ . 1 . ]" 1
604 2 17 GLN O 2 21 VAL H . . 2.300 2.399 2.369 2.434 0.134 2 0 "[ . 1 . ]" 1
605 2 17 GLN O 2 21 VAL N . . 3.300 3.242 3.200 3.301 0.001 2 0 "[ . 1 . ]" 1
606 2 18 GLN H 2 18 GLN QG . . 4.800 3.142 1.920 3.996 . 0 0 "[ . 1 . ]" 1
607 2 18 GLN H 2 19 GLN H . . 3.390 2.645 2.550 2.834 . 0 0 "[ . 1 . ]" 1
608 2 18 GLN HA 2 21 VAL H . . 3.450 3.476 3.400 3.534 0.084 17 0 "[ . 1 . ]" 1
609 2 18 GLN QG 2 19 GLN H . . 6.280 2.943 2.023 3.879 . 0 0 "[ . 1 . ]" 1
610 2 18 GLN O 2 22 LEU H . . 2.300 2.370 2.332 2.439 0.139 5 0 "[ . 1 . ]" 1
611 2 18 GLN O 2 22 LEU N . . 3.300 3.199 3.108 3.291 . 0 0 "[ . 1 . ]" 1
612 2 19 GLN H 2 20 LEU H . . 3.550 2.759 2.634 2.853 . 0 0 "[ . 1 . ]" 1
613 2 19 GLN HA 2 21 VAL H . . 3.730 3.958 3.932 4.004 0.274 5 0 "[ . 1 . ]" 1
614 2 19 GLN HA 2 22 LEU H . . 3.890 3.043 2.939 3.164 . 0 0 "[ . 1 . ]" 1
615 2 19 GLN O 2 23 LEU H . . 2.300 1.764 1.695 1.841 . 0 0 "[ . 1 . ]" 1
616 2 19 GLN O 2 23 LEU N . . 3.300 2.631 2.528 2.724 . 0 0 "[ . 1 . ]" 1
617 2 20 LEU H 2 20 LEU HB2 . . 3.270 2.054 2.033 2.067 . 0 0 "[ . 1 . ]" 1
618 2 20 LEU H 2 20 LEU QB . . 3.020 2.033 2.012 2.046 . 0 0 "[ . 1 . ]" 1
619 2 20 LEU H 2 20 LEU HB3 . . 3.270 3.274 3.225 3.324 0.054 5 0 "[ . 1 . ]" 1
620 2 20 LEU H 2 20 LEU MD1 . . 4.950 3.655 3.343 3.744 . 0 0 "[ . 1 . ]" 1
621 2 20 LEU H 2 20 LEU MD2 . . 3.740 2.970 2.936 3.042 . 0 0 "[ . 1 . ]" 1
622 2 20 LEU H 2 20 LEU HG . . 5.100 4.530 4.490 4.543 . 0 0 "[ . 1 . ]" 1
623 2 20 LEU H 2 21 VAL H . . 3.270 2.784 2.734 2.817 . 0 0 "[ . 1 . ]" 1
624 2 20 LEU HA 2 20 LEU MD1 . . 3.990 1.799 1.763 1.825 . 0 0 "[ . 1 . ]" 1
625 2 20 LEU HA 2 23 LEU H . . 4.070 3.166 2.860 3.258 . 0 0 "[ . 1 . ]" 1
626 2 20 LEU QB 2 21 VAL H . . 5.020 2.732 2.630 2.770 . 0 0 "[ . 1 . ]" 1
627 2 20 LEU MD1 2 21 VAL H . . 5.750 4.403 4.348 4.504 . 0 0 "[ . 1 . ]" 1
628 2 20 LEU MD1 2 23 LEU H . . 6.400 4.032 3.886 4.097 . 0 0 "[ . 1 . ]" 1
629 2 20 LEU MD1 2 24 LEU H . . 6.530 3.648 3.494 3.779 . 0 0 "[ . 1 . ]" 1
630 2 20 LEU MD1 2 24 LEU MD1 . . 5.940 2.644 1.779 3.028 . 0 0 "[ . 1 . ]" 1
631 2 20 LEU MD1 2 78 ILE H . . 6.470 3.729 3.596 3.818 . 0 0 "[ . 1 . ]" 1
632 2 20 LEU MD1 2 79 SER H . . 6.530 5.347 5.291 5.376 . 0 0 "[ . 1 . ]" 1
633 2 20 LEU MD1 2 80 HIS HD2 . . 6.530 4.790 4.657 4.924 . 0 0 "[ . 1 . ]" 1
634 2 20 LEU MD1 2 81 TRP H . . 5.540 4.324 4.188 4.412 . 0 0 "[ . 1 . ]" 1
635 2 20 LEU MD1 2 81 TRP HB2 . . 4.640 2.834 2.687 2.935 . 0 0 "[ . 1 . ]" 1
636 2 20 LEU MD1 2 81 TRP HB3 . . 4.640 3.505 3.258 3.629 . 0 0 "[ . 1 . ]" 1
637 2 20 LEU MD2 2 24 LEU MD1 . . 6.560 3.784 3.315 4.101 . 0 0 "[ . 1 . ]" 1
638 2 20 LEU MD2 2 24 LEU MD2 . . 6.810 4.664 4.620 4.693 . 0 0 "[ . 1 . ]" 1
639 2 20 LEU MD2 2 80 HIS HD2 . . 5.380 3.321 3.146 3.440 . 0 0 "[ . 1 . ]" 1
640 2 20 LEU MD2 2 81 TRP H . . 4.570 3.586 3.550 3.639 . 0 0 "[ . 1 . ]" 1
641 2 20 LEU MD2 2 81 TRP HA . . 5.440 4.419 4.359 4.474 . 0 0 "[ . 1 . ]" 1
642 2 20 LEU MD2 2 81 TRP QB . . 6.200 2.888 2.651 3.058 . 0 0 "[ . 1 . ]" 1
643 2 20 LEU O 2 24 LEU H . . 2.300 1.589 1.462 1.661 . 0 0 "[ . 1 . ]" 1
644 2 20 LEU O 2 24 LEU N . . 3.300 2.338 2.274 2.382 . 0 0 "[ . 1 . ]" 1
645 2 21 VAL H 2 21 VAL MG2 . . 3.430 2.497 2.039 2.726 . 0 0 "[ . 1 . ]" 1
646 2 21 VAL H 2 22 LEU H . . 3.300 2.590 2.530 2.643 . 0 0 "[ . 1 . ]" 1
647 2 21 VAL HA 2 21 VAL MG2 . . 3.550 2.198 2.038 2.409 . 0 0 "[ . 1 . ]" 1
648 2 21 VAL HA 2 23 LEU H . . 4.880 4.120 4.037 4.199 . 0 0 "[ . 1 . ]" 1
649 2 21 VAL HA 2 24 LEU H . . 4.070 3.210 3.098 3.608 . 0 0 "[ . 1 . ]" 1
650 2 21 VAL HA 2 24 LEU QB . . 4.580 2.104 1.911 2.622 . 0 0 "[ . 1 . ]" 1
651 2 21 VAL HA 2 24 LEU MD1 . . 4.480 1.995 1.765 3.175 . 0 0 "[ . 1 . ]" 1
652 2 21 VAL HB 2 22 LEU H . . 3.170 2.876 2.741 3.020 . 0 0 "[ . 1 . ]" 1
653 2 21 VAL MG1 2 24 LEU MD1 . . 7.090 3.890 3.637 4.725 . 0 0 "[ . 1 . ]" 1
654 2 21 VAL MG2 2 22 LEU H . . 4.950 4.051 3.787 4.131 . 0 0 "[ . 1 . ]" 1
655 2 21 VAL MG2 2 24 LEU MD1 . . 5.940 2.639 2.350 3.772 . 0 0 "[ . 1 . ]" 1
656 2 21 VAL MG2 2 24 LEU MD2 . . 6.810 4.610 4.177 4.702 . 0 0 "[ . 1 . ]" 1
657 2 21 VAL O 2 25 HIS H . . 2.300 1.911 1.682 2.325 0.025 5 0 "[ . 1 . ]" 1
658 2 21 VAL O 2 25 HIS N . . 3.300 2.855 2.653 3.240 . 0 0 "[ . 1 . ]" 1
659 2 22 LEU H 2 22 LEU HB2 . . 3.520 2.185 2.157 2.213 . 0 0 "[ . 1 . ]" 1
660 2 22 LEU H 2 22 LEU QB . . 3.230 2.137 2.115 2.163 . 0 0 "[ . 1 . ]" 1
661 2 22 LEU H 2 22 LEU HB3 . . 3.520 3.024 2.968 3.134 . 0 0 "[ . 1 . ]" 1
662 2 22 LEU H 2 22 LEU HG . . 4.420 4.442 4.393 4.464 0.044 3 0 "[ . 1 . ]" 1
663 2 22 LEU H 2 23 LEU H . . 3.480 2.352 2.211 2.485 . 0 0 "[ . 1 . ]" 1
664 2 22 LEU H 2 25 HIS H . . 4.540 4.581 4.525 4.622 0.082 17 0 "[ . 1 . ]" 1
665 2 22 LEU HA 2 24 LEU H . . 4.040 4.127 4.083 4.207 0.167 13 0 "[ . 1 . ]" 1
666 2 22 LEU HA 2 25 HIS H . . 3.670 3.589 3.499 3.649 . 0 0 "[ . 1 . ]" 1
667 2 22 LEU QB 2 23 LEU H . . 3.310 2.896 2.735 3.047 . 0 0 "[ . 1 . ]" 1
668 2 22 LEU HB2 2 23 LEU H . . 3.480 3.554 3.523 3.579 0.099 5 0 "[ . 1 . ]" 1
669 2 22 LEU HB3 2 23 LEU H . . 3.480 3.072 2.850 3.317 . 0 0 "[ . 1 . ]" 1
670 2 22 LEU MD1 2 25 HIS HD2 . . 4.980 3.959 3.600 4.019 . 0 0 "[ . 1 . ]" 1
671 2 22 LEU MD1 2 46 HIS QB . . 7.400 2.440 1.933 3.074 . 0 0 "[ . 1 . ]" 1
672 2 22 LEU MD1 2 46 HIS HD2 . . 5.010 3.285 2.755 3.891 . 0 0 "[ . 1 . ]" 1
673 2 22 LEU MD2 2 25 HIS HD2 . . 4.920 3.818 3.790 3.840 . 0 0 "[ . 1 . ]" 1
674 2 22 LEU MD2 2 46 HIS QB . . 7.400 2.336 1.894 3.205 . 0 0 "[ . 1 . ]" 1
675 2 22 LEU MD2 2 46 HIS HD2 . . 5.380 2.933 2.316 3.803 . 0 0 "[ . 1 . ]" 1
676 2 22 LEU HG 2 23 LEU H . . 5.500 5.400 5.246 5.522 0.022 15 0 "[ . 1 . ]" 1
677 2 22 LEU O 2 26 ALA H . . 2.300 2.167 2.045 2.269 . 0 0 "[ . 1 . ]" 1
678 2 22 LEU O 2 26 ALA N . . 3.300 3.014 2.898 3.162 . 0 0 "[ . 1 . ]" 1
679 2 23 LEU H 2 23 LEU HB2 . . 3.390 2.161 2.120 2.178 . 0 0 "[ . 1 . ]" 1
680 2 23 LEU H 2 23 LEU QB . . 3.150 2.133 2.096 2.152 . 0 0 "[ . 1 . ]" 1
681 2 23 LEU H 2 23 LEU HB3 . . 3.390 3.299 3.143 3.436 0.046 13 0 "[ . 1 . ]" 1
682 2 23 LEU H 2 23 LEU HG . . 4.100 3.705 3.295 4.043 . 0 0 "[ . 1 . ]" 1
683 2 23 LEU H 2 24 LEU H . . 3.300 2.188 2.146 2.277 . 0 0 "[ . 1 . ]" 1
684 2 23 LEU H 2 24 LEU MD1 . . 6.530 4.256 3.474 4.622 . 0 0 "[ . 1 . ]" 1
685 2 23 LEU H 2 24 LEU MD2 . . 6.530 5.559 5.502 5.587 . 0 0 "[ . 1 . ]" 1
686 2 23 LEU H 2 25 HIS H . . 5.440 3.983 3.831 4.109 . 0 0 "[ . 1 . ]" 1
687 2 23 LEU HA 2 26 ALA H . . 4.040 3.687 3.263 3.792 . 0 0 "[ . 1 . ]" 1
688 2 23 LEU HA 2 26 ALA MB . . 3.710 2.318 2.177 2.445 . 0 0 "[ . 1 . ]" 1
689 2 23 LEU QB 2 24 LEU H . . 4.030 2.925 2.804 2.975 . 0 0 "[ . 1 . ]" 1
690 2 23 LEU HB2 2 24 LEU H . . 4.320 3.248 2.972 3.422 . 0 0 "[ . 1 . ]" 1
691 2 23 LEU HB3 2 24 LEU H . . 4.320 3.348 3.117 3.491 . 0 0 "[ . 1 . ]" 1
692 2 23 LEU MD1 2 74 SER H . . 4.820 3.951 3.873 3.988 . 0 0 "[ . 1 . ]" 1
693 2 23 LEU MD1 2 74 SER HB2 . . 4.670 3.242 2.132 3.573 . 0 0 "[ . 1 . ]" 1
694 2 23 LEU MD1 2 74 SER HB3 . . 4.670 3.164 1.930 3.558 . 0 0 "[ . 1 . ]" 1
695 2 23 LEU MD2 2 74 SER HB2 . . 4.820 3.475 2.334 3.882 . 0 0 "[ . 1 . ]" 1
696 2 23 LEU MD2 2 74 SER HB3 . . 4.820 3.244 2.469 3.864 . 0 0 "[ . 1 . ]" 1
697 2 23 LEU O 2 27 HIS H . . 2.300 2.336 2.306 2.360 0.060 13 0 "[ . 1 . ]" 1
698 2 23 LEU O 2 27 HIS N . . 3.300 3.022 2.979 3.126 . 0 0 "[ . 1 . ]" 1
699 2 24 LEU H 2 24 LEU HB2 . . 3.580 2.277 2.142 2.336 . 0 0 "[ . 1 . ]" 1
700 2 24 LEU H 2 24 LEU HB3 . . 3.580 3.535 3.450 3.563 . 0 0 "[ . 1 . ]" 1
701 2 24 LEU H 2 24 LEU MD1 . . 5.040 3.137 2.267 3.491 . 0 0 "[ . 1 . ]" 1
702 2 24 LEU H 2 24 LEU MD2 . . 5.230 3.990 3.884 4.117 . 0 0 "[ . 1 . ]" 1
703 2 24 LEU H 2 24 LEU HG . . 3.760 2.857 2.621 3.827 0.067 15 0 "[ . 1 . ]" 1
704 2 24 LEU H 2 25 HIS H . . 3.450 2.503 2.452 2.554 . 0 0 "[ . 1 . ]" 1
705 2 24 LEU HA 2 24 LEU MD1 . . 4.300 3.700 2.790 3.842 . 0 0 "[ . 1 . ]" 1
706 2 24 LEU HA 2 24 LEU MD2 . . 4.140 2.485 2.095 3.638 . 0 0 "[ . 1 . ]" 1
707 2 24 LEU HA 2 27 HIS H . . 3.670 3.600 3.518 3.669 . 0 0 "[ . 1 . ]" 1
708 2 24 LEU QB 2 25 HIS H . . 3.350 2.372 2.313 2.488 . 0 0 "[ . 1 . ]" 1
709 2 24 LEU HB2 2 25 HIS H . . 3.670 2.440 2.369 2.563 . 0 0 "[ . 1 . ]" 1
710 2 24 LEU HB3 2 25 HIS H . . 3.670 3.250 3.028 3.370 . 0 0 "[ . 1 . ]" 1
711 2 24 LEU MD1 2 25 HIS H . . 5.850 4.130 4.053 4.292 . 0 0 "[ . 1 . ]" 1
712 2 24 LEU MD1 2 77 ILE MG . . 7.520 4.839 3.988 5.107 . 0 0 "[ . 1 . ]" 1
713 2 24 LEU MD1 2 78 ILE MD . . 6.750 4.495 3.633 4.657 . 0 0 "[ . 1 . ]" 1
714 2 24 LEU MD1 2 81 TRP HE1 . . 4.760 3.763 3.587 3.874 . 0 0 "[ . 1 . ]" 1
715 2 24 LEU MD1 2 81 TRP HH2 . . 6.530 3.091 2.541 4.286 . 0 0 "[ . 1 . ]" 1
716 2 24 LEU MD1 2 81 TRP HZ2 . . 5.160 2.930 2.599 3.826 . 0 0 "[ . 1 . ]" 1
717 2 24 LEU MD1 2 81 TRP HZ3 . . 6.530 3.988 3.483 4.333 . 0 0 "[ . 1 . ]" 1
718 2 24 LEU MD1 2 95 LEU MD1 . . 6.590 2.911 1.797 4.076 . 0 0 "[ . 1 . ]" 1
719 2 24 LEU MD1 2 95 LEU MD2 . . 6.320 2.627 1.733 4.346 . 0 0 "[ . 1 . ]" 1
720 2 24 LEU MD2 2 25 HIS H . . 5.570 4.647 4.442 4.701 . 0 0 "[ . 1 . ]" 1
721 2 24 LEU MD2 2 81 TRP HH2 . . 6.530 2.926 2.324 3.179 . 0 0 "[ . 1 . ]" 1
722 2 24 LEU MD2 2 81 TRP HZ2 . . 5.380 3.720 2.633 4.042 . 0 0 "[ . 1 . ]" 1
723 2 24 LEU MD2 2 81 TRP HZ3 . . 6.530 2.636 2.442 3.064 . 0 0 "[ . 1 . ]" 1
724 2 24 LEU HG 2 25 HIS H . . 4.720 4.522 4.420 4.844 0.124 15 0 "[ . 1 . ]" 1
725 2 24 LEU O 2 28 LYS H . . 2.300 2.331 2.303 2.370 0.070 17 0 "[ . 1 . ]" 1
726 2 24 LEU O 2 28 LYS N . . 3.300 3.278 3.232 3.313 0.013 17 0 "[ . 1 . ]" 1
727 2 25 HIS H 2 25 HIS HB2 . . 3.110 2.799 2.695 2.854 . 0 0 "[ . 1 . ]" 1
728 2 25 HIS H 2 25 HIS QB . . 2.920 2.187 2.162 2.222 . 0 0 "[ . 1 . ]" 1
729 2 25 HIS H 2 25 HIS HB3 . . 3.110 2.285 2.239 2.356 . 0 0 "[ . 1 . ]" 1
730 2 25 HIS H 2 25 HIS HD2 . . 5.500 4.673 4.575 4.807 . 0 0 "[ . 1 . ]" 1
731 2 25 HIS H 2 26 ALA H . . 3.450 2.693 2.556 2.763 . 0 0 "[ . 1 . ]" 1
732 2 25 HIS H 2 27 HIS H . . 3.760 3.811 3.780 3.945 0.185 13 0 "[ . 1 . ]" 1
733 2 25 HIS HA 2 25 HIS HB2 . . 2.930 2.353 2.329 2.385 . 0 0 "[ . 1 . ]" 1
734 2 25 HIS HA 2 25 HIS QB . . 2.710 2.273 2.253 2.299 . 0 0 "[ . 1 . ]" 1
735 2 25 HIS HA 2 25 HIS HB3 . . 2.930 3.003 2.996 3.012 0.082 13 0 "[ . 1 . ]" 1
736 2 25 HIS HA 2 25 HIS HD2 . . 4.540 4.287 4.246 4.427 . 0 0 "[ . 1 . ]" 1
737 2 25 HIS HA 2 28 LYS H . . 4.630 3.743 3.347 3.891 . 0 0 "[ . 1 . ]" 1
738 2 25 HIS QB 2 26 ALA H . . 3.520 2.369 2.313 2.431 . 0 0 "[ . 1 . ]" 1
739 2 25 HIS HB2 2 26 ALA H . . 3.760 3.806 3.770 3.836 0.076 13 0 "[ . 1 . ]" 1
740 2 25 HIS HB3 2 26 ALA H . . 3.760 2.392 2.335 2.458 . 0 0 "[ . 1 . ]" 1
741 2 25 HIS HD2 2 26 ALA H . . 4.790 2.745 2.473 3.322 . 0 0 "[ . 1 . ]" 1
742 2 25 HIS HD2 2 26 ALA HA . . 3.420 2.509 2.290 2.997 . 0 0 "[ . 1 . ]" 1
743 2 25 HIS HD2 2 26 ALA MB . . 4.510 3.098 2.849 3.646 . 0 0 "[ . 1 . ]" 1
744 2 25 HIS HD2 2 27 HIS H . . 5.470 4.891 4.635 5.465 . 0 0 "[ . 1 . ]" 1
745 2 25 HIS HD2 2 29 CYS HA . . 5.500 5.571 5.538 5.591 0.091 8 0 "[ . 1 . ]" 1
746 2 25 HIS HD2 2 29 CYS HB2 . . 5.500 3.127 3.006 3.213 . 0 0 "[ . 1 . ]" 1
747 2 25 HIS HD2 2 29 CYS QB . . 5.200 2.843 2.780 2.901 . 0 0 "[ . 1 . ]" 1
748 2 25 HIS HD2 2 29 CYS HB3 . . 5.500 3.284 3.043 3.518 . 0 0 "[ . 1 . ]" 1
749 2 25 HIS HD2 2 44 LEU MD1 . . 6.160 3.744 2.660 4.966 . 0 0 "[ . 1 . ]" 1
750 2 25 HIS HD2 2 44 LEU MD2 . . 6.090 3.925 3.029 5.053 . 0 0 "[ . 1 . ]" 1
751 2 25 HIS HD2 2 47 CYS HA . . 3.670 3.684 3.631 3.705 0.035 5 0 "[ . 1 . ]" 1
752 2 25 HIS HD2 2 47 CYS HB2 . . 4.600 2.949 2.245 4.648 0.048 13 0 "[ . 1 . ]" 1
753 2 25 HIS HD2 2 47 CYS QB . . 4.270 2.775 1.900 3.441 . 0 0 "[ . 1 . ]" 1
754 2 25 HIS HD2 2 47 CYS HB3 . . 4.600 3.888 1.974 4.603 0.003 6 0 "[ . 1 . ]" 1
755 2 25 HIS HE1 2 29 CYS HA . . 5.500 5.475 5.143 5.527 0.027 4 0 "[ . 1 . ]" 1
756 2 25 HIS HE1 2 29 CYS HB2 . . 5.500 3.987 3.847 4.158 . 0 0 "[ . 1 . ]" 1
757 2 25 HIS HE1 2 29 CYS QB . . 4.870 3.887 3.778 4.041 . 0 0 "[ . 1 . ]" 1
758 2 25 HIS HE1 2 29 CYS HB3 . . 5.500 5.393 5.143 5.527 0.027 6 0 "[ . 1 . ]" 1
759 2 25 HIS HE1 2 44 LEU MD1 . . 5.630 4.189 2.655 4.770 . 0 0 "[ . 1 . ]" 1
760 2 25 HIS HE1 2 44 LEU MD2 . . 5.850 3.764 2.820 4.817 . 0 0 "[ . 1 . ]" 1
761 2 25 HIS NE2 2 29 CYS SG . . 3.860 3.322 3.076 3.765 . 0 0 "[ . 1 . ]" 1
762 2 25 HIS NE2 2 42 CYS SG . . 3.860 3.735 2.397 3.907 0.047 6 0 "[ . 1 . ]" 1
763 2 25 HIS NE2 2 47 CYS SG . . 3.860 3.767 2.928 3.899 0.039 16 0 "[ . 1 . ]" 1
764 2 25 HIS O 2 29 CYS H . . 2.300 1.752 1.696 1.804 . 0 0 "[ . 1 . ]" 1
765 2 25 HIS O 2 29 CYS N . . 3.300 2.535 2.470 2.567 . 0 0 "[ . 1 . ]" 1
766 2 26 ALA H 2 26 ALA MB . . 3.460 2.238 2.202 2.246 . 0 0 "[ . 1 . ]" 1
767 2 26 ALA H 2 27 HIS H . . 3.610 2.761 2.726 2.806 . 0 0 "[ . 1 . ]" 1
768 2 26 ALA H 2 28 LYS H . . 5.500 4.981 4.480 5.093 . 0 0 "[ . 1 . ]" 1
769 2 26 ALA HA 2 29 CYS H . . 5.500 3.478 3.283 3.589 . 0 0 "[ . 1 . ]" 1
770 2 26 ALA MB 2 27 HIS H . . 4.170 2.757 2.711 2.818 . 0 0 "[ . 1 . ]" 1
771 2 26 ALA MB 2 51 LYS H . . 4.140 3.224 2.710 3.364 . 0 0 "[ . 1 . ]" 1
772 2 27 HIS H 2 27 HIS HB2 . . 3.050 2.425 2.247 2.630 . 0 0 "[ . 1 . ]" 1
773 2 27 HIS H 2 27 HIS QB . . 2.840 2.248 2.177 2.281 . 0 0 "[ . 1 . ]" 1
774 2 27 HIS H 2 27 HIS HB3 . . 3.050 2.739 2.483 3.492 0.442 13 0 "[ . 1 . ]" 1
775 2 27 HIS H 2 28 LYS H . . 3.420 2.958 2.553 3.036 . 0 0 "[ . 1 . ]" 1
776 2 27 HIS HA 2 27 HIS HD2 . . 4.140 3.037 2.581 4.520 0.380 15 0 "[ . 1 . ]" 1
777 2 27 HIS HA 2 30 GLN H . . 3.360 3.488 3.448 3.564 0.204 17 0 "[ . 1 . ]" 1
778 2 27 HIS QB 2 54 LEU MD1 . . 7.400 2.816 2.174 4.194 . 0 0 "[ . 1 . ]" 1
779 2 27 HIS QB 2 54 LEU MD2 . . 7.400 3.658 2.560 4.190 . 0 0 "[ . 1 . ]" 1
780 2 27 HIS HB2 2 28 LYS H . . 3.550 3.356 2.170 3.558 0.008 11 0 "[ . 1 . ]" 1
781 2 27 HIS HB3 2 28 LYS H . . 3.550 2.018 1.798 3.022 . 0 0 "[ . 1 . ]" 1
782 2 27 HIS HD2 2 28 LYS QD . . 6.380 5.706 5.562 5.754 . 0 0 "[ . 1 . ]" 1
783 2 27 HIS HD2 2 28 LYS HG2 . . 5.500 4.850 4.206 5.510 0.010 17 0 "[ . 1 . ]" 1
784 2 27 HIS HD2 2 28 LYS QG . . 4.770 4.161 4.080 4.509 . 0 0 "[ . 1 . ]" 1
785 2 27 HIS HD2 2 28 LYS HG3 . . 5.500 4.921 4.234 5.500 0.000 14 0 "[ . 1 . ]" 1
786 2 27 HIS HD2 2 54 LEU MD1 . . 4.480 3.619 3.551 3.651 . 0 0 "[ . 1 . ]" 1
787 2 27 HIS HD2 2 54 LEU MD2 . . 4.540 3.566 3.396 3.659 . 0 0 "[ . 1 . ]" 1
788 2 28 LYS H 2 29 CYS H . . 3.420 2.571 2.532 2.620 . 0 0 "[ . 1 . ]" 1
789 2 28 LYS H 2 30 GLN H . . 4.420 4.133 4.059 4.205 . 0 0 "[ . 1 . ]" 1
790 2 28 LYS HA 2 31 ARG H . . 4.010 3.227 3.005 3.544 . 0 0 "[ . 1 . ]" 1
791 2 28 LYS QB 2 29 CYS H . . 5.350 3.060 2.932 3.257 . 0 0 "[ . 1 . ]" 1
792 2 29 CYS H 2 29 CYS HB2 . . 3.950 2.581 2.436 2.719 . 0 0 "[ . 1 . ]" 1
793 2 29 CYS H 2 29 CYS QB . . 3.710 2.282 2.248 2.335 . 0 0 "[ . 1 . ]" 1
794 2 29 CYS H 2 29 CYS HB3 . . 3.950 2.562 2.396 2.741 . 0 0 "[ . 1 . ]" 1
795 2 29 CYS H 2 30 GLN H . . 3.550 2.364 2.202 2.463 . 0 0 "[ . 1 . ]" 1
796 2 29 CYS H 2 31 ARG H . . 4.940 3.761 3.609 3.981 . 0 0 "[ . 1 . ]" 1
797 2 29 CYS HA 2 30 GLN H . . 3.450 3.486 3.472 3.499 0.049 11 0 "[ . 1 . ]" 1
798 2 29 CYS HA 2 31 ARG H . . 4.880 4.299 4.057 4.524 . 0 0 "[ . 1 . ]" 1
799 2 29 CYS HA 2 32 ARG H . . 3.920 3.724 3.360 3.937 0.017 8 0 "[ . 1 . ]" 1
800 2 29 CYS QB 2 30 GLN H . . 4.610 2.827 2.782 2.903 . 0 0 "[ . 1 . ]" 1
801 2 29 CYS SG 2 42 CYS SG . . 3.860 2.589 1.665 3.895 0.035 13 0 "[ . 1 . ]" 1
802 2 29 CYS SG 2 47 CYS SG . . 3.860 3.420 2.997 3.884 0.024 1 0 "[ . 1 . ]" 1
803 2 30 GLN H 2 31 ARG H . . 3.450 2.280 2.166 2.475 . 0 0 "[ . 1 . ]" 1
804 2 30 GLN H 2 32 ARG H . . 4.570 3.779 3.681 3.930 . 0 0 "[ . 1 . ]" 1
805 2 30 GLN QB 2 32 ARG H . . 5.350 4.653 4.397 4.837 . 0 0 "[ . 1 . ]" 1
806 2 30 GLN HE21 2 51 LYS HA . . 5.500 3.592 2.097 4.941 . 0 0 "[ . 1 . ]" 1
807 2 30 GLN HE22 2 51 LYS HA . . 5.500 4.301 2.140 5.507 0.007 11 0 "[ . 1 . ]" 1
808 2 30 GLN HG2 2 31 ARG H . . 5.500 4.470 2.435 5.171 . 0 0 "[ . 1 . ]" 1
809 2 30 GLN HG3 2 31 ARG H . . 5.500 4.729 2.197 5.499 . 0 0 "[ . 1 . ]" 1
810 2 31 ARG H 2 31 ARG HB2 . . 3.270 2.382 2.140 2.696 . 0 0 "[ . 1 . ]" 1
811 2 31 ARG H 2 31 ARG HB3 . . 3.270 2.829 2.455 3.142 . 0 0 "[ . 1 . ]" 1
812 2 31 ARG H 2 31 ARG HG2 . . 5.340 4.571 4.257 4.724 . 0 0 "[ . 1 . ]" 1
813 2 31 ARG H 2 31 ARG HG3 . . 5.340 4.348 3.906 4.559 . 0 0 "[ . 1 . ]" 1
814 2 31 ARG H 2 32 ARG H . . 3.020 2.402 2.293 2.572 . 0 0 "[ . 1 . ]" 1
815 2 31 ARG H 2 33 GLU H . . 4.420 4.170 3.986 4.434 0.014 11 0 "[ . 1 . ]" 1
816 2 31 ARG HA 2 32 ARG H . . 3.360 3.389 3.366 3.429 0.069 4 0 "[ . 1 . ]" 1
817 2 31 ARG HA 2 34 GLN H . . 4.290 3.164 2.881 3.505 . 0 0 "[ . 1 . ]" 1
818 2 32 ARG H 2 32 ARG QB . . 3.800 2.243 2.056 2.414 . 0 0 "[ . 1 . ]" 1
819 2 32 ARG H 2 32 ARG QG . . 5.020 3.570 2.427 4.074 . 0 0 "[ . 1 . ]" 1
820 2 32 ARG H 2 33 GLU H . . 2.740 2.503 2.309 2.715 . 0 0 "[ . 1 . ]" 1
821 2 32 ARG HA 2 33 GLU H . . 3.080 3.339 3.328 3.384 0.304 11 0 "[ . 1 . ]" 1
822 2 32 ARG HA 2 35 ALA H . . 3.890 3.811 3.452 3.906 0.016 3 0 "[ . 1 . ]" 1
823 2 32 ARG QB 2 33 GLU H . . 4.270 3.112 2.996 3.138 . 0 0 "[ . 1 . ]" 1
824 2 32 ARG QG 2 33 GLU H . . 4.940 4.321 4.015 4.511 . 0 0 "[ . 1 . ]" 1
825 2 32 ARG HG2 2 33 GLU H . . 5.500 4.894 4.278 5.262 . 0 0 "[ . 1 . ]" 1
826 2 32 ARG HG3 2 33 GLU H . . 5.500 4.909 4.361 5.423 . 0 0 "[ . 1 . ]" 1
827 2 33 GLU H 2 33 GLU HG2 . . 5.500 2.787 2.000 4.404 . 0 0 "[ . 1 . ]" 1
828 2 33 GLU H 2 33 GLU QG . . 4.890 2.311 1.920 4.005 . 0 0 "[ . 1 . ]" 1
829 2 33 GLU H 2 33 GLU HG3 . . 5.500 2.720 1.971 4.667 . 0 0 "[ . 1 . ]" 1
830 2 33 GLU H 2 39 VAL MG1 . . 6.530 5.013 4.666 5.540 . 0 0 "[ . 1 . ]" 1
831 2 33 GLU H 2 39 VAL MG2 . . 6.530 5.054 4.138 5.317 . 0 0 "[ . 1 . ]" 1
832 2 33 GLU HA 2 36 ASN H . . 3.890 3.803 3.199 3.926 0.036 2 0 "[ . 1 . ]" 1
833 2 34 GLN H 2 34 GLN HA . . 2.830 2.869 2.825 2.907 0.077 17 0 "[ . 1 . ]" 1
834 2 34 GLN H 2 34 GLN QB . . 3.830 2.283 2.084 2.537 . 0 0 "[ . 1 . ]" 1
835 2 34 GLN H 2 35 ALA H . . 2.860 2.489 2.233 2.612 . 0 0 "[ . 1 . ]" 1
836 2 34 GLN H 2 35 ALA MB . . 6.340 4.125 3.940 4.285 . 0 0 "[ . 1 . ]" 1
837 2 34 GLN HA 2 37 GLY H . . 4.450 3.412 3.134 3.774 . 0 0 "[ . 1 . ]" 1
838 2 34 GLN QB 2 36 ASN H . . 6.380 4.647 4.390 4.925 . 0 0 "[ . 1 . ]" 1
839 2 35 ALA H 2 35 ALA MB . . 3.430 2.292 2.160 2.449 . 0 0 "[ . 1 . ]" 1
840 2 35 ALA H 2 36 ASN H . . 3.170 2.318 2.056 2.503 . 0 0 "[ . 1 . ]" 1
841 2 35 ALA HA 2 36 ASN H . . 2.990 3.242 3.204 3.353 0.363 17 0 "[ . 1 . ]" 1
842 2 35 ALA HA 2 37 GLY H . . 4.200 4.020 3.828 4.240 0.040 17 0 "[ . 1 . ]" 1
843 2 35 ALA MB 2 36 ASN H . . 3.890 3.227 2.967 3.286 . 0 0 "[ . 1 . ]" 1
844 2 35 ALA MB 2 37 GLY H . . 5.380 4.571 4.402 4.601 . 0 0 "[ . 1 . ]" 1
845 2 36 ASN H 2 36 ASN HA . . 2.900 2.931 2.928 2.936 0.036 2 0 "[ . 1 . ]" 1
846 2 36 ASN H 2 36 ASN HB2 . . 3.390 2.703 2.507 2.910 . 0 0 "[ . 1 . ]" 1
847 2 36 ASN H 2 36 ASN HB3 . . 3.390 3.162 2.921 3.374 . 0 0 "[ . 1 . ]" 1
848 2 36 ASN H 2 37 GLY H . . 2.960 1.872 1.800 1.982 . 0 0 "[ . 1 . ]" 1
849 2 36 ASN HA 2 37 GLY H . . 3.140 3.255 3.220 3.307 0.167 10 0 "[ . 1 . ]" 1
850 2 36 ASN HA 2 38 GLU H . . 4.230 4.164 4.101 4.218 . 0 0 "[ . 1 . ]" 1
851 2 36 ASN QB 2 38 GLU H . . 5.760 2.512 2.417 2.647 . 0 0 "[ . 1 . ]" 1
852 2 36 ASN HB2 2 37 GLY H . . 4.200 3.996 3.875 4.196 . 0 0 "[ . 1 . ]" 1
853 2 36 ASN HB3 2 37 GLY H . . 4.200 3.662 3.405 3.879 . 0 0 "[ . 1 . ]" 1
854 2 37 GLY H 2 38 GLU H . . 3.240 2.979 2.940 3.013 . 0 0 "[ . 1 . ]" 1
855 2 38 GLU HA 2 39 VAL H . . 2.770 2.369 2.180 2.433 . 0 0 "[ . 1 . ]" 1
856 2 38 GLU QG 2 39 VAL H . . 6.380 3.167 1.937 4.538 . 0 0 "[ . 1 . ]" 1
857 2 39 VAL H 2 39 VAL HB . . 2.930 2.738 2.601 2.964 0.034 17 0 "[ . 1 . ]" 1
858 2 39 VAL H 2 39 VAL MG1 . . 4.640 3.541 2.004 3.916 . 0 0 "[ . 1 . ]" 1
859 2 39 VAL H 2 39 VAL QG . . 4.220 2.395 1.997 2.626 . 0 0 "[ . 1 . ]" 1
860 2 39 VAL H 2 39 VAL MG2 . . 4.640 2.733 2.123 3.775 . 0 0 "[ . 1 . ]" 1
861 2 39 VAL H 2 40 ARG H . . 5.500 4.529 4.464 4.612 . 0 0 "[ . 1 . ]" 1
862 2 39 VAL HA 2 40 ARG H . . 2.550 2.317 2.265 2.359 . 0 0 "[ . 1 . ]" 1
863 2 39 VAL HB 2 40 ARG H . . 3.580 3.623 3.583 3.695 0.115 8 0 "[ . 1 . ]" 1
864 2 39 VAL QG 2 40 ARG H . . 4.300 1.946 1.861 2.021 . 0 0 "[ . 1 . ]" 1
865 2 39 VAL MG1 2 40 ARG H . . 4.670 2.276 1.910 3.723 . 0 0 "[ . 1 . ]" 1
866 2 39 VAL MG2 2 40 ARG H . . 4.670 3.557 1.866 3.948 . 0 0 "[ . 1 . ]" 1
867 2 40 ARG H 2 40 ARG HG2 . . 4.970 4.414 2.909 4.964 . 0 0 "[ . 1 . ]" 1
868 2 40 ARG H 2 40 ARG QG . . 4.710 3.707 1.979 4.289 . 0 0 "[ . 1 . ]" 1
869 2 40 ARG H 2 40 ARG HG3 . . 4.970 4.098 1.988 4.734 . 0 0 "[ . 1 . ]" 1
870 2 40 ARG H 2 41 GLN QG . . 6.380 5.528 5.327 5.757 . 0 0 "[ . 1 . ]" 1
871 2 40 ARG HA 2 41 GLN H . . 2.520 2.271 2.188 2.336 . 0 0 "[ . 1 . ]" 1
872 2 40 ARG HG2 2 41 GLN H . . 5.500 3.815 2.011 5.271 . 0 0 "[ . 1 . ]" 1
873 2 40 ARG HG3 2 41 GLN H . . 5.500 3.538 2.174 5.206 . 0 0 "[ . 1 . ]" 1
874 2 41 GLN H 2 41 GLN HB2 . . 3.480 2.775 2.553 3.548 0.068 10 0 "[ . 1 . ]" 1
875 2 41 GLN H 2 41 GLN QB . . 3.140 2.646 2.500 2.714 . 0 0 "[ . 1 . ]" 1
876 2 41 GLN H 2 41 GLN HB3 . . 3.480 3.512 2.781 3.571 0.091 6 0 "[ . 1 . ]" 1
877 2 41 GLN HA 2 42 CYS H . . 3.110 2.164 2.140 2.225 . 0 0 "[ . 1 . ]" 1
878 2 41 GLN HB2 2 42 CYS H . . 4.040 3.969 3.206 4.072 0.032 4 0 "[ . 1 . ]" 1
879 2 41 GLN HB3 2 42 CYS H . . 4.040 3.332 2.964 3.985 . 0 0 "[ . 1 . ]" 1
880 2 41 GLN QG 2 42 CYS H . . 6.380 4.402 4.132 4.494 . 0 0 "[ . 1 . ]" 1
881 2 42 CYS H 2 42 CYS HA . . 2.860 2.911 2.896 2.925 0.065 13 0 "[ . 1 . ]" 1
882 2 42 CYS H 2 42 CYS HB2 . . 3.300 2.336 2.160 2.831 . 0 0 "[ . 1 . ]" 1
883 2 42 CYS H 2 42 CYS QB . . 3.050 2.231 2.133 2.381 . 0 0 "[ . 1 . ]" 1
884 2 42 CYS H 2 42 CYS HB3 . . 3.300 3.098 2.561 3.337 0.037 16 0 "[ . 1 . ]" 1
885 2 42 CYS H 2 43 ASN H . . 4.480 4.489 4.321 4.563 0.083 15 0 "[ . 1 . ]" 1
886 2 42 CYS HA 2 43 ASN H . . 3.170 2.203 2.143 2.327 . 0 0 "[ . 1 . ]" 1
887 2 42 CYS SG 2 47 CYS SG . . 3.860 3.597 2.113 3.875 0.015 16 0 "[ . 1 . ]" 1
888 2 44 LEU MD2 2 47 CYS QB . . 7.400 3.388 2.258 4.138 . 0 0 "[ . 1 . ]" 1
889 2 47 CYS O 2 51 LYS H . . 2.300 2.005 1.643 2.301 0.001 6 0 "[ . 1 . ]" 1
890 2 47 CYS O 2 51 LYS N . . 3.300 2.887 2.581 3.180 . 0 0 "[ . 1 . ]" 1
891 2 48 ARG H 2 49 THR H . . 3.790 2.769 2.638 2.956 . 0 0 "[ . 1 . ]" 1
892 2 48 ARG HA 2 49 THR H . . 3.640 3.538 3.479 3.570 . 0 0 "[ . 1 . ]" 1
893 2 48 ARG QB 2 49 THR H . . 4.490 2.630 2.401 2.863 . 0 0 "[ . 1 . ]" 1
894 2 48 ARG QD 2 49 THR H . . 6.380 4.524 2.801 5.449 . 0 0 "[ . 1 . ]" 1
895 2 48 ARG HG2 2 49 THR H . . 5.500 4.723 3.847 5.140 . 0 0 "[ . 1 . ]" 1
896 2 48 ARG HG3 2 49 THR H . . 5.500 4.932 4.531 5.276 . 0 0 "[ . 1 . ]" 1
897 2 48 ARG O 2 52 ASN H . . 2.300 2.201 2.038 2.310 0.010 2 0 "[ . 1 . ]" 1
898 2 48 ARG O 2 52 ASN N . . 3.300 3.080 2.899 3.234 . 0 0 "[ . 1 . ]" 1
899 2 49 THR H 2 49 THR HB . . 3.020 2.753 2.564 3.004 . 0 0 "[ . 1 . ]" 1
900 2 49 THR H 2 49 THR MG . . 4.420 3.706 3.594 3.754 . 0 0 "[ . 1 . ]" 1
901 2 49 THR H 2 50 MET H . . 3.860 2.973 2.856 3.072 . 0 0 "[ . 1 . ]" 1
902 2 49 THR H 2 51 LYS H . . 4.970 3.935 3.684 4.261 . 0 0 "[ . 1 . ]" 1
903 2 49 THR HA 2 49 THR MG . . 3.580 2.273 2.089 2.419 . 0 0 "[ . 1 . ]" 1
904 2 49 THR HA 2 52 ASN QB . . 4.240 3.337 3.043 3.520 . 0 0 "[ . 1 . ]" 1
905 2 49 THR HB 2 51 LYS H . . 5.040 4.549 4.407 4.876 . 0 0 "[ . 1 . ]" 1
906 2 49 THR MG 2 52 ASN HB2 . . 6.530 4.971 4.613 5.295 . 0 0 "[ . 1 . ]" 1
907 2 49 THR MG 2 52 ASN HB3 . . 6.530 4.366 3.763 4.812 . 0 0 "[ . 1 . ]" 1
908 2 49 THR O 2 53 VAL H . . 2.300 2.331 2.311 2.351 0.051 12 0 "[ . 1 . ]" 1
909 2 49 THR O 2 53 VAL N . . 3.300 3.096 3.042 3.146 . 0 0 "[ . 1 . ]" 1
910 2 50 MET H 2 51 LYS H . . 3.450 2.727 2.658 2.808 . 0 0 "[ . 1 . ]" 1
911 2 50 MET HA 2 50 MET ME . . 4.880 2.784 2.062 3.638 . 0 0 "[ . 1 . ]" 1
912 2 50 MET HA 2 53 VAL H . . 3.300 3.115 3.016 3.304 0.004 17 0 "[ . 1 . ]" 1
913 2 50 MET HA 2 53 VAL MG1 . . 4.980 3.748 3.587 4.033 . 0 0 "[ . 1 . ]" 1
914 2 50 MET HA 2 53 VAL MG2 . . 3.920 2.094 1.952 2.316 . 0 0 "[ . 1 . ]" 1
915 2 50 MET HA 2 54 LEU H . . 3.640 3.612 3.432 3.667 0.027 16 0 "[ . 1 . ]" 1
916 2 50 MET ME 2 70 HIS HB2 . . 6.530 3.647 3.145 4.525 . 0 0 "[ . 1 . ]" 1
917 2 50 MET ME 2 70 HIS QB . . 5.810 3.289 2.843 4.144 . 0 0 "[ . 1 . ]" 1
918 2 50 MET ME 2 70 HIS HB3 . . 6.530 3.752 3.217 4.807 . 0 0 "[ . 1 . ]" 1
919 2 50 MET ME 2 70 HIS HD2 . . 5.570 3.525 2.928 4.311 . 0 0 "[ . 1 . ]" 1
920 2 50 MET QG 2 51 LYS H . . 6.380 4.448 3.906 4.669 . 0 0 "[ . 1 . ]" 1
921 2 50 MET O 2 54 LEU H . . 2.300 1.658 1.600 1.830 . 0 0 "[ . 1 . ]" 1
922 2 50 MET O 2 54 LEU N . . 3.300 2.619 2.530 2.780 . 0 0 "[ . 1 . ]" 1
923 2 51 LYS H 2 51 LYS QD . . 5.700 4.220 2.950 4.852 . 0 0 "[ . 1 . ]" 1
924 2 51 LYS H 2 51 LYS HE2 . . 5.500 5.263 4.747 5.514 0.014 16 0 "[ . 1 . ]" 1
925 2 51 LYS H 2 51 LYS HE3 . . 5.500 5.242 4.898 5.517 0.017 7 0 "[ . 1 . ]" 1
926 2 51 LYS H 2 51 LYS QG . . 4.980 3.381 2.617 3.843 . 0 0 "[ . 1 . ]" 1
927 2 51 LYS H 2 52 ASN H . . 3.210 2.757 2.667 2.872 . 0 0 "[ . 1 . ]" 1
928 2 51 LYS H 2 53 VAL H . . 4.820 3.831 3.693 4.074 . 0 0 "[ . 1 . ]" 1
929 2 51 LYS HA 2 54 LEU H . . 4.040 3.747 3.570 3.946 . 0 0 "[ . 1 . ]" 1
930 2 51 LYS QB 2 52 ASN H . . 3.120 2.516 2.287 2.782 . 0 0 "[ . 1 . ]" 1
931 2 51 LYS HB2 2 52 ASN H . . 3.420 3.205 2.736 3.464 0.044 6 0 "[ . 1 . ]" 1
932 2 51 LYS HB3 2 52 ASN H . . 3.420 2.820 2.320 3.437 0.017 13 0 "[ . 1 . ]" 1
933 2 51 LYS HD2 2 52 ASN H . . 5.500 4.704 3.945 5.525 0.025 6 0 "[ . 1 . ]" 1
934 2 51 LYS HD3 2 52 ASN H . . 5.500 5.379 4.630 5.528 0.028 3 0 "[ . 1 . ]" 1
935 2 51 LYS O 2 55 ASN H . . 2.300 2.310 2.283 2.337 0.037 9 0 "[ . 1 . ]" 1
936 2 51 LYS O 2 55 ASN N . . 3.300 3.130 3.059 3.192 . 0 0 "[ . 1 . ]" 1
937 2 52 ASN H 2 52 ASN HB2 . . 2.930 2.304 2.152 2.644 . 0 0 "[ . 1 . ]" 1
938 2 52 ASN H 2 52 ASN HB3 . . 2.930 2.827 2.401 2.979 0.049 14 0 "[ . 1 . ]" 1
939 2 52 ASN H 2 52 ASN HD21 . . 5.500 4.099 3.829 4.492 . 0 0 "[ . 1 . ]" 1
940 2 52 ASN H 2 52 ASN HD22 . . 5.500 5.474 5.300 5.591 0.091 2 0 "[ . 1 . ]" 1
941 2 52 ASN H 2 53 VAL MG2 . . 4.700 3.727 3.655 3.792 . 0 0 "[ . 1 . ]" 1
942 2 52 ASN H 2 54 LEU H . . 5.190 4.478 4.262 4.737 . 0 0 "[ . 1 . ]" 1
943 2 52 ASN QB 2 53 VAL H . . 3.710 2.981 2.752 3.102 . 0 0 "[ . 1 . ]" 1
944 2 52 ASN HB2 2 53 VAL H . . 3.920 3.857 3.666 3.994 0.074 2 0 "[ . 1 . ]" 1
945 2 52 ASN HB3 2 53 VAL H . . 3.920 3.106 2.805 3.270 . 0 0 "[ . 1 . ]" 1
946 2 52 ASN O 2 56 HIS H . . 2.300 2.248 2.036 2.307 0.007 10 0 "[ . 1 . ]" 1
947 2 52 ASN O 2 56 HIS N . . 3.300 3.006 2.819 3.090 . 0 0 "[ . 1 . ]" 1
948 2 53 VAL H 2 53 VAL HB . . 3.080 2.578 2.553 2.617 . 0 0 "[ . 1 . ]" 1
949 2 53 VAL H 2 53 VAL MG1 . . 4.540 3.787 3.779 3.799 . 0 0 "[ . 1 . ]" 1
950 2 53 VAL H 2 53 VAL MG2 . . 3.430 2.239 2.089 2.372 . 0 0 "[ . 1 . ]" 1
951 2 53 VAL H 2 54 LEU H . . 3.240 2.590 2.522 2.750 . 0 0 "[ . 1 . ]" 1
952 2 53 VAL H 2 55 ASN H . . 3.520 3.584 3.535 3.616 0.096 2 0 "[ . 1 . ]" 1
953 2 53 VAL HA 2 56 HIS H . . 3.580 3.138 3.075 3.251 . 0 0 "[ . 1 . ]" 1
954 2 53 VAL HA 2 56 HIS HD2 . . 5.250 3.293 3.183 3.385 . 0 0 "[ . 1 . ]" 1
955 2 53 VAL HB 2 54 LEU H . . 3.170 2.259 2.076 2.303 . 0 0 "[ . 1 . ]" 1
956 2 53 VAL HB 2 56 HIS H . . 5.100 5.139 5.118 5.196 0.096 17 0 "[ . 1 . ]" 1
957 2 53 VAL HB 2 56 HIS HD2 . . 5.500 5.477 5.400 5.529 0.029 9 0 "[ . 1 . ]" 1
958 2 53 VAL MG1 2 54 LEU H . . 4.080 3.326 3.215 3.383 . 0 0 "[ . 1 . ]" 1
959 2 53 VAL MG1 2 56 HIS HD2 . . 5.850 2.821 2.655 3.088 . 0 0 "[ . 1 . ]" 1
960 2 53 VAL MG1 2 57 MET QG . . 7.400 3.650 3.045 4.482 . 0 0 "[ . 1 . ]" 1
961 2 53 VAL MG1 2 70 HIS HB2 . . 5.320 2.577 2.253 2.796 . 0 0 "[ . 1 . ]" 1
962 2 53 VAL MG1 2 70 HIS QB . . 5.000 2.474 2.144 2.674 . 0 0 "[ . 1 . ]" 1
963 2 53 VAL MG1 2 70 HIS HB3 . . 5.320 3.200 2.690 3.454 . 0 0 "[ . 1 . ]" 1
964 2 53 VAL MG1 2 70 HIS HD2 . . 5.810 4.644 4.356 4.743 . 0 0 "[ . 1 . ]" 1
965 2 53 VAL MG1 2 71 CYS HA . . 4.510 2.563 2.196 2.727 . 0 0 "[ . 1 . ]" 1
966 2 53 VAL MG2 2 54 LEU H . . 4.450 3.636 3.555 3.679 . 0 0 "[ . 1 . ]" 1
967 2 53 VAL MG2 2 56 HIS HD2 . . 6.530 4.473 4.339 4.721 . 0 0 "[ . 1 . ]" 1
968 2 53 VAL MG2 2 70 HIS HB2 . . 4.700 2.292 2.033 2.440 . 0 0 "[ . 1 . ]" 1
969 2 53 VAL MG2 2 70 HIS QB . . 4.330 2.268 2.017 2.410 . 0 0 "[ . 1 . ]" 1
970 2 53 VAL MG2 2 70 HIS HB3 . . 4.700 3.616 3.367 3.750 . 0 0 "[ . 1 . ]" 1
971 2 53 VAL MG2 2 70 HIS HD2 . . 4.050 3.263 3.082 3.367 . 0 0 "[ . 1 . ]" 1
972 2 53 VAL MG2 2 71 CYS H . . 5.160 4.097 4.009 4.217 . 0 0 "[ . 1 . ]" 1
973 2 53 VAL O 2 57 MET H . . 2.300 1.646 1.572 1.884 . 0 0 "[ . 1 . ]" 1
974 2 53 VAL O 2 57 MET N . . 3.300 2.576 2.524 2.844 . 0 0 "[ . 1 . ]" 1
975 2 54 LEU H 2 54 LEU HB2 . . 3.170 2.124 2.031 3.506 0.336 17 0 "[ . 1 . ]" 1
976 2 54 LEU H 2 54 LEU QB . . 2.970 2.039 2.014 2.340 . 0 0 "[ . 1 . ]" 1
977 2 54 LEU H 2 54 LEU HB3 . . 3.170 3.295 2.377 3.383 0.213 13 0 "[ . 1 . ]" 1
978 2 54 LEU H 2 54 LEU MD1 . . 4.200 3.418 3.114 3.591 . 0 0 "[ . 1 . ]" 1
979 2 54 LEU H 2 54 LEU HG . . 3.170 3.167 2.310 3.246 0.076 9 0 "[ . 1 . ]" 1
980 2 54 LEU H 2 55 ASN H . . 3.210 2.684 2.641 2.737 . 0 0 "[ . 1 . ]" 1
981 2 54 LEU H 2 55 ASN QB . . 5.790 4.485 4.433 4.542 . 0 0 "[ . 1 . ]" 1
982 2 54 LEU HA 2 57 MET H . . 3.830 3.461 3.286 3.755 . 0 0 "[ . 1 . ]" 1
983 2 54 LEU QB 2 55 ASN H . . 4.360 2.878 2.793 3.603 . 0 0 "[ . 1 . ]" 1
984 2 54 LEU MD2 2 57 MET ME . . 5.320 2.677 2.079 3.672 . 0 0 "[ . 1 . ]" 1
985 2 54 LEU HG 2 55 ASN H . . 5.470 4.821 2.608 4.991 . 0 0 "[ . 1 . ]" 1
986 2 55 ASN H 2 57 MET H . . 4.420 3.800 3.720 3.964 . 0 0 "[ . 1 . ]" 1
987 2 55 ASN HA 2 57 MET H . . 5.500 4.303 4.199 4.494 . 0 0 "[ . 1 . ]" 1
988 2 55 ASN HA 2 58 THR H . . 3.860 3.547 3.337 3.644 . 0 0 "[ . 1 . ]" 1
989 2 55 ASN QB 2 56 HIS H . . 4.180 2.636 2.555 2.746 . 0 0 "[ . 1 . ]" 1
990 2 55 ASN O 2 58 THR H . . 2.300 2.320 2.288 2.366 0.066 17 0 "[ . 1 . ]" 1
991 2 55 ASN O 2 58 THR N . . 3.300 3.113 2.965 3.152 . 0 0 "[ . 1 . ]" 1
992 2 56 HIS H 2 56 HIS HB2 . . 2.900 2.942 2.914 2.961 0.061 13 0 "[ . 1 . ]" 1
993 2 56 HIS H 2 56 HIS HB3 . . 2.900 2.161 2.135 2.187 . 0 0 "[ . 1 . ]" 1
994 2 56 HIS H 2 57 MET H . . 3.050 2.512 2.445 2.728 . 0 0 "[ . 1 . ]" 1
995 2 56 HIS H 2 58 THR H . . 4.380 3.855 3.717 3.963 . 0 0 "[ . 1 . ]" 1
996 2 56 HIS H 2 59 HIS H . . 4.660 4.800 4.733 4.839 0.179 7 0 "[ . 1 . ]" 1
997 2 56 HIS HA 2 56 HIS HB2 . . 3.020 2.306 2.284 2.315 . 0 0 "[ . 1 . ]" 1
998 2 56 HIS HA 2 56 HIS HB3 . . 3.020 2.983 2.964 2.991 . 0 0 "[ . 1 . ]" 1
999 2 56 HIS HA 2 56 HIS HD2 . . 4.880 4.738 4.658 4.779 . 0 0 "[ . 1 . ]" 1
1000 2 56 HIS HA 2 59 HIS H . . 4.260 3.062 2.976 3.314 . 0 0 "[ . 1 . ]" 1
1001 2 56 HIS QB 2 57 MET H . . 4.550 2.812 2.666 2.878 . 0 0 "[ . 1 . ]" 1
1002 2 56 HIS HD2 2 57 MET HA . . 3.980 3.711 3.459 3.860 . 0 0 "[ . 1 . ]" 1
1003 2 56 HIS HD2 2 57 MET QB . . 6.380 4.128 3.270 4.730 . 0 0 "[ . 1 . ]" 1
1004 2 56 HIS HD2 2 57 MET QG . . 6.350 4.065 3.283 4.901 . 0 0 "[ . 1 . ]" 1
1005 2 56 HIS HD2 2 60 CYS QB . . 6.280 3.641 3.530 4.005 . 0 0 "[ . 1 . ]" 1
1006 2 56 HIS HD2 2 68 VAL HB . . 5.340 4.017 3.818 4.174 . 0 0 "[ . 1 . ]" 1
1007 2 56 HIS HD2 2 68 VAL MG1 . . 4.850 3.167 3.062 3.448 . 0 0 "[ . 1 . ]" 1
1008 2 56 HIS HD2 2 68 VAL MG2 . . 6.530 5.049 4.919 5.168 . 0 0 "[ . 1 . ]" 1
1009 2 56 HIS HD2 2 71 CYS H . . 5.500 3.666 3.490 3.890 . 0 0 "[ . 1 . ]" 1
1010 2 56 HIS HD2 2 71 CYS HA . . 4.630 2.812 2.668 2.972 . 0 0 "[ . 1 . ]" 1
1011 2 56 HIS HD2 2 71 CYS HB2 . . 3.950 2.383 2.032 2.471 . 0 0 "[ . 1 . ]" 1
1012 2 56 HIS HD2 2 71 CYS QB . . 3.620 2.364 2.022 2.448 . 0 0 "[ . 1 . ]" 1
1013 2 56 HIS HD2 2 71 CYS HB3 . . 3.950 3.945 3.614 3.996 0.046 2 0 "[ . 1 . ]" 1
1014 2 56 HIS HE1 2 57 MET HA . . 5.500 5.524 5.354 5.562 0.062 6 0 "[ . 1 . ]" 1
1015 2 56 HIS HE1 2 60 CYS HA . . 4.630 3.952 3.599 4.686 0.056 17 0 "[ . 1 . ]" 1
1016 2 56 HIS HE1 2 60 CYS HB2 . . 5.220 3.594 3.379 3.733 . 0 0 "[ . 1 . ]" 1
1017 2 56 HIS HE1 2 60 CYS QB . . 4.990 3.534 3.315 3.652 . 0 0 "[ . 1 . ]" 1
1018 2 56 HIS HE1 2 60 CYS HB3 . . 5.220 5.232 4.797 5.293 0.073 13 0 "[ . 1 . ]" 1
1019 2 56 HIS HE1 2 68 VAL HA . . 5.040 5.128 5.111 5.152 0.112 17 0 "[ . 1 . ]" 1
1020 2 56 HIS HE1 2 68 VAL HB . . 4.970 2.626 2.579 2.857 . 0 0 "[ . 1 . ]" 1
1021 2 56 HIS HE1 2 68 VAL MG1 . . 5.410 2.724 2.545 2.928 . 0 0 "[ . 1 . ]" 1
1022 2 56 HIS HE1 2 68 VAL MG2 . . 3.860 2.200 2.077 2.389 . 0 0 "[ . 1 . ]" 1
1023 2 56 HIS NE2 2 60 CYS SG . . 3.860 3.922 3.883 3.954 0.094 11 0 "[ . 1 . ]" 1
1024 2 56 HIS NE2 2 66 CYS SG . . 3.860 3.614 2.800 3.934 0.074 9 0 "[ . 1 . ]" 1
1025 2 56 HIS NE2 2 71 CYS SG . . 3.860 2.627 2.529 3.080 . 0 0 "[ . 1 . ]" 1
1026 2 56 HIS O 2 59 HIS H . . 2.300 1.952 1.841 2.188 . 0 0 "[ . 1 . ]" 1
1027 2 56 HIS O 2 59 HIS N . . 3.300 2.699 2.586 2.953 . 0 0 "[ . 1 . ]" 1
1028 2 57 MET H 2 57 MET HB2 . . 3.420 2.180 2.065 3.538 0.118 17 0 "[ . 1 . ]" 1
1029 2 57 MET H 2 57 MET QB . . 3.150 2.085 2.045 2.393 . 0 0 "[ . 1 . ]" 1
1030 2 57 MET H 2 57 MET HB3 . . 3.420 3.121 2.434 3.435 0.015 8 0 "[ . 1 . ]" 1
1031 2 57 MET H 2 57 MET ME . . 5.190 4.106 3.764 4.236 . 0 0 "[ . 1 . ]" 1
1032 2 57 MET H 2 57 MET QG . . 4.980 3.520 2.262 3.920 . 0 0 "[ . 1 . ]" 1
1033 2 57 MET H 2 58 THR H . . 3.300 2.602 2.541 2.629 . 0 0 "[ . 1 . ]" 1
1034 2 57 MET H 2 59 HIS H . . 4.070 4.005 3.903 4.080 0.010 11 0 "[ . 1 . ]" 1
1035 2 57 MET HA 2 59 HIS H . . 4.200 3.985 3.937 4.051 . 0 0 "[ . 1 . ]" 1
1036 2 57 MET HA 2 60 CYS H . . 3.450 3.051 2.991 3.217 . 0 0 "[ . 1 . ]" 1
1037 2 57 MET HA 2 60 CYS HB2 . . 3.270 2.288 2.182 2.858 . 0 0 "[ . 1 . ]" 1
1038 2 57 MET HA 2 60 CYS QB . . 3.010 1.819 1.776 2.046 . 0 0 "[ . 1 . ]" 1
1039 2 57 MET HA 2 60 CYS HB3 . . 3.270 1.912 1.869 2.096 . 0 0 "[ . 1 . ]" 1
1040 2 57 MET HB2 2 58 THR H . . 3.670 3.585 3.249 3.812 0.142 17 0 "[ . 1 . ]" 1
1041 2 57 MET HB3 2 58 THR H . . 3.670 3.314 3.114 3.841 0.171 17 0 "[ . 1 . ]" 1
1042 2 57 MET ME 2 74 SER HB2 . . 4.700 3.015 1.878 3.743 . 0 0 "[ . 1 . ]" 1
1043 2 57 MET ME 2 74 SER QB . . 4.150 2.123 1.858 2.630 . 0 0 "[ . 1 . ]" 1
1044 2 57 MET ME 2 74 SER HB3 . . 4.700 2.466 1.891 3.634 . 0 0 "[ . 1 . ]" 1
1045 2 57 MET ME 2 78 ILE MD . . 5.880 3.754 2.206 3.946 . 0 0 "[ . 1 . ]" 1
1046 2 57 MET QG 2 58 THR H . . 6.380 4.386 2.053 4.626 . 0 0 "[ . 1 . ]" 1
1047 2 58 THR H 2 58 THR HB . . 3.110 2.121 2.053 2.149 . 0 0 "[ . 1 . ]" 1
1048 2 58 THR H 2 58 THR MG . . 3.550 2.912 2.893 2.999 . 0 0 "[ . 1 . ]" 1
1049 2 58 THR H 2 59 HIS H . . 3.110 2.287 2.195 2.420 . 0 0 "[ . 1 . ]" 1
1050 2 58 THR H 2 60 CYS H . . 3.300 3.394 3.361 3.492 0.192 17 0 "[ . 1 . ]" 1
1051 2 58 THR HA 2 58 THR MG . . 3.740 3.103 3.082 3.110 . 0 0 "[ . 1 . ]" 1
1052 2 58 THR HB 2 59 HIS H . . 3.330 3.459 3.450 3.480 0.150 17 0 "[ . 1 . ]" 1
1053 2 58 THR MG 2 59 HIS H . . 4.700 2.371 2.300 2.499 . 0 0 "[ . 1 . ]" 1
1054 2 58 THR MG 2 59 HIS HA . . 5.320 3.224 3.206 3.255 . 0 0 "[ . 1 . ]" 1
1055 2 59 HIS H 2 59 HIS HB2 . . 3.610 2.459 2.250 2.908 . 0 0 "[ . 1 . ]" 1
1056 2 59 HIS H 2 59 HIS QB . . 3.250 2.309 2.218 2.419 . 0 0 "[ . 1 . ]" 1
1057 2 59 HIS H 2 59 HIS HB3 . . 3.610 3.064 2.512 3.580 . 0 0 "[ . 1 . ]" 1
1058 2 59 HIS H 2 60 CYS HB2 . . 4.140 4.009 3.913 4.058 . 0 0 "[ . 1 . ]" 1
1059 2 59 HIS H 2 60 CYS QB . . 3.860 3.653 3.618 3.668 . 0 0 "[ . 1 . ]" 1
1060 2 59 HIS H 2 60 CYS HB3 . . 4.140 4.209 4.180 4.262 0.122 17 0 "[ . 1 . ]" 1
1061 2 59 HIS HA 2 60 CYS H . . 3.550 3.288 3.261 3.310 . 0 0 "[ . 1 . ]" 1
1062 2 59 HIS QB 2 60 CYS H . . 4.460 3.236 3.158 3.305 . 0 0 "[ . 1 . ]" 1
1063 2 59 HIS HB2 2 60 CYS H . . 4.970 3.809 3.382 4.217 . 0 0 "[ . 1 . ]" 1
1064 2 59 HIS HB3 2 60 CYS H . . 4.970 3.585 3.269 4.037 . 0 0 "[ . 1 . ]" 1
1065 2 60 CYS H 2 60 CYS HB2 . . 2.860 2.529 2.478 2.609 . 0 0 "[ . 1 . ]" 1
1066 2 60 CYS H 2 60 CYS HB3 . . 2.860 2.427 2.372 2.523 . 0 0 "[ . 1 . ]" 1
1067 2 60 CYS H 2 61 GLN H . . 5.500 4.355 4.250 4.493 . 0 0 "[ . 1 . ]" 1
1068 2 60 CYS HA 2 61 GLN H . . 2.860 2.152 2.110 2.180 . 0 0 "[ . 1 . ]" 1
1069 2 60 CYS HA 2 62 SER H . . 3.450 3.473 3.394 3.593 0.143 17 0 "[ . 1 . ]" 1
1070 2 60 CYS SG 2 66 CYS SG . . 3.860 3.382 2.473 3.687 . 0 0 "[ . 1 . ]" 1
1071 2 60 CYS SG 2 71 CYS SG . . 3.860 2.673 2.296 3.903 0.043 15 0 "[ . 1 . ]" 1
1072 2 61 GLN H 2 61 GLN HB2 . . 3.330 2.159 2.029 2.313 . 0 0 "[ . 1 . ]" 1
1073 2 61 GLN H 2 61 GLN HB3 . . 3.330 3.268 3.228 3.313 . 0 0 "[ . 1 . ]" 1
1074 2 61 GLN H 2 62 SER H . . 3.050 2.422 2.159 2.673 . 0 0 "[ . 1 . ]" 1
1075 2 61 GLN H 2 63 GLY H . . 4.480 3.926 3.661 4.157 . 0 0 "[ . 1 . ]" 1
1076 2 61 GLN HA 2 62 SER H . . 3.330 3.266 3.236 3.292 . 0 0 "[ . 1 . ]" 1
1077 2 61 GLN QB 2 63 GLY H . . 5.300 4.888 4.862 4.941 . 0 0 "[ . 1 . ]" 1
1078 2 61 GLN HB2 2 62 SER H . . 3.730 3.804 3.772 3.839 0.109 4 0 "[ . 1 . ]" 1
1079 2 61 GLN HB3 2 62 SER H . . 3.730 3.811 3.787 3.839 0.109 14 0 "[ . 1 . ]" 1
1080 2 62 SER H 2 62 SER HB2 . . 3.170 2.350 2.295 2.386 . 0 0 "[ . 1 . ]" 1
1081 2 62 SER H 2 62 SER QB . . 2.980 2.300 2.254 2.329 . 0 0 "[ . 1 . ]" 1
1082 2 62 SER H 2 62 SER HB3 . . 3.170 3.267 3.249 3.289 0.119 12 0 "[ . 1 . ]" 1
1083 2 62 SER H 2 63 GLY H . . 2.930 1.845 1.831 1.895 . 0 0 "[ . 1 . ]" 1
1084 2 62 SER H 2 63 GLY HA2 . . 4.230 4.086 4.069 4.154 . 0 0 "[ . 1 . ]" 1
1085 2 62 SER H 2 63 GLY QA . . 3.970 3.754 3.745 3.787 . 0 0 "[ . 1 . ]" 1
1086 2 62 SER H 2 63 GLY HA3 . . 4.230 4.376 4.337 4.408 0.178 9 0 "[ . 1 . ]" 1
1087 2 62 SER H 2 65 SER H . . 5.500 4.925 4.773 5.510 0.010 17 0 "[ . 1 . ]" 1
1088 2 62 SER H 2 66 CYS HB2 . . 5.310 3.092 2.792 3.570 . 0 0 "[ . 1 . ]" 1
1089 2 62 SER H 2 66 CYS QB . . 4.850 3.048 2.759 3.496 . 0 0 "[ . 1 . ]" 1
1090 2 62 SER H 2 66 CYS HB3 . . 5.310 4.629 4.311 5.000 . 0 0 "[ . 1 . ]" 1
1091 2 62 SER HA 2 63 GLY H . . 3.420 3.433 3.415 3.453 0.033 17 0 "[ . 1 . ]" 1
1092 2 62 SER QB 2 63 GLY H . . 3.850 2.871 2.782 2.938 . 0 0 "[ . 1 . ]" 1
1093 2 62 SER HB2 2 63 GLY H . . 4.040 3.247 3.191 3.325 . 0 0 "[ . 1 . ]" 1
1094 2 62 SER HB2 2 66 CYS H . . 3.700 3.764 3.746 3.808 0.108 15 0 "[ . 1 . ]" 1
1095 2 62 SER HB3 2 63 GLY H . . 4.040 3.201 3.060 3.303 . 0 0 "[ . 1 . ]" 1
1096 2 62 SER HB3 2 66 CYS H . . 3.700 2.288 2.105 2.405 . 0 0 "[ . 1 . ]" 1
1097 2 63 GLY H 2 63 GLY HA2 . . 2.740 2.272 2.265 2.283 . 0 0 "[ . 1 . ]" 1
1098 2 63 GLY H 2 63 GLY HA3 . . 2.740 2.721 2.656 2.736 . 0 0 "[ . 1 . ]" 1
1099 2 63 GLY H 2 64 LYS H . . 3.890 4.008 3.976 4.029 0.139 15 0 "[ . 1 . ]" 1
1100 2 63 GLY H 2 65 SER H . . 5.160 3.926 3.781 4.566 . 0 0 "[ . 1 . ]" 1
1101 2 63 GLY H 2 66 CYS H . . 5.040 3.689 3.324 4.271 . 0 0 "[ . 1 . ]" 1
1102 2 63 GLY H 2 66 CYS HB2 . . 5.500 2.574 2.106 3.510 . 0 0 "[ . 1 . ]" 1
1103 2 63 GLY H 2 66 CYS QB . . 5.350 2.523 2.078 3.384 . 0 0 "[ . 1 . ]" 1
1104 2 63 GLY H 2 66 CYS HB3 . . 5.500 3.676 3.143 4.439 . 0 0 "[ . 1 . ]" 1
1105 2 63 GLY QA 2 64 LYS H . . 2.990 2.229 2.211 2.258 . 0 0 "[ . 1 . ]" 1
1106 2 63 GLY QA 2 65 SER H . . 5.200 3.592 3.507 4.025 . 0 0 "[ . 1 . ]" 1
1107 2 63 GLY QA 2 66 CYS H . . 5.820 3.720 3.350 4.348 . 0 0 "[ . 1 . ]" 1
1108 2 63 GLY HA2 2 64 LYS H . . 3.240 3.451 3.441 3.465 0.225 11 0 "[ . 1 . ]" 1
1109 2 63 GLY HA3 2 64 LYS H . . 3.240 2.257 2.238 2.288 . 0 0 "[ . 1 . ]" 1
1110 2 64 LYS H 2 65 SER H . . 3.300 2.513 2.337 2.594 . 0 0 "[ . 1 . ]" 1
1111 2 64 LYS H 2 66 CYS H . . 5.500 3.907 3.543 4.086 . 0 0 "[ . 1 . ]" 1
1112 2 64 LYS HA 2 72 ALA MB . . 4.730 3.755 3.683 3.817 . 0 0 "[ . 1 . ]" 1
1113 2 64 LYS QB 2 65 SER H . . 4.920 3.358 2.638 3.921 . 0 0 "[ . 1 . ]" 1
1114 2 64 LYS QD 2 65 SER H . . 6.380 4.857 3.687 5.723 . 0 0 "[ . 1 . ]" 1
1115 2 64 LYS QG 2 65 SER H . . 6.380 4.001 2.581 4.720 . 0 0 "[ . 1 . ]" 1
1116 2 65 SER H 2 65 SER HB2 . . 3.240 2.834 2.300 3.253 0.013 4 0 "[ . 1 . ]" 1
1117 2 65 SER H 2 65 SER QB . . 2.990 2.351 2.229 2.421 . 0 0 "[ . 1 . ]" 1
1118 2 65 SER H 2 65 SER HB3 . . 3.240 2.780 2.373 3.260 0.020 8 0 "[ . 1 . ]" 1
1119 2 65 SER H 2 66 CYS H . . 2.860 2.026 1.961 2.261 . 0 0 "[ . 1 . ]" 1
1120 2 65 SER H 2 66 CYS HB2 . . 4.480 3.898 3.732 4.217 . 0 0 "[ . 1 . ]" 1
1121 2 65 SER H 2 66 CYS HB3 . . 4.480 4.538 4.510 4.587 0.107 17 0 "[ . 1 . ]" 1
1122 2 65 SER HA 2 66 CYS H . . 3.270 3.308 3.268 3.349 0.079 15 0 "[ . 1 . ]" 1
1123 2 66 CYS H 2 66 CYS HB2 . . 2.860 2.437 2.337 2.522 . 0 0 "[ . 1 . ]" 1
1124 2 66 CYS H 2 66 CYS HB3 . . 2.860 2.743 2.547 2.828 . 0 0 "[ . 1 . ]" 1
1125 2 66 CYS H 2 67 GLN H . . 5.500 4.385 4.235 4.549 . 0 0 "[ . 1 . ]" 1
1126 2 66 CYS H 2 67 GLN QB . . 5.790 5.295 5.264 5.341 . 0 0 "[ . 1 . ]" 1
1127 2 66 CYS H 2 68 VAL H . . 5.500 5.256 5.118 5.515 0.015 1 0 "[ . 1 . ]" 1
1128 2 66 CYS H 2 72 ALA MB . . 4.920 3.765 3.639 3.889 . 0 0 "[ . 1 . ]" 1
1129 2 66 CYS HA 2 67 GLN H . . 2.680 2.168 2.114 2.284 . 0 0 "[ . 1 . ]" 1
1130 2 66 CYS HA 2 68 VAL H . . 3.730 3.604 3.371 3.821 0.091 14 0 "[ . 1 . ]" 1
1131 2 66 CYS QB 2 67 GLN H . . 4.210 3.644 3.249 3.910 . 0 0 "[ . 1 . ]" 1
1132 2 66 CYS QB 2 68 VAL H . . 4.870 3.303 3.100 3.642 . 0 0 "[ . 1 . ]" 1
1133 2 66 CYS QB 2 71 CYS H . . 6.380 5.492 5.451 5.552 . 0 0 "[ . 1 . ]" 1
1134 2 66 CYS HB2 2 67 GLN H . . 4.450 4.336 4.026 4.492 0.042 10 0 "[ . 1 . ]" 1
1135 2 66 CYS HB2 2 68 VAL H . . 5.100 4.493 4.325 4.561 . 0 0 "[ . 1 . ]" 1
1136 2 66 CYS HB2 2 72 ALA H . . 5.500 5.462 5.288 5.528 0.028 11 0 "[ . 1 . ]" 1
1137 2 66 CYS HB3 2 67 GLN H . . 4.450 3.925 3.414 4.320 . 0 0 "[ . 1 . ]" 1
1138 2 66 CYS HB3 2 68 VAL H . . 5.100 3.403 3.162 3.835 . 0 0 "[ . 1 . ]" 1
1139 2 66 CYS HB3 2 72 ALA H . . 5.500 3.752 3.613 3.838 . 0 0 "[ . 1 . ]" 1
1140 2 66 CYS SG 2 71 CYS SG . . 3.860 3.510 2.628 3.912 0.052 11 0 "[ . 1 . ]" 1
1141 2 67 GLN H 2 67 GLN QG . . 4.800 4.017 3.959 4.172 . 0 0 "[ . 1 . ]" 1
1142 2 67 GLN H 2 68 VAL H . . 3.050 2.499 1.998 2.744 . 0 0 "[ . 1 . ]" 1
1143 2 67 GLN H 2 68 VAL MG2 . . 4.760 3.657 3.491 3.785 . 0 0 "[ . 1 . ]" 1
1144 2 67 GLN HA 2 68 VAL H . . 3.550 2.997 2.942 3.093 . 0 0 "[ . 1 . ]" 1
1145 2 67 GLN QG 2 68 VAL H . . 6.380 4.329 4.263 4.446 . 0 0 "[ . 1 . ]" 1
1146 2 68 VAL H 2 68 VAL HB . . 2.680 2.264 2.246 2.282 . 0 0 "[ . 1 . ]" 1
1147 2 68 VAL H 2 68 VAL MG2 . . 3.430 2.674 2.594 2.740 . 0 0 "[ . 1 . ]" 1
1148 2 68 VAL H 2 69 ALA H . . 5.500 4.459 4.441 4.478 . 0 0 "[ . 1 . ]" 1
1149 2 68 VAL H 2 71 CYS H . . 4.450 4.491 4.470 4.519 0.069 14 0 "[ . 1 . ]" 1
1150 2 68 VAL H 2 71 CYS HB2 . . 4.320 3.463 3.348 3.595 . 0 0 "[ . 1 . ]" 1
1151 2 68 VAL H 2 71 CYS QB . . 4.150 2.509 2.479 2.546 . 0 0 "[ . 1 . ]" 1
1152 2 68 VAL H 2 71 CYS HB3 . . 4.320 2.576 2.539 2.604 . 0 0 "[ . 1 . ]" 1
1153 2 68 VAL HA 2 68 VAL MG1 . . 3.680 2.594 2.556 2.645 . 0 0 "[ . 1 . ]" 1
1154 2 68 VAL HA 2 68 VAL MG2 . . 3.430 2.143 2.029 2.226 . 0 0 "[ . 1 . ]" 1
1155 2 68 VAL HA 2 69 ALA H . . 2.770 2.100 2.093 2.113 . 0 0 "[ . 1 . ]" 1
1156 2 68 VAL HB 2 71 CYS H . . 3.980 4.016 3.992 4.034 0.054 12 0 "[ . 1 . ]" 1
1157 2 68 VAL HB 2 71 CYS HB2 . . 3.390 2.391 2.316 2.528 . 0 0 "[ . 1 . ]" 1
1158 2 68 VAL HB 2 71 CYS QB . . 3.000 2.270 2.227 2.362 . 0 0 "[ . 1 . ]" 1
1159 2 68 VAL HB 2 71 CYS HB3 . . 3.390 2.833 2.783 2.890 . 0 0 "[ . 1 . ]" 1
1160 2 68 VAL HB 2 72 ALA H . . 4.790 4.624 4.556 4.738 . 0 0 "[ . 1 . ]" 1
1161 2 68 VAL MG1 2 69 ALA H . . 3.580 2.686 2.636 2.774 . 0 0 "[ . 1 . ]" 1
1162 2 68 VAL MG1 2 71 CYS H . . 4.420 3.135 2.966 3.309 . 0 0 "[ . 1 . ]" 1
1163 2 68 VAL MG1 2 71 CYS HB2 . . 4.920 2.492 2.360 2.626 . 0 0 "[ . 1 . ]" 1
1164 2 68 VAL MG1 2 71 CYS HB3 . . 4.920 3.687 3.584 3.794 . 0 0 "[ . 1 . ]" 1
1165 2 68 VAL MG1 2 72 ALA H . . 6.530 5.042 4.983 5.100 . 0 0 "[ . 1 . ]" 1
1166 2 68 VAL MG2 2 69 ALA H . . 4.330 3.650 3.560 3.712 . 0 0 "[ . 1 . ]" 1
1167 2 68 VAL MG2 2 71 CYS H . . 6.310 5.191 5.132 5.235 . 0 0 "[ . 1 . ]" 1
1168 2 68 VAL MG2 2 71 CYS HB2 . . 6.500 4.047 3.982 4.159 . 0 0 "[ . 1 . ]" 1
1169 2 68 VAL MG2 2 71 CYS QB . . 6.330 3.692 3.664 3.748 . 0 0 "[ . 1 . ]" 1
1170 2 68 VAL MG2 2 71 CYS HB3 . . 6.500 4.261 4.189 4.334 . 0 0 "[ . 1 . ]" 1
1171 2 69 ALA H 2 69 ALA HA . . 2.900 2.316 2.312 2.321 . 0 0 "[ . 1 . ]" 1
1172 2 69 ALA H 2 69 ALA MB . . 3.430 2.717 2.695 2.740 . 0 0 "[ . 1 . ]" 1
1173 2 69 ALA H 2 71 CYS H . . 5.070 4.648 4.609 4.695 . 0 0 "[ . 1 . ]" 1
1174 2 69 ALA MB 2 70 HIS HD2 . . 4.110 3.091 3.064 3.114 . 0 0 "[ . 1 . ]" 1
1175 2 70 HIS HA 2 73 SER H . . 5.440 3.242 3.191 3.282 . 0 0 "[ . 1 . ]" 1
1176 2 70 HIS QB 2 71 CYS H . . 4.420 3.355 3.330 3.385 . 0 0 "[ . 1 . ]" 1
1177 2 70 HIS HB2 2 71 CYS H . . 5.280 3.536 3.496 3.590 . 0 0 "[ . 1 . ]" 1
1178 2 70 HIS HB3 2 71 CYS H . . 5.280 4.174 4.142 4.207 . 0 0 "[ . 1 . ]" 1
1179 2 70 HIS O 2 74 SER H . . 2.300 1.574 1.522 1.659 . 0 0 "[ . 1 . ]" 1
1180 2 70 HIS O 2 74 SER N . . 3.300 2.523 2.486 2.590 . 0 0 "[ . 1 . ]" 1
1181 2 71 CYS H 2 71 CYS HB2 . . 3.020 2.272 2.223 2.339 . 0 0 "[ . 1 . ]" 1
1182 2 71 CYS H 2 71 CYS HB3 . . 3.020 2.870 2.793 2.935 . 0 0 "[ . 1 . ]" 1
1183 2 71 CYS H 2 72 ALA H . . 3.270 3.332 3.308 3.359 0.089 11 0 "[ . 1 . ]" 1
1184 2 71 CYS H 2 72 ALA MB . . 6.530 4.822 4.792 4.847 . 0 0 "[ . 1 . ]" 1
1185 2 71 CYS HA 2 74 SER H . . 3.550 3.581 3.535 3.604 0.054 5 0 "[ . 1 . ]" 1
1186 2 71 CYS QB 2 72 ALA H . . 3.270 1.984 1.950 2.013 . 0 0 "[ . 1 . ]" 1
1187 2 71 CYS HB2 2 72 ALA H . . 3.550 3.462 3.411 3.511 . 0 0 "[ . 1 . ]" 1
1188 2 71 CYS HB3 2 72 ALA H . . 3.550 1.996 1.961 2.027 . 0 0 "[ . 1 . ]" 1
1189 2 71 CYS O 2 75 ARG H . . 2.300 1.846 1.685 2.041 . 0 0 "[ . 1 . ]" 1
1190 2 71 CYS O 2 75 ARG N . . 3.300 2.777 2.594 3.010 . 0 0 "[ . 1 . ]" 1
1191 2 72 ALA H 2 72 ALA MB . . 3.430 2.081 2.039 2.126 . 0 0 "[ . 1 . ]" 1
1192 2 72 ALA H 2 73 SER H . . 3.580 2.752 2.722 2.797 . 0 0 "[ . 1 . ]" 1
1193 2 72 ALA HA 2 75 ARG H . . 3.610 3.604 3.304 3.654 0.044 3 0 "[ . 1 . ]" 1
1194 2 72 ALA O 2 76 GLN H . . 2.300 1.788 1.663 1.925 . 0 0 "[ . 1 . ]" 1
1195 2 72 ALA O 2 76 GLN N . . 3.300 2.691 2.569 2.867 . 0 0 "[ . 1 . ]" 1
1196 2 73 SER H 2 74 SER H . . 3.480 2.622 2.538 2.673 . 0 0 "[ . 1 . ]" 1
1197 2 73 SER H 2 75 ARG H . . 5.000 3.952 3.730 4.352 . 0 0 "[ . 1 . ]" 1
1198 2 73 SER O 2 77 ILE H . . 2.300 1.564 1.464 1.675 . 0 0 "[ . 1 . ]" 1
1199 2 73 SER O 2 77 ILE N . . 3.300 2.504 2.381 2.596 . 0 0 "[ . 1 . ]" 1
1200 2 74 SER H 2 74 SER HB2 . . 3.360 2.545 2.076 3.497 0.137 2 0 "[ . 1 . ]" 1
1201 2 74 SER H 2 74 SER QB . . 3.060 2.181 2.056 2.875 . 0 0 "[ . 1 . ]" 1
1202 2 74 SER H 2 74 SER HB3 . . 3.360 3.064 2.152 3.422 0.062 4 0 "[ . 1 . ]" 1
1203 2 74 SER H 2 74 SER HG . . 3.390 3.188 2.396 3.393 0.003 11 0 "[ . 1 . ]" 1
1204 2 74 SER H 2 75 ARG H . . 3.300 2.693 2.579 2.824 . 0 0 "[ . 1 . ]" 1
1205 2 74 SER H 2 77 ILE MD . . 4.950 3.867 3.639 3.987 . 0 0 "[ . 1 . ]" 1
1206 2 74 SER HA 2 75 ARG H . . 3.550 3.519 3.487 3.558 0.008 16 0 "[ . 1 . ]" 1
1207 2 74 SER HA 2 77 ILE H . . 3.700 3.727 3.613 3.763 0.063 10 0 "[ . 1 . ]" 1
1208 2 74 SER HA 2 78 ILE H . . 3.550 3.396 3.253 3.542 . 0 0 "[ . 1 . ]" 1
1209 2 74 SER HB2 2 75 ARG H . . 3.730 3.256 2.387 3.773 0.043 9 0 "[ . 1 . ]" 1
1210 2 74 SER HB3 2 75 ARG H . . 3.730 3.333 3.045 3.826 0.096 17 0 "[ . 1 . ]" 1
1211 2 74 SER HG 2 75 ARG H . . 5.500 4.224 2.280 5.007 . 0 0 "[ . 1 . ]" 1
1212 2 74 SER O 2 78 ILE H . . 2.300 2.063 1.632 2.315 0.015 13 0 "[ . 1 . ]" 1
1213 2 74 SER O 2 78 ILE N . . 3.300 2.926 2.533 3.181 . 0 0 "[ . 1 . ]" 1
1214 2 75 ARG H 2 75 ARG QB . . 3.530 2.199 2.097 2.290 . 0 0 "[ . 1 . ]" 1
1215 2 75 ARG H 2 76 GLN H . . 3.210 2.588 2.346 2.868 . 0 0 "[ . 1 . ]" 1
1216 2 75 ARG HA 2 75 ARG HD2 . . 5.100 3.112 1.974 4.629 . 0 0 "[ . 1 . ]" 1
1217 2 75 ARG HA 2 75 ARG QD . . 4.350 2.730 1.956 3.789 . 0 0 "[ . 1 . ]" 1
1218 2 75 ARG HA 2 75 ARG HD3 . . 5.100 3.477 2.288 4.618 . 0 0 "[ . 1 . ]" 1
1219 2 75 ARG HA 2 75 ARG QG . . 3.960 2.488 2.112 3.093 . 0 0 "[ . 1 . ]" 1
1220 2 75 ARG HA 2 77 ILE H . . 4.540 4.567 4.529 4.604 0.064 5 0 "[ . 1 . ]" 1
1221 2 75 ARG O 2 79 SER H . . 2.300 2.138 1.878 2.315 0.015 10 0 "[ . 1 . ]" 1
1222 2 75 ARG O 2 79 SER N . . 3.300 2.876 2.623 3.071 . 0 0 "[ . 1 . ]" 1
1223 2 76 GLN H 2 76 GLN HB2 . . 3.170 2.410 2.102 2.565 . 0 0 "[ . 1 . ]" 1
1224 2 76 GLN H 2 76 GLN QB . . 2.980 2.222 2.070 2.261 . 0 0 "[ . 1 . ]" 1
1225 2 76 GLN H 2 76 GLN HB3 . . 3.170 2.669 2.492 3.107 . 0 0 "[ . 1 . ]" 1
1226 2 76 GLN H 2 76 GLN HG2 . . 5.160 4.538 4.151 4.640 . 0 0 "[ . 1 . ]" 1
1227 2 76 GLN H 2 76 GLN QG . . 4.870 3.996 3.808 4.050 . 0 0 "[ . 1 . ]" 1
1228 2 76 GLN H 2 76 GLN HG3 . . 5.160 4.445 4.354 4.567 . 0 0 "[ . 1 . ]" 1
1229 2 76 GLN H 2 77 ILE H . . 3.300 2.654 2.537 2.795 . 0 0 "[ . 1 . ]" 1
1230 2 76 GLN QG 2 77 ILE H . . 6.380 3.867 3.466 4.411 . 0 0 "[ . 1 . ]" 1
1231 2 76 GLN O 2 80 HIS H . . 2.300 2.304 2.136 2.370 0.070 3 0 "[ . 1 . ]" 1
1232 2 76 GLN O 2 80 HIS N . . 3.300 3.230 3.087 3.291 . 0 0 "[ . 1 . ]" 1
1233 2 77 ILE H 2 77 ILE HB . . 2.900 2.479 2.418 2.587 . 0 0 "[ . 1 . ]" 1
1234 2 77 ILE H 2 78 ILE H . . 3.360 2.967 2.843 3.103 . 0 0 "[ . 1 . ]" 1
1235 2 77 ILE H 2 79 SER H . . 4.690 3.770 3.731 3.844 . 0 0 "[ . 1 . ]" 1
1236 2 77 ILE HA 2 80 HIS H . . 4.070 3.551 3.414 3.666 . 0 0 "[ . 1 . ]" 1
1237 2 77 ILE HB 2 78 ILE H . . 3.360 2.163 2.060 2.268 . 0 0 "[ . 1 . ]" 1
1238 2 77 ILE O 2 81 TRP H . . 2.300 2.283 2.165 2.342 0.042 4 0 "[ . 1 . ]" 1
1239 2 77 ILE O 2 81 TRP N . . 3.300 3.225 3.117 3.290 . 0 0 "[ . 1 . ]" 1
1240 2 78 ILE H 2 78 ILE HB . . 2.930 2.296 2.265 2.328 . 0 0 "[ . 1 . ]" 1
1241 2 78 ILE H 2 78 ILE MD . . 4.330 2.087 1.960 2.169 . 0 0 "[ . 1 . ]" 1
1242 2 78 ILE H 2 78 ILE HG12 . . 4.070 3.640 3.422 4.085 0.015 5 0 "[ . 1 . ]" 1
1243 2 78 ILE H 2 78 ILE QG . . 3.700 3.357 3.214 3.424 . 0 0 "[ . 1 . ]" 1
1244 2 78 ILE H 2 78 ILE HG13 . . 4.070 3.988 3.363 4.117 0.047 1 0 "[ . 1 . ]" 1
1245 2 78 ILE H 2 79 SER H . . 3.170 2.774 2.707 2.831 . 0 0 "[ . 1 . ]" 1
1246 2 78 ILE H 2 80 HIS H . . 5.040 4.649 4.524 4.779 . 0 0 "[ . 1 . ]" 1
1247 2 78 ILE HA 2 78 ILE MD . . 3.890 2.015 1.896 3.060 . 0 0 "[ . 1 . ]" 1
1248 2 78 ILE HA 2 78 ILE QG . . 3.940 2.595 2.074 2.784 . 0 0 "[ . 1 . ]" 1
1249 2 78 ILE HA 2 79 SER H . . 3.450 3.485 3.476 3.492 0.042 13 0 "[ . 1 . ]" 1
1250 2 78 ILE HA 2 80 HIS H . . 4.820 4.572 4.401 4.768 . 0 0 "[ . 1 . ]" 1
1251 2 78 ILE HA 2 81 TRP H . . 3.950 3.562 3.412 3.789 . 0 0 "[ . 1 . ]" 1
1252 2 78 ILE HB 2 79 SER H . . 3.170 3.048 3.000 3.106 . 0 0 "[ . 1 . ]" 1
1253 2 78 ILE MD 2 79 SER H . . 5.570 4.173 4.109 4.264 . 0 0 "[ . 1 . ]" 1
1254 2 78 ILE HG12 2 79 SER H . . 5.500 5.253 5.167 5.416 . 0 0 "[ . 1 . ]" 1
1255 2 78 ILE HG13 2 79 SER H . . 5.500 5.281 4.969 5.367 . 0 0 "[ . 1 . ]" 1
1256 2 78 ILE MG 2 79 SER H . . 4.050 3.211 3.161 3.245 . 0 0 "[ . 1 . ]" 1
1257 2 78 ILE O 2 82 LYS H . . 2.300 2.179 1.966 2.325 0.025 2 0 "[ . 1 . ]" 1
1258 2 78 ILE O 2 82 LYS N . . 3.300 2.853 2.635 3.054 . 0 0 "[ . 1 . ]" 1
1259 2 79 SER H 2 79 SER HA . . 2.900 2.805 2.793 2.815 . 0 0 "[ . 1 . ]" 1
1260 2 79 SER H 2 79 SER HB2 . . 3.110 2.721 2.116 3.110 . 0 0 "[ . 1 . ]" 1
1261 2 79 SER H 2 79 SER HB3 . . 3.110 2.427 2.122 3.123 0.013 10 0 "[ . 1 . ]" 1
1262 2 79 SER H 2 81 TRP H . . 4.760 4.324 4.223 4.509 . 0 0 "[ . 1 . ]" 1
1263 2 79 SER O 2 83 ASN H . . 2.300 1.882 1.591 2.289 . 0 0 "[ . 1 . ]" 1
1264 2 79 SER O 2 83 ASN N . . 3.300 2.819 2.527 3.231 . 0 0 "[ . 1 . ]" 1
1265 2 80 HIS H 2 80 HIS HB2 . . 3.240 2.894 2.858 2.939 . 0 0 "[ . 1 . ]" 1
1266 2 80 HIS H 2 80 HIS HB3 . . 3.240 2.224 2.172 2.274 . 0 0 "[ . 1 . ]" 1
1267 2 80 HIS H 2 80 HIS HD2 . . 5.500 4.559 4.450 4.626 . 0 0 "[ . 1 . ]" 1
1268 2 80 HIS H 2 81 TRP H . . 3.300 2.851 2.770 2.921 . 0 0 "[ . 1 . ]" 1
1269 2 80 HIS H 2 81 TRP QB . . 5.230 4.353 4.264 4.421 . 0 0 "[ . 1 . ]" 1
1270 2 80 HIS H 2 82 LYS H . . 4.200 3.902 3.827 3.977 . 0 0 "[ . 1 . ]" 1
1271 2 80 HIS HA 2 83 ASN H . . 4.260 3.466 3.255 3.845 . 0 0 "[ . 1 . ]" 1
1272 2 80 HIS QB 2 81 TRP H . . 3.370 2.379 2.241 2.443 . 0 0 "[ . 1 . ]" 1
1273 2 80 HIS HB2 2 81 TRP H . . 3.760 3.760 3.652 3.788 0.028 13 0 "[ . 1 . ]" 1
1274 2 80 HIS HB3 2 81 TRP H . . 3.760 2.406 2.262 2.474 . 0 0 "[ . 1 . ]" 1
1275 2 80 HIS HD2 2 81 TRP H . . 4.850 2.225 2.130 2.324 . 0 0 "[ . 1 . ]" 1
1276 2 80 HIS HD2 2 81 TRP HA . . 3.730 2.172 2.100 2.327 . 0 0 "[ . 1 . ]" 1
1277 2 80 HIS HD2 2 81 TRP HB2 . . 5.500 3.017 2.777 3.210 . 0 0 "[ . 1 . ]" 1
1278 2 80 HIS HD2 2 81 TRP HB3 . . 5.500 4.047 3.971 4.094 . 0 0 "[ . 1 . ]" 1
1279 2 80 HIS HD2 2 81 TRP HE3 . . 5.500 5.635 5.582 5.699 0.199 2 0 "[ . 1 . ]" 1
1280 2 80 HIS HD2 2 84 CYS HB2 . . 5.500 3.991 3.442 5.468 . 0 0 "[ . 1 . ]" 1
1281 2 80 HIS HD2 2 84 CYS HB3 . . 5.500 4.450 3.049 5.503 0.003 15 0 "[ . 1 . ]" 1
1282 2 80 HIS HD2 2 91 VAL HB . . 5.500 3.616 3.164 4.014 . 0 0 "[ . 1 . ]" 1
1283 2 80 HIS HD2 2 91 VAL MG1 . . 4.330 3.296 3.263 3.380 . 0 0 "[ . 1 . ]" 1
1284 2 80 HIS HD2 2 91 VAL MG2 . . 5.750 3.778 3.581 4.383 . 0 0 "[ . 1 . ]" 1
1285 2 80 HIS HE1 2 81 TRP HD1 . . 5.500 5.419 5.328 5.524 0.024 4 0 "[ . 1 . ]" 1
1286 2 80 HIS HE1 2 84 CYS HB2 . . 5.500 4.286 3.496 4.867 . 0 0 "[ . 1 . ]" 1
1287 2 80 HIS HE1 2 84 CYS QB . . 5.180 4.040 3.218 4.560 . 0 0 "[ . 1 . ]" 1
1288 2 80 HIS HE1 2 84 CYS HB3 . . 5.500 4.992 3.762 5.518 0.018 15 0 "[ . 1 . ]" 1
1289 2 80 HIS NE2 2 84 CYS SG . . 3.860 3.476 2.982 3.866 0.006 3 0 "[ . 1 . ]" 1
1290 2 80 HIS NE2 2 89 CYS SG . . 3.860 3.698 2.959 3.921 0.061 7 0 "[ . 1 . ]" 1
1291 2 80 HIS NE2 2 92 CYS SG . . 3.860 3.952 3.924 4.007 0.147 7 0 "[ . 1 . ]" 1
1292 2 80 HIS O 2 84 CYS H . . 2.300 1.781 1.577 2.165 . 0 0 "[ . 1 . ]" 1
1293 2 80 HIS O 2 84 CYS N . . 3.300 2.581 2.492 2.725 . 0 0 "[ . 1 . ]" 1
1294 2 81 TRP H 2 81 TRP HB2 . . 3.760 2.017 1.981 2.045 . 0 0 "[ . 1 . ]" 1
1295 2 81 TRP H 2 81 TRP QB . . 3.300 2.000 1.963 2.028 . 0 0 "[ . 1 . ]" 1
1296 2 81 TRP H 2 81 TRP HB3 . . 3.760 3.300 3.208 3.360 . 0 0 "[ . 1 . ]" 1
1297 2 81 TRP H 2 81 TRP HD1 . . 5.500 3.267 3.073 3.525 . 0 0 "[ . 1 . ]" 1
1298 2 81 TRP HA 2 81 TRP HE3 . . 5.500 4.090 3.905 4.242 . 0 0 "[ . 1 . ]" 1
1299 2 81 TRP HA 2 83 ASN H . . 4.820 4.765 4.524 4.849 0.029 7 0 "[ . 1 . ]" 1
1300 2 81 TRP HA 2 84 CYS H . . 4.200 3.892 3.649 4.209 0.009 5 0 "[ . 1 . ]" 1
1301 2 81 TRP HH2 2 96 LYS H . . 5.500 4.742 4.247 4.983 . 0 0 "[ . 1 . ]" 1
1302 2 81 TRP HZ3 2 92 CYS HA . . 4.010 4.188 4.137 4.234 0.224 7 0 "[ . 1 . ]" 1
1303 2 81 TRP HZ3 2 92 CYS HB2 . . 5.500 5.502 4.751 5.564 0.064 10 0 "[ . 1 . ]" 1
1304 2 81 TRP HZ3 2 92 CYS QB . . 5.210 3.797 3.727 4.104 . 0 0 "[ . 1 . ]" 1
1305 2 81 TRP HZ3 2 92 CYS HB3 . . 5.500 3.883 3.789 4.488 . 0 0 "[ . 1 . ]" 1
1306 2 82 LYS H 2 82 LYS QD . . 5.790 4.365 3.870 4.709 . 0 0 "[ . 1 . ]" 1
1307 2 82 LYS H 2 83 ASN H . . 3.610 2.469 2.263 2.837 . 0 0 "[ . 1 . ]" 1
1308 2 82 LYS QB 2 83 ASN H . . 5.040 2.485 2.183 2.762 . 0 0 "[ . 1 . ]" 1
1309 2 82 LYS QB 2 83 ASN HD21 . . 6.380 4.161 2.662 5.369 . 0 0 "[ . 1 . ]" 1
1310 2 82 LYS QB 2 83 ASN HD22 . . 6.380 4.589 3.424 5.383 . 0 0 "[ . 1 . ]" 1
1311 2 82 LYS QD 2 83 ASN H . . 6.380 4.002 2.574 5.243 . 0 0 "[ . 1 . ]" 1
1312 2 82 LYS QD 2 83 ASN QD . . 7.250 3.781 1.981 5.300 . 0 0 "[ . 1 . ]" 1
1313 2 82 LYS QG 2 83 ASN H . . 6.380 3.685 3.066 4.164 . 0 0 "[ . 1 . ]" 1
1314 2 83 ASN H 2 83 ASN HB2 . . 3.580 2.321 2.097 2.649 . 0 0 "[ . 1 . ]" 1
1315 2 83 ASN H 2 83 ASN QB . . 3.390 2.287 2.078 2.587 . 0 0 "[ . 1 . ]" 1
1316 2 83 ASN H 2 83 ASN HB3 . . 3.580 3.498 3.281 3.638 0.058 13 0 "[ . 1 . ]" 1
1317 2 83 ASN H 2 84 CYS H . . 3.270 2.507 2.349 2.744 . 0 0 "[ . 1 . ]" 1
1318 2 83 ASN HA 2 83 ASN HD22 . . 5.500 3.929 3.288 4.799 . 0 0 "[ . 1 . ]" 1
1319 2 83 ASN QB 2 84 CYS H . . 3.900 2.912 2.237 3.580 . 0 0 "[ . 1 . ]" 1
1320 2 83 ASN HB2 2 84 CYS H . . 4.350 3.107 2.271 4.034 . 0 0 "[ . 1 . ]" 1
1321 2 83 ASN HB3 2 84 CYS H . . 4.350 3.684 2.784 4.223 . 0 0 "[ . 1 . ]" 1
1322 2 84 CYS H 2 84 CYS HB2 . . 3.270 2.408 2.060 3.390 0.120 16 0 "[ . 1 . ]" 1
1323 2 84 CYS H 2 84 CYS QB . . 3.080 2.141 2.040 2.282 . 0 0 "[ . 1 . ]" 1
1324 2 84 CYS H 2 84 CYS HB3 . . 3.270 2.800 2.063 3.282 0.012 15 0 "[ . 1 . ]" 1
1325 2 84 CYS HA 2 85 THR H . . 3.300 2.201 2.133 2.419 . 0 0 "[ . 1 . ]" 1
1326 2 84 CYS SG 2 89 CYS SG . . 3.860 2.013 1.572 2.673 . 0 0 "[ . 1 . ]" 1
1327 2 84 CYS SG 2 92 CYS SG . . 3.860 3.495 2.063 3.880 0.020 11 0 "[ . 1 . ]" 1
1328 2 87 HIS QB 2 88 ASP H . . 6.380 2.957 1.899 4.013 . 0 0 "[ . 1 . ]" 1
1329 2 88 ASP H 2 89 CYS H . . 3.450 2.855 1.994 3.483 0.033 1 0 "[ . 1 . ]" 1
1330 2 88 ASP HA 2 88 ASP HB2 . . 3.050 2.751 2.456 3.024 . 0 0 "[ . 1 . ]" 1
1331 2 88 ASP HA 2 88 ASP HB3 . . 3.050 2.696 2.370 3.014 . 0 0 "[ . 1 . ]" 1
1332 2 88 ASP HB2 2 89 CYS H . . 5.440 4.249 3.363 4.661 . 0 0 "[ . 1 . ]" 1
1333 2 88 ASP HB3 2 89 CYS H . . 5.440 4.235 2.683 4.581 . 0 0 "[ . 1 . ]" 1
1334 2 89 CYS H 2 90 PRO QD . . 6.380 3.934 3.621 4.342 . 0 0 "[ . 1 . ]" 1
1335 2 89 CYS H 2 93 LEU MD2 . . 5.850 3.796 2.548 4.779 . 0 0 "[ . 1 . ]" 1
1336 2 89 CYS HA 2 91 VAL H . . 4.940 3.512 3.337 4.302 . 0 0 "[ . 1 . ]" 1
1337 2 89 CYS QB 2 91 VAL H . . 6.350 3.524 2.923 3.886 . 0 0 "[ . 1 . ]" 1
1338 2 89 CYS SG 2 92 CYS SG . . 3.860 3.664 2.786 3.882 0.022 13 0 "[ . 1 . ]" 1
1339 2 91 VAL H 2 91 VAL HB . . 2.930 2.931 2.546 3.018 0.088 8 0 "[ . 1 . ]" 1
1340 2 91 VAL H 2 91 VAL MG1 . . 4.390 3.765 3.743 3.799 . 0 0 "[ . 1 . ]" 1
1341 2 91 VAL H 2 91 VAL MG2 . . 3.740 2.032 1.900 2.438 . 0 0 "[ . 1 . ]" 1
1342 2 91 VAL H 2 93 LEU H . . 4.880 3.713 3.144 4.015 . 0 0 "[ . 1 . ]" 1
1343 2 91 VAL HA 2 91 VAL MG2 . . 3.520 2.680 2.340 2.754 . 0 0 "[ . 1 . ]" 1
1344 2 91 VAL HB 2 92 CYS H . . 3.270 1.882 1.830 1.963 . 0 0 "[ . 1 . ]" 1
1345 2 91 VAL MG1 2 92 CYS H . . 4.540 3.422 2.939 3.514 . 0 0 "[ . 1 . ]" 1
1346 2 91 VAL MG2 2 92 CYS H . . 4.300 3.009 2.856 3.502 . 0 0 "[ . 1 . ]" 1
1347 2 91 VAL O 2 95 LEU H . . 2.300 2.401 2.348 2.428 0.128 1 0 "[ . 1 . ]" 1
1348 2 91 VAL O 2 95 LEU N . . 3.300 3.310 3.278 3.356 0.056 7 0 "[ . 1 . ]" 1
1349 2 92 CYS H 2 92 CYS QB . . 3.880 2.813 2.737 2.899 . 0 0 "[ . 1 . ]" 1
1350 2 92 CYS H 2 93 LEU H . . 3.830 2.758 2.584 2.940 . 0 0 "[ . 1 . ]" 1
1351 2 92 CYS O 2 96 LYS H . . 2.300 2.196 1.918 2.337 0.037 4 0 "[ . 1 . ]" 1
1352 2 92 CYS O 2 96 LYS N . . 3.300 2.842 2.594 3.048 . 0 0 "[ . 1 . ]" 1
1353 2 93 LEU H 2 93 LEU QB . . 3.850 2.098 2.059 2.288 . 0 0 "[ . 1 . ]" 1
1354 2 93 LEU H 2 94 PRO QD . . 6.380 2.415 1.964 2.686 . 0 0 "[ . 1 . ]" 1
1355 2 93 LEU HA 2 96 LYS H . . 3.730 3.565 3.157 3.749 0.019 11 0 "[ . 1 . ]" 1
1356 2 93 LEU O 2 97 ASN H . . 2.300 2.302 2.052 2.351 0.051 15 0 "[ . 1 . ]" 1
1357 2 93 LEU O 2 97 ASN N . . 3.300 3.025 2.834 3.199 . 0 0 "[ . 1 . ]" 1
1358 2 95 LEU H 2 96 LYS H . . 3.050 2.618 2.366 2.735 . 0 0 "[ . 1 . ]" 1
1359 2 95 LEU QB 2 96 LYS H . . 4.550 3.048 2.909 3.136 . 0 0 "[ . 1 . ]" 1
1360 2 96 LYS H 2 97 ASN H . . 3.330 2.275 2.205 2.440 . 0 0 "[ . 1 . ]" 1
1361 2 96 LYS HA 2 97 ASN H . . 3.080 3.375 3.321 3.404 0.324 5 0 "[ . 1 . ]" 1
1362 2 96 LYS QB 2 97 ASN H . . 3.740 2.986 2.823 3.474 . 0 0 "[ . 1 . ]" 1
1363 2 96 LYS HB2 2 97 ASN H . . 3.980 4.041 3.992 4.081 0.101 7 0 "[ . 1 . ]" 1
1364 2 96 LYS HB3 2 97 ASN H . . 3.980 3.090 2.883 3.793 . 0 0 "[ . 1 . ]" 1
1365 2 96 LYS QG 2 97 ASN H . . 5.200 3.924 2.034 4.412 . 0 0 "[ . 1 . ]" 1
1366 2 96 LYS HG2 2 97 ASN H . . 5.440 4.302 3.577 4.675 . 0 0 "[ . 1 . ]" 1
1367 2 96 LYS HG3 2 97 ASN H . . 5.440 4.849 2.045 5.412 . 0 0 "[ . 1 . ]" 1
1368 2 97 ASN H 2 97 ASN HB2 . . 3.580 2.534 2.120 3.270 . 0 0 "[ . 1 . ]" 1
1369 2 97 ASN H 2 97 ASN QB . . 3.290 2.355 2.100 2.740 . 0 0 "[ . 1 . ]" 1
1370 2 97 ASN H 2 97 ASN HB3 . . 3.580 3.040 2.511 3.554 . 0 0 "[ . 1 . ]" 1
1371 2 97 ASN H 2 98 ALA H . . 3.420 2.902 2.209 3.435 0.015 9 0 "[ . 1 . ]" 1
1372 2 97 ASN HB2 2 98 ALA H . . 4.630 3.718 2.276 4.658 0.028 9 0 "[ . 1 . ]" 1
1373 2 97 ASN HB3 2 98 ALA H . . 4.630 3.229 1.920 4.456 . 0 0 "[ . 1 . ]" 1
1374 2 98 ALA H 2 98 ALA MB . . 3.430 2.648 2.155 2.903 . 0 0 "[ . 1 . ]" 1
1375 2 98 ALA H 2 99 GLY H . . 3.450 2.879 2.487 3.470 0.020 3 0 "[ . 1 . ]" 1
1376 2 98 ALA HA 2 99 GLY H . . 3.330 3.047 2.211 3.506 0.176 5 0 "[ . 1 . ]" 1
1377 2 98 ALA MB 2 99 GLY H . . 4.170 3.131 1.938 3.567 . 0 0 "[ . 1 . ]" 1
1378 2 99 GLY H 2 100 ASP H . . 3.240 2.648 1.944 3.243 0.003 14 0 "[ . 1 . ]" 1
1379 2 100 ASP HA 2 101 LYS H . . 3.270 2.353 2.141 2.834 . 0 0 "[ . 1 . ]" 1
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