NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415558 |
2db8   |
10299 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2db8
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 1820
_Distance_constraint_stats_list.Viol_count 652
_Distance_constraint_stats_list.Viol_total 177.879
_Distance_constraint_stats_list.Viol_max 0.217
_Distance_constraint_stats_list.Viol_rms 0.0036
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0136
_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 7 GLY 0.003 0.002 15 0 "[ . 1 . 2]"
1 8 PRO 0.072 0.021 20 0 "[ . 1 . 2]"
1 9 VAL 0.062 0.021 20 0 "[ . 1 . 2]"
1 10 PRO 0.208 0.048 20 0 "[ . 1 . 2]"
1 11 ALA 0.237 0.026 14 0 "[ . 1 . 2]"
1 12 THR 0.079 0.026 13 0 "[ . 1 . 2]"
1 13 PRO 0.164 0.026 13 0 "[ . 1 . 2]"
1 14 ILE 0.741 0.077 8 0 "[ . 1 . 2]"
1 15 LEU 0.104 0.033 13 0 "[ . 1 . 2]"
1 16 GLN 0.033 0.015 7 0 "[ . 1 . 2]"
1 17 LEU 0.049 0.029 11 0 "[ . 1 . 2]"
1 18 GLU 0.003 0.003 5 0 "[ . 1 . 2]"
1 19 GLU 0.099 0.034 4 0 "[ . 1 . 2]"
1 22 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.015 0.008 19 0 "[ . 1 . 2]"
1 25 ASN 0.014 0.008 19 0 "[ . 1 . 2]"
1 26 SER 0.060 0.011 16 0 "[ . 1 . 2]"
1 27 ALA 0.032 0.009 20 0 "[ . 1 . 2]"
1 28 THR 0.086 0.045 10 0 "[ . 1 . 2]"
1 29 LEU 0.607 0.094 9 0 "[ . 1 . 2]"
1 30 SER 0.056 0.029 10 0 "[ . 1 . 2]"
1 31 TRP 0.361 0.048 13 0 "[ . 1 . 2]"
1 32 LYS 0.216 0.047 16 0 "[ . 1 . 2]"
1 33 GLN 0.007 0.004 6 0 "[ . 1 . 2]"
1 34 PRO 0.283 0.051 8 0 "[ . 1 . 2]"
1 35 PRO 0.173 0.051 8 0 "[ . 1 . 2]"
1 36 LEU 0.140 0.051 8 0 "[ . 1 . 2]"
1 37 SER 0.124 0.051 8 0 "[ . 1 . 2]"
1 38 THR 0.217 0.217 14 0 "[ . 1 . 2]"
1 39 VAL 0.127 0.046 12 0 "[ . 1 . 2]"
1 40 PRO 0.064 0.046 12 0 "[ . 1 . 2]"
1 41 ALA 0.021 0.010 15 0 "[ . 1 . 2]"
1 42 ASP 0.007 0.007 13 0 "[ . 1 . 2]"
1 43 GLY 0.027 0.010 20 0 "[ . 1 . 2]"
1 44 TYR 0.070 0.016 20 0 "[ . 1 . 2]"
1 45 ILE 0.037 0.012 9 0 "[ . 1 . 2]"
1 46 LEU 0.267 0.094 9 0 "[ . 1 . 2]"
1 47 GLU 0.085 0.010 5 0 "[ . 1 . 2]"
1 48 LEU 0.091 0.049 4 0 "[ . 1 . 2]"
1 49 ASP 0.114 0.049 4 0 "[ . 1 . 2]"
1 50 ASP 0.019 0.007 4 0 "[ . 1 . 2]"
1 51 GLY 0.009 0.004 9 0 "[ . 1 . 2]"
1 52 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.009 0.007 4 0 "[ . 1 . 2]"
1 55 GLN 0.039 0.038 9 0 "[ . 1 . 2]"
1 56 PHE 0.111 0.038 9 0 "[ . 1 . 2]"
1 57 ARG 0.122 0.039 9 0 "[ . 1 . 2]"
1 58 GLU 0.056 0.012 9 0 "[ . 1 . 2]"
1 59 VAL 0.074 0.013 9 0 "[ . 1 . 2]"
1 60 TYR 0.181 0.046 15 0 "[ . 1 . 2]"
1 61 VAL 0.352 0.084 20 0 "[ . 1 . 2]"
1 62 GLY 0.004 0.004 4 0 "[ . 1 . 2]"
1 63 LYS 0.306 0.053 12 0 "[ . 1 . 2]"
1 64 GLU 0.142 0.038 20 0 "[ . 1 . 2]"
1 65 THR 0.257 0.082 19 0 "[ . 1 . 2]"
1 66 MET 0.388 0.063 17 0 "[ . 1 . 2]"
1 67 CYS 0.034 0.020 20 0 "[ . 1 . 2]"
1 68 THR 0.143 0.062 18 0 "[ . 1 . 2]"
1 69 VAL 0.414 0.081 11 0 "[ . 1 . 2]"
1 70 ASP 0.095 0.011 16 0 "[ . 1 . 2]"
1 71 GLY 0.062 0.044 18 0 "[ . 1 . 2]"
1 72 LEU 0.392 0.081 11 0 "[ . 1 . 2]"
1 73 HIS 0.014 0.010 12 0 "[ . 1 . 2]"
1 74 PHE 0.034 0.012 7 0 "[ . 1 . 2]"
1 75 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.016 0.010 16 0 "[ . 1 . 2]"
1 77 THR 0.035 0.027 16 0 "[ . 1 . 2]"
1 78 TYR 0.077 0.010 16 0 "[ . 1 . 2]"
1 79 ASN 0.020 0.010 16 0 "[ . 1 . 2]"
1 80 ALA 0.021 0.005 16 0 "[ . 1 . 2]"
1 81 ARG 0.046 0.009 13 0 "[ . 1 . 2]"
1 82 VAL 0.094 0.014 20 0 "[ . 1 . 2]"
1 83 LYS 0.057 0.012 8 0 "[ . 1 . 2]"
1 84 ALA 0.085 0.021 20 0 "[ . 1 . 2]"
1 85 PHE 0.539 0.084 20 0 "[ . 1 . 2]"
1 86 ASN 0.099 0.032 20 0 "[ . 1 . 2]"
1 87 LYS 0.947 0.182 18 0 "[ . 1 . 2]"
1 88 THR 0.004 0.002 15 0 "[ . 1 . 2]"
1 89 GLY 1.637 0.090 10 0 "[ . 1 . 2]"
1 90 VAL 1.773 0.090 10 0 "[ . 1 . 2]"
1 91 SER 0.041 0.021 20 0 "[ . 1 . 2]"
1 92 PRO 0.159 0.047 20 0 "[ . 1 . 2]"
1 93 TYR 0.188 0.047 20 0 "[ . 1 . 2]"
1 94 SER 0.063 0.014 20 0 "[ . 1 . 2]"
1 95 LYS 0.002 0.002 17 0 "[ . 1 . 2]"
1 96 THR 0.011 0.005 16 0 "[ . 1 . 2]"
1 97 LEU 0.092 0.037 16 0 "[ . 1 . 2]"
1 98 VAL 0.065 0.037 16 0 "[ . 1 . 2]"
1 99 LEU 0.036 0.009 20 0 "[ . 1 . 2]"
1 100 GLN 0.054 0.027 16 0 "[ . 1 . 2]"
1 101 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 SER 0.047 0.031 16 0 "[ . 1 . 2]"
1 103 GLU 0.124 0.042 16 0 "[ . 1 . 2]"
1 104 GLY 0.065 0.042 16 0 "[ . 1 . 2]"
1 105 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 106 GLY 0.041 0.041 18 0 "[ . 1 . 2]"
1 107 PRO 0.041 0.041 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 PRO QD . . 2.890 1.980 1.842 2.164 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 PRO HG2 . . 4.610 4.075 3.984 4.192 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 88 THR MG . . 4.390 4.184 3.895 4.391 0.001 4 0 "[ . 1 . 2]" 1
4 1 7 GLY HA2 1 88 THR MG . . 5.160 4.913 4.570 5.151 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY HA3 1 88 THR MG . . 5.160 4.555 4.135 5.162 0.002 15 0 "[ . 1 . 2]" 1
6 1 8 PRO HA 1 9 VAL H . . 2.660 2.446 2.225 2.681 0.021 20 0 "[ . 1 . 2]" 1
7 1 8 PRO HA 1 9 VAL MG1 . . 4.050 3.972 3.831 4.048 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO HA 1 9 VAL MG2 . . 4.270 3.978 3.714 4.192 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO HB2 1 9 VAL H . . 3.610 2.528 1.987 3.131 . 0 0 "[ . 1 . 2]" 1
10 1 8 PRO HB2 1 9 VAL MG2 . . 4.150 3.046 2.817 3.314 . 0 0 "[ . 1 . 2]" 1
11 1 8 PRO HB2 1 39 VAL QG . . 3.940 3.416 3.086 3.647 . 0 0 "[ . 1 . 2]" 1
12 1 8 PRO HB3 1 9 VAL H . . 3.740 3.423 3.177 3.742 0.002 19 0 "[ . 1 . 2]" 1
13 1 8 PRO HB3 1 9 VAL MG2 . . 4.640 4.183 4.086 4.279 . 0 0 "[ . 1 . 2]" 1
14 1 8 PRO HB3 1 39 VAL MG1 . . 5.130 5.048 4.717 5.143 0.013 14 0 "[ . 1 . 2]" 1
15 1 8 PRO HB3 1 39 VAL QG . . 4.430 4.258 3.929 4.439 0.009 14 0 "[ . 1 . 2]" 1
16 1 8 PRO HB3 1 39 VAL MG2 . . 5.130 4.602 4.205 4.972 . 0 0 "[ . 1 . 2]" 1
17 1 8 PRO QD 1 39 VAL QG . . 3.560 2.642 2.035 3.413 . 0 0 "[ . 1 . 2]" 1
18 1 8 PRO QD 1 88 THR MG . . 5.350 4.591 4.360 4.830 . 0 0 "[ . 1 . 2]" 1
19 1 8 PRO HD2 1 39 VAL MG1 . . 5.870 3.223 2.868 3.692 . 0 0 "[ . 1 . 2]" 1
20 1 8 PRO HD2 1 39 VAL MG2 . . 5.870 2.997 2.076 4.462 . 0 0 "[ . 1 . 2]" 1
21 1 8 PRO HD3 1 39 VAL MG1 . . 5.870 4.604 4.318 4.974 . 0 0 "[ . 1 . 2]" 1
22 1 8 PRO HD3 1 39 VAL MG2 . . 5.870 4.220 3.527 5.326 . 0 0 "[ . 1 . 2]" 1
23 1 8 PRO HG2 1 9 VAL H . . 4.890 4.334 3.872 4.767 . 0 0 "[ . 1 . 2]" 1
24 1 8 PRO HG2 1 39 VAL MG1 . . 3.320 2.903 2.468 3.177 . 0 0 "[ . 1 . 2]" 1
25 1 8 PRO HG2 1 39 VAL QG . . 2.840 2.040 1.757 2.547 . 0 0 "[ . 1 . 2]" 1
26 1 8 PRO HG2 1 39 VAL MG2 . . 3.320 2.119 1.797 2.920 . 0 0 "[ . 1 . 2]" 1
27 1 8 PRO HG3 1 39 VAL MG1 . . 4.750 4.400 4.044 4.632 . 0 0 "[ . 1 . 2]" 1
28 1 8 PRO HG3 1 39 VAL QG . . 3.700 3.226 2.809 3.599 . 0 0 "[ . 1 . 2]" 1
29 1 8 PRO HG3 1 39 VAL MG2 . . 4.750 3.333 2.866 3.878 . 0 0 "[ . 1 . 2]" 1
30 1 9 VAL H 1 9 VAL HB . . 3.850 3.604 3.589 3.625 . 0 0 "[ . 1 . 2]" 1
31 1 9 VAL H 1 9 VAL MG1 . . 3.350 2.380 2.240 2.518 . 0 0 "[ . 1 . 2]" 1
32 1 9 VAL H 1 9 VAL MG2 . . 2.830 1.949 1.864 2.031 . 0 0 "[ . 1 . 2]" 1
33 1 9 VAL H 1 10 PRO HD3 . . 5.320 5.017 4.967 5.056 . 0 0 "[ . 1 . 2]" 1
34 1 9 VAL H 1 39 VAL QG . . 4.610 4.274 3.904 4.550 . 0 0 "[ . 1 . 2]" 1
35 1 9 VAL H 1 88 THR HB . . 4.710 4.316 4.014 4.617 . 0 0 "[ . 1 . 2]" 1
36 1 9 VAL H 1 88 THR MG . . 4.310 2.519 2.192 2.946 . 0 0 "[ . 1 . 2]" 1
37 1 9 VAL HA 1 9 VAL MG1 . . 3.280 2.264 2.174 2.345 . 0 0 "[ . 1 . 2]" 1
38 1 9 VAL HA 1 10 PRO HB3 . . 5.440 4.847 4.842 4.851 . 0 0 "[ . 1 . 2]" 1
39 1 9 VAL HA 1 10 PRO HD2 . . 3.370 2.400 2.371 2.420 . 0 0 "[ . 1 . 2]" 1
40 1 9 VAL HA 1 10 PRO HD3 . . 3.220 2.299 2.289 2.307 . 0 0 "[ . 1 . 2]" 1
41 1 9 VAL HA 1 10 PRO HG2 . . 4.650 4.512 4.489 4.530 . 0 0 "[ . 1 . 2]" 1
42 1 9 VAL HA 1 10 PRO HG3 . . 4.520 4.471 4.454 4.484 . 0 0 "[ . 1 . 2]" 1
43 1 9 VAL HA 1 39 VAL QG . . 4.160 3.846 3.518 4.158 . 0 0 "[ . 1 . 2]" 1
44 1 9 VAL HA 1 86 ASN HD21 . . 4.900 4.801 4.589 4.905 0.005 5 0 "[ . 1 . 2]" 1
45 1 9 VAL HA 1 86 ASN HD22 . . 3.890 3.243 3.080 3.375 . 0 0 "[ . 1 . 2]" 1
46 1 9 VAL HA 1 88 THR HB . . 4.030 2.400 2.222 2.629 . 0 0 "[ . 1 . 2]" 1
47 1 9 VAL HA 1 88 THR MG . . 4.350 2.487 2.214 2.750 . 0 0 "[ . 1 . 2]" 1
48 1 9 VAL HA 1 89 GLY H . . 4.470 3.614 3.293 3.938 . 0 0 "[ . 1 . 2]" 1
49 1 9 VAL HB 1 10 PRO HA . . 5.320 4.803 4.761 4.867 . 0 0 "[ . 1 . 2]" 1
50 1 9 VAL HB 1 10 PRO HD2 . . 3.390 2.016 1.994 2.040 . 0 0 "[ . 1 . 2]" 1
51 1 9 VAL HB 1 10 PRO HD3 . . 3.480 3.465 3.446 3.486 0.006 4 0 "[ . 1 . 2]" 1
52 1 9 VAL HB 1 10 PRO HG2 . . 4.960 3.734 3.704 3.776 . 0 0 "[ . 1 . 2]" 1
53 1 9 VAL HB 1 88 THR HB . . 5.500 4.503 4.288 4.714 . 0 0 "[ . 1 . 2]" 1
54 1 9 VAL HB 1 89 GLY H . . 5.080 4.827 4.632 5.059 . 0 0 "[ . 1 . 2]" 1
55 1 9 VAL HB 1 91 SER H . . 4.780 4.276 3.690 4.729 . 0 0 "[ . 1 . 2]" 1
56 1 9 VAL HB 1 91 SER HA . . 4.660 3.350 2.857 3.611 . 0 0 "[ . 1 . 2]" 1
57 1 9 VAL HB 1 91 SER QB . . 4.750 3.653 2.873 4.062 . 0 0 "[ . 1 . 2]" 1
58 1 9 VAL MG1 1 10 PRO HD2 . . 3.740 2.788 2.641 2.953 . 0 0 "[ . 1 . 2]" 1
59 1 9 VAL MG1 1 10 PRO HD3 . . 3.750 3.589 3.458 3.750 0.000 6 0 "[ . 1 . 2]" 1
60 1 9 VAL MG1 1 85 PHE HA . . 5.200 4.551 4.282 4.844 . 0 0 "[ . 1 . 2]" 1
61 1 9 VAL MG1 1 86 ASN H . . 5.200 4.427 4.154 4.680 . 0 0 "[ . 1 . 2]" 1
62 1 9 VAL MG1 1 86 ASN HD22 . . 4.910 4.829 4.654 4.913 0.003 16 0 "[ . 1 . 2]" 1
63 1 9 VAL MG1 1 88 THR H . . 5.300 5.110 4.846 5.299 . 0 0 "[ . 1 . 2]" 1
64 1 9 VAL MG1 1 88 THR HA . . 4.940 4.708 4.414 4.865 . 0 0 "[ . 1 . 2]" 1
65 1 9 VAL MG1 1 88 THR HB . . 3.580 2.844 2.475 3.049 . 0 0 "[ . 1 . 2]" 1
66 1 9 VAL MG1 1 89 GLY H . . 3.590 2.869 2.566 3.133 . 0 0 "[ . 1 . 2]" 1
67 1 9 VAL MG1 1 89 GLY HA2 . . 4.300 4.143 3.893 4.269 . 0 0 "[ . 1 . 2]" 1
68 1 9 VAL MG1 1 89 GLY HA3 . . 3.760 2.945 2.727 3.088 . 0 0 "[ . 1 . 2]" 1
69 1 9 VAL MG1 1 90 VAL H . . 3.170 2.198 1.924 2.351 . 0 0 "[ . 1 . 2]" 1
70 1 9 VAL MG1 1 90 VAL HA . . 4.670 3.613 3.270 3.890 . 0 0 "[ . 1 . 2]" 1
71 1 9 VAL MG1 1 91 SER H . . 4.580 4.303 3.858 4.583 0.003 14 0 "[ . 1 . 2]" 1
72 1 9 VAL MG1 1 91 SER HA . . 4.280 3.524 3.138 3.770 . 0 0 "[ . 1 . 2]" 1
73 1 9 VAL MG2 1 10 PRO HA . . 5.060 4.709 4.555 4.826 . 0 0 "[ . 1 . 2]" 1
74 1 9 VAL MG2 1 10 PRO HD2 . . 4.040 3.676 3.630 3.710 . 0 0 "[ . 1 . 2]" 1
75 1 9 VAL MG2 1 10 PRO HD3 . . 4.720 4.575 4.534 4.600 . 0 0 "[ . 1 . 2]" 1
76 1 9 VAL MG2 1 88 THR HB . . 5.490 4.878 4.683 5.055 . 0 0 "[ . 1 . 2]" 1
77 1 9 VAL MG2 1 90 VAL H . . 4.590 4.492 4.221 4.590 . 0 0 "[ . 1 . 2]" 1
78 1 9 VAL MG2 1 91 SER H . . 5.380 5.052 4.625 5.349 . 0 0 "[ . 1 . 2]" 1
79 1 9 VAL MG2 1 91 SER HA . . 3.450 3.168 2.605 3.457 0.007 14 0 "[ . 1 . 2]" 1
80 1 9 VAL MG2 1 91 SER QB . . 4.440 3.832 3.286 4.333 . 0 0 "[ . 1 . 2]" 1
81 1 9 VAL MG2 1 92 PRO HD2 . . 4.600 3.857 3.532 4.172 . 0 0 "[ . 1 . 2]" 1
82 1 9 VAL MG2 1 92 PRO QD . . 3.870 3.352 2.900 3.599 . 0 0 "[ . 1 . 2]" 1
83 1 9 VAL MG2 1 92 PRO HD3 . . 4.600 3.697 3.082 4.090 . 0 0 "[ . 1 . 2]" 1
84 1 10 PRO HA 1 11 ALA H . . 2.990 2.157 2.150 2.194 . 0 0 "[ . 1 . 2]" 1
85 1 10 PRO HA 1 11 ALA HA . . 4.410 4.390 4.345 4.419 0.009 14 0 "[ . 1 . 2]" 1
86 1 10 PRO HA 1 11 ALA MB . . 4.020 3.955 3.916 4.017 . 0 0 "[ . 1 . 2]" 1
87 1 10 PRO HA 1 39 VAL HB . . 3.460 2.510 2.001 2.910 . 0 0 "[ . 1 . 2]" 1
88 1 10 PRO HA 1 39 VAL MG1 . . 4.290 2.262 1.960 2.445 . 0 0 "[ . 1 . 2]" 1
89 1 10 PRO HA 1 39 VAL QG . . 3.070 2.243 1.955 2.418 . 0 0 "[ . 1 . 2]" 1
90 1 10 PRO HA 1 39 VAL MG2 . . 4.290 3.822 3.387 4.181 . 0 0 "[ . 1 . 2]" 1
91 1 10 PRO HA 1 41 ALA MB . . 4.850 4.067 3.702 4.428 . 0 0 "[ . 1 . 2]" 1
92 1 10 PRO HA 1 84 ALA MB . . 4.500 4.309 4.005 4.463 . 0 0 "[ . 1 . 2]" 1
93 1 10 PRO HA 1 86 ASN HD22 . . 4.900 3.583 3.378 3.818 . 0 0 "[ . 1 . 2]" 1
94 1 10 PRO HB2 1 11 ALA H . . 3.720 3.601 3.269 3.746 0.026 14 0 "[ . 1 . 2]" 1
95 1 10 PRO HB2 1 33 GLN HE21 . . 4.980 3.899 3.113 4.826 . 0 0 "[ . 1 . 2]" 1
96 1 10 PRO HB2 1 33 GLN QE . . 4.120 3.124 1.965 3.757 . 0 0 "[ . 1 . 2]" 1
97 1 10 PRO HB2 1 33 GLN HE22 . . 4.980 3.441 1.986 4.502 . 0 0 "[ . 1 . 2]" 1
98 1 10 PRO HB2 1 39 VAL QG . . 4.450 4.271 4.005 4.425 . 0 0 "[ . 1 . 2]" 1
99 1 10 PRO HB2 1 41 ALA H . . 5.420 5.008 4.412 5.425 0.005 15 0 "[ . 1 . 2]" 1
100 1 10 PRO HB2 1 41 ALA HA . . 4.480 3.500 3.081 3.817 . 0 0 "[ . 1 . 2]" 1
101 1 10 PRO HB2 1 41 ALA MB . . 3.860 2.314 1.950 2.768 . 0 0 "[ . 1 . 2]" 1
102 1 10 PRO HB2 1 84 ALA MB . . 3.630 2.118 1.848 2.337 . 0 0 "[ . 1 . 2]" 1
103 1 10 PRO HB2 1 85 PHE HA . . 5.500 5.153 4.757 5.429 . 0 0 "[ . 1 . 2]" 1
104 1 10 PRO HB2 1 86 ASN HD22 . . 5.050 4.578 4.351 4.800 . 0 0 "[ . 1 . 2]" 1
105 1 10 PRO HB2 1 91 SER QB . . 5.340 4.468 3.694 4.855 . 0 0 "[ . 1 . 2]" 1
106 1 10 PRO HB3 1 11 ALA H . . 4.130 4.048 3.828 4.149 0.019 14 0 "[ . 1 . 2]" 1
107 1 10 PRO HB3 1 33 GLN QE . . 4.600 3.884 3.210 4.453 . 0 0 "[ . 1 . 2]" 1
108 1 10 PRO HB3 1 39 VAL QG . . 3.890 3.273 3.038 3.541 . 0 0 "[ . 1 . 2]" 1
109 1 10 PRO HB3 1 40 PRO HA . . 5.500 5.094 4.513 5.454 . 0 0 "[ . 1 . 2]" 1
110 1 10 PRO HB3 1 41 ALA H . . 4.900 4.339 3.765 4.655 . 0 0 "[ . 1 . 2]" 1
111 1 10 PRO HB3 1 41 ALA HA . . 3.900 2.350 2.021 2.660 . 0 0 "[ . 1 . 2]" 1
112 1 10 PRO HB3 1 41 ALA MB . . 3.940 2.516 2.107 2.935 . 0 0 "[ . 1 . 2]" 1
113 1 10 PRO HB3 1 42 ASP H . . 4.750 4.110 3.762 4.535 . 0 0 "[ . 1 . 2]" 1
114 1 10 PRO HB3 1 84 ALA MB . . 3.500 3.309 3.045 3.474 . 0 0 "[ . 1 . 2]" 1
115 1 10 PRO HB3 1 86 ASN HB2 . . 5.500 5.047 4.765 5.364 . 0 0 "[ . 1 . 2]" 1
116 1 10 PRO HB3 1 86 ASN HD21 . . 4.470 2.576 2.288 3.107 . 0 0 "[ . 1 . 2]" 1
117 1 10 PRO HB3 1 86 ASN HD22 . . 4.770 3.004 2.766 3.247 . 0 0 "[ . 1 . 2]" 1
118 1 10 PRO HD2 1 39 VAL QG . . 4.780 4.622 4.319 4.783 0.003 19 0 "[ . 1 . 2]" 1
119 1 10 PRO HD2 1 84 ALA MB . . 4.480 4.048 3.785 4.305 . 0 0 "[ . 1 . 2]" 1
120 1 10 PRO HD2 1 85 PHE HA . . 4.600 3.356 3.194 3.476 . 0 0 "[ . 1 . 2]" 1
121 1 10 PRO HD2 1 85 PHE HB2 . . 5.500 5.464 5.293 5.548 0.048 20 0 "[ . 1 . 2]" 1
122 1 10 PRO HD2 1 86 ASN H . . 4.390 3.760 3.519 3.919 . 0 0 "[ . 1 . 2]" 1
123 1 10 PRO HD2 1 86 ASN HD22 . . 4.780 3.740 3.643 3.844 . 0 0 "[ . 1 . 2]" 1
124 1 10 PRO HD2 1 88 THR HB . . 5.110 3.822 3.595 4.011 . 0 0 "[ . 1 . 2]" 1
125 1 10 PRO HD2 1 90 VAL HA . . 4.900 3.749 3.565 4.028 . 0 0 "[ . 1 . 2]" 1
126 1 10 PRO HD2 1 91 SER H . . 4.890 4.118 3.495 4.594 . 0 0 "[ . 1 . 2]" 1
127 1 10 PRO HD2 1 91 SER QB . . 4.680 3.788 2.962 4.277 . 0 0 "[ . 1 . 2]" 1
128 1 10 PRO HD3 1 39 VAL QG . . 4.540 3.755 3.299 4.157 . 0 0 "[ . 1 . 2]" 1
129 1 10 PRO HD3 1 41 ALA HA . . 4.970 4.416 3.981 4.762 . 0 0 "[ . 1 . 2]" 1
130 1 10 PRO HD3 1 41 ALA MB . . 5.190 4.775 4.401 5.168 . 0 0 "[ . 1 . 2]" 1
131 1 10 PRO HD3 1 84 ALA MB . . 4.810 4.455 4.256 4.671 . 0 0 "[ . 1 . 2]" 1
132 1 10 PRO HD3 1 85 PHE HA . . 4.560 3.916 3.755 4.094 . 0 0 "[ . 1 . 2]" 1
133 1 10 PRO HD3 1 86 ASN H . . 4.230 3.465 3.150 3.765 . 0 0 "[ . 1 . 2]" 1
134 1 10 PRO HD3 1 86 ASN HD21 . . 4.050 2.961 2.855 3.055 . 0 0 "[ . 1 . 2]" 1
135 1 10 PRO HD3 1 86 ASN HD22 . . 3.930 2.018 1.897 2.146 . 0 0 "[ . 1 . 2]" 1
136 1 10 PRO HD3 1 88 THR HB . . 4.860 3.125 2.846 3.330 . 0 0 "[ . 1 . 2]" 1
137 1 10 PRO HD3 1 88 THR MG . . 4.340 4.173 3.969 4.333 . 0 0 "[ . 1 . 2]" 1
138 1 10 PRO HD3 1 89 GLY H . . 4.530 3.766 3.424 4.040 . 0 0 "[ . 1 . 2]" 1
139 1 10 PRO HG2 1 39 VAL QG . . 5.440 5.040 4.859 5.191 . 0 0 "[ . 1 . 2]" 1
140 1 10 PRO HG2 1 41 ALA HA . . 4.880 4.649 4.304 4.873 . 0 0 "[ . 1 . 2]" 1
141 1 10 PRO HG2 1 85 PHE H . . 4.630 3.658 3.324 3.994 . 0 0 "[ . 1 . 2]" 1
142 1 10 PRO HG2 1 85 PHE HA . . 4.330 3.155 2.896 3.393 . 0 0 "[ . 1 . 2]" 1
143 1 10 PRO HG2 1 86 ASN H . . 4.490 4.385 3.996 4.522 0.032 20 0 "[ . 1 . 2]" 1
144 1 10 PRO HG2 1 86 ASN HB3 . . 5.100 4.788 4.600 5.042 . 0 0 "[ . 1 . 2]" 1
145 1 10 PRO HG2 1 91 SER H . . 5.380 3.981 3.376 4.454 . 0 0 "[ . 1 . 2]" 1
146 1 10 PRO HG3 1 41 ALA HA . . 3.890 3.319 2.817 3.696 . 0 0 "[ . 1 . 2]" 1
147 1 10 PRO HG3 1 41 ALA MB . . 4.050 3.205 2.712 3.674 . 0 0 "[ . 1 . 2]" 1
148 1 10 PRO HG3 1 85 PHE H . . 4.660 3.278 2.936 3.579 . 0 0 "[ . 1 . 2]" 1
149 1 10 PRO HG3 1 85 PHE HA . . 4.340 2.911 2.527 3.168 . 0 0 "[ . 1 . 2]" 1
150 1 10 PRO HG3 1 86 ASN HB2 . . 5.500 4.518 4.414 4.701 . 0 0 "[ . 1 . 2]" 1
151 1 10 PRO HG3 1 86 ASN HB3 . . 4.390 3.020 2.828 3.275 . 0 0 "[ . 1 . 2]" 1
152 1 10 PRO HG3 1 86 ASN HD21 . . 4.480 3.216 2.920 3.537 . 0 0 "[ . 1 . 2]" 1
153 1 10 PRO HG3 1 86 ASN HD22 . . 5.370 3.490 3.325 3.749 . 0 0 "[ . 1 . 2]" 1
154 1 10 PRO HG3 1 91 SER QB . . 5.340 4.594 3.831 5.181 . 0 0 "[ . 1 . 2]" 1
155 1 11 ALA H 1 11 ALA MB . . 2.900 2.110 2.042 2.247 . 0 0 "[ . 1 . 2]" 1
156 1 11 ALA H 1 33 GLN QE . . 4.000 3.635 3.087 3.981 . 0 0 "[ . 1 . 2]" 1
157 1 11 ALA H 1 34 PRO HD2 . . 5.340 5.274 4.935 5.353 0.013 20 0 "[ . 1 . 2]" 1
158 1 11 ALA H 1 39 VAL HB . . 3.940 2.536 1.898 2.913 . 0 0 "[ . 1 . 2]" 1
159 1 11 ALA H 1 39 VAL MG1 . . 4.380 3.550 2.595 4.086 . 0 0 "[ . 1 . 2]" 1
160 1 11 ALA H 1 39 VAL QG . . 3.730 3.165 2.463 3.610 . 0 0 "[ . 1 . 2]" 1
161 1 11 ALA H 1 39 VAL MG2 . . 4.380 3.605 3.024 4.180 . 0 0 "[ . 1 . 2]" 1
162 1 11 ALA H 1 84 ALA MB . . 4.790 4.669 4.434 4.788 . 0 0 "[ . 1 . 2]" 1
163 1 11 ALA HA 1 12 THR H . . 2.780 2.168 2.146 2.247 . 0 0 "[ . 1 . 2]" 1
164 1 11 ALA HA 1 12 THR HB . . 4.900 4.657 4.530 4.726 . 0 0 "[ . 1 . 2]" 1
165 1 11 ALA MB 1 12 THR H . . 3.180 3.070 2.840 3.188 0.008 16 0 "[ . 1 . 2]" 1
166 1 11 ALA MB 1 12 THR HB . . 4.730 4.577 4.443 4.678 . 0 0 "[ . 1 . 2]" 1
167 1 11 ALA MB 1 13 PRO HD3 . . 5.500 5.443 5.275 5.522 0.022 17 0 "[ . 1 . 2]" 1
168 1 11 ALA MB 1 33 GLN HA . . 5.500 4.500 4.122 4.822 . 0 0 "[ . 1 . 2]" 1
169 1 11 ALA MB 1 33 GLN QE . . 3.870 3.300 2.530 3.716 . 0 0 "[ . 1 . 2]" 1
170 1 11 ALA MB 1 34 PRO HB2 . . 4.210 4.051 3.774 4.230 0.020 16 0 "[ . 1 . 2]" 1
171 1 11 ALA MB 1 34 PRO HB3 . . 4.440 4.297 4.050 4.444 0.004 7 0 "[ . 1 . 2]" 1
172 1 11 ALA MB 1 34 PRO HD2 . . 3.310 2.701 2.336 3.058 . 0 0 "[ . 1 . 2]" 1
173 1 11 ALA MB 1 34 PRO HD3 . . 3.660 3.367 2.968 3.663 0.003 17 0 "[ . 1 . 2]" 1
174 1 11 ALA MB 1 34 PRO HG2 . . 3.630 2.331 1.951 2.560 . 0 0 "[ . 1 . 2]" 1
175 1 11 ALA MB 1 34 PRO QG . . 2.980 2.060 1.812 2.202 . 0 0 "[ . 1 . 2]" 1
176 1 11 ALA MB 1 34 PRO HG3 . . 3.630 2.328 2.054 2.588 . 0 0 "[ . 1 . 2]" 1
177 1 11 ALA MB 1 37 SER H . . 4.930 4.469 3.943 4.924 . 0 0 "[ . 1 . 2]" 1
178 1 11 ALA MB 1 37 SER HA . . 4.570 3.546 2.404 4.164 . 0 0 "[ . 1 . 2]" 1
179 1 11 ALA MB 1 37 SER HB2 . . 3.790 2.409 1.902 3.169 . 0 0 "[ . 1 . 2]" 1
180 1 11 ALA MB 1 37 SER QB . . 3.090 2.136 1.782 2.945 . 0 0 "[ . 1 . 2]" 1
181 1 11 ALA MB 1 37 SER HB3 . . 3.790 2.584 1.980 3.497 . 0 0 "[ . 1 . 2]" 1
182 1 11 ALA MB 1 39 VAL QG . . 5.440 3.587 2.722 4.148 . 0 0 "[ . 1 . 2]" 1
183 1 11 ALA MB 1 91 SER HG . . 5.500 5.019 4.533 5.503 0.003 2 0 "[ . 1 . 2]" 1
184 1 12 THR H 1 12 THR HB . . 3.030 2.552 2.485 2.642 . 0 0 "[ . 1 . 2]" 1
185 1 12 THR H 1 12 THR MG . . 4.000 3.766 3.761 3.773 . 0 0 "[ . 1 . 2]" 1
186 1 12 THR H 1 13 PRO HD2 . . 5.000 4.771 4.749 4.813 . 0 0 "[ . 1 . 2]" 1
187 1 12 THR H 1 13 PRO HD3 . . 4.880 4.841 4.797 4.906 0.026 13 0 "[ . 1 . 2]" 1
188 1 12 THR H 1 91 SER HG . . 4.360 3.618 2.927 4.364 0.004 17 0 "[ . 1 . 2]" 1
189 1 12 THR HA 1 12 THR MG . . 3.500 2.476 2.422 2.528 . 0 0 "[ . 1 . 2]" 1
190 1 12 THR HA 1 13 PRO HD2 . . 3.360 2.149 2.101 2.181 . 0 0 "[ . 1 . 2]" 1
191 1 12 THR HA 1 13 PRO HD3 . . 3.350 2.256 2.254 2.262 . 0 0 "[ . 1 . 2]" 1
192 1 12 THR HA 1 13 PRO HG2 . . 4.530 4.312 4.274 4.338 . 0 0 "[ . 1 . 2]" 1
193 1 12 THR HA 1 84 ALA MB . . 3.900 3.103 2.747 3.397 . 0 0 "[ . 1 . 2]" 1
194 1 12 THR HB 1 13 PRO HD2 . . 4.390 4.012 3.934 4.114 . 0 0 "[ . 1 . 2]" 1
195 1 12 THR HB 1 13 PRO HD3 . . 5.260 4.924 4.879 4.983 . 0 0 "[ . 1 . 2]" 1
196 1 12 THR HG1 1 13 PRO HD2 . . 4.400 3.403 3.244 3.576 . 0 0 "[ . 1 . 2]" 1
197 1 12 THR HG1 1 83 LYS HB2 . . 4.480 4.352 4.113 4.482 0.002 13 0 "[ . 1 . 2]" 1
198 1 12 THR HG1 1 83 LYS HB3 . . 5.080 4.880 4.562 5.085 0.005 9 0 "[ . 1 . 2]" 1
199 1 12 THR HG1 1 84 ALA H . . 4.190 4.125 3.948 4.197 0.007 14 0 "[ . 1 . 2]" 1
200 1 12 THR HG1 1 91 SER H . . 5.500 5.423 5.264 5.499 . 0 0 "[ . 1 . 2]" 1
201 1 12 THR HG1 1 91 SER HA . . 4.600 4.319 4.034 4.493 . 0 0 "[ . 1 . 2]" 1
202 1 12 THR HG1 1 91 SER QB . . 3.760 2.213 1.990 2.751 . 0 0 "[ . 1 . 2]" 1
203 1 12 THR MG 1 13 PRO HB2 . . 5.120 4.298 4.240 4.375 . 0 0 "[ . 1 . 2]" 1
204 1 12 THR MG 1 13 PRO QB . . 4.440 3.938 3.886 4.013 . 0 0 "[ . 1 . 2]" 1
205 1 12 THR MG 1 13 PRO HB3 . . 5.120 4.572 4.513 4.666 . 0 0 "[ . 1 . 2]" 1
206 1 12 THR MG 1 13 PRO HD2 . . 3.520 1.878 1.817 1.936 . 0 0 "[ . 1 . 2]" 1
207 1 12 THR MG 1 13 PRO HD3 . . 3.830 3.222 3.151 3.351 . 0 0 "[ . 1 . 2]" 1
208 1 12 THR MG 1 13 PRO HG2 . . 3.820 3.010 2.940 3.149 . 0 0 "[ . 1 . 2]" 1
209 1 12 THR MG 1 14 ILE H . . 5.500 4.794 4.518 4.938 . 0 0 "[ . 1 . 2]" 1
210 1 12 THR MG 1 84 ALA H . . 5.500 3.963 3.570 4.216 . 0 0 "[ . 1 . 2]" 1
211 1 12 THR MG 1 91 SER QB . . 4.350 3.653 3.202 4.294 . 0 0 "[ . 1 . 2]" 1
212 1 12 THR MG 1 92 PRO HB2 . . 4.480 4.358 4.219 4.483 0.003 14 0 "[ . 1 . 2]" 1
213 1 12 THR MG 1 92 PRO HG2 . . 4.540 3.522 3.193 3.735 . 0 0 "[ . 1 . 2]" 1
214 1 12 THR MG 1 92 PRO HG3 . . 5.240 5.011 4.678 5.233 . 0 0 "[ . 1 . 2]" 1
215 1 12 THR MG 1 93 TYR H . . 4.970 4.840 4.612 4.970 0.000 17 0 "[ . 1 . 2]" 1
216 1 12 THR MG 1 94 SER H . . 4.050 3.355 2.842 3.828 . 0 0 "[ . 1 . 2]" 1
217 1 12 THR MG 1 94 SER HA . . 2.810 2.476 1.932 2.769 . 0 0 "[ . 1 . 2]" 1
218 1 12 THR MG 1 94 SER HB2 . . 4.230 3.295 2.313 4.215 . 0 0 "[ . 1 . 2]" 1
219 1 12 THR MG 1 94 SER QB . . 3.650 2.457 2.007 3.335 . 0 0 "[ . 1 . 2]" 1
220 1 12 THR MG 1 94 SER HB3 . . 4.230 2.842 2.035 3.783 . 0 0 "[ . 1 . 2]" 1
221 1 12 THR MG 1 95 LYS H . . 4.420 4.268 3.804 4.422 0.002 17 0 "[ . 1 . 2]" 1
222 1 13 PRO HA 1 14 ILE H . . 3.080 2.286 2.171 2.536 . 0 0 "[ . 1 . 2]" 1
223 1 13 PRO HA 1 14 ILE HB . . 5.230 4.855 4.617 5.127 . 0 0 "[ . 1 . 2]" 1
224 1 13 PRO HA 1 14 ILE MD . . 4.450 3.598 2.628 4.458 0.008 11 0 "[ . 1 . 2]" 1
225 1 13 PRO HA 1 14 ILE QG . . 4.580 3.559 3.208 3.866 . 0 0 "[ . 1 . 2]" 1
226 1 13 PRO QB 1 31 TRP HB2 . . 4.310 2.122 1.969 2.428 . 0 0 "[ . 1 . 2]" 1
227 1 13 PRO QB 1 31 TRP HB3 . . 4.760 3.425 3.104 3.779 . 0 0 "[ . 1 . 2]" 1
228 1 13 PRO QB 1 34 PRO HD3 . . 5.340 4.700 4.229 5.210 . 0 0 "[ . 1 . 2]" 1
229 1 13 PRO QB 1 44 TYR QD . . 4.060 2.899 2.387 3.466 . 0 0 "[ . 1 . 2]" 1
230 1 13 PRO QB 1 82 VAL MG1 . . 3.630 2.391 2.067 2.819 . 0 0 "[ . 1 . 2]" 1
231 1 13 PRO QB 1 82 VAL MG2 . . 4.270 3.380 2.663 3.816 . 0 0 "[ . 1 . 2]" 1
232 1 13 PRO QB 1 94 SER QB . . 5.180 4.459 4.257 5.081 . 0 0 "[ . 1 . 2]" 1
233 1 13 PRO HB2 1 14 ILE H . . 3.900 2.969 2.291 3.393 . 0 0 "[ . 1 . 2]" 1
234 1 13 PRO HB2 1 44 TYR QD . . 4.780 4.086 3.693 4.649 . 0 0 "[ . 1 . 2]" 1
235 1 13 PRO HB2 1 84 ALA MB . . 5.500 5.005 4.732 5.237 . 0 0 "[ . 1 . 2]" 1
236 1 13 PRO HB3 1 14 ILE H . . 3.900 3.655 3.300 3.908 0.008 8 0 "[ . 1 . 2]" 1
237 1 13 PRO HB3 1 44 TYR QD . . 4.780 2.970 2.416 3.592 . 0 0 "[ . 1 . 2]" 1
238 1 13 PRO HB3 1 84 ALA MB . . 5.500 3.698 3.410 3.948 . 0 0 "[ . 1 . 2]" 1
239 1 13 PRO HD2 1 82 VAL MG1 . . 4.820 3.873 3.620 4.324 . 0 0 "[ . 1 . 2]" 1
240 1 13 PRO HD2 1 84 ALA H . . 4.710 3.020 2.751 3.283 . 0 0 "[ . 1 . 2]" 1
241 1 13 PRO HD2 1 84 ALA MB . . 4.770 3.574 3.289 3.813 . 0 0 "[ . 1 . 2]" 1
242 1 13 PRO HD2 1 94 SER H . . 5.200 4.647 4.168 5.185 . 0 0 "[ . 1 . 2]" 1
243 1 13 PRO HD3 1 84 ALA MB . . 4.190 2.190 1.993 2.404 . 0 0 "[ . 1 . 2]" 1
244 1 13 PRO HG2 1 44 TYR QD . . 4.520 4.251 4.010 4.521 0.001 20 0 "[ . 1 . 2]" 1
245 1 13 PRO HG2 1 82 VAL MG1 . . 3.850 1.982 1.837 2.452 . 0 0 "[ . 1 . 2]" 1
246 1 13 PRO HG2 1 82 VAL MG2 . . 4.320 3.193 2.479 3.696 . 0 0 "[ . 1 . 2]" 1
247 1 13 PRO HG2 1 83 LYS HA . . 4.110 2.760 2.481 3.293 . 0 0 "[ . 1 . 2]" 1
248 1 13 PRO HG2 1 84 ALA H . . 5.500 4.509 4.124 4.887 . 0 0 "[ . 1 . 2]" 1
249 1 13 PRO HG2 1 94 SER H . . 5.500 4.495 4.144 4.825 . 0 0 "[ . 1 . 2]" 1
250 1 13 PRO HG2 1 94 SER HA . . 5.500 5.438 5.169 5.505 0.005 5 0 "[ . 1 . 2]" 1
251 1 13 PRO HG2 1 94 SER QB . . 4.370 3.403 3.071 4.298 . 0 0 "[ . 1 . 2]" 1
252 1 13 PRO HG3 1 44 TYR QD . . 4.110 2.564 2.311 2.842 . 0 0 "[ . 1 . 2]" 1
253 1 13 PRO HG3 1 82 VAL MG1 . . 4.320 2.632 2.261 3.146 . 0 0 "[ . 1 . 2]" 1
254 1 13 PRO HG3 1 82 VAL MG2 . . 4.860 2.637 1.974 3.027 . 0 0 "[ . 1 . 2]" 1
255 1 13 PRO HG3 1 83 LYS HA . . 4.110 2.689 2.411 3.096 . 0 0 "[ . 1 . 2]" 1
256 1 13 PRO HG3 1 84 ALA H . . 4.640 3.680 3.305 4.088 . 0 0 "[ . 1 . 2]" 1
257 1 13 PRO HG3 1 84 ALA MB . . 3.590 3.399 3.165 3.592 0.002 1 0 "[ . 1 . 2]" 1
258 1 14 ILE H 1 14 ILE HB . . 3.280 2.678 2.469 2.974 . 0 0 "[ . 1 . 2]" 1
259 1 14 ILE H 1 14 ILE MD . . 3.830 2.778 1.856 3.549 . 0 0 "[ . 1 . 2]" 1
260 1 14 ILE H 1 14 ILE HG12 . . 4.260 3.371 1.927 4.145 . 0 0 "[ . 1 . 2]" 1
261 1 14 ILE H 1 14 ILE QG . . 3.520 2.445 1.918 2.881 . 0 0 "[ . 1 . 2]" 1
262 1 14 ILE H 1 14 ILE HG13 . . 4.260 2.946 2.289 3.945 . 0 0 "[ . 1 . 2]" 1
263 1 14 ILE H 1 31 TRP HA . . 4.950 4.530 4.078 4.950 0.000 9 0 "[ . 1 . 2]" 1
264 1 14 ILE H 1 31 TRP HB2 . . 4.860 3.580 2.803 4.022 . 0 0 "[ . 1 . 2]" 1
265 1 14 ILE H 1 31 TRP HB3 . . 5.500 5.107 4.376 5.505 0.005 19 0 "[ . 1 . 2]" 1
266 1 14 ILE H 1 32 LYS H . . 4.040 2.717 2.131 3.644 . 0 0 "[ . 1 . 2]" 1
267 1 14 ILE H 1 32 LYS HG2 . . 4.920 4.417 3.124 4.945 0.025 7 0 "[ . 1 . 2]" 1
268 1 14 ILE H 1 32 LYS QG . . 4.320 3.310 2.689 3.824 . 0 0 "[ . 1 . 2]" 1
269 1 14 ILE H 1 32 LYS HG3 . . 4.920 3.495 2.769 4.122 . 0 0 "[ . 1 . 2]" 1
270 1 14 ILE H 1 34 PRO HD2 . . 5.460 5.087 4.483 5.464 0.004 13 0 "[ . 1 . 2]" 1
271 1 14 ILE H 1 34 PRO HD3 . . 4.500 3.684 3.165 4.091 . 0 0 "[ . 1 . 2]" 1
272 1 14 ILE HA 1 14 ILE MD . . 3.840 3.256 2.031 3.917 0.077 8 0 "[ . 1 . 2]" 1
273 1 14 ILE HA 1 14 ILE HG12 . . 3.860 3.218 2.788 3.683 . 0 0 "[ . 1 . 2]" 1
274 1 14 ILE HA 1 14 ILE HG13 . . 3.860 3.002 2.500 3.896 0.036 5 0 "[ . 1 . 2]" 1
275 1 14 ILE HA 1 14 ILE MG . . 3.180 2.272 2.049 2.467 . 0 0 "[ . 1 . 2]" 1
276 1 14 ILE HA 1 15 LEU H . . 3.010 2.167 2.139 2.242 . 0 0 "[ . 1 . 2]" 1
277 1 14 ILE HA 1 15 LEU QB . . 4.770 4.154 4.010 4.615 . 0 0 "[ . 1 . 2]" 1
278 1 14 ILE HB 1 14 ILE MD . . 3.370 2.505 2.080 3.222 . 0 0 "[ . 1 . 2]" 1
279 1 14 ILE HB 1 32 LYS H . . 4.690 3.393 2.600 4.677 . 0 0 "[ . 1 . 2]" 1
280 1 14 ILE HB 1 32 LYS QE . . 4.560 3.368 2.539 4.189 . 0 0 "[ . 1 . 2]" 1
281 1 14 ILE HB 1 32 LYS QG . . 3.730 2.433 1.984 3.174 . 0 0 "[ . 1 . 2]" 1
282 1 14 ILE MD 1 32 LYS QE . . 3.760 2.828 1.798 3.769 0.009 5 0 "[ . 1 . 2]" 1
283 1 14 ILE MD 1 33 GLN QG . . 5.340 5.014 4.141 5.344 0.004 6 0 "[ . 1 . 2]" 1
284 1 14 ILE MD 1 34 PRO HA . . 3.110 2.316 1.848 2.900 . 0 0 "[ . 1 . 2]" 1
285 1 14 ILE MD 1 34 PRO HB2 . . 3.810 3.580 3.322 3.816 0.006 17 0 "[ . 1 . 2]" 1
286 1 14 ILE MD 1 34 PRO HB3 . . 3.470 2.213 1.941 2.563 . 0 0 "[ . 1 . 2]" 1
287 1 14 ILE MD 1 34 PRO HD2 . . 4.730 3.741 3.238 4.147 . 0 0 "[ . 1 . 2]" 1
288 1 14 ILE MD 1 34 PRO HD3 . . 4.200 2.417 1.926 2.947 . 0 0 "[ . 1 . 2]" 1
289 1 14 ILE MD 1 34 PRO QG . . 3.640 3.264 2.881 3.639 . 0 0 "[ . 1 . 2]" 1
290 1 14 ILE MD 1 35 PRO HD2 . . 3.850 3.547 2.969 3.860 0.010 7 0 "[ . 1 . 2]" 1
291 1 14 ILE QG 1 14 ILE MG . . 2.770 2.095 1.952 2.365 . 0 0 "[ . 1 . 2]" 1
292 1 14 ILE QG 1 15 LEU H . . 5.340 4.498 4.108 4.944 . 0 0 "[ . 1 . 2]" 1
293 1 14 ILE QG 1 34 PRO HA . . 4.550 3.550 2.577 4.160 . 0 0 "[ . 1 . 2]" 1
294 1 14 ILE QG 1 34 PRO HB3 . . 4.150 3.256 2.820 3.693 . 0 0 "[ . 1 . 2]" 1
295 1 14 ILE QG 1 34 PRO HD2 . . 4.750 4.561 4.231 4.795 0.045 7 0 "[ . 1 . 2]" 1
296 1 14 ILE QG 1 34 PRO HD3 . . 4.750 3.039 2.590 3.434 . 0 0 "[ . 1 . 2]" 1
297 1 14 ILE QG 1 35 PRO HD2 . . 5.340 4.739 4.060 5.347 0.007 14 0 "[ . 1 . 2]" 1
298 1 14 ILE HG12 1 14 ILE MG . . 3.210 2.403 2.000 3.201 . 0 0 "[ . 1 . 2]" 1
299 1 14 ILE HG12 1 34 PRO HB3 . . 4.860 3.747 3.099 4.170 . 0 0 "[ . 1 . 2]" 1
300 1 14 ILE HG13 1 14 ILE MG . . 3.210 2.757 2.219 3.136 . 0 0 "[ . 1 . 2]" 1
301 1 14 ILE HG13 1 34 PRO HB3 . . 4.860 3.604 3.244 4.128 . 0 0 "[ . 1 . 2]" 1
302 1 14 ILE MG 1 15 LEU H . . 3.230 2.913 2.572 3.251 0.021 14 0 "[ . 1 . 2]" 1
303 1 14 ILE MG 1 16 GLN HG2 . . 4.120 2.764 1.895 3.961 . 0 0 "[ . 1 . 2]" 1
304 1 14 ILE MG 1 16 GLN QG . . 3.500 2.469 1.761 3.441 . 0 0 "[ . 1 . 2]" 1
305 1 14 ILE MG 1 16 GLN HG3 . . 4.120 3.099 1.845 4.134 0.014 7 0 "[ . 1 . 2]" 1
306 1 14 ILE MG 1 32 LYS QE . . 4.260 3.481 2.464 4.293 0.033 7 0 "[ . 1 . 2]" 1
307 1 14 ILE MG 1 32 LYS QG . . 4.500 3.504 2.900 4.512 0.012 16 0 "[ . 1 . 2]" 1
308 1 15 LEU H 1 15 LEU HG . . 4.610 3.692 1.933 4.643 0.033 13 0 "[ . 1 . 2]" 1
309 1 15 LEU H 1 94 SER HB2 . . 4.820 3.392 2.886 4.085 . 0 0 "[ . 1 . 2]" 1
310 1 15 LEU H 1 94 SER QB . . 4.110 3.139 2.745 3.839 . 0 0 "[ . 1 . 2]" 1
311 1 15 LEU H 1 94 SER HB3 . . 4.820 3.830 2.973 4.661 . 0 0 "[ . 1 . 2]" 1
312 1 15 LEU QB 1 94 SER HB2 . . 4.640 3.327 2.027 4.424 . 0 0 "[ . 1 . 2]" 1
313 1 15 LEU QB 1 94 SER QB . . 4.040 3.035 1.990 3.793 . 0 0 "[ . 1 . 2]" 1
314 1 15 LEU QB 1 94 SER HB3 . . 4.640 3.780 2.314 4.644 0.004 7 0 "[ . 1 . 2]" 1
315 1 15 LEU QB 1 97 LEU HB2 . . 4.250 3.524 2.755 4.206 . 0 0 "[ . 1 . 2]" 1
316 1 15 LEU QB 1 97 LEU HB3 . . 4.950 4.479 3.594 4.958 0.008 10 0 "[ . 1 . 2]" 1
317 1 15 LEU QD 1 80 ALA H . . 5.440 4.774 4.241 5.443 0.003 10 0 "[ . 1 . 2]" 1
318 1 15 LEU QD 1 81 ARG HA . . 3.470 2.531 1.843 3.343 . 0 0 "[ . 1 . 2]" 1
319 1 15 LEU QD 1 82 VAL H . . 3.630 2.569 1.851 3.121 . 0 0 "[ . 1 . 2]" 1
320 1 15 LEU QD 1 82 VAL HA . . 5.440 4.556 3.849 5.445 0.005 14 0 "[ . 1 . 2]" 1
321 1 15 LEU QD 1 82 VAL HB . . 4.960 3.208 2.110 4.547 . 0 0 "[ . 1 . 2]" 1
322 1 15 LEU QD 1 94 SER QB . . 4.040 2.743 1.899 3.661 . 0 0 "[ . 1 . 2]" 1
323 1 15 LEU QD 1 97 LEU H . . 4.180 3.302 2.553 4.142 . 0 0 "[ . 1 . 2]" 1
324 1 15 LEU QD 1 97 LEU HB2 . . 3.310 2.088 1.801 2.689 . 0 0 "[ . 1 . 2]" 1
325 1 15 LEU QD 1 97 LEU HB3 . . 3.520 2.475 2.006 3.067 . 0 0 "[ . 1 . 2]" 1
326 1 15 LEU MD1 1 97 LEU H . . 5.390 3.972 2.571 5.385 . 0 0 "[ . 1 . 2]" 1
327 1 15 LEU MD1 1 97 LEU HB2 . . 4.030 2.379 1.811 3.649 . 0 0 "[ . 1 . 2]" 1
328 1 15 LEU MD1 1 97 LEU HB3 . . 4.360 2.896 2.009 4.030 . 0 0 "[ . 1 . 2]" 1
329 1 15 LEU MD2 1 97 LEU H . . 5.390 4.234 2.733 5.171 . 0 0 "[ . 1 . 2]" 1
330 1 15 LEU MD2 1 97 LEU HB2 . . 4.030 2.910 1.938 3.825 . 0 0 "[ . 1 . 2]" 1
331 1 15 LEU MD2 1 97 LEU HB3 . . 4.360 3.118 2.052 4.331 . 0 0 "[ . 1 . 2]" 1
332 1 15 LEU HG 1 82 VAL MG1 . . 4.930 3.536 2.158 4.930 0.000 20 0 "[ . 1 . 2]" 1
333 1 15 LEU HG 1 94 SER QB . . 4.590 3.834 2.285 4.595 0.005 20 0 "[ . 1 . 2]" 1
334 1 16 GLN H 1 16 GLN HG2 . . 4.690 3.425 2.550 4.306 . 0 0 "[ . 1 . 2]" 1
335 1 16 GLN H 1 16 GLN QG . . 4.110 2.933 1.870 3.589 . 0 0 "[ . 1 . 2]" 1
336 1 16 GLN H 1 16 GLN HG3 . . 4.690 3.500 1.923 4.502 . 0 0 "[ . 1 . 2]" 1
337 1 16 GLN QB 1 17 LEU H . . 4.400 3.717 2.603 3.909 . 0 0 "[ . 1 . 2]" 1
338 1 16 GLN QB 1 31 TRP HA . . 4.930 3.701 2.688 4.945 0.015 7 0 "[ . 1 . 2]" 1
339 1 16 GLN QG 1 17 LEU H . . 4.870 4.509 3.901 4.821 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLN QG 1 31 TRP HA . . 4.750 3.862 2.517 4.647 . 0 0 "[ . 1 . 2]" 1
341 1 16 GLN HG2 1 31 TRP HA . . 5.500 4.719 3.381 5.501 0.001 20 0 "[ . 1 . 2]" 1
342 1 16 GLN HG3 1 31 TRP HA . . 5.500 4.294 2.596 5.431 . 0 0 "[ . 1 . 2]" 1
343 1 17 LEU H 1 17 LEU QB . . 3.670 2.223 2.100 2.464 . 0 0 "[ . 1 . 2]" 1
344 1 17 LEU H 1 17 LEU MD1 . . 5.080 4.114 3.390 4.296 . 0 0 "[ . 1 . 2]" 1
345 1 17 LEU H 1 17 LEU QD . . 4.000 3.453 2.690 3.854 . 0 0 "[ . 1 . 2]" 1
346 1 17 LEU H 1 17 LEU MD2 . . 5.080 3.810 2.739 4.558 . 0 0 "[ . 1 . 2]" 1
347 1 17 LEU H 1 97 LEU MD1 . . 4.600 3.732 2.522 4.360 . 0 0 "[ . 1 . 2]" 1
348 1 17 LEU H 1 97 LEU QD . . 3.980 3.365 2.328 3.891 . 0 0 "[ . 1 . 2]" 1
349 1 17 LEU H 1 97 LEU MD2 . . 4.600 3.911 2.736 4.605 0.005 5 0 "[ . 1 . 2]" 1
350 1 17 LEU QB 1 97 LEU QD . . 3.160 2.332 1.763 3.075 . 0 0 "[ . 1 . 2]" 1
351 1 17 LEU HB2 1 97 LEU MD1 . . 5.510 2.963 1.983 5.190 . 0 0 "[ . 1 . 2]" 1
352 1 17 LEU HB2 1 97 LEU MD2 . . 5.510 2.835 1.840 4.382 . 0 0 "[ . 1 . 2]" 1
353 1 17 LEU HB3 1 97 LEU MD1 . . 5.510 3.548 2.513 4.606 . 0 0 "[ . 1 . 2]" 1
354 1 17 LEU HB3 1 97 LEU MD2 . . 5.510 3.878 2.962 4.993 . 0 0 "[ . 1 . 2]" 1
355 1 17 LEU QD 1 18 GLU H . . 3.940 2.480 1.920 3.436 . 0 0 "[ . 1 . 2]" 1
356 1 17 LEU QD 1 19 GLU H . . 3.940 2.559 1.873 3.869 . 0 0 "[ . 1 . 2]" 1
357 1 17 LEU QD 1 27 ALA HA . . 4.950 3.852 2.854 4.786 . 0 0 "[ . 1 . 2]" 1
358 1 17 LEU QD 1 28 THR H . . 3.980 3.498 2.863 3.981 0.001 8 0 "[ . 1 . 2]" 1
359 1 17 LEU QD 1 29 LEU HA . . 3.840 3.027 1.971 3.843 0.003 15 0 "[ . 1 . 2]" 1
360 1 17 LEU MD1 1 19 GLU H . . 4.830 3.179 1.890 4.831 0.001 9 0 "[ . 1 . 2]" 1
361 1 17 LEU MD1 1 28 THR H . . 5.000 3.937 2.935 4.538 . 0 0 "[ . 1 . 2]" 1
362 1 17 LEU MD1 1 29 LEU HA . . 4.560 3.919 1.973 4.533 . 0 0 "[ . 1 . 2]" 1
363 1 17 LEU MD2 1 19 GLU H . . 4.830 3.693 2.006 4.749 . 0 0 "[ . 1 . 2]" 1
364 1 17 LEU MD2 1 28 THR H . . 5.000 4.080 3.246 4.819 . 0 0 "[ . 1 . 2]" 1
365 1 17 LEU MD2 1 29 LEU HA . . 4.560 3.669 2.296 4.589 0.029 11 0 "[ . 1 . 2]" 1
366 1 18 GLU H 1 19 GLU H . . 4.190 2.285 1.966 2.604 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLU H 1 28 THR HB . . 5.020 4.458 3.559 5.001 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLU H 1 29 LEU HA . . 4.450 3.895 2.723 4.448 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLU QB 1 19 GLU H . . 3.900 2.456 1.986 3.573 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLU QB 1 28 THR HB . . 4.750 4.238 3.529 4.753 0.003 5 0 "[ . 1 . 2]" 1
371 1 18 GLU QB 1 28 THR MG . . 4.880 3.809 3.222 4.525 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLU HB2 1 19 GLU H . . 4.440 3.242 2.411 3.920 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLU HB3 1 19 GLU H . . 4.440 2.820 1.998 4.118 . 0 0 "[ . 1 . 2]" 1
374 1 19 GLU H 1 19 GLU HB2 . . 4.190 2.468 2.191 3.049 . 0 0 "[ . 1 . 2]" 1
375 1 19 GLU H 1 19 GLU QB . . 3.640 2.291 2.135 2.783 . 0 0 "[ . 1 . 2]" 1
376 1 19 GLU H 1 19 GLU HB3 . . 4.190 2.972 2.414 3.662 . 0 0 "[ . 1 . 2]" 1
377 1 19 GLU H 1 19 GLU QG . . 4.010 3.609 2.496 4.044 0.034 4 0 "[ . 1 . 2]" 1
378 1 19 GLU H 1 28 THR H . . 4.550 4.404 3.661 4.559 0.009 20 0 "[ . 1 . 2]" 1
379 1 19 GLU H 1 28 THR HB . . 4.430 3.152 2.351 3.710 . 0 0 "[ . 1 . 2]" 1
380 1 19 GLU H 1 28 THR MG . . 4.780 3.962 3.354 4.640 . 0 0 "[ . 1 . 2]" 1
381 1 19 GLU HA 1 19 GLU QG . . 3.460 2.560 2.187 3.103 . 0 0 "[ . 1 . 2]" 1
382 1 19 GLU HA 1 28 THR H . . 5.500 5.190 3.691 5.501 0.001 12 0 "[ . 1 . 2]" 1
383 1 19 GLU HA 1 28 THR HB . . 4.960 4.341 2.897 4.944 . 0 0 "[ . 1 . 2]" 1
384 1 19 GLU QB 1 28 THR HB . . 3.930 2.380 1.798 3.868 . 0 0 "[ . 1 . 2]" 1
385 1 19 GLU QG 1 28 THR H . . 4.520 3.130 2.219 4.275 . 0 0 "[ . 1 . 2]" 1
386 1 19 GLU QG 1 28 THR HB . . 4.000 3.220 1.932 4.003 0.003 15 0 "[ . 1 . 2]" 1
387 1 22 THR H 1 22 THR MG . . 4.560 3.051 1.883 3.973 . 0 0 "[ . 1 . 2]" 1
388 1 24 ASN H 1 25 ASN HA . . 5.500 5.058 4.612 5.508 0.008 19 0 "[ . 1 . 2]" 1
389 1 24 ASN QB 1 24 ASN HD22 . . 3.730 3.273 3.213 3.412 . 0 0 "[ . 1 . 2]" 1
390 1 24 ASN QB 1 25 ASN H . . 3.520 2.510 1.934 3.302 . 0 0 "[ . 1 . 2]" 1
391 1 24 ASN QB 1 26 SER H . . 4.390 3.310 2.421 4.393 0.003 20 0 "[ . 1 . 2]" 1
392 1 25 ASN H 1 26 SER H . . 3.660 3.065 1.939 3.647 . 0 0 "[ . 1 . 2]" 1
393 1 25 ASN H 1 26 SER QB . . 5.300 4.284 3.591 4.927 . 0 0 "[ . 1 . 2]" 1
394 1 25 ASN HA 1 25 ASN QD . . 4.470 3.957 2.435 4.375 . 0 0 "[ . 1 . 2]" 1
395 1 25 ASN HA 1 26 SER H . . 3.500 2.803 2.362 3.503 0.003 7 0 "[ . 1 . 2]" 1
396 1 25 ASN HA 1 72 LEU H . . 5.500 4.604 3.468 5.177 . 0 0 "[ . 1 . 2]" 1
397 1 25 ASN HA 1 72 LEU HB2 . . 4.410 3.540 1.999 4.273 . 0 0 "[ . 1 . 2]" 1
398 1 25 ASN QB 1 72 LEU H . . 3.820 2.797 1.887 3.802 . 0 0 "[ . 1 . 2]" 1
399 1 25 ASN QB 1 72 LEU HB2 . . 4.300 2.983 2.112 4.300 . 7 0 "[ . 1 . 2]" 1
400 1 25 ASN QD 1 71 GLY QA . . 4.650 3.341 2.013 4.465 . 0 0 "[ . 1 . 2]" 1
401 1 25 ASN QD 1 72 LEU H . . 4.220 3.235 1.793 4.195 . 0 0 "[ . 1 . 2]" 1
402 1 26 SER H 1 26 SER QB . . 3.650 2.850 2.444 3.225 . 0 0 "[ . 1 . 2]" 1
403 1 26 SER H 1 27 ALA H . . 4.570 4.358 4.123 4.573 0.003 7 0 "[ . 1 . 2]" 1
404 1 26 SER H 1 27 ALA MB . . 5.500 4.969 4.486 5.391 . 0 0 "[ . 1 . 2]" 1
405 1 26 SER H 1 72 LEU HB2 . . 5.500 4.764 3.916 5.424 . 0 0 "[ . 1 . 2]" 1
406 1 26 SER HA 1 27 ALA H . . 3.090 2.222 2.139 2.365 . 0 0 "[ . 1 . 2]" 1
407 1 26 SER HA 1 27 ALA MB . . 4.410 3.875 3.771 3.996 . 0 0 "[ . 1 . 2]" 1
408 1 26 SER HA 1 69 VAL H . . 4.970 4.451 3.832 4.940 . 0 0 "[ . 1 . 2]" 1
409 1 26 SER HA 1 69 VAL MG1 . . 5.280 3.392 2.520 4.781 . 0 0 "[ . 1 . 2]" 1
410 1 26 SER HA 1 69 VAL QG . . 4.530 3.291 2.505 4.384 . 0 0 "[ . 1 . 2]" 1
411 1 26 SER HA 1 69 VAL MG2 . . 5.280 4.742 4.269 5.167 . 0 0 "[ . 1 . 2]" 1
412 1 26 SER HA 1 70 ASP HA . . 3.370 3.324 3.153 3.381 0.011 16 0 "[ . 1 . 2]" 1
413 1 26 SER HA 1 70 ASP QB . . 4.990 4.933 4.702 4.994 0.004 13 0 "[ . 1 . 2]" 1
414 1 26 SER HA 1 71 GLY H . . 4.500 4.279 3.979 4.419 . 0 0 "[ . 1 . 2]" 1
415 1 26 SER HA 1 72 LEU H . . 4.840 4.514 3.831 4.818 . 0 0 "[ . 1 . 2]" 1
416 1 26 SER HA 1 72 LEU MD1 . . 4.050 2.363 2.002 2.740 . 0 0 "[ . 1 . 2]" 1
417 1 26 SER HA 1 72 LEU HG . . 4.630 3.449 2.762 3.969 . 0 0 "[ . 1 . 2]" 1
418 1 26 SER QB 1 27 ALA H . . 3.430 3.030 2.497 3.436 0.006 4 0 "[ . 1 . 2]" 1
419 1 26 SER QB 1 27 ALA MB . . 4.870 4.610 4.303 4.834 . 0 0 "[ . 1 . 2]" 1
420 1 26 SER QB 1 68 THR MG . . 3.260 2.736 2.011 3.265 0.005 20 0 "[ . 1 . 2]" 1
421 1 26 SER QB 1 70 ASP HA . . 3.980 3.195 2.632 3.584 . 0 0 "[ . 1 . 2]" 1
422 1 26 SER QB 1 70 ASP QB . . 4.080 3.861 3.461 4.080 0.000 8 0 "[ . 1 . 2]" 1
423 1 26 SER QB 1 71 GLY H . . 5.500 4.384 3.808 4.979 . 0 0 "[ . 1 . 2]" 1
424 1 27 ALA H 1 27 ALA MB . . 3.610 2.370 2.205 2.599 . 0 0 "[ . 1 . 2]" 1
425 1 27 ALA H 1 28 THR H . . 4.790 4.211 4.003 4.412 . 0 0 "[ . 1 . 2]" 1
426 1 27 ALA H 1 29 LEU MD2 . . 5.500 4.865 4.620 5.292 . 0 0 "[ . 1 . 2]" 1
427 1 27 ALA H 1 68 THR HA . . 5.030 4.525 4.255 4.886 . 0 0 "[ . 1 . 2]" 1
428 1 27 ALA H 1 69 VAL H . . 3.690 2.933 2.661 3.290 . 0 0 "[ . 1 . 2]" 1
429 1 27 ALA H 1 69 VAL HB . . 5.150 4.498 2.897 5.147 . 0 0 "[ . 1 . 2]" 1
430 1 27 ALA H 1 69 VAL MG1 . . 4.770 2.492 1.829 4.575 . 0 0 "[ . 1 . 2]" 1
431 1 27 ALA H 1 69 VAL QG . . 3.760 2.341 1.827 3.678 . 0 0 "[ . 1 . 2]" 1
432 1 27 ALA H 1 69 VAL MG2 . . 4.770 4.411 3.485 4.773 0.003 4 0 "[ . 1 . 2]" 1
433 1 27 ALA H 1 72 LEU MD1 . . 4.200 2.345 1.856 2.958 . 0 0 "[ . 1 . 2]" 1
434 1 27 ALA H 1 72 LEU HG . . 4.990 4.168 3.538 4.791 . 0 0 "[ . 1 . 2]" 1
435 1 27 ALA HA 1 28 THR H . . 3.010 2.155 2.141 2.201 . 0 0 "[ . 1 . 2]" 1
436 1 27 ALA MB 1 28 THR H . . 3.500 3.326 3.150 3.503 0.003 16 0 "[ . 1 . 2]" 1
437 1 27 ALA MB 1 29 LEU MD2 . . 3.350 2.578 2.462 2.738 . 0 0 "[ . 1 . 2]" 1
438 1 27 ALA MB 1 69 VAL H . . 4.920 3.696 3.189 4.180 . 0 0 "[ . 1 . 2]" 1
439 1 27 ALA MB 1 69 VAL HB . . 5.380 4.397 3.374 5.241 . 0 0 "[ . 1 . 2]" 1
440 1 27 ALA MB 1 69 VAL QG . . 3.570 2.508 1.953 3.248 . 0 0 "[ . 1 . 2]" 1
441 1 27 ALA MB 1 72 LEU MD1 . . 3.180 2.171 1.838 2.706 . 0 0 "[ . 1 . 2]" 1
442 1 27 ALA MB 1 72 LEU MD2 . . 4.400 3.768 3.400 4.353 . 0 0 "[ . 1 . 2]" 1
443 1 27 ALA MB 1 99 LEU HB2 . . 4.380 4.236 3.788 4.389 0.009 20 0 "[ . 1 . 2]" 1
444 1 27 ALA MB 1 99 LEU HB3 . . 4.280 3.581 2.886 4.281 0.001 15 0 "[ . 1 . 2]" 1
445 1 28 THR H 1 28 THR HB . . 3.490 2.609 2.513 2.768 . 0 0 "[ . 1 . 2]" 1
446 1 28 THR H 1 28 THR MG . . 4.120 3.810 3.778 3.867 . 0 0 "[ . 1 . 2]" 1
447 1 28 THR H 1 29 LEU H . . 4.540 4.450 4.310 4.552 0.012 4 0 "[ . 1 . 2]" 1
448 1 28 THR H 1 29 LEU MD2 . . 4.590 3.809 3.510 4.011 . 0 0 "[ . 1 . 2]" 1
449 1 28 THR HA 1 28 THR MG . . 3.320 2.288 2.172 2.453 . 0 0 "[ . 1 . 2]" 1
450 1 28 THR HA 1 29 LEU H . . 3.060 2.150 2.141 2.190 . 0 0 "[ . 1 . 2]" 1
451 1 28 THR HA 1 29 LEU MD2 . . 4.420 3.308 2.781 3.668 . 0 0 "[ . 1 . 2]" 1
452 1 28 THR HA 1 67 CYS H . . 5.160 4.821 4.161 5.057 . 0 0 "[ . 1 . 2]" 1
453 1 28 THR HA 1 68 THR HB . . 5.500 3.502 2.000 5.114 . 0 0 "[ . 1 . 2]" 1
454 1 28 THR HA 1 69 VAL H . . 4.370 3.901 3.620 4.194 . 0 0 "[ . 1 . 2]" 1
455 1 28 THR HB 1 29 LEU H . . 4.710 4.164 4.005 4.289 . 0 0 "[ . 1 . 2]" 1
456 1 28 THR HB 1 66 MET ME . . 5.060 4.363 3.570 5.063 0.003 13 0 "[ . 1 . 2]" 1
457 1 28 THR MG 1 29 LEU H . . 3.460 2.530 2.088 2.855 . 0 0 "[ . 1 . 2]" 1
458 1 28 THR MG 1 30 SER QB . . 4.850 3.472 3.129 3.972 . 0 0 "[ . 1 . 2]" 1
459 1 28 THR MG 1 66 MET QB . . 4.940 4.198 3.636 4.653 . 0 0 "[ . 1 . 2]" 1
460 1 28 THR MG 1 66 MET ME . . 3.170 2.175 1.760 2.850 . 0 0 "[ . 1 . 2]" 1
461 1 28 THR MG 1 66 MET QG . . 3.050 2.534 1.957 3.095 0.045 10 0 "[ . 1 . 2]" 1
462 1 28 THR MG 1 67 CYS H . . 4.070 3.812 3.238 4.066 . 0 0 "[ . 1 . 2]" 1
463 1 29 LEU H 1 29 LEU QB . . 3.550 2.523 2.281 3.144 . 0 0 "[ . 1 . 2]" 1
464 1 29 LEU H 1 29 LEU MD2 . . 3.670 2.660 2.138 3.029 . 0 0 "[ . 1 . 2]" 1
465 1 29 LEU H 1 29 LEU HG . . 4.490 3.645 1.927 4.429 . 0 0 "[ . 1 . 2]" 1
466 1 29 LEU H 1 31 TRP HZ3 . . 5.040 4.115 3.286 4.789 . 0 0 "[ . 1 . 2]" 1
467 1 29 LEU H 1 66 MET HA . . 4.980 4.668 4.499 4.923 . 0 0 "[ . 1 . 2]" 1
468 1 29 LEU H 1 67 CYS H . . 3.610 3.221 2.951 3.503 . 0 0 "[ . 1 . 2]" 1
469 1 29 LEU H 1 68 THR HA . . 4.320 3.121 2.787 3.912 . 0 0 "[ . 1 . 2]" 1
470 1 29 LEU H 1 69 VAL H . . 5.140 4.942 4.660 5.151 0.011 11 0 "[ . 1 . 2]" 1
471 1 29 LEU HA 1 29 LEU MD1 . . 4.310 2.839 2.016 4.138 . 0 0 "[ . 1 . 2]" 1
472 1 29 LEU HA 1 29 LEU MD2 . . 3.530 2.445 1.946 3.292 . 0 0 "[ . 1 . 2]" 1
473 1 29 LEU HA 1 29 LEU HG . . 3.860 3.673 3.506 3.707 . 0 0 "[ . 1 . 2]" 1
474 1 29 LEU HA 1 31 TRP HE3 . . 4.820 4.269 4.064 4.398 . 0 0 "[ . 1 . 2]" 1
475 1 29 LEU QB 1 29 LEU MD2 . . 3.070 2.343 2.038 2.476 . 0 0 "[ . 1 . 2]" 1
476 1 29 LEU QB 1 31 TRP HE3 . . 3.660 2.073 1.985 2.238 . 0 0 "[ . 1 . 2]" 1
477 1 29 LEU QB 1 46 LEU MD1 . . 3.880 3.088 2.441 3.974 0.094 9 0 "[ . 1 . 2]" 1
478 1 29 LEU QB 1 46 LEU MD2 . . 4.330 3.189 2.648 3.950 . 0 0 "[ . 1 . 2]" 1
479 1 29 LEU QB 1 66 MET HA . . 5.120 4.401 3.638 5.045 . 0 0 "[ . 1 . 2]" 1
480 1 29 LEU QB 1 67 CYS H . . 5.210 3.503 2.638 4.734 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU HB2 1 29 LEU MD2 . . 3.550 2.699 2.396 3.147 . 0 0 "[ . 1 . 2]" 1
482 1 29 LEU HB2 1 31 TRP HE3 . . 4.390 3.197 2.002 3.864 . 0 0 "[ . 1 . 2]" 1
483 1 29 LEU HB2 1 31 TRP HZ3 . . 4.220 2.742 2.245 3.081 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU HB2 1 46 LEU MD2 . . 4.960 3.673 3.149 4.184 . 0 0 "[ . 1 . 2]" 1
485 1 29 LEU HB3 1 29 LEU MD2 . . 3.550 2.881 2.065 3.182 . 0 0 "[ . 1 . 2]" 1
486 1 29 LEU HB3 1 31 TRP HE3 . . 4.390 2.531 1.995 3.870 . 0 0 "[ . 1 . 2]" 1
487 1 29 LEU HB3 1 31 TRP HZ3 . . 4.220 2.926 2.103 4.268 0.048 13 0 "[ . 1 . 2]" 1
488 1 29 LEU HB3 1 46 LEU MD2 . . 4.960 3.591 2.848 4.850 . 0 0 "[ . 1 . 2]" 1
489 1 29 LEU MD1 1 31 TRP HA . . 5.500 4.846 4.292 5.511 0.011 11 0 "[ . 1 . 2]" 1
490 1 29 LEU MD1 1 31 TRP HB3 . . 3.890 3.755 3.370 3.920 0.030 13 0 "[ . 1 . 2]" 1
491 1 29 LEU MD1 1 31 TRP HE3 . . 3.240 2.758 2.074 3.242 0.002 14 0 "[ . 1 . 2]" 1
492 1 29 LEU MD1 1 31 TRP HZ3 . . 4.610 3.521 1.996 4.446 . 0 0 "[ . 1 . 2]" 1
493 1 29 LEU MD1 1 46 LEU MD2 . . 3.310 2.578 1.683 3.278 . 0 0 "[ . 1 . 2]" 1
494 1 29 LEU MD1 1 81 ARG H . . 5.300 4.935 4.387 5.303 0.003 14 0 "[ . 1 . 2]" 1
495 1 29 LEU MD1 1 81 ARG HA . . 5.060 4.820 4.416 5.064 0.004 13 0 "[ . 1 . 2]" 1
496 1 29 LEU MD1 1 82 VAL H . . 4.950 4.597 3.936 4.952 0.002 13 0 "[ . 1 . 2]" 1
497 1 29 LEU MD1 1 82 VAL HA . . 5.500 5.225 4.437 5.508 0.008 14 0 "[ . 1 . 2]" 1
498 1 29 LEU MD1 1 82 VAL HB . . 4.230 3.330 2.890 3.588 . 0 0 "[ . 1 . 2]" 1
499 1 29 LEU MD1 1 82 VAL MG1 . . 4.350 3.471 3.007 3.861 . 0 0 "[ . 1 . 2]" 1
500 1 29 LEU MD1 1 82 VAL MG2 . . 4.560 4.028 3.261 4.417 . 0 0 "[ . 1 . 2]" 1
501 1 29 LEU MD1 1 97 LEU HB2 . . 5.290 4.865 4.439 5.293 0.003 11 0 "[ . 1 . 2]" 1
502 1 29 LEU MD1 1 97 LEU HB3 . . 4.670 4.361 3.967 4.682 0.012 10 0 "[ . 1 . 2]" 1
503 1 29 LEU MD2 1 68 THR HA . . 4.850 3.841 3.310 4.638 . 0 0 "[ . 1 . 2]" 1
504 1 29 LEU HG 1 31 TRP HZ3 . . 4.880 3.440 1.977 4.437 . 0 0 "[ . 1 . 2]" 1
505 1 29 LEU HG 1 46 LEU MD2 . . 3.920 2.963 2.216 3.931 0.011 11 0 "[ . 1 . 2]" 1
506 1 30 SER H 1 31 TRP HA . . 4.840 4.352 4.113 4.600 . 0 0 "[ . 1 . 2]" 1
507 1 30 SER H 1 31 TRP HE3 . . 4.600 3.951 3.613 4.253 . 0 0 "[ . 1 . 2]" 1
508 1 30 SER QB 1 66 MET HA . . 4.540 3.747 3.216 4.333 . 0 0 "[ . 1 . 2]" 1
509 1 30 SER QB 1 66 MET QB . . 3.850 3.153 2.172 3.760 . 0 0 "[ . 1 . 2]" 1
510 1 30 SER QB 1 66 MET ME . . 3.970 3.679 2.332 3.975 0.005 16 0 "[ . 1 . 2]" 1
511 1 30 SER QB 1 66 MET QG . . 3.440 2.807 2.292 3.398 . 0 0 "[ . 1 . 2]" 1
512 1 30 SER HB2 1 66 MET HB2 . . 5.500 3.533 2.209 4.189 . 0 0 "[ . 1 . 2]" 1
513 1 30 SER HB2 1 66 MET HB3 . . 5.500 5.125 3.537 5.510 0.010 18 0 "[ . 1 . 2]" 1
514 1 30 SER HB3 1 66 MET HB2 . . 5.500 3.861 2.713 4.666 . 0 0 "[ . 1 . 2]" 1
515 1 30 SER HB3 1 66 MET HB3 . . 5.500 5.203 4.109 5.529 0.029 10 0 "[ . 1 . 2]" 1
516 1 31 TRP HA 1 31 TRP HE3 . . 4.740 4.145 4.007 4.405 . 0 0 "[ . 1 . 2]" 1
517 1 31 TRP HA 1 32 LYS QB . . 5.340 4.138 4.013 4.296 . 0 0 "[ . 1 . 2]" 1
518 1 31 TRP HA 1 32 LYS QG . . 5.340 3.863 3.341 4.074 . 0 0 "[ . 1 . 2]" 1
519 1 31 TRP HB2 1 31 TRP HE3 . . 4.190 4.137 4.064 4.164 . 0 0 "[ . 1 . 2]" 1
520 1 31 TRP HB2 1 32 LYS H . . 4.370 2.476 1.948 3.425 . 0 0 "[ . 1 . 2]" 1
521 1 31 TRP HB2 1 82 VAL MG1 . . 4.560 2.647 2.215 3.057 . 0 0 "[ . 1 . 2]" 1
522 1 31 TRP HB3 1 31 TRP HE3 . . 3.750 2.619 2.506 2.673 . 0 0 "[ . 1 . 2]" 1
523 1 31 TRP HE3 1 46 LEU MD1 . . 4.340 3.766 3.248 4.262 . 0 0 "[ . 1 . 2]" 1
524 1 31 TRP HE3 1 46 LEU MD2 . . 4.260 3.324 2.894 3.740 . 0 0 "[ . 1 . 2]" 1
525 1 31 TRP HE3 1 82 VAL MG2 . . 4.460 3.313 2.831 3.878 . 0 0 "[ . 1 . 2]" 1
526 1 31 TRP HH2 1 46 LEU MD1 . . 3.760 2.431 1.965 3.049 . 0 0 "[ . 1 . 2]" 1
527 1 31 TRP HH2 1 60 TYR QD . . 4.150 3.485 2.752 4.107 . 0 0 "[ . 1 . 2]" 1
528 1 31 TRP HH2 1 60 TYR QE . . 4.330 2.895 2.210 3.963 . 0 0 "[ . 1 . 2]" 1
529 1 31 TRP HH2 1 67 CYS H . . 4.320 3.476 2.621 4.226 . 0 0 "[ . 1 . 2]" 1
530 1 31 TRP HH2 1 67 CYS HB2 . . 3.940 2.498 2.033 3.314 . 0 0 "[ . 1 . 2]" 1
531 1 31 TRP HH2 1 67 CYS QB . . 3.400 2.210 1.811 2.727 . 0 0 "[ . 1 . 2]" 1
532 1 31 TRP HH2 1 67 CYS HB3 . . 3.940 2.600 2.005 3.855 . 0 0 "[ . 1 . 2]" 1
533 1 31 TRP HZ2 1 44 TYR HB2 . . 4.220 2.736 2.084 3.445 . 0 0 "[ . 1 . 2]" 1
534 1 31 TRP HZ2 1 44 TYR HB3 . . 4.780 3.835 2.727 4.493 . 0 0 "[ . 1 . 2]" 1
535 1 31 TRP HZ2 1 46 LEU MD1 . . 4.890 4.169 3.487 4.637 . 0 0 "[ . 1 . 2]" 1
536 1 31 TRP HZ2 1 60 TYR QE . . 3.730 2.468 1.995 3.032 . 0 0 "[ . 1 . 2]" 1
537 1 31 TRP HZ2 1 65 THR HA . . 4.300 3.496 2.424 4.303 0.003 11 0 "[ . 1 . 2]" 1
538 1 31 TRP HZ2 1 66 MET H . . 5.030 4.306 3.368 5.033 0.003 19 0 "[ . 1 . 2]" 1
539 1 31 TRP HZ2 1 82 VAL MG2 . . 4.920 3.872 3.152 4.737 . 0 0 "[ . 1 . 2]" 1
540 1 31 TRP HZ3 1 46 LEU MD1 . . 3.430 2.077 1.925 2.628 . 0 0 "[ . 1 . 2]" 1
541 1 31 TRP HZ3 1 46 LEU MD2 . . 3.970 3.101 2.118 3.622 . 0 0 "[ . 1 . 2]" 1
542 1 31 TRP HZ3 1 67 CYS H . . 4.110 2.845 2.216 3.586 . 0 0 "[ . 1 . 2]" 1
543 1 31 TRP HZ3 1 67 CYS HB2 . . 4.530 3.839 2.749 4.537 0.007 9 0 "[ . 1 . 2]" 1
544 1 31 TRP HZ3 1 67 CYS HB3 . . 4.530 2.993 2.236 4.380 . 0 0 "[ . 1 . 2]" 1
545 1 32 LYS H 1 32 LYS HG2 . . 4.830 3.158 2.343 4.217 . 0 0 "[ . 1 . 2]" 1
546 1 32 LYS H 1 32 LYS QG . . 4.090 2.525 2.049 2.839 . 0 0 "[ . 1 . 2]" 1
547 1 32 LYS H 1 32 LYS HG3 . . 4.830 2.932 2.063 3.924 . 0 0 "[ . 1 . 2]" 1
548 1 32 LYS QB 1 33 GLN H . . 3.300 2.376 2.007 2.932 . 0 0 "[ . 1 . 2]" 1
549 1 32 LYS HB2 1 32 LYS QE . . 4.280 3.501 2.360 4.014 . 0 0 "[ . 1 . 2]" 1
550 1 32 LYS HB2 1 33 GLN H . . 4.170 2.403 2.018 2.997 . 0 0 "[ . 1 . 2]" 1
551 1 32 LYS HB3 1 32 LYS QE . . 4.280 3.989 3.304 4.327 0.047 16 0 "[ . 1 . 2]" 1
552 1 32 LYS HB3 1 33 GLN H . . 4.170 3.796 3.552 4.158 . 0 0 "[ . 1 . 2]" 1
553 1 32 LYS QD 1 33 GLN H . . 4.850 3.539 2.153 4.798 . 0 0 "[ . 1 . 2]" 1
554 1 32 LYS QE 1 32 LYS HG2 . . 3.450 2.537 2.051 3.230 . 0 0 "[ . 1 . 2]" 1
555 1 32 LYS QE 1 32 LYS HG3 . . 3.450 2.507 2.085 3.226 . 0 0 "[ . 1 . 2]" 1
556 1 32 LYS QE 1 34 PRO HA . . 4.920 3.571 2.496 4.418 . 0 0 "[ . 1 . 2]" 1
557 1 32 LYS QE 1 35 PRO HD2 . . 4.890 4.427 3.713 4.882 . 0 0 "[ . 1 . 2]" 1
558 1 32 LYS QG 1 33 GLN H . . 4.300 3.495 2.941 4.150 . 0 0 "[ . 1 . 2]" 1
559 1 32 LYS HG2 1 33 GLN H . . 4.910 4.566 4.122 4.909 . 0 0 "[ . 1 . 2]" 1
560 1 32 LYS HG3 1 33 GLN H . . 4.910 3.656 2.998 4.501 . 0 0 "[ . 1 . 2]" 1
561 1 33 GLN H 1 33 GLN QB . . 3.130 2.282 2.172 2.416 . 0 0 "[ . 1 . 2]" 1
562 1 33 GLN H 1 33 GLN HG2 . . 3.970 3.447 2.678 3.961 . 0 0 "[ . 1 . 2]" 1
563 1 33 GLN H 1 33 GLN HG3 . . 3.970 3.465 2.923 3.963 . 0 0 "[ . 1 . 2]" 1
564 1 33 GLN H 1 34 PRO HD2 . . 4.960 4.828 4.792 4.842 . 0 0 "[ . 1 . 2]" 1
565 1 33 GLN HA 1 33 GLN QE . . 4.700 3.849 2.955 4.372 . 0 0 "[ . 1 . 2]" 1
566 1 33 GLN HA 1 34 PRO HD2 . . 3.400 2.266 2.153 2.390 . 0 0 "[ . 1 . 2]" 1
567 1 33 GLN HA 1 34 PRO HD3 . . 3.300 2.263 2.252 2.295 . 0 0 "[ . 1 . 2]" 1
568 1 33 GLN QB 1 33 GLN QE . . 4.030 3.143 2.232 3.657 . 0 0 "[ . 1 . 2]" 1
569 1 33 GLN QB 1 33 GLN HE22 . . 4.690 3.865 3.351 4.277 . 0 0 "[ . 1 . 2]" 1
570 1 33 GLN QB 1 34 PRO HD2 . . 3.660 2.448 2.064 2.663 . 0 0 "[ . 1 . 2]" 1
571 1 33 GLN QE 1 41 ALA MB . . 4.650 2.471 1.854 3.341 . 0 0 "[ . 1 . 2]" 1
572 1 33 GLN QE 1 84 ALA MB . . 4.610 3.402 2.095 4.067 . 0 0 "[ . 1 . 2]" 1
573 1 33 GLN QG 1 41 ALA MB . . 4.110 3.514 3.100 3.907 . 0 0 "[ . 1 . 2]" 1
574 1 33 GLN QG 1 84 ALA MB . . 5.320 4.237 3.756 4.908 . 0 0 "[ . 1 . 2]" 1
575 1 33 GLN HG2 1 41 ALA MB . . 4.710 4.103 3.651 4.676 . 0 0 "[ . 1 . 2]" 1
576 1 33 GLN HG3 1 41 ALA MB . . 4.710 3.857 3.237 4.464 . 0 0 "[ . 1 . 2]" 1
577 1 34 PRO HA 1 35 PRO HD2 . . 3.020 2.164 1.994 2.441 . 0 0 "[ . 1 . 2]" 1
578 1 34 PRO HA 1 35 PRO QG . . 3.980 3.875 3.791 4.031 0.051 8 0 "[ . 1 . 2]" 1
579 1 34 PRO HB2 1 35 PRO HD2 . . 3.740 2.966 2.288 3.450 . 0 0 "[ . 1 . 2]" 1
580 1 34 PRO HB2 1 36 LEU H . . 3.830 2.495 2.206 3.082 . 0 0 "[ . 1 . 2]" 1
581 1 34 PRO HB2 1 37 SER H . . 3.980 3.461 2.837 3.983 0.003 2 0 "[ . 1 . 2]" 1
582 1 34 PRO HB2 1 37 SER QB . . 4.000 3.450 3.114 3.978 . 0 0 "[ . 1 . 2]" 1
583 1 34 PRO HB3 1 35 PRO HD2 . . 3.590 3.235 2.829 3.553 . 0 0 "[ . 1 . 2]" 1
584 1 34 PRO HD2 1 37 SER QB . . 4.350 3.256 2.201 4.018 . 0 0 "[ . 1 . 2]" 1
585 1 34 PRO QG 1 37 SER H . . 4.270 3.384 2.703 4.031 . 0 0 "[ . 1 . 2]" 1
586 1 34 PRO QG 1 37 SER QB . . 3.370 2.023 1.821 2.483 . 0 0 "[ . 1 . 2]" 1
587 1 35 PRO HA 1 36 LEU HA . . 4.840 4.637 4.522 4.841 0.001 10 0 "[ . 1 . 2]" 1
588 1 35 PRO HA 1 36 LEU QD . . 4.910 4.667 4.166 4.911 0.001 18 0 "[ . 1 . 2]" 1
589 1 35 PRO HA 1 36 LEU HG . . 5.500 5.262 4.827 5.488 . 0 0 "[ . 1 . 2]" 1
590 1 35 PRO HA 1 37 SER H . . 3.950 3.659 3.386 3.917 . 0 0 "[ . 1 . 2]" 1
591 1 35 PRO HB2 1 36 LEU H . . 4.350 3.674 2.973 3.974 . 0 0 "[ . 1 . 2]" 1
592 1 35 PRO HB2 1 36 LEU QD . . 4.340 3.638 3.020 4.382 0.042 16 0 "[ . 1 . 2]" 1
593 1 35 PRO HB2 1 36 LEU HG . . 4.320 4.045 3.485 4.318 . 0 0 "[ . 1 . 2]" 1
594 1 35 PRO HD2 1 36 LEU H . . 4.590 2.826 2.678 3.041 . 0 0 "[ . 1 . 2]" 1
595 1 35 PRO HD2 1 36 LEU QD . . 4.520 3.407 2.018 4.450 . 0 0 "[ . 1 . 2]" 1
596 1 35 PRO QG 1 36 LEU H . . 4.240 2.839 1.973 3.290 . 0 0 "[ . 1 . 2]" 1
597 1 35 PRO QG 1 36 LEU HA . . 4.890 4.373 4.053 4.620 . 0 0 "[ . 1 . 2]" 1
598 1 35 PRO QG 1 36 LEU QD . . 4.000 2.781 1.830 3.368 . 0 0 "[ . 1 . 2]" 1
599 1 36 LEU H 1 36 LEU HB2 . . 4.140 2.653 2.434 3.501 . 0 0 "[ . 1 . 2]" 1
600 1 36 LEU H 1 36 LEU HB3 . . 4.140 3.591 2.988 3.712 . 0 0 "[ . 1 . 2]" 1
601 1 36 LEU H 1 36 LEU MD1 . . 4.480 3.059 1.905 3.969 . 0 0 "[ . 1 . 2]" 1
602 1 36 LEU H 1 36 LEU QD . . 3.740 2.741 1.898 3.502 . 0 0 "[ . 1 . 2]" 1
603 1 36 LEU H 1 36 LEU MD2 . . 4.480 3.709 2.688 4.426 . 0 0 "[ . 1 . 2]" 1
604 1 36 LEU H 1 36 LEU HG . . 3.980 2.680 1.898 3.807 . 0 0 "[ . 1 . 2]" 1
605 1 36 LEU H 1 37 SER H . . 3.490 2.555 2.199 2.891 . 0 0 "[ . 1 . 2]" 1
606 1 36 LEU HA 1 36 LEU MD1 . . 4.120 3.712 3.282 4.027 . 0 0 "[ . 1 . 2]" 1
607 1 36 LEU HA 1 36 LEU QD . . 3.280 2.592 1.978 3.234 . 0 0 "[ . 1 . 2]" 1
608 1 36 LEU HA 1 36 LEU MD2 . . 4.120 2.821 1.984 4.113 . 0 0 "[ . 1 . 2]" 1
609 1 36 LEU HA 1 36 LEU HG . . 3.680 3.012 2.405 3.650 . 0 0 "[ . 1 . 2]" 1
610 1 36 LEU QB 1 36 LEU QD . . 2.590 1.873 1.750 1.944 . 0 0 "[ . 1 . 2]" 1
611 1 36 LEU HB2 1 37 SER H . . 4.500 3.734 2.919 4.149 . 0 0 "[ . 1 . 2]" 1
612 1 36 LEU HB3 1 37 SER H . . 4.500 4.355 4.051 4.551 0.051 8 0 "[ . 1 . 2]" 1
613 1 36 LEU QD 1 37 SER H . . 4.550 4.003 2.178 4.459 . 0 0 "[ . 1 . 2]" 1
614 1 37 SER H 1 37 SER HB2 . . 3.640 3.129 2.401 3.659 0.019 17 0 "[ . 1 . 2]" 1
615 1 37 SER H 1 37 SER QB . . 3.000 2.474 2.307 2.796 . 0 0 "[ . 1 . 2]" 1
616 1 37 SER H 1 37 SER HB3 . . 3.640 2.888 2.336 3.654 0.014 9 0 "[ . 1 . 2]" 1
617 1 37 SER QB 1 39 VAL H . . 4.510 3.306 2.495 4.201 . 0 0 "[ . 1 . 2]" 1
618 1 38 THR HA 1 38 THR MG . . 2.970 2.327 2.138 3.187 0.217 14 0 "[ . 1 . 2]" 1
619 1 38 THR MG 1 39 VAL H . . 4.800 4.117 3.529 4.377 . 0 0 "[ . 1 . 2]" 1
620 1 39 VAL H 1 39 VAL HB . . 3.370 2.676 2.435 2.865 . 0 0 "[ . 1 . 2]" 1
621 1 39 VAL H 1 39 VAL MG1 . . 4.200 3.849 3.755 3.915 . 0 0 "[ . 1 . 2]" 1
622 1 39 VAL H 1 39 VAL QG . . 3.140 2.429 1.947 2.689 . 0 0 "[ . 1 . 2]" 1
623 1 39 VAL H 1 39 VAL MG2 . . 4.200 2.457 1.953 2.744 . 0 0 "[ . 1 . 2]" 1
624 1 39 VAL H 1 40 PRO QD . . 4.590 4.159 3.916 4.333 . 0 0 "[ . 1 . 2]" 1
625 1 39 VAL HA 1 39 VAL MG1 . . 3.240 2.258 2.096 2.495 . 0 0 "[ . 1 . 2]" 1
626 1 39 VAL HA 1 39 VAL MG2 . . 3.240 2.454 2.250 2.552 . 0 0 "[ . 1 . 2]" 1
627 1 39 VAL HA 1 40 PRO HD2 . . 3.020 1.997 1.920 2.155 . 0 0 "[ . 1 . 2]" 1
628 1 39 VAL HA 1 40 PRO HD3 . . 3.020 2.319 2.253 2.428 . 0 0 "[ . 1 . 2]" 1
629 1 39 VAL QG 1 40 PRO QD . . 3.160 2.056 1.854 2.405 . 0 0 "[ . 1 . 2]" 1
630 1 39 VAL QG 1 40 PRO QG . . 5.000 3.286 2.919 3.661 . 0 0 "[ . 1 . 2]" 1
631 1 39 VAL QG 1 86 ASN HD21 . . 3.690 3.408 2.962 3.696 0.006 15 0 "[ . 1 . 2]" 1
632 1 39 VAL QG 1 86 ASN HD22 . . 3.590 2.776 2.265 3.370 . 0 0 "[ . 1 . 2]" 1
633 1 39 VAL MG1 1 40 PRO HD2 . . 4.480 2.086 1.878 2.464 . 0 0 "[ . 1 . 2]" 1
634 1 39 VAL MG1 1 40 PRO HD3 . . 4.480 3.489 3.240 3.808 . 0 0 "[ . 1 . 2]" 1
635 1 39 VAL MG2 1 40 PRO HD2 . . 4.480 3.765 3.327 4.072 . 0 0 "[ . 1 . 2]" 1
636 1 39 VAL MG2 1 40 PRO HD3 . . 4.480 4.374 4.045 4.526 0.046 12 0 "[ . 1 . 2]" 1
637 1 40 PRO HA 1 41 ALA H . . 2.650 2.224 2.157 2.352 . 0 0 "[ . 1 . 2]" 1
638 1 40 PRO HA 1 41 ALA HA . . 4.650 4.399 4.384 4.420 . 0 0 "[ . 1 . 2]" 1
639 1 40 PRO HA 1 41 ALA MB . . 4.000 3.922 3.831 3.989 . 0 0 "[ . 1 . 2]" 1
640 1 40 PRO QB 1 41 ALA H . . 3.320 3.013 2.648 3.286 . 0 0 "[ . 1 . 2]" 1
641 1 40 PRO HB2 1 41 ALA H . . 3.980 3.171 2.738 3.501 . 0 0 "[ . 1 . 2]" 1
642 1 40 PRO HB3 1 41 ALA H . . 3.980 3.771 3.519 3.979 . 0 0 "[ . 1 . 2]" 1
643 1 40 PRO QG 1 41 ALA H . . 5.030 4.491 4.249 4.648 . 0 0 "[ . 1 . 2]" 1
644 1 41 ALA H 1 41 ALA MB . . 3.020 2.365 2.241 2.488 . 0 0 "[ . 1 . 2]" 1
645 1 41 ALA H 1 42 ASP H . . 4.600 4.505 4.294 4.567 . 0 0 "[ . 1 . 2]" 1
646 1 41 ALA HA 1 42 ASP H . . 3.170 2.291 2.144 2.374 . 0 0 "[ . 1 . 2]" 1
647 1 41 ALA HA 1 42 ASP QB . . 4.850 4.081 3.952 4.227 . 0 0 "[ . 1 . 2]" 1
648 1 41 ALA HA 1 43 GLY H . . 4.330 4.114 3.837 4.336 0.006 14 0 "[ . 1 . 2]" 1
649 1 41 ALA HA 1 84 ALA MB . . 4.470 4.081 3.833 4.317 . 0 0 "[ . 1 . 2]" 1
650 1 41 ALA HA 1 86 ASN HB2 . . 4.510 4.020 3.658 4.396 . 0 0 "[ . 1 . 2]" 1
651 1 41 ALA HA 1 86 ASN HB3 . . 3.890 2.778 2.394 3.137 . 0 0 "[ . 1 . 2]" 1
652 1 41 ALA HA 1 86 ASN HD21 . . 4.360 2.351 2.027 2.817 . 0 0 "[ . 1 . 2]" 1
653 1 41 ALA HA 1 86 ASN HD22 . . 5.500 3.854 3.617 4.098 . 0 0 "[ . 1 . 2]" 1
654 1 41 ALA MB 1 42 ASP H . . 3.670 2.683 2.426 3.201 . 0 0 "[ . 1 . 2]" 1
655 1 41 ALA MB 1 42 ASP QB . . 4.880 4.346 4.162 4.530 . 0 0 "[ . 1 . 2]" 1
656 1 41 ALA MB 1 43 GLY H . . 3.490 3.079 2.644 3.500 0.010 15 0 "[ . 1 . 2]" 1
657 1 41 ALA MB 1 43 GLY HA2 . . 5.480 4.426 4.261 4.609 . 0 0 "[ . 1 . 2]" 1
658 1 41 ALA MB 1 44 TYR QE . . 4.110 3.063 2.514 3.525 . 0 0 "[ . 1 . 2]" 1
659 1 41 ALA MB 1 84 ALA HA . . 4.680 4.033 3.682 4.283 . 0 0 "[ . 1 . 2]" 1
660 1 41 ALA MB 1 84 ALA MB . . 2.990 2.431 2.108 2.861 . 0 0 "[ . 1 . 2]" 1
661 1 41 ALA MB 1 85 PHE H . . 3.850 3.561 3.119 3.829 . 0 0 "[ . 1 . 2]" 1
662 1 41 ALA MB 1 86 ASN HB3 . . 4.710 3.784 3.357 4.167 . 0 0 "[ . 1 . 2]" 1
663 1 42 ASP H 1 42 ASP HB2 . . 3.970 2.555 2.239 3.056 . 0 0 "[ . 1 . 2]" 1
664 1 42 ASP H 1 42 ASP QB . . 3.360 2.338 2.216 2.439 . 0 0 "[ . 1 . 2]" 1
665 1 42 ASP H 1 42 ASP HB3 . . 3.970 2.978 2.402 3.627 . 0 0 "[ . 1 . 2]" 1
666 1 42 ASP H 1 43 GLY H . . 2.980 2.175 1.993 2.688 . 0 0 "[ . 1 . 2]" 1
667 1 42 ASP H 1 43 GLY HA3 . . 5.290 4.787 4.603 5.261 . 0 0 "[ . 1 . 2]" 1
668 1 42 ASP H 1 85 PHE H . . 4.510 4.114 3.838 4.460 . 0 0 "[ . 1 . 2]" 1
669 1 42 ASP H 1 86 ASN HA . . 3.830 3.502 3.093 3.830 0.000 8 0 "[ . 1 . 2]" 1
670 1 42 ASP H 1 86 ASN HB2 . . 4.130 3.316 2.999 3.684 . 0 0 "[ . 1 . 2]" 1
671 1 42 ASP H 1 86 ASN HB3 . . 3.950 2.002 1.896 2.239 . 0 0 "[ . 1 . 2]" 1
672 1 42 ASP QB 1 43 GLY H . . 3.490 2.726 2.422 2.935 . 0 0 "[ . 1 . 2]" 1
673 1 42 ASP QB 1 85 PHE QD . . 4.580 4.342 3.948 4.587 0.007 13 0 "[ . 1 . 2]" 1
674 1 42 ASP QB 1 85 PHE QE . . 4.460 4.212 3.637 4.448 . 0 0 "[ . 1 . 2]" 1
675 1 42 ASP QB 1 86 ASN HB2 . . 4.780 2.490 2.103 3.121 . 0 0 "[ . 1 . 2]" 1
676 1 42 ASP HB2 1 43 GLY H . . 4.060 3.510 2.759 4.015 . 0 0 "[ . 1 . 2]" 1
677 1 42 ASP HB3 1 43 GLY H . . 4.060 3.023 2.451 3.663 . 0 0 "[ . 1 . 2]" 1
678 1 43 GLY H 1 44 TYR H . . 4.490 4.373 4.241 4.416 . 0 0 "[ . 1 . 2]" 1
679 1 43 GLY H 1 84 ALA HA . . 4.990 4.815 4.609 4.990 . 0 0 "[ . 1 . 2]" 1
680 1 43 GLY H 1 84 ALA MB . . 4.680 4.396 4.197 4.631 . 0 0 "[ . 1 . 2]" 1
681 1 43 GLY H 1 85 PHE H . . 3.770 3.204 3.060 3.406 . 0 0 "[ . 1 . 2]" 1
682 1 43 GLY H 1 85 PHE QE . . 4.810 4.576 4.346 4.766 . 0 0 "[ . 1 . 2]" 1
683 1 43 GLY H 1 86 ASN HA . . 4.250 3.986 3.627 4.192 . 0 0 "[ . 1 . 2]" 1
684 1 43 GLY H 1 86 ASN HB3 . . 4.850 3.630 3.404 3.803 . 0 0 "[ . 1 . 2]" 1
685 1 43 GLY HA2 1 44 TYR H . . 3.210 2.535 2.244 2.725 . 0 0 "[ . 1 . 2]" 1
686 1 43 GLY HA2 1 62 GLY H . . 5.240 4.770 4.399 5.196 . 0 0 "[ . 1 . 2]" 1
687 1 43 GLY HA2 1 63 LYS H . . 4.830 4.735 4.506 4.840 0.010 20 0 "[ . 1 . 2]" 1
688 1 43 GLY HA2 1 63 LYS HA . . 3.580 2.188 2.004 2.458 . 0 0 "[ . 1 . 2]" 1
689 1 43 GLY HA2 1 63 LYS HB2 . . 4.910 3.929 3.461 4.749 . 0 0 "[ . 1 . 2]" 1
690 1 43 GLY HA2 1 85 PHE QE . . 4.740 4.415 3.965 4.740 0.000 5 0 "[ . 1 . 2]" 1
691 1 43 GLY HA2 1 85 PHE HZ . . 5.500 5.154 4.754 5.465 . 0 0 "[ . 1 . 2]" 1
692 1 43 GLY HA3 1 44 TYR H . . 3.150 2.600 2.412 2.953 . 0 0 "[ . 1 . 2]" 1
693 1 43 GLY HA3 1 62 GLY H . . 4.920 4.369 3.967 4.661 . 0 0 "[ . 1 . 2]" 1
694 1 43 GLY HA3 1 63 LYS HA . . 3.990 3.473 3.149 3.821 . 0 0 "[ . 1 . 2]" 1
695 1 43 GLY HA3 1 85 PHE QE . . 3.980 3.073 2.623 3.422 . 0 0 "[ . 1 . 2]" 1
696 1 43 GLY HA3 1 85 PHE HZ . . 4.270 3.465 3.165 3.713 . 0 0 "[ . 1 . 2]" 1
697 1 44 TYR H 1 44 TYR HB2 . . 3.520 2.835 2.611 3.060 . 0 0 "[ . 1 . 2]" 1
698 1 44 TYR H 1 44 TYR HB3 . . 4.040 3.874 3.719 3.992 . 0 0 "[ . 1 . 2]" 1
699 1 44 TYR H 1 44 TYR QD . . 4.720 2.610 2.056 3.365 . 0 0 "[ . 1 . 2]" 1
700 1 44 TYR H 1 45 ILE H . . 4.760 4.336 4.124 4.537 . 0 0 "[ . 1 . 2]" 1
701 1 44 TYR H 1 60 TYR QE . . 4.800 4.228 3.868 4.732 . 0 0 "[ . 1 . 2]" 1
702 1 44 TYR H 1 61 VAL HA . . 5.230 4.399 3.731 4.790 . 0 0 "[ . 1 . 2]" 1
703 1 44 TYR H 1 61 VAL QG . . 4.970 4.019 3.374 4.587 . 0 0 "[ . 1 . 2]" 1
704 1 44 TYR H 1 62 GLY H . . 3.500 2.887 2.504 3.193 . 0 0 "[ . 1 . 2]" 1
705 1 44 TYR H 1 62 GLY HA2 . . 4.950 4.565 4.173 4.873 . 0 0 "[ . 1 . 2]" 1
706 1 44 TYR H 1 63 LYS H . . 5.060 4.854 4.693 5.063 0.003 19 0 "[ . 1 . 2]" 1
707 1 44 TYR H 1 63 LYS HA . . 4.010 3.318 2.925 3.998 . 0 0 "[ . 1 . 2]" 1
708 1 44 TYR H 1 84 ALA HA . . 5.500 4.984 4.705 5.243 . 0 0 "[ . 1 . 2]" 1
709 1 44 TYR H 1 85 PHE QD . . 5.190 4.078 3.437 4.635 . 0 0 "[ . 1 . 2]" 1
710 1 44 TYR H 1 85 PHE QE . . 3.670 3.146 2.756 3.675 0.005 14 0 "[ . 1 . 2]" 1
711 1 44 TYR HA 1 45 ILE H . . 3.080 2.227 2.140 2.418 . 0 0 "[ . 1 . 2]" 1
712 1 44 TYR HA 1 45 ILE HB . . 5.020 4.526 4.373 4.613 . 0 0 "[ . 1 . 2]" 1
713 1 44 TYR HA 1 82 VAL MG2 . . 4.510 4.199 3.921 4.515 0.005 9 0 "[ . 1 . 2]" 1
714 1 44 TYR HA 1 84 ALA HA . . 4.170 2.353 2.082 2.598 . 0 0 "[ . 1 . 2]" 1
715 1 44 TYR HA 1 84 ALA MB . . 4.060 3.843 3.457 4.065 0.005 9 0 "[ . 1 . 2]" 1
716 1 44 TYR HA 1 85 PHE H . . 3.880 3.263 2.889 3.617 . 0 0 "[ . 1 . 2]" 1
717 1 44 TYR HA 1 85 PHE QD . . 4.490 2.936 2.507 3.410 . 0 0 "[ . 1 . 2]" 1
718 1 44 TYR HB2 1 45 ILE H . . 4.210 3.917 3.499 4.211 0.001 19 0 "[ . 1 . 2]" 1
719 1 44 TYR HB2 1 60 TYR QD . . 5.340 4.669 4.309 5.019 . 0 0 "[ . 1 . 2]" 1
720 1 44 TYR HB2 1 60 TYR QE . . 4.300 2.799 2.229 3.590 . 0 0 "[ . 1 . 2]" 1
721 1 44 TYR HB2 1 61 VAL HA . . 5.500 5.090 4.629 5.472 . 0 0 "[ . 1 . 2]" 1
722 1 44 TYR HB2 1 82 VAL MG2 . . 4.150 3.608 3.258 3.891 . 0 0 "[ . 1 . 2]" 1
723 1 44 TYR HB2 1 84 ALA HA . . 5.500 4.864 4.548 5.144 . 0 0 "[ . 1 . 2]" 1
724 1 44 TYR HB2 1 85 PHE QE . . 5.500 5.357 5.011 5.516 0.016 20 0 "[ . 1 . 2]" 1
725 1 44 TYR HB3 1 45 ILE H . . 3.820 2.981 2.419 3.413 . 0 0 "[ . 1 . 2]" 1
726 1 44 TYR HB3 1 60 TYR QE . . 4.760 3.983 3.048 4.766 0.006 1 0 "[ . 1 . 2]" 1
727 1 44 TYR HB3 1 82 VAL MG2 . . 3.740 2.589 2.361 2.755 . 0 0 "[ . 1 . 2]" 1
728 1 44 TYR HB3 1 84 ALA HA . . 4.280 3.731 3.355 4.084 . 0 0 "[ . 1 . 2]" 1
729 1 44 TYR QD 1 82 VAL MG2 . . 4.730 3.155 2.601 3.463 . 0 0 "[ . 1 . 2]" 1
730 1 44 TYR QD 1 84 ALA MB . . 3.710 2.883 2.461 3.224 . 0 0 "[ . 1 . 2]" 1
731 1 44 TYR QE 1 84 ALA MB . . 4.070 2.783 2.330 3.209 . 0 0 "[ . 1 . 2]" 1
732 1 45 ILE H 1 45 ILE HB . . 3.550 2.607 2.443 2.795 . 0 0 "[ . 1 . 2]" 1
733 1 45 ILE H 1 45 ILE MD . . 4.180 3.796 3.403 4.146 . 0 0 "[ . 1 . 2]" 1
734 1 45 ILE H 1 45 ILE HG12 . . 4.470 4.165 3.981 4.339 . 0 0 "[ . 1 . 2]" 1
735 1 45 ILE H 1 45 ILE QG . . 3.880 2.847 2.593 3.093 . 0 0 "[ . 1 . 2]" 1
736 1 45 ILE H 1 45 ILE HG13 . . 4.470 2.900 2.625 3.171 . 0 0 "[ . 1 . 2]" 1
737 1 45 ILE H 1 45 ILE MG . . 4.040 3.820 3.711 3.893 . 0 0 "[ . 1 . 2]" 1
738 1 45 ILE H 1 46 LEU H . . 4.620 4.365 4.190 4.505 . 0 0 "[ . 1 . 2]" 1
739 1 45 ILE H 1 82 VAL HA . . 5.290 4.838 4.459 5.226 . 0 0 "[ . 1 . 2]" 1
740 1 45 ILE H 1 82 VAL MG2 . . 3.870 3.521 3.100 3.841 . 0 0 "[ . 1 . 2]" 1
741 1 45 ILE H 1 83 LYS HG2 . . 4.670 4.136 3.617 4.526 . 0 0 "[ . 1 . 2]" 1
742 1 45 ILE H 1 83 LYS HG3 . . 4.030 2.829 2.510 3.239 . 0 0 "[ . 1 . 2]" 1
743 1 45 ILE H 1 84 ALA HA . . 5.440 3.566 3.162 3.864 . 0 0 "[ . 1 . 2]" 1
744 1 45 ILE H 1 85 PHE QD . . 4.280 3.231 2.902 3.744 . 0 0 "[ . 1 . 2]" 1
745 1 45 ILE H 1 85 PHE QE . . 4.690 4.356 3.828 4.697 0.007 1 0 "[ . 1 . 2]" 1
746 1 45 ILE HA 1 45 ILE MD . . 4.100 3.858 3.793 3.889 . 0 0 "[ . 1 . 2]" 1
747 1 45 ILE HA 1 45 ILE HG12 . . 3.920 2.675 2.520 2.821 . 0 0 "[ . 1 . 2]" 1
748 1 45 ILE HA 1 45 ILE HG13 . . 3.920 2.769 2.580 2.934 . 0 0 "[ . 1 . 2]" 1
749 1 45 ILE HA 1 45 ILE MG . . 3.340 2.433 2.325 2.510 . 0 0 "[ . 1 . 2]" 1
750 1 45 ILE HA 1 46 LEU H . . 3.050 2.156 2.143 2.195 . 0 0 "[ . 1 . 2]" 1
751 1 45 ILE HA 1 46 LEU HB2 . . 4.730 4.265 4.209 4.346 . 0 0 "[ . 1 . 2]" 1
752 1 45 ILE HA 1 60 TYR H . . 4.960 4.669 4.391 4.847 . 0 0 "[ . 1 . 2]" 1
753 1 45 ILE HA 1 60 TYR QD . . 5.030 3.649 2.891 4.194 . 0 0 "[ . 1 . 2]" 1
754 1 45 ILE HA 1 61 VAL QG . . 4.300 2.659 2.252 3.066 . 0 0 "[ . 1 . 2]" 1
755 1 45 ILE HB 1 45 ILE MD . . 3.490 2.292 2.138 2.400 . 0 0 "[ . 1 . 2]" 1
756 1 45 ILE HB 1 83 LYS H . . 4.800 4.127 3.838 4.478 . 0 0 "[ . 1 . 2]" 1
757 1 45 ILE HB 1 83 LYS QE . . 3.950 2.166 1.920 2.668 . 0 0 "[ . 1 . 2]" 1
758 1 45 ILE HB 1 83 LYS HG2 . . 3.910 3.325 2.975 3.877 . 0 0 "[ . 1 . 2]" 1
759 1 45 ILE HB 1 83 LYS HG3 . . 3.730 2.580 2.210 2.908 . 0 0 "[ . 1 . 2]" 1
760 1 45 ILE HB 1 93 TYR QE . . 4.900 4.165 3.652 4.774 . 0 0 "[ . 1 . 2]" 1
761 1 45 ILE MD 1 45 ILE MG . . 2.800 2.252 1.987 2.447 . 0 0 "[ . 1 . 2]" 1
762 1 45 ILE MD 1 58 GLU QG . . 4.010 3.710 3.141 4.010 . 0 0 "[ . 1 . 2]" 1
763 1 45 ILE MD 1 83 LYS QE . . 3.470 2.263 1.741 2.872 . 0 0 "[ . 1 . 2]" 1
764 1 45 ILE MD 1 85 PHE HB2 . . 4.930 3.509 2.938 4.066 . 0 0 "[ . 1 . 2]" 1
765 1 45 ILE MD 1 85 PHE HB3 . . 3.790 2.746 1.972 3.479 . 0 0 "[ . 1 . 2]" 1
766 1 45 ILE MD 1 85 PHE QD . . 3.550 2.509 2.133 2.886 . 0 0 "[ . 1 . 2]" 1
767 1 45 ILE MD 1 85 PHE QE . . 3.940 3.178 2.516 3.856 . 0 0 "[ . 1 . 2]" 1
768 1 45 ILE QG 1 45 ILE MG . . 3.140 2.138 2.043 2.302 . 0 0 "[ . 1 . 2]" 1
769 1 45 ILE QG 1 46 LEU H . . 4.220 4.062 3.838 4.159 . 0 0 "[ . 1 . 2]" 1
770 1 45 ILE QG 1 61 VAL HB . . 4.500 3.633 1.973 4.425 . 0 0 "[ . 1 . 2]" 1
771 1 45 ILE QG 1 61 VAL QG . . 3.160 1.834 1.694 2.063 . 0 0 "[ . 1 . 2]" 1
772 1 45 ILE QG 1 85 PHE QD . . 3.360 2.143 1.994 2.398 . 0 0 "[ . 1 . 2]" 1
773 1 45 ILE QG 1 85 PHE QE . . 3.540 2.287 1.969 2.948 . 0 0 "[ . 1 . 2]" 1
774 1 45 ILE HG12 1 46 LEU H . . 4.930 4.373 4.060 4.541 . 0 0 "[ . 1 . 2]" 1
775 1 45 ILE HG12 1 85 PHE QD . . 4.110 3.784 3.550 4.020 . 0 0 "[ . 1 . 2]" 1
776 1 45 ILE HG12 1 85 PHE QE . . 4.260 3.281 2.850 3.964 . 0 0 "[ . 1 . 2]" 1
777 1 45 ILE HG13 1 46 LEU H . . 4.930 4.830 4.628 4.931 0.001 13 0 "[ . 1 . 2]" 1
778 1 45 ILE HG13 1 85 PHE QD . . 4.110 2.155 2.003 2.420 . 0 0 "[ . 1 . 2]" 1
779 1 45 ILE HG13 1 85 PHE QE . . 4.260 2.337 2.000 3.043 . 0 0 "[ . 1 . 2]" 1
780 1 45 ILE MG 1 46 LEU H . . 3.650 2.403 2.115 2.638 . 0 0 "[ . 1 . 2]" 1
781 1 45 ILE MG 1 46 LEU HB3 . . 4.950 4.865 4.766 4.954 0.004 13 0 "[ . 1 . 2]" 1
782 1 45 ILE MG 1 47 GLU HA . . 4.630 4.451 4.294 4.576 . 0 0 "[ . 1 . 2]" 1
783 1 45 ILE MG 1 47 GLU QG . . 3.380 2.887 2.541 3.231 . 0 0 "[ . 1 . 2]" 1
784 1 45 ILE MG 1 58 GLU H . . 5.240 5.017 4.772 5.252 0.012 9 0 "[ . 1 . 2]" 1
785 1 45 ILE MG 1 58 GLU HA . . 3.960 3.365 3.170 3.626 . 0 0 "[ . 1 . 2]" 1
786 1 45 ILE MG 1 58 GLU QB . . 3.930 3.196 2.807 3.500 . 0 0 "[ . 1 . 2]" 1
787 1 45 ILE MG 1 58 GLU HG2 . . 3.590 2.262 1.966 2.686 . 0 0 "[ . 1 . 2]" 1
788 1 45 ILE MG 1 58 GLU QG . . 2.900 2.061 1.860 2.310 . 0 0 "[ . 1 . 2]" 1
789 1 45 ILE MG 1 58 GLU HG3 . . 3.590 2.781 1.991 3.498 . 0 0 "[ . 1 . 2]" 1
790 1 45 ILE MG 1 59 VAL H . . 4.450 3.868 3.549 4.323 . 0 0 "[ . 1 . 2]" 1
791 1 45 ILE MG 1 60 TYR H . . 4.500 3.821 3.413 4.096 . 0 0 "[ . 1 . 2]" 1
792 1 45 ILE MG 1 60 TYR QD . . 5.240 4.714 4.011 5.205 . 0 0 "[ . 1 . 2]" 1
793 1 45 ILE MG 1 83 LYS HE2 . . 4.650 3.389 2.269 4.405 . 0 0 "[ . 1 . 2]" 1
794 1 45 ILE MG 1 83 LYS QE . . 3.940 2.737 2.158 3.428 . 0 0 "[ . 1 . 2]" 1
795 1 45 ILE MG 1 83 LYS HE3 . . 4.650 3.207 2.277 4.369 . 0 0 "[ . 1 . 2]" 1
796 1 45 ILE MG 1 85 PHE QD . . 4.910 4.653 4.444 4.793 . 0 0 "[ . 1 . 2]" 1
797 1 45 ILE MG 1 85 PHE QE . . 5.500 4.810 4.515 5.258 . 0 0 "[ . 1 . 2]" 1
798 1 45 ILE MG 1 93 TYR QE . . 4.290 3.490 2.631 4.268 . 0 0 "[ . 1 . 2]" 1
799 1 46 LEU H 1 46 LEU HB2 . . 3.580 2.262 2.227 2.310 . 0 0 "[ . 1 . 2]" 1
800 1 46 LEU H 1 46 LEU MD1 . . 4.160 3.886 3.659 4.058 . 0 0 "[ . 1 . 2]" 1
801 1 46 LEU H 1 46 LEU HG . . 4.780 3.330 3.136 3.493 . 0 0 "[ . 1 . 2]" 1
802 1 46 LEU H 1 59 VAL MG2 . . 4.600 3.642 3.493 4.049 . 0 0 "[ . 1 . 2]" 1
803 1 46 LEU H 1 60 TYR H . . 3.770 2.980 2.812 3.168 . 0 0 "[ . 1 . 2]" 1
804 1 46 LEU H 1 60 TYR HB2 . . 5.500 5.146 4.890 5.455 . 0 0 "[ . 1 . 2]" 1
805 1 46 LEU H 1 60 TYR HB3 . . 4.210 3.708 3.376 4.122 . 0 0 "[ . 1 . 2]" 1
806 1 46 LEU H 1 60 TYR QD . . 4.370 2.769 2.035 3.363 . 0 0 "[ . 1 . 2]" 1
807 1 46 LEU H 1 82 VAL MG2 . . 4.830 4.189 3.814 4.466 . 0 0 "[ . 1 . 2]" 1
808 1 46 LEU HA 1 83 LYS HG2 . . 5.130 4.778 4.451 5.054 . 0 0 "[ . 1 . 2]" 1
809 1 46 LEU HA 1 83 LYS HG3 . . 5.500 5.337 5.006 5.501 0.001 5 0 "[ . 1 . 2]" 1
810 1 46 LEU HB2 1 46 LEU MD1 . . 3.180 2.228 2.041 2.374 . 0 0 "[ . 1 . 2]" 1
811 1 46 LEU HB2 1 59 VAL H . . 4.250 3.722 3.479 4.124 . 0 0 "[ . 1 . 2]" 1
812 1 46 LEU HB2 1 60 TYR H . . 3.670 2.695 2.552 2.843 . 0 0 "[ . 1 . 2]" 1
813 1 46 LEU HB2 1 60 TYR HB2 . . 4.120 3.916 3.751 4.137 0.017 20 0 "[ . 1 . 2]" 1
814 1 46 LEU HB2 1 60 TYR HB3 . . 3.680 2.181 1.994 2.444 . 0 0 "[ . 1 . 2]" 1
815 1 46 LEU HB2 1 60 TYR QD . . 4.120 2.387 2.185 2.665 . 0 0 "[ . 1 . 2]" 1
816 1 46 LEU HB2 1 60 TYR QE . . 5.020 4.664 4.458 4.935 . 0 0 "[ . 1 . 2]" 1
817 1 46 LEU HB2 1 82 VAL MG2 . . 4.720 4.322 4.083 4.599 . 0 0 "[ . 1 . 2]" 1
818 1 46 LEU HB3 1 47 GLU HA . . 5.070 4.087 4.008 4.193 . 0 0 "[ . 1 . 2]" 1
819 1 46 LEU HB3 1 60 TYR HB3 . . 4.350 3.444 3.287 3.675 . 0 0 "[ . 1 . 2]" 1
820 1 46 LEU HB3 1 82 VAL MG2 . . 4.770 4.480 4.160 4.776 0.006 5 0 "[ . 1 . 2]" 1
821 1 46 LEU MD1 1 47 GLU H . . 4.560 4.519 4.266 4.570 0.010 5 0 "[ . 1 . 2]" 1
822 1 46 LEU MD1 1 60 TYR H . . 4.740 4.136 3.966 4.472 . 0 0 "[ . 1 . 2]" 1
823 1 46 LEU MD1 1 60 TYR HB2 . . 3.860 3.370 3.062 3.642 . 0 0 "[ . 1 . 2]" 1
824 1 46 LEU MD1 1 60 TYR HB3 . . 3.600 2.183 1.977 2.564 . 0 0 "[ . 1 . 2]" 1
825 1 46 LEU MD1 1 60 TYR QD . . 3.810 2.268 1.962 2.872 . 0 0 "[ . 1 . 2]" 1
826 1 46 LEU MD1 1 60 TYR QE . . 4.580 3.541 3.134 3.967 . 0 0 "[ . 1 . 2]" 1
827 1 46 LEU MD1 1 67 CYS H . . 4.360 3.922 3.259 4.305 . 0 0 "[ . 1 . 2]" 1
828 1 46 LEU MD1 1 67 CYS HB2 . . 4.030 3.272 2.365 3.937 . 0 0 "[ . 1 . 2]" 1
829 1 46 LEU MD1 1 67 CYS QB . . 3.390 2.262 1.841 2.696 . 0 0 "[ . 1 . 2]" 1
830 1 46 LEU MD1 1 67 CYS HB3 . . 4.030 2.345 1.869 3.035 . 0 0 "[ . 1 . 2]" 1
831 1 46 LEU MD1 1 82 VAL HA . . 5.500 4.978 4.704 5.268 . 0 0 "[ . 1 . 2]" 1
832 1 46 LEU MD1 1 82 VAL HB . . 5.330 4.145 3.768 4.648 . 0 0 "[ . 1 . 2]" 1
833 1 46 LEU MD1 1 82 VAL MG2 . . 3.710 3.471 3.089 3.711 0.001 16 0 "[ . 1 . 2]" 1
834 1 46 LEU MD2 1 47 GLU H . . 3.430 2.721 2.459 2.968 . 0 0 "[ . 1 . 2]" 1
835 1 46 LEU MD2 1 60 TYR HB3 . . 4.560 4.491 4.271 4.564 0.004 4 0 "[ . 1 . 2]" 1
836 1 46 LEU MD2 1 67 CYS QB . . 5.030 4.359 3.638 4.917 . 0 0 "[ . 1 . 2]" 1
837 1 46 LEU MD2 1 80 ALA HA . . 5.270 5.042 4.717 5.265 . 0 0 "[ . 1 . 2]" 1
838 1 46 LEU MD2 1 81 ARG H . . 4.010 3.539 3.042 3.994 . 0 0 "[ . 1 . 2]" 1
839 1 46 LEU MD2 1 82 VAL HA . . 3.870 2.418 2.035 2.799 . 0 0 "[ . 1 . 2]" 1
840 1 46 LEU MD2 1 82 VAL HB . . 3.110 1.916 1.769 2.295 . 0 0 "[ . 1 . 2]" 1
841 1 46 LEU MD2 1 82 VAL MG2 . . 3.130 2.287 1.915 2.706 . 0 0 "[ . 1 . 2]" 1
842 1 46 LEU MD2 1 83 LYS H . . 4.490 4.102 3.824 4.455 . 0 0 "[ . 1 . 2]" 1
843 1 46 LEU HG 1 47 GLU H . . 4.740 4.507 4.397 4.696 . 0 0 "[ . 1 . 2]" 1
844 1 46 LEU HG 1 60 TYR H . . 5.190 5.129 4.966 5.196 0.006 9 0 "[ . 1 . 2]" 1
845 1 46 LEU HG 1 60 TYR HB3 . . 5.110 3.940 3.674 4.264 . 0 0 "[ . 1 . 2]" 1
846 1 46 LEU HG 1 82 VAL MG2 . . 3.550 2.356 2.073 2.698 . 0 0 "[ . 1 . 2]" 1
847 1 47 GLU H 1 47 GLU HB2 . . 4.100 2.735 2.550 2.973 . 0 0 "[ . 1 . 2]" 1
848 1 47 GLU H 1 47 GLU QB . . 3.580 2.674 2.502 2.892 . 0 0 "[ . 1 . 2]" 1
849 1 47 GLU H 1 47 GLU HB3 . . 4.100 3.774 3.630 3.960 . 0 0 "[ . 1 . 2]" 1
850 1 47 GLU H 1 47 GLU QG . . 4.060 3.595 3.068 3.894 . 0 0 "[ . 1 . 2]" 1
851 1 47 GLU H 1 80 ALA MB . . 4.000 3.945 3.822 4.003 0.003 9 0 "[ . 1 . 2]" 1
852 1 47 GLU H 1 81 ARG H . . 3.890 2.848 2.604 3.130 . 0 0 "[ . 1 . 2]" 1
853 1 47 GLU H 1 82 VAL HA . . 4.040 3.653 3.385 3.886 . 0 0 "[ . 1 . 2]" 1
854 1 47 GLU H 1 82 VAL MG2 . . 4.890 4.665 4.303 4.899 0.009 14 0 "[ . 1 . 2]" 1
855 1 47 GLU H 1 83 LYS H . . 5.500 5.444 5.325 5.504 0.004 9 0 "[ . 1 . 2]" 1
856 1 47 GLU HA 1 47 GLU HG2 . . 3.920 2.609 2.159 3.684 . 0 0 "[ . 1 . 2]" 1
857 1 47 GLU HA 1 47 GLU QG . . 3.280 2.266 2.122 2.478 . 0 0 "[ . 1 . 2]" 1
858 1 47 GLU HA 1 47 GLU HG3 . . 3.920 3.030 2.349 3.678 . 0 0 "[ . 1 . 2]" 1
859 1 47 GLU HA 1 48 LEU H . . 3.110 2.227 2.177 2.305 . 0 0 "[ . 1 . 2]" 1
860 1 47 GLU HA 1 48 LEU HB2 . . 4.900 4.547 4.221 4.763 . 0 0 "[ . 1 . 2]" 1
861 1 47 GLU HA 1 48 LEU QB . . 4.210 3.942 3.896 3.985 . 0 0 "[ . 1 . 2]" 1
862 1 47 GLU HA 1 48 LEU HB3 . . 4.900 4.340 4.160 4.575 . 0 0 "[ . 1 . 2]" 1
863 1 47 GLU HA 1 56 PHE QD . . 5.500 4.944 4.443 5.278 . 0 0 "[ . 1 . 2]" 1
864 1 47 GLU HA 1 57 ARG H . . 4.520 4.215 3.725 4.485 . 0 0 "[ . 1 . 2]" 1
865 1 47 GLU HA 1 58 GLU HA . . 3.560 2.730 2.378 3.053 . 0 0 "[ . 1 . 2]" 1
866 1 47 GLU HA 1 58 GLU QB . . 5.230 4.804 4.501 5.114 . 0 0 "[ . 1 . 2]" 1
867 1 47 GLU HA 1 59 VAL H . . 3.810 2.994 2.659 3.317 . 0 0 "[ . 1 . 2]" 1
868 1 47 GLU HA 1 59 VAL MG1 . . 4.210 3.042 2.522 3.915 . 0 0 "[ . 1 . 2]" 1
869 1 47 GLU HA 1 59 VAL MG2 . . 3.740 2.764 2.253 3.026 . 0 0 "[ . 1 . 2]" 1
870 1 47 GLU HA 1 60 TYR H . . 4.730 4.629 4.463 4.738 0.008 9 0 "[ . 1 . 2]" 1
871 1 47 GLU QB 1 56 PHE HA . . 4.550 4.216 3.891 4.495 . 0 0 "[ . 1 . 2]" 1
872 1 47 GLU QB 1 56 PHE HB2 . . 4.170 2.964 2.608 3.327 . 0 0 "[ . 1 . 2]" 1
873 1 47 GLU QB 1 56 PHE HB3 . . 3.570 2.044 1.987 2.254 . 0 0 "[ . 1 . 2]" 1
874 1 47 GLU QB 1 56 PHE QD . . 3.850 3.074 2.372 3.465 . 0 0 "[ . 1 . 2]" 1
875 1 47 GLU QB 1 57 ARG H . . 4.440 3.829 3.286 4.391 . 0 0 "[ . 1 . 2]" 1
876 1 47 GLU QB 1 59 VAL MG2 . . 4.920 4.345 4.015 4.576 . 0 0 "[ . 1 . 2]" 1
877 1 47 GLU QB 1 80 ALA HA . . 4.810 4.319 4.037 4.620 . 0 0 "[ . 1 . 2]" 1
878 1 47 GLU QB 1 81 ARG H . . 4.280 3.453 2.956 3.791 . 0 0 "[ . 1 . 2]" 1
879 1 47 GLU QB 1 81 ARG QG . . 3.870 2.063 1.860 2.252 . 0 0 "[ . 1 . 2]" 1
880 1 47 GLU QB 1 93 TYR QE . . 4.270 3.349 2.769 3.967 . 0 0 "[ . 1 . 2]" 1
881 1 47 GLU HB2 1 48 LEU H . . 4.240 4.124 3.929 4.244 0.004 12 0 "[ . 1 . 2]" 1
882 1 47 GLU HB2 1 56 PHE HB2 . . 4.750 4.274 3.843 4.719 . 0 0 "[ . 1 . 2]" 1
883 1 47 GLU HB2 1 56 PHE HB3 . . 4.300 3.572 2.977 3.950 . 0 0 "[ . 1 . 2]" 1
884 1 47 GLU HB2 1 56 PHE QD . . 4.470 4.063 3.578 4.453 . 0 0 "[ . 1 . 2]" 1
885 1 47 GLU HB3 1 48 LEU H . . 4.240 2.978 2.747 3.140 . 0 0 "[ . 1 . 2]" 1
886 1 47 GLU HB3 1 56 PHE HB2 . . 4.750 3.027 2.640 3.409 . 0 0 "[ . 1 . 2]" 1
887 1 47 GLU HB3 1 56 PHE HB3 . . 4.300 2.058 1.995 2.277 . 0 0 "[ . 1 . 2]" 1
888 1 47 GLU HB3 1 56 PHE QD . . 4.470 3.212 2.400 3.788 . 0 0 "[ . 1 . 2]" 1
889 1 47 GLU QG 1 48 LEU H . . 4.340 3.785 3.437 4.272 . 0 0 "[ . 1 . 2]" 1
890 1 47 GLU QG 1 56 PHE HB2 . . 5.340 4.090 3.635 4.561 . 0 0 "[ . 1 . 2]" 1
891 1 47 GLU QG 1 59 VAL H . . 4.230 3.792 3.522 4.120 . 0 0 "[ . 1 . 2]" 1
892 1 47 GLU QG 1 59 VAL MG2 . . 4.380 4.170 3.895 4.380 . 0 0 "[ . 1 . 2]" 1
893 1 47 GLU QG 1 83 LYS HG2 . . 4.560 4.343 4.092 4.564 0.004 19 0 "[ . 1 . 2]" 1
894 1 47 GLU QG 1 93 TYR QE . . 3.930 2.582 2.079 3.615 . 0 0 "[ . 1 . 2]" 1
895 1 47 GLU HG2 1 58 GLU HA . . 4.040 2.805 2.134 4.039 . 0 0 "[ . 1 . 2]" 1
896 1 47 GLU HG3 1 58 GLU HA . . 4.040 3.307 2.065 4.048 0.008 18 0 "[ . 1 . 2]" 1
897 1 48 LEU H 1 48 LEU HB2 . . 3.770 3.468 3.251 3.620 . 0 0 "[ . 1 . 2]" 1
898 1 48 LEU H 1 48 LEU HB3 . . 3.770 2.884 2.770 2.996 . 0 0 "[ . 1 . 2]" 1
899 1 48 LEU H 1 48 LEU QD . . 4.730 3.972 3.579 4.105 . 0 0 "[ . 1 . 2]" 1
900 1 48 LEU H 1 56 PHE QD . . 4.450 3.885 3.520 4.132 . 0 0 "[ . 1 . 2]" 1
901 1 48 LEU H 1 59 VAL H . . 4.640 4.465 4.158 4.646 0.006 11 0 "[ . 1 . 2]" 1
902 1 48 LEU H 1 59 VAL MG1 . . 3.590 2.619 2.069 3.424 . 0 0 "[ . 1 . 2]" 1
903 1 48 LEU H 1 59 VAL MG2 . . 3.840 3.588 3.130 3.843 0.003 9 0 "[ . 1 . 2]" 1
904 1 48 LEU HA 1 48 LEU MD1 . . 4.180 2.604 2.075 3.611 . 0 0 "[ . 1 . 2]" 1
905 1 48 LEU HA 1 48 LEU QD . . 3.230 2.455 1.918 3.209 . 0 0 "[ . 1 . 2]" 1
906 1 48 LEU HA 1 48 LEU MD2 . . 4.180 3.786 1.929 4.015 . 0 0 "[ . 1 . 2]" 1
907 1 48 LEU HA 1 48 LEU HG . . 4.100 3.073 2.746 3.683 . 0 0 "[ . 1 . 2]" 1
908 1 48 LEU HA 1 49 ASP H . . 3.150 2.226 2.160 2.355 . 0 0 "[ . 1 . 2]" 1
909 1 48 LEU HA 1 49 ASP HA . . 5.030 4.355 4.340 4.373 . 0 0 "[ . 1 . 2]" 1
910 1 48 LEU HA 1 56 PHE QD . . 3.780 2.601 2.307 3.073 . 0 0 "[ . 1 . 2]" 1
911 1 48 LEU HA 1 59 VAL MG1 . . 4.750 4.192 3.844 4.685 . 0 0 "[ . 1 . 2]" 1
912 1 48 LEU HA 1 80 ALA HA . . 3.340 2.419 2.187 2.664 . 0 0 "[ . 1 . 2]" 1
913 1 48 LEU HA 1 80 ALA MB . . 3.680 3.435 3.179 3.630 . 0 0 "[ . 1 . 2]" 1
914 1 48 LEU HA 1 81 ARG H . . 4.230 4.119 3.947 4.229 . 0 0 "[ . 1 . 2]" 1
915 1 48 LEU QB 1 48 LEU QD . . 2.600 1.873 1.780 2.021 . 0 0 "[ . 1 . 2]" 1
916 1 48 LEU QB 1 49 ASP H . . 3.840 3.561 3.360 3.711 . 0 0 "[ . 1 . 2]" 1
917 1 48 LEU QB 1 59 VAL MG1 . . 3.240 2.028 1.805 2.301 . 0 0 "[ . 1 . 2]" 1
918 1 48 LEU QB 1 59 VAL MG2 . . 3.450 2.944 2.725 3.132 . 0 0 "[ . 1 . 2]" 1
919 1 48 LEU QB 1 78 TYR QB . . 5.340 4.968 4.670 5.235 . 0 0 "[ . 1 . 2]" 1
920 1 48 LEU QB 1 78 TYR QD . . 4.610 4.452 4.206 4.613 0.003 1 0 "[ . 1 . 2]" 1
921 1 48 LEU HB2 1 48 LEU MD1 . . 3.560 2.224 2.016 3.141 . 0 0 "[ . 1 . 2]" 1
922 1 48 LEU HB2 1 48 LEU MD2 . . 3.560 2.570 2.244 3.128 . 0 0 "[ . 1 . 2]" 1
923 1 48 LEU HB2 1 49 ASP H . . 4.610 3.963 3.736 4.143 . 0 0 "[ . 1 . 2]" 1
924 1 48 LEU HB2 1 59 VAL MG1 . . 3.690 3.129 2.151 3.680 . 0 0 "[ . 1 . 2]" 1
925 1 48 LEU HB2 1 78 TYR QD . . 5.260 4.979 4.600 5.209 . 0 0 "[ . 1 . 2]" 1
926 1 48 LEU HB3 1 48 LEU MD1 . . 3.560 3.037 2.200 3.188 . 0 0 "[ . 1 . 2]" 1
927 1 48 LEU HB3 1 48 LEU MD2 . . 3.560 2.265 2.049 3.158 . 0 0 "[ . 1 . 2]" 1
928 1 48 LEU HB3 1 49 ASP H . . 4.610 4.047 3.736 4.299 . 0 0 "[ . 1 . 2]" 1
929 1 48 LEU HB3 1 59 VAL MG1 . . 3.690 2.061 1.830 2.325 . 0 0 "[ . 1 . 2]" 1
930 1 48 LEU HB3 1 78 TYR QD . . 5.260 5.025 4.760 5.260 . 0 0 "[ . 1 . 2]" 1
931 1 48 LEU QD 1 49 ASP H . . 3.700 2.416 1.823 3.355 . 0 0 "[ . 1 . 2]" 1
932 1 48 LEU QD 1 49 ASP HA . . 5.280 4.138 3.150 4.600 . 0 0 "[ . 1 . 2]" 1
933 1 48 LEU QD 1 56 PHE HA . . 5.440 5.336 4.889 5.447 0.007 16 0 "[ . 1 . 2]" 1
934 1 48 LEU QD 1 69 VAL HB . . 4.570 4.207 3.825 4.574 0.004 9 0 "[ . 1 . 2]" 1
935 1 48 LEU QD 1 72 LEU MD2 . . 3.200 2.252 1.926 2.566 . 0 0 "[ . 1 . 2]" 1
936 1 48 LEU QD 1 78 TYR QB . . 3.350 2.168 1.924 2.606 . 0 0 "[ . 1 . 2]" 1
937 1 48 LEU QD 1 78 TYR QD . . 3.370 2.039 1.818 2.351 . 0 0 "[ . 1 . 2]" 1
938 1 48 LEU QD 1 78 TYR QE . . 4.280 2.855 2.094 3.411 . 0 0 "[ . 1 . 2]" 1
939 1 48 LEU QD 1 80 ALA H . . 4.710 3.551 3.024 4.423 . 0 0 "[ . 1 . 2]" 1
940 1 48 LEU QD 1 80 ALA HA . . 3.720 2.735 2.035 3.719 . 0 0 "[ . 1 . 2]" 1
941 1 48 LEU QD 1 80 ALA MB . . 2.840 2.079 1.862 2.504 . 0 0 "[ . 1 . 2]" 1
942 1 48 LEU MD1 1 49 ASP H . . 4.680 2.627 1.918 4.182 . 0 0 "[ . 1 . 2]" 1
943 1 48 LEU MD1 1 72 LEU MD2 . . 3.950 3.421 2.241 3.954 0.004 18 0 "[ . 1 . 2]" 1
944 1 48 LEU MD1 1 78 TYR QB . . 4.170 2.274 1.934 3.828 . 0 0 "[ . 1 . 2]" 1
945 1 48 LEU MD1 1 78 TYR QD . . 3.850 2.157 1.877 2.681 . 0 0 "[ . 1 . 2]" 1
946 1 48 LEU MD2 1 49 ASP H . . 4.680 3.866 1.834 4.336 . 0 0 "[ . 1 . 2]" 1
947 1 48 LEU MD2 1 72 LEU MD2 . . 3.950 2.409 1.946 3.358 . 0 0 "[ . 1 . 2]" 1
948 1 48 LEU MD2 1 78 TYR QB . . 4.170 3.447 2.167 4.172 0.002 13 0 "[ . 1 . 2]" 1
949 1 48 LEU MD2 1 78 TYR QD . . 3.850 2.688 1.981 3.093 . 0 0 "[ . 1 . 2]" 1
950 1 48 LEU HG 1 49 ASP H . . 4.350 2.621 2.100 4.399 0.049 4 0 "[ . 1 . 2]" 1
951 1 48 LEU HG 1 59 VAL MG1 . . 4.970 4.105 3.700 4.629 . 0 0 "[ . 1 . 2]" 1
952 1 48 LEU HG 1 78 TYR QB . . 4.740 4.099 3.327 4.458 . 0 0 "[ . 1 . 2]" 1
953 1 48 LEU HG 1 78 TYR QD . . 3.880 2.626 2.120 3.306 . 0 0 "[ . 1 . 2]" 1
954 1 48 LEU HG 1 78 TYR QE . . 4.740 3.615 3.211 4.669 . 0 0 "[ . 1 . 2]" 1
955 1 48 LEU HG 1 80 ALA HA . . 5.250 4.727 3.813 5.071 . 0 0 "[ . 1 . 2]" 1
956 1 48 LEU HG 1 80 ALA MB . . 4.590 4.316 3.639 4.589 . 0 0 "[ . 1 . 2]" 1
957 1 49 ASP H 1 49 ASP QB . . 3.570 2.509 2.231 2.782 . 0 0 "[ . 1 . 2]" 1
958 1 49 ASP H 1 56 PHE HA . . 4.710 4.122 3.906 4.458 . 0 0 "[ . 1 . 2]" 1
959 1 49 ASP H 1 56 PHE QD . . 3.840 3.308 2.988 3.862 0.022 9 0 "[ . 1 . 2]" 1
960 1 49 ASP H 1 78 TYR QD . . 4.650 3.741 3.419 4.347 . 0 0 "[ . 1 . 2]" 1
961 1 49 ASP H 1 79 ASN H . . 4.110 3.309 3.045 3.574 . 0 0 "[ . 1 . 2]" 1
962 1 49 ASP H 1 80 ALA HA . . 4.420 4.026 3.815 4.260 . 0 0 "[ . 1 . 2]" 1
963 1 49 ASP H 1 80 ALA MB . . 4.870 4.682 4.512 4.825 . 0 0 "[ . 1 . 2]" 1
964 1 49 ASP HA 1 56 PHE HA . . 3.240 2.808 2.445 3.239 . 0 0 "[ . 1 . 2]" 1
965 1 49 ASP HA 1 56 PHE HB3 . . 5.500 4.668 4.278 5.065 . 0 0 "[ . 1 . 2]" 1
966 1 49 ASP HA 1 57 ARG H . . 3.660 3.467 3.158 3.668 0.008 1 0 "[ . 1 . 2]" 1
967 1 49 ASP QB 1 50 ASP H . . 3.200 2.613 2.075 3.206 0.006 2 0 "[ . 1 . 2]" 1
968 1 49 ASP QB 1 51 GLY H . . 4.010 3.181 2.611 3.654 . 0 0 "[ . 1 . 2]" 1
969 1 49 ASP QB 1 54 GLY H . . 4.520 3.264 2.402 3.904 . 0 0 "[ . 1 . 2]" 1
970 1 49 ASP QB 1 56 PHE HA . . 4.050 3.165 2.700 4.038 . 0 0 "[ . 1 . 2]" 1
971 1 49 ASP QB 1 56 PHE QD . . 4.210 3.565 3.305 4.228 0.018 9 0 "[ . 1 . 2]" 1
972 1 49 ASP HB2 1 50 ASP H . . 3.940 2.932 2.088 3.929 . 0 0 "[ . 1 . 2]" 1
973 1 49 ASP HB2 1 51 GLY H . . 4.640 3.846 2.705 4.555 . 0 0 "[ . 1 . 2]" 1
974 1 49 ASP HB3 1 50 ASP H . . 3.940 3.499 2.478 3.907 . 0 0 "[ . 1 . 2]" 1
975 1 49 ASP HB3 1 51 GLY H . . 4.640 3.860 2.715 4.644 0.004 19 0 "[ . 1 . 2]" 1
976 1 50 ASP H 1 50 ASP HB2 . . 4.100 2.924 2.254 3.649 . 0 0 "[ . 1 . 2]" 1
977 1 50 ASP H 1 50 ASP QB . . 3.570 2.492 2.230 2.924 . 0 0 "[ . 1 . 2]" 1
978 1 50 ASP H 1 50 ASP HB3 . . 4.100 3.016 2.423 3.623 . 0 0 "[ . 1 . 2]" 1
979 1 50 ASP H 1 51 GLY H . . 3.490 3.141 3.032 3.297 . 0 0 "[ . 1 . 2]" 1
980 1 50 ASP H 1 51 GLY HA2 . . 5.230 5.081 4.976 5.221 . 0 0 "[ . 1 . 2]" 1
981 1 50 ASP H 1 52 ASN H . . 3.980 3.310 3.149 3.480 . 0 0 "[ . 1 . 2]" 1
982 1 50 ASP H 1 53 GLY H . . 4.720 4.308 4.020 4.519 . 0 0 "[ . 1 . 2]" 1
983 1 50 ASP H 1 54 GLY H . . 4.760 4.517 4.230 4.767 0.007 4 0 "[ . 1 . 2]" 1
984 1 50 ASP H 1 56 PHE HA . . 5.330 4.996 4.621 5.274 . 0 0 "[ . 1 . 2]" 1
985 1 50 ASP H 1 78 TYR QE . . 5.040 4.730 4.354 5.003 . 0 0 "[ . 1 . 2]" 1
986 1 50 ASP HA 1 52 ASN H . . 4.750 4.366 4.247 4.531 . 0 0 "[ . 1 . 2]" 1
987 1 50 ASP HA 1 78 TYR QD . . 4.760 4.271 3.865 4.703 . 0 0 "[ . 1 . 2]" 1
988 1 50 ASP HA 1 78 TYR QE . . 3.860 2.479 2.032 2.944 . 0 0 "[ . 1 . 2]" 1
989 1 50 ASP QB 1 52 ASN H . . 4.740 3.781 3.344 4.353 . 0 0 "[ . 1 . 2]" 1
990 1 51 GLY H 1 52 ASN H . . 3.350 2.794 2.672 2.861 . 0 0 "[ . 1 . 2]" 1
991 1 51 GLY H 1 53 GLY H . . 4.360 4.183 3.972 4.349 . 0 0 "[ . 1 . 2]" 1
992 1 51 GLY H 1 78 TYR QD . . 3.880 3.038 2.646 3.480 . 0 0 "[ . 1 . 2]" 1
993 1 51 GLY H 1 78 TYR QE . . 4.400 2.878 2.211 3.467 . 0 0 "[ . 1 . 2]" 1
994 1 51 GLY H 1 79 ASN H . . 4.670 4.240 3.993 4.506 . 0 0 "[ . 1 . 2]" 1
995 1 51 GLY HA2 1 53 GLY H . . 4.970 3.978 3.595 4.153 . 0 0 "[ . 1 . 2]" 1
996 1 51 GLY HA2 1 76 SER QB . . 4.260 3.983 3.495 4.256 . 0 0 "[ . 1 . 2]" 1
997 1 51 GLY HA2 1 78 TYR QD . . 4.250 3.707 3.266 4.025 . 0 0 "[ . 1 . 2]" 1
998 1 51 GLY HA2 1 78 TYR QE . . 4.700 4.057 3.393 4.505 . 0 0 "[ . 1 . 2]" 1
999 1 51 GLY HA2 1 79 ASN H . . 4.510 4.258 3.809 4.514 0.004 9 0 "[ . 1 . 2]" 1
1000 1 51 GLY HA3 1 76 SER HB2 . . 4.640 4.119 2.982 4.599 . 0 0 "[ . 1 . 2]" 1
1001 1 51 GLY HA3 1 76 SER QB . . 3.980 3.015 2.803 3.400 . 0 0 "[ . 1 . 2]" 1
1002 1 51 GLY HA3 1 76 SER HB3 . . 4.640 3.175 2.866 4.548 . 0 0 "[ . 1 . 2]" 1
1003 1 51 GLY HA3 1 77 THR H . . 5.500 5.019 4.516 5.443 . 0 0 "[ . 1 . 2]" 1
1004 1 51 GLY HA3 1 78 TYR QD . . 4.760 3.877 2.848 4.217 . 0 0 "[ . 1 . 2]" 1
1005 1 51 GLY HA3 1 78 TYR QE . . 3.810 3.391 2.339 3.804 . 0 0 "[ . 1 . 2]" 1
1006 1 52 ASN H 1 52 ASN HB2 . . 3.680 2.648 2.298 3.138 . 0 0 "[ . 1 . 2]" 1
1007 1 52 ASN H 1 52 ASN QB . . 3.140 2.345 2.271 2.433 . 0 0 "[ . 1 . 2]" 1
1008 1 52 ASN H 1 52 ASN HB3 . . 3.680 3.016 2.403 3.613 . 0 0 "[ . 1 . 2]" 1
1009 1 52 ASN H 1 52 ASN QD . . 4.830 4.312 2.591 4.699 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ASN H 1 53 GLY H . . 2.910 2.065 2.014 2.108 . 0 0 "[ . 1 . 2]" 1
1011 1 52 ASN H 1 53 GLY HA2 . . 4.830 4.343 4.279 4.383 . 0 0 "[ . 1 . 2]" 1
1012 1 52 ASN H 1 53 GLY QA . . 4.060 4.026 3.969 4.059 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ASN H 1 53 GLY HA3 . . 4.830 4.760 4.700 4.791 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ASN H 1 54 GLY H . . 3.900 3.783 3.578 3.889 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ASN QB 1 52 ASN QD . . 2.960 2.221 2.067 2.503 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ASN QB 1 53 GLY QA . . 5.180 4.092 3.958 4.278 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ASN QB 1 54 GLY H . . 4.000 3.286 2.988 3.472 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ASN HB2 1 53 GLY H . . 4.460 3.560 2.917 4.144 . 0 0 "[ . 1 . 2]" 1
1019 1 52 ASN HB3 1 53 GLY H . . 4.460 3.208 2.745 3.870 . 0 0 "[ . 1 . 2]" 1
1020 1 53 GLY QA 1 54 GLY H . . 3.090 2.756 2.696 2.844 . 0 0 "[ . 1 . 2]" 1
1021 1 54 GLY H 1 55 GLN H . . 3.830 3.636 3.278 3.806 . 0 0 "[ . 1 . 2]" 1
1022 1 54 GLY HA2 1 55 GLN H . . 3.480 3.270 3.182 3.414 . 0 0 "[ . 1 . 2]" 1
1023 1 54 GLY HA3 1 55 GLN H . . 2.930 2.143 2.136 2.187 . 0 0 "[ . 1 . 2]" 1
1024 1 54 GLY HA3 1 55 GLN HA . . 4.650 4.383 4.362 4.400 . 0 0 "[ . 1 . 2]" 1
1025 1 54 GLY HA3 1 55 GLN QB . . 4.580 4.351 4.172 4.499 . 0 0 "[ . 1 . 2]" 1
1026 1 54 GLY HA3 1 55 GLN QG . . 4.500 4.056 3.632 4.493 . 0 0 "[ . 1 . 2]" 1
1027 1 55 GLN H 1 55 GLN HB2 . . 3.770 3.156 2.283 3.706 . 0 0 "[ . 1 . 2]" 1
1028 1 55 GLN H 1 55 GLN QB . . 2.940 2.571 2.256 2.914 . 0 0 "[ . 1 . 2]" 1
1029 1 55 GLN H 1 55 GLN HB3 . . 3.770 3.119 2.522 3.701 . 0 0 "[ . 1 . 2]" 1
1030 1 55 GLN H 1 55 GLN QG . . 3.290 2.443 1.904 3.242 . 0 0 "[ . 1 . 2]" 1
1031 1 55 GLN H 1 56 PHE H . . 4.600 4.556 4.485 4.638 0.038 9 0 "[ . 1 . 2]" 1
1032 1 55 GLN HA 1 55 GLN QG . . 3.480 3.004 2.201 3.452 . 0 0 "[ . 1 . 2]" 1
1033 1 55 GLN HA 1 56 PHE H . . 2.720 2.371 2.200 2.609 . 0 0 "[ . 1 . 2]" 1
1034 1 55 GLN HA 1 56 PHE HB2 . . 4.900 4.694 4.425 4.818 . 0 0 "[ . 1 . 2]" 1
1035 1 55 GLN HA 1 56 PHE QD . . 4.180 2.715 2.507 3.261 . 0 0 "[ . 1 . 2]" 1
1036 1 55 GLN QB 1 56 PHE H . . 3.400 2.512 2.016 2.959 . 0 0 "[ . 1 . 2]" 1
1037 1 55 GLN QG 1 56 PHE H . . 4.130 3.725 3.166 4.131 0.001 20 0 "[ . 1 . 2]" 1
1038 1 56 PHE H 1 56 PHE HB2 . . 3.160 2.553 2.376 2.748 . 0 0 "[ . 1 . 2]" 1
1039 1 56 PHE H 1 56 PHE HB3 . . 3.780 3.695 3.600 3.792 0.012 11 0 "[ . 1 . 2]" 1
1040 1 56 PHE H 1 56 PHE QD . . 3.350 2.006 1.897 2.473 . 0 0 "[ . 1 . 2]" 1
1041 1 56 PHE H 1 57 ARG H . . 5.040 4.503 4.384 4.590 . 0 0 "[ . 1 . 2]" 1
1042 1 56 PHE HA 1 56 PHE QD . . 3.780 3.175 3.002 3.256 . 0 0 "[ . 1 . 2]" 1
1043 1 56 PHE HA 1 57 ARG H . . 3.020 2.230 2.150 2.421 . 0 0 "[ . 1 . 2]" 1
1044 1 56 PHE HB2 1 57 ARG H . . 4.400 3.963 3.572 4.241 . 0 0 "[ . 1 . 2]" 1
1045 1 56 PHE HB2 1 81 ARG QH1 . . 4.680 4.263 3.697 4.529 . 0 0 "[ . 1 . 2]" 1
1046 1 56 PHE HB3 1 57 ARG H . . 3.810 2.964 2.398 3.309 . 0 0 "[ . 1 . 2]" 1
1047 1 56 PHE HB3 1 81 ARG QH1 . . 5.500 4.800 3.948 5.381 . 0 0 "[ . 1 . 2]" 1
1048 1 56 PHE QD 1 57 ARG H . . 4.840 4.336 3.873 4.514 . 0 0 "[ . 1 . 2]" 1
1049 1 56 PHE QD 1 79 ASN HB2 . . 4.700 4.178 3.750 4.645 . 0 0 "[ . 1 . 2]" 1
1050 1 56 PHE QD 1 79 ASN HB3 . . 5.140 4.722 4.314 5.140 . 0 0 "[ . 1 . 2]" 1
1051 1 56 PHE QD 1 80 ALA HA . . 3.720 3.275 2.922 3.594 . 0 0 "[ . 1 . 2]" 1
1052 1 56 PHE QD 1 80 ALA MB . . 4.980 4.729 4.457 4.979 . 0 0 "[ . 1 . 2]" 1
1053 1 56 PHE QD 1 81 ARG H . . 4.540 4.338 3.779 4.537 . 0 0 "[ . 1 . 2]" 1
1054 1 56 PHE QD 1 81 ARG QD . . 4.250 3.280 2.971 3.733 . 0 0 "[ . 1 . 2]" 1
1055 1 56 PHE QD 1 81 ARG QG . . 4.370 3.331 2.820 3.924 . 0 0 "[ . 1 . 2]" 1
1056 1 56 PHE QD 1 81 ARG QH1 . . 4.730 3.380 2.644 4.154 . 0 0 "[ . 1 . 2]" 1
1057 1 56 PHE QE 1 79 ASN HA . . 4.700 3.999 3.667 4.214 . 0 0 "[ . 1 . 2]" 1
1058 1 56 PHE QE 1 79 ASN HB2 . . 3.710 2.256 1.997 2.770 . 0 0 "[ . 1 . 2]" 1
1059 1 56 PHE QE 1 79 ASN HB3 . . 3.650 2.427 2.063 2.902 . 0 0 "[ . 1 . 2]" 1
1060 1 56 PHE QE 1 80 ALA H . . 4.500 4.115 3.757 4.462 . 0 0 "[ . 1 . 2]" 1
1061 1 56 PHE QE 1 96 THR MG . . 3.550 3.225 2.809 3.552 0.002 12 0 "[ . 1 . 2]" 1
1062 1 57 ARG H 1 57 ARG QB . . 3.570 2.906 2.740 3.097 . 0 0 "[ . 1 . 2]" 1
1063 1 57 ARG H 1 57 ARG HD2 . . 4.660 3.814 1.892 4.699 0.039 9 0 "[ . 1 . 2]" 1
1064 1 57 ARG H 1 57 ARG QD . . 4.090 3.318 1.869 4.091 0.001 14 0 "[ . 1 . 2]" 1
1065 1 57 ARG H 1 57 ARG HD3 . . 4.660 3.918 1.897 4.696 0.036 7 0 "[ . 1 . 2]" 1
1066 1 57 ARG H 1 57 ARG HG2 . . 4.190 2.560 1.960 3.561 . 0 0 "[ . 1 . 2]" 1
1067 1 57 ARG H 1 57 ARG QG . . 3.560 2.305 1.910 2.968 . 0 0 "[ . 1 . 2]" 1
1068 1 57 ARG H 1 57 ARG HG3 . . 4.190 3.362 1.918 4.132 . 0 0 "[ . 1 . 2]" 1
1069 1 57 ARG QB 1 57 ARG HD2 . . 3.650 2.447 2.065 3.293 . 0 0 "[ . 1 . 2]" 1
1070 1 57 ARG QB 1 57 ARG HD3 . . 3.650 2.830 2.086 3.420 . 0 0 "[ . 1 . 2]" 1
1071 1 57 ARG QB 1 58 GLU H . . 3.340 2.679 2.138 2.964 . 0 0 "[ . 1 . 2]" 1
1072 1 57 ARG QD 1 59 VAL MG1 . . 4.270 3.709 2.017 4.233 . 0 0 "[ . 1 . 2]" 1
1073 1 57 ARG QG 1 58 GLU H . . 3.960 3.738 3.422 3.971 0.011 1 0 "[ . 1 . 2]" 1
1074 1 57 ARG QG 1 59 VAL MG1 . . 3.800 2.915 2.680 3.463 . 0 0 "[ . 1 . 2]" 1
1075 1 57 ARG HG2 1 59 VAL MG1 . . 4.380 3.506 2.718 4.393 0.013 9 0 "[ . 1 . 2]" 1
1076 1 57 ARG HG3 1 59 VAL MG1 . . 4.380 3.348 2.850 4.096 . 0 0 "[ . 1 . 2]" 1
1077 1 58 GLU H 1 58 GLU HB2 . . 3.830 2.336 2.257 2.496 . 0 0 "[ . 1 . 2]" 1
1078 1 58 GLU H 1 58 GLU QB . . 2.970 2.306 2.233 2.452 . 0 0 "[ . 1 . 2]" 1
1079 1 58 GLU H 1 58 GLU HB3 . . 3.830 3.563 3.535 3.592 . 0 0 "[ . 1 . 2]" 1
1080 1 58 GLU H 1 58 GLU HG2 . . 4.200 3.927 3.517 4.133 . 0 0 "[ . 1 . 2]" 1
1081 1 58 GLU H 1 58 GLU QG . . 3.420 2.869 2.158 3.345 . 0 0 "[ . 1 . 2]" 1
1082 1 58 GLU H 1 58 GLU HG3 . . 4.200 2.976 2.178 3.536 . 0 0 "[ . 1 . 2]" 1
1083 1 58 GLU H 1 59 VAL H . . 4.800 4.564 4.505 4.609 . 0 0 "[ . 1 . 2]" 1
1084 1 58 GLU H 1 59 VAL MG1 . . 5.500 4.810 4.536 5.074 . 0 0 "[ . 1 . 2]" 1
1085 1 58 GLU HA 1 58 GLU HG2 . . 3.980 3.085 2.396 3.572 . 0 0 "[ . 1 . 2]" 1
1086 1 58 GLU HA 1 58 GLU QG . . 3.410 2.303 2.184 2.469 . 0 0 "[ . 1 . 2]" 1
1087 1 58 GLU HA 1 58 GLU HG3 . . 3.980 2.498 2.206 2.959 . 0 0 "[ . 1 . 2]" 1
1088 1 58 GLU HA 1 59 VAL H . . 3.200 2.169 2.142 2.198 . 0 0 "[ . 1 . 2]" 1
1089 1 58 GLU HA 1 59 VAL MG1 . . 4.350 3.865 3.619 4.182 . 0 0 "[ . 1 . 2]" 1
1090 1 58 GLU HA 1 59 VAL MG2 . . 4.060 3.609 3.401 3.767 . 0 0 "[ . 1 . 2]" 1
1091 1 58 GLU HA 1 60 TYR H . . 3.980 3.744 3.562 3.972 . 0 0 "[ . 1 . 2]" 1
1092 1 58 GLU QB 1 59 VAL H . . 4.020 3.129 2.985 3.303 . 0 0 "[ . 1 . 2]" 1
1093 1 58 GLU QB 1 59 VAL HA . . 5.270 4.201 4.096 4.336 . 0 0 "[ . 1 . 2]" 1
1094 1 58 GLU QB 1 59 VAL MG2 . . 4.850 4.533 4.398 4.674 . 0 0 "[ . 1 . 2]" 1
1095 1 58 GLU QB 1 60 TYR H . . 4.300 3.631 3.408 4.181 . 0 0 "[ . 1 . 2]" 1
1096 1 58 GLU HB2 1 59 VAL H . . 4.570 4.259 4.078 4.377 . 0 0 "[ . 1 . 2]" 1
1097 1 58 GLU HB3 1 59 VAL H . . 4.570 3.220 3.060 3.423 . 0 0 "[ . 1 . 2]" 1
1098 1 58 GLU QG 1 59 VAL H . . 4.340 3.868 3.692 4.064 . 0 0 "[ . 1 . 2]" 1
1099 1 58 GLU QG 1 59 VAL MG2 . . 5.340 4.971 4.775 5.180 . 0 0 "[ . 1 . 2]" 1
1100 1 58 GLU HG2 1 59 VAL H . . 4.970 4.531 3.848 4.980 0.010 9 0 "[ . 1 . 2]" 1
1101 1 58 GLU HG3 1 59 VAL H . . 4.970 4.367 3.843 4.955 . 0 0 "[ . 1 . 2]" 1
1102 1 59 VAL H 1 59 VAL HB . . 3.980 3.734 3.642 3.815 . 0 0 "[ . 1 . 2]" 1
1103 1 59 VAL H 1 59 VAL MG1 . . 3.580 2.945 2.732 3.237 . 0 0 "[ . 1 . 2]" 1
1104 1 59 VAL H 1 59 VAL MG2 . . 3.150 1.994 1.875 2.118 . 0 0 "[ . 1 . 2]" 1
1105 1 59 VAL H 1 60 TYR H . . 2.930 1.946 1.811 2.137 . 0 0 "[ . 1 . 2]" 1
1106 1 59 VAL HA 1 59 VAL MG1 . . 3.010 2.222 2.051 2.377 . 0 0 "[ . 1 . 2]" 1
1107 1 59 VAL HA 1 59 VAL MG2 . . 3.550 3.194 3.172 3.203 . 0 0 "[ . 1 . 2]" 1
1108 1 59 VAL HB 1 60 TYR H . . 3.960 3.846 3.643 3.965 0.005 20 0 "[ . 1 . 2]" 1
1109 1 59 VAL HB 1 69 VAL MG1 . . 5.020 4.944 4.441 5.030 0.010 20 0 "[ . 1 . 2]" 1
1110 1 59 VAL HB 1 69 VAL QG . . 3.840 3.413 2.620 3.843 0.003 16 0 "[ . 1 . 2]" 1
1111 1 59 VAL HB 1 69 VAL MG2 . . 5.020 3.508 2.629 4.187 . 0 0 "[ . 1 . 2]" 1
1112 1 59 VAL MG1 1 60 TYR H . . 4.260 4.048 3.890 4.205 . 0 0 "[ . 1 . 2]" 1
1113 1 59 VAL MG2 1 60 TYR H . . 3.210 2.201 1.911 2.477 . 0 0 "[ . 1 . 2]" 1
1114 1 59 VAL MG2 1 60 TYR HB2 . . 4.230 3.548 3.277 4.039 . 0 0 "[ . 1 . 2]" 1
1115 1 59 VAL MG2 1 60 TYR HB3 . . 3.430 2.534 2.300 2.908 . 0 0 "[ . 1 . 2]" 1
1116 1 60 TYR H 1 60 TYR HB2 . . 3.980 3.678 3.558 3.758 . 0 0 "[ . 1 . 2]" 1
1117 1 60 TYR H 1 60 TYR HB3 . . 3.750 2.794 2.568 2.968 . 0 0 "[ . 1 . 2]" 1
1118 1 60 TYR H 1 60 TYR QD . . 4.350 3.891 3.594 4.076 . 0 0 "[ . 1 . 2]" 1
1119 1 60 TYR H 1 61 VAL H . . 4.500 4.339 4.268 4.413 . 0 0 "[ . 1 . 2]" 1
1120 1 60 TYR HA 1 60 TYR QE . . 5.120 5.021 4.937 5.105 . 0 0 "[ . 1 . 2]" 1
1121 1 60 TYR HA 1 61 VAL H . . 2.990 2.281 2.220 2.358 . 0 0 "[ . 1 . 2]" 1
1122 1 60 TYR HA 1 61 VAL QG . . 4.660 3.430 3.221 3.670 . 0 0 "[ . 1 . 2]" 1
1123 1 60 TYR HB2 1 61 VAL H . . 4.350 3.617 3.514 3.722 . 0 0 "[ . 1 . 2]" 1
1124 1 60 TYR HB2 1 61 VAL HA . . 5.500 5.485 5.441 5.546 0.046 15 0 "[ . 1 . 2]" 1
1125 1 60 TYR HB3 1 61 VAL H . . 4.740 4.106 3.953 4.226 . 0 0 "[ . 1 . 2]" 1
1126 1 60 TYR QD 1 61 VAL H . . 3.940 2.931 2.626 3.262 . 0 0 "[ . 1 . 2]" 1
1127 1 60 TYR QD 1 61 VAL HA . . 5.320 3.590 3.259 3.957 . 0 0 "[ . 1 . 2]" 1
1128 1 60 TYR QD 1 62 GLY H . . 4.790 4.482 4.297 4.756 . 0 0 "[ . 1 . 2]" 1
1129 1 60 TYR QD 1 67 CYS HB2 . . 4.800 3.687 3.075 4.259 . 0 0 "[ . 1 . 2]" 1
1130 1 60 TYR QD 1 67 CYS HB3 . . 4.800 3.855 3.400 4.422 . 0 0 "[ . 1 . 2]" 1
1131 1 60 TYR QD 1 82 VAL MG2 . . 5.500 4.148 3.794 4.518 . 0 0 "[ . 1 . 2]" 1
1132 1 60 TYR QE 1 61 VAL H . . 4.560 3.959 3.639 4.237 . 0 0 "[ . 1 . 2]" 1
1133 1 60 TYR QE 1 61 VAL HA . . 4.800 3.816 3.427 4.152 . 0 0 "[ . 1 . 2]" 1
1134 1 60 TYR QE 1 62 GLY H . . 4.040 3.576 3.225 3.976 . 0 0 "[ . 1 . 2]" 1
1135 1 60 TYR QE 1 62 GLY HA2 . . 5.170 4.949 4.642 5.170 . 0 0 "[ . 1 . 2]" 1
1136 1 60 TYR QE 1 62 GLY HA3 . . 4.450 3.555 3.199 3.853 . 0 0 "[ . 1 . 2]" 1
1137 1 60 TYR QE 1 63 LYS H . . 4.720 4.523 4.112 4.724 0.004 20 0 "[ . 1 . 2]" 1
1138 1 60 TYR QE 1 64 GLU H . . 4.130 3.692 3.217 4.136 0.006 4 0 "[ . 1 . 2]" 1
1139 1 60 TYR QE 1 64 GLU QB . . 4.020 3.019 2.021 3.602 . 0 0 "[ . 1 . 2]" 1
1140 1 60 TYR QE 1 64 GLU HG2 . . 5.020 4.590 3.692 4.984 . 0 0 "[ . 1 . 2]" 1
1141 1 60 TYR QE 1 64 GLU QG . . 4.280 3.470 2.799 4.182 . 0 0 "[ . 1 . 2]" 1
1142 1 60 TYR QE 1 64 GLU HG3 . . 5.020 3.656 2.899 5.024 0.004 19 0 "[ . 1 . 2]" 1
1143 1 60 TYR QE 1 67 CYS QB . . 4.030 3.372 2.997 3.862 . 0 0 "[ . 1 . 2]" 1
1144 1 60 TYR QE 1 82 VAL MG2 . . 4.850 4.142 3.639 4.708 . 0 0 "[ . 1 . 2]" 1
1145 1 61 VAL H 1 61 VAL HB . . 3.590 3.144 2.806 3.620 0.030 4 0 "[ . 1 . 2]" 1
1146 1 61 VAL H 1 61 VAL MG1 . . 4.230 3.481 2.245 3.996 . 0 0 "[ . 1 . 2]" 1
1147 1 61 VAL H 1 61 VAL QG . . 3.670 2.790 2.232 3.057 . 0 0 "[ . 1 . 2]" 1
1148 1 61 VAL H 1 61 VAL MG2 . . 4.230 3.352 3.011 4.036 . 0 0 "[ . 1 . 2]" 1
1149 1 61 VAL H 1 62 GLY H . . 4.920 4.075 3.982 4.226 . 0 0 "[ . 1 . 2]" 1
1150 1 61 VAL HA 1 61 VAL MG1 . . 3.400 2.607 2.240 3.199 . 0 0 "[ . 1 . 2]" 1
1151 1 61 VAL HA 1 61 VAL MG2 . . 3.400 2.364 2.250 2.453 . 0 0 "[ . 1 . 2]" 1
1152 1 61 VAL HA 1 62 GLY H . . 3.030 2.151 2.145 2.191 . 0 0 "[ . 1 . 2]" 1
1153 1 61 VAL HA 1 62 GLY HA2 . . 5.060 4.414 4.402 4.469 . 0 0 "[ . 1 . 2]" 1
1154 1 61 VAL HA 1 85 PHE QE . . 4.710 4.046 3.815 4.277 . 0 0 "[ . 1 . 2]" 1
1155 1 61 VAL HB 1 62 GLY H . . 4.860 4.201 3.999 4.293 . 0 0 "[ . 1 . 2]" 1
1156 1 61 VAL HB 1 85 PHE QE . . 5.500 5.135 4.035 5.510 0.010 13 0 "[ . 1 . 2]" 1
1157 1 61 VAL QG 1 62 GLY HA2 . . 4.290 3.176 3.028 3.396 . 0 0 "[ . 1 . 2]" 1
1158 1 61 VAL QG 1 85 PHE QD . . 4.290 3.802 2.932 4.179 . 0 0 "[ . 1 . 2]" 1
1159 1 61 VAL QG 1 85 PHE QE . . 3.930 2.366 1.783 2.669 . 0 0 "[ . 1 . 2]" 1
1160 1 61 VAL QG 1 85 PHE HZ . . 5.240 2.998 2.721 3.483 . 0 0 "[ . 1 . 2]" 1
1161 1 61 VAL MG1 1 62 GLY H . . 4.170 3.066 2.388 4.168 . 0 0 "[ . 1 . 2]" 1
1162 1 61 VAL MG1 1 85 PHE QD . . 5.500 4.660 4.178 5.584 0.084 20 0 "[ . 1 . 2]" 1
1163 1 61 VAL MG2 1 62 GLY H . . 4.170 3.614 2.310 4.118 . 0 0 "[ . 1 . 2]" 1
1164 1 61 VAL MG2 1 85 PHE QD . . 5.500 4.661 2.943 5.489 . 0 0 "[ . 1 . 2]" 1
1165 1 62 GLY H 1 63 LYS H . . 4.630 4.202 3.954 4.340 . 0 0 "[ . 1 . 2]" 1
1166 1 62 GLY H 1 85 PHE QE . . 4.420 3.475 3.123 3.873 . 0 0 "[ . 1 . 2]" 1
1167 1 62 GLY HA2 1 63 LYS H . . 3.170 2.985 2.822 3.174 0.004 4 0 "[ . 1 . 2]" 1
1168 1 62 GLY HA2 1 63 LYS HB3 . . 4.870 4.558 4.331 4.748 . 0 0 "[ . 1 . 2]" 1
1169 1 62 GLY HA2 1 85 PHE QE . . 5.500 4.676 3.853 5.184 . 0 0 "[ . 1 . 2]" 1
1170 1 62 GLY HA2 1 85 PHE HZ . . 5.500 4.664 4.108 5.183 . 0 0 "[ . 1 . 2]" 1
1171 1 62 GLY HA3 1 63 LYS H . . 3.160 2.228 2.144 2.332 . 0 0 "[ . 1 . 2]" 1
1172 1 63 LYS H 1 63 LYS HB2 . . 3.950 3.755 3.680 3.844 . 0 0 "[ . 1 . 2]" 1
1173 1 63 LYS H 1 63 LYS HB3 . . 3.330 3.261 3.056 3.360 0.030 10 0 "[ . 1 . 2]" 1
1174 1 63 LYS H 1 63 LYS QE . . 4.730 4.111 2.391 4.750 0.020 20 0 "[ . 1 . 2]" 1
1175 1 63 LYS H 1 63 LYS HG2 . . 3.800 2.715 2.020 3.631 . 0 0 "[ . 1 . 2]" 1
1176 1 63 LYS H 1 63 LYS QG . . 3.300 2.164 1.884 2.454 . 0 0 "[ . 1 . 2]" 1
1177 1 63 LYS H 1 63 LYS HG3 . . 3.800 2.927 1.891 3.802 0.002 11 0 "[ . 1 . 2]" 1
1178 1 63 LYS H 1 64 GLU H . . 3.330 2.354 1.791 3.106 . 0 0 "[ . 1 . 2]" 1
1179 1 63 LYS H 1 64 GLU QG . . 4.310 3.247 2.543 4.072 . 0 0 "[ . 1 . 2]" 1
1180 1 63 LYS HA 1 63 LYS QD . . 4.330 3.892 3.481 4.383 0.053 12 0 "[ . 1 . 2]" 1
1181 1 63 LYS HB2 1 63 LYS QD . . 3.870 2.726 2.034 3.447 . 0 0 "[ . 1 . 2]" 1
1182 1 63 LYS HB2 1 63 LYS QE . . 4.770 3.423 2.242 4.417 . 0 0 "[ . 1 . 2]" 1
1183 1 63 LYS HB3 1 63 LYS QD . . 3.370 2.661 2.138 3.413 0.043 8 0 "[ . 1 . 2]" 1
1184 1 63 LYS HB3 1 63 LYS QE . . 4.770 3.434 2.028 4.389 . 0 0 "[ . 1 . 2]" 1
1185 1 63 LYS HB3 1 64 GLU H . . 4.850 4.555 4.080 4.655 . 0 0 "[ . 1 . 2]" 1
1186 1 63 LYS QD 1 64 GLU QG . . 5.180 4.250 2.886 5.173 . 0 0 "[ . 1 . 2]" 1
1187 1 63 LYS QE 1 63 LYS QG . . 3.350 2.226 2.056 2.660 . 0 0 "[ . 1 . 2]" 1
1188 1 63 LYS QG 1 64 GLU QG . . 4.610 3.481 2.270 4.099 . 0 0 "[ . 1 . 2]" 1
1189 1 64 GLU H 1 64 GLU HB2 . . 4.020 2.445 2.180 2.751 . 0 0 "[ . 1 . 2]" 1
1190 1 64 GLU H 1 64 GLU QB . . 3.430 2.406 2.159 2.676 . 0 0 "[ . 1 . 2]" 1
1191 1 64 GLU H 1 64 GLU HB3 . . 4.020 3.613 3.482 3.738 . 0 0 "[ . 1 . 2]" 1
1192 1 64 GLU H 1 64 GLU HG2 . . 4.060 3.213 2.204 3.911 . 0 0 "[ . 1 . 2]" 1
1193 1 64 GLU H 1 64 GLU QG . . 3.500 2.651 2.002 3.117 . 0 0 "[ . 1 . 2]" 1
1194 1 64 GLU H 1 64 GLU HG3 . . 4.060 3.187 2.019 3.980 . 0 0 "[ . 1 . 2]" 1
1195 1 64 GLU H 1 65 THR H . . 4.980 4.551 4.472 4.620 . 0 0 "[ . 1 . 2]" 1
1196 1 64 GLU HA 1 64 GLU HG2 . . 3.760 2.633 2.159 3.524 . 0 0 "[ . 1 . 2]" 1
1197 1 64 GLU HA 1 64 GLU HG3 . . 3.760 3.404 2.339 3.798 0.038 20 0 "[ . 1 . 2]" 1
1198 1 64 GLU HA 1 65 THR H . . 3.040 2.482 2.372 2.542 . 0 0 "[ . 1 . 2]" 1
1199 1 64 GLU HA 1 66 MET H . . 4.160 4.110 4.024 4.165 0.005 18 0 "[ . 1 . 2]" 1
1200 1 64 GLU QB 1 65 THR H . . 3.180 2.252 2.110 2.460 . 0 0 "[ . 1 . 2]" 1
1201 1 64 GLU QB 1 66 MET H . . 3.190 2.386 2.148 2.572 . 0 0 "[ . 1 . 2]" 1
1202 1 64 GLU HB2 1 65 THR H . . 3.770 3.518 3.179 3.707 . 0 0 "[ . 1 . 2]" 1
1203 1 64 GLU HB3 1 65 THR H . . 3.770 2.281 2.126 2.518 . 0 0 "[ . 1 . 2]" 1
1204 1 64 GLU QG 1 65 THR H . . 4.300 3.921 3.325 4.259 . 0 0 "[ . 1 . 2]" 1
1205 1 64 GLU QG 1 66 MET H . . 4.680 4.454 4.206 4.672 . 0 0 "[ . 1 . 2]" 1
1206 1 64 GLU HG2 1 65 THR H . . 4.950 4.248 3.415 4.775 . 0 0 "[ . 1 . 2]" 1
1207 1 64 GLU HG2 1 66 MET H . . 5.380 5.061 4.436 5.397 0.017 8 0 "[ . 1 . 2]" 1
1208 1 64 GLU HG3 1 65 THR H . . 4.950 4.696 4.047 4.946 . 0 0 "[ . 1 . 2]" 1
1209 1 64 GLU HG3 1 66 MET H . . 5.380 5.015 4.598 5.384 0.004 16 0 "[ . 1 . 2]" 1
1210 1 65 THR H 1 65 THR MG . . 3.510 2.728 1.903 3.592 0.082 19 0 "[ . 1 . 2]" 1
1211 1 65 THR H 1 66 MET H . . 3.010 2.129 1.884 2.546 . 0 0 "[ . 1 . 2]" 1
1212 1 65 THR H 1 66 MET QB . . 4.840 3.881 3.661 4.136 . 0 0 "[ . 1 . 2]" 1
1213 1 65 THR HA 1 65 THR MG . . 3.280 2.607 2.216 3.203 . 0 0 "[ . 1 . 2]" 1
1214 1 65 THR HA 1 66 MET H . . 3.570 3.227 2.952 3.419 . 0 0 "[ . 1 . 2]" 1
1215 1 65 THR HB 1 66 MET H . . 5.020 4.202 3.288 4.574 . 0 0 "[ . 1 . 2]" 1
1216 1 65 THR MG 1 66 MET H . . 4.180 3.820 2.597 4.187 0.007 14 0 "[ . 1 . 2]" 1
1217 1 66 MET H 1 66 MET HB2 . . 4.170 3.351 3.072 3.608 . 0 0 "[ . 1 . 2]" 1
1218 1 66 MET H 1 66 MET QB . . 3.450 2.748 2.510 2.893 . 0 0 "[ . 1 . 2]" 1
1219 1 66 MET H 1 66 MET HB3 . . 4.170 2.948 2.611 3.229 . 0 0 "[ . 1 . 2]" 1
1220 1 66 MET H 1 66 MET QG . . 4.220 4.140 3.881 4.283 0.063 17 0 "[ . 1 . 2]" 1
1221 1 66 MET H 1 67 CYS H . . 4.540 4.089 3.835 4.288 . 0 0 "[ . 1 . 2]" 1
1222 1 66 MET HA 1 66 MET ME . . 5.030 4.553 2.947 4.863 . 0 0 "[ . 1 . 2]" 1
1223 1 66 MET HA 1 66 MET QG . . 3.880 2.451 2.149 3.105 . 0 0 "[ . 1 . 2]" 1
1224 1 66 MET HA 1 67 CYS H . . 2.950 2.157 2.141 2.207 . 0 0 "[ . 1 . 2]" 1
1225 1 66 MET QB 1 66 MET ME . . 3.480 3.063 2.330 3.468 . 0 0 "[ . 1 . 2]" 1
1226 1 66 MET QB 1 67 CYS H . . 3.900 3.759 3.528 3.882 . 0 0 "[ . 1 . 2]" 1
1227 1 66 MET HB2 1 66 MET ME . . 3.980 3.657 3.161 3.989 0.009 8 0 "[ . 1 . 2]" 1
1228 1 66 MET HB2 1 67 CYS H . . 4.540 4.260 3.954 4.560 0.020 20 0 "[ . 1 . 2]" 1
1229 1 66 MET HB3 1 66 MET ME . . 3.980 3.387 2.382 3.992 0.012 16 0 "[ . 1 . 2]" 1
1230 1 66 MET HB3 1 67 CYS H . . 4.540 4.207 3.746 4.502 . 0 0 "[ . 1 . 2]" 1
1231 1 66 MET ME 1 67 CYS H . . 5.120 4.798 2.291 5.106 . 0 0 "[ . 1 . 2]" 1
1232 1 66 MET ME 1 67 CYS HA . . 5.500 5.031 1.989 5.494 . 0 0 "[ . 1 . 2]" 1
1233 1 66 MET QG 1 67 CYS H . . 3.620 2.876 2.254 3.503 . 0 0 "[ . 1 . 2]" 1
1234 1 67 CYS H 1 67 CYS QB . . 3.690 2.674 2.534 2.738 . 0 0 "[ . 1 . 2]" 1
1235 1 67 CYS HA 1 68 THR H . . 2.950 2.198 2.148 2.217 . 0 0 "[ . 1 . 2]" 1
1236 1 67 CYS HA 1 68 THR HB . . 4.790 4.527 4.277 4.736 . 0 0 "[ . 1 . 2]" 1
1237 1 67 CYS QB 1 68 THR H . . 3.980 3.554 3.015 3.738 . 0 0 "[ . 1 . 2]" 1
1238 1 67 CYS HB2 1 68 THR H . . 4.830 4.151 3.989 4.341 . 0 0 "[ . 1 . 2]" 1
1239 1 67 CYS HB3 1 68 THR H . . 4.830 3.902 3.085 4.255 . 0 0 "[ . 1 . 2]" 1
1240 1 68 THR H 1 68 THR HB . . 3.140 2.794 2.589 3.050 . 0 0 "[ . 1 . 2]" 1
1241 1 68 THR HA 1 68 THR MG . . 3.250 2.656 2.187 3.203 . 0 0 "[ . 1 . 2]" 1
1242 1 68 THR HA 1 69 VAL H . . 3.060 2.237 2.144 2.319 . 0 0 "[ . 1 . 2]" 1
1243 1 68 THR HA 1 69 VAL HB . . 4.830 4.516 4.344 4.892 0.062 18 0 "[ . 1 . 2]" 1
1244 1 68 THR HA 1 69 VAL QG . . 4.250 3.658 3.131 3.906 . 0 0 "[ . 1 . 2]" 1
1245 1 68 THR HB 1 69 VAL H . . 4.460 3.993 3.828 4.174 . 0 0 "[ . 1 . 2]" 1
1246 1 68 THR MG 1 69 VAL H . . 3.490 2.759 1.981 3.496 0.006 11 0 "[ . 1 . 2]" 1
1247 1 68 THR MG 1 69 VAL HA . . 4.640 3.859 3.592 4.046 . 0 0 "[ . 1 . 2]" 1
1248 1 68 THR MG 1 70 ASP H . . 5.000 4.671 4.463 4.885 . 0 0 "[ . 1 . 2]" 1
1249 1 68 THR MG 1 70 ASP HB2 . . 5.240 4.292 3.977 4.516 . 0 0 "[ . 1 . 2]" 1
1250 1 68 THR MG 1 70 ASP QB . . 4.410 4.063 3.801 4.265 . 0 0 "[ . 1 . 2]" 1
1251 1 68 THR MG 1 70 ASP HB3 . . 5.240 5.030 4.674 5.245 0.005 14 0 "[ . 1 . 2]" 1
1252 1 69 VAL H 1 69 VAL HB . . 3.770 2.848 2.681 2.999 . 0 0 "[ . 1 . 2]" 1
1253 1 69 VAL H 1 69 VAL QG . . 3.380 1.991 1.870 2.189 . 0 0 "[ . 1 . 2]" 1
1254 1 69 VAL H 1 70 ASP H . . 4.790 4.533 4.494 4.560 . 0 0 "[ . 1 . 2]" 1
1255 1 69 VAL HA 1 69 VAL MG1 . . 3.480 3.045 2.145 3.203 . 0 0 "[ . 1 . 2]" 1
1256 1 69 VAL HA 1 69 VAL QG . . 2.970 2.226 2.041 2.357 . 0 0 "[ . 1 . 2]" 1
1257 1 69 VAL HA 1 69 VAL MG2 . . 3.480 2.340 2.175 2.561 . 0 0 "[ . 1 . 2]" 1
1258 1 69 VAL HA 1 70 ASP H . . 2.820 2.246 2.170 2.309 . 0 0 "[ . 1 . 2]" 1
1259 1 69 VAL HA 1 70 ASP HB2 . . 4.890 4.796 4.646 4.876 . 0 0 "[ . 1 . 2]" 1
1260 1 69 VAL HA 1 70 ASP HB3 . . 4.890 4.226 4.173 4.339 . 0 0 "[ . 1 . 2]" 1
1261 1 69 VAL HB 1 70 ASP H . . 4.180 3.963 3.602 4.108 . 0 0 "[ . 1 . 2]" 1
1262 1 69 VAL HB 1 72 LEU MD1 . . 4.640 4.007 1.904 4.602 . 0 0 "[ . 1 . 2]" 1
1263 1 69 VAL HB 1 72 LEU MD2 . . 4.390 3.935 2.472 4.330 . 0 0 "[ . 1 . 2]" 1
1264 1 69 VAL HB 1 72 LEU HG . . 5.500 4.811 2.006 5.453 . 0 0 "[ . 1 . 2]" 1
1265 1 69 VAL QG 1 70 ASP H . . 3.690 2.018 1.879 2.454 . 0 0 "[ . 1 . 2]" 1
1266 1 69 VAL QG 1 70 ASP QB . . 5.010 3.773 3.688 3.934 . 0 0 "[ . 1 . 2]" 1
1267 1 69 VAL QG 1 72 LEU MD1 . . 3.390 1.927 1.787 2.396 . 0 0 "[ . 1 . 2]" 1
1268 1 69 VAL QG 1 72 LEU MD2 . . 3.160 1.944 1.737 2.199 . 0 0 "[ . 1 . 2]" 1
1269 1 69 VAL MG1 1 72 LEU H . . 5.500 4.824 3.421 5.421 . 0 0 "[ . 1 . 2]" 1
1270 1 69 VAL MG1 1 72 LEU MD1 . . 3.980 2.028 1.798 3.058 . 0 0 "[ . 1 . 2]" 1
1271 1 69 VAL MG1 1 72 LEU MD2 . . 3.790 2.143 1.765 2.740 . 0 0 "[ . 1 . 2]" 1
1272 1 69 VAL MG2 1 72 LEU H . . 5.500 5.204 4.870 5.581 0.081 11 0 "[ . 1 . 2]" 1
1273 1 69 VAL MG2 1 72 LEU MD1 . . 3.980 3.271 2.435 3.772 . 0 0 "[ . 1 . 2]" 1
1274 1 69 VAL MG2 1 72 LEU MD2 . . 3.790 2.380 1.954 2.719 . 0 0 "[ . 1 . 2]" 1
1275 1 70 ASP H 1 70 ASP HB2 . . 3.900 3.384 3.291 3.458 . 0 0 "[ . 1 . 2]" 1
1276 1 70 ASP H 1 70 ASP HB3 . . 3.900 2.454 2.375 2.536 . 0 0 "[ . 1 . 2]" 1
1277 1 70 ASP HA 1 71 GLY H . . 3.210 2.235 2.187 2.245 . 0 0 "[ . 1 . 2]" 1
1278 1 70 ASP HA 1 72 LEU H . . 4.380 4.211 3.253 4.391 0.011 8 0 "[ . 1 . 2]" 1
1279 1 70 ASP HA 1 72 LEU HG . . 4.850 3.931 3.705 4.063 . 0 0 "[ . 1 . 2]" 1
1280 1 70 ASP QB 1 71 GLY H . . 3.590 3.498 3.460 3.579 . 0 0 "[ . 1 . 2]" 1
1281 1 70 ASP QB 1 71 GLY QA . . 4.760 4.318 4.257 4.372 . 0 0 "[ . 1 . 2]" 1
1282 1 70 ASP HB2 1 71 GLY H . . 4.340 3.752 3.687 3.863 . 0 0 "[ . 1 . 2]" 1
1283 1 70 ASP HB3 1 71 GLY H . . 4.340 4.184 4.084 4.310 . 0 0 "[ . 1 . 2]" 1
1284 1 71 GLY H 1 72 LEU H . . 3.460 2.682 2.413 2.737 . 0 0 "[ . 1 . 2]" 1
1285 1 71 GLY H 1 72 LEU HG . . 4.390 3.933 3.626 4.434 0.044 18 0 "[ . 1 . 2]" 1
1286 1 72 LEU H 1 72 LEU HB2 . . 3.960 2.468 2.356 2.577 . 0 0 "[ . 1 . 2]" 1
1287 1 72 LEU H 1 72 LEU MD1 . . 3.970 3.849 3.549 3.977 0.007 12 0 "[ . 1 . 2]" 1
1288 1 72 LEU H 1 72 LEU MD2 . . 4.060 3.861 3.331 4.059 . 0 0 "[ . 1 . 2]" 1
1289 1 72 LEU H 1 72 LEU HG . . 3.260 2.906 2.435 3.087 . 0 0 "[ . 1 . 2]" 1
1290 1 72 LEU H 1 73 HIS H . . 4.540 4.451 4.390 4.542 0.002 18 0 "[ . 1 . 2]" 1
1291 1 72 LEU HA 1 72 LEU MD1 . . 4.400 3.873 3.801 3.910 . 0 0 "[ . 1 . 2]" 1
1292 1 72 LEU HA 1 72 LEU MD2 . . 3.140 2.050 1.962 2.201 . 0 0 "[ . 1 . 2]" 1
1293 1 72 LEU HA 1 72 LEU HG . . 4.070 2.979 2.874 3.172 . 0 0 "[ . 1 . 2]" 1
1294 1 72 LEU HA 1 73 HIS H . . 3.200 2.190 2.149 2.502 . 0 0 "[ . 1 . 2]" 1
1295 1 72 LEU HA 1 73 HIS QB . . 4.730 4.220 4.053 4.459 . 0 0 "[ . 1 . 2]" 1
1296 1 72 LEU HA 1 78 TYR QE . . 4.330 4.258 4.010 4.340 0.010 16 0 "[ . 1 . 2]" 1
1297 1 72 LEU HB2 1 73 HIS H . . 4.650 4.148 3.557 4.312 . 0 0 "[ . 1 . 2]" 1
1298 1 72 LEU HB2 1 78 TYR QE . . 5.500 5.291 4.885 5.505 0.005 11 0 "[ . 1 . 2]" 1
1299 1 72 LEU HB3 1 73 HIS H . . 4.580 3.122 2.192 3.315 . 0 0 "[ . 1 . 2]" 1
1300 1 72 LEU HB3 1 78 TYR QE . . 4.700 3.822 3.426 4.112 . 0 0 "[ . 1 . 2]" 1
1301 1 72 LEU MD1 1 78 TYR QD . . 4.860 4.552 4.187 4.789 . 0 0 "[ . 1 . 2]" 1
1302 1 72 LEU MD1 1 78 TYR QE . . 5.120 4.893 4.655 5.116 . 0 0 "[ . 1 . 2]" 1
1303 1 72 LEU MD1 1 99 LEU QD . . 4.550 3.361 2.778 4.057 . 0 0 "[ . 1 . 2]" 1
1304 1 72 LEU MD2 1 73 HIS H . . 4.190 3.313 2.949 3.632 . 0 0 "[ . 1 . 2]" 1
1305 1 72 LEU MD2 1 78 TYR QD . . 4.610 3.706 2.723 4.029 . 0 0 "[ . 1 . 2]" 1
1306 1 72 LEU MD2 1 78 TYR QE . . 3.880 3.410 2.603 3.778 . 0 0 "[ . 1 . 2]" 1
1307 1 72 LEU MD2 1 99 LEU QD . . 4.910 4.089 3.313 4.893 . 0 0 "[ . 1 . 2]" 1
1308 1 72 LEU MD2 1 101 THR MG . . 4.900 4.340 3.824 4.763 . 0 0 "[ . 1 . 2]" 1
1309 1 73 HIS H 1 73 HIS QB . . 3.350 2.253 2.141 2.435 . 0 0 "[ . 1 . 2]" 1
1310 1 73 HIS H 1 73 HIS HD2 . . 4.610 3.476 2.030 4.620 0.010 12 0 "[ . 1 . 2]" 1
1311 1 73 HIS H 1 78 TYR QE . . 3.720 3.035 2.568 3.459 . 0 0 "[ . 1 . 2]" 1
1312 1 73 HIS HA 1 73 HIS HD2 . . 4.050 3.013 2.179 3.789 . 0 0 "[ . 1 . 2]" 1
1313 1 73 HIS HA 1 74 PHE H . . 3.490 2.336 2.171 2.544 . 0 0 "[ . 1 . 2]" 1
1314 1 73 HIS QB 1 74 PHE H . . 4.210 2.883 2.182 3.608 . 0 0 "[ . 1 . 2]" 1
1315 1 73 HIS QB 1 76 SER HB2 . . 4.520 2.988 2.589 3.550 . 0 0 "[ . 1 . 2]" 1
1316 1 73 HIS QB 1 76 SER QB . . 3.980 2.893 2.523 3.170 . 0 0 "[ . 1 . 2]" 1
1317 1 73 HIS QB 1 76 SER HB3 . . 4.520 3.937 3.461 4.286 . 0 0 "[ . 1 . 2]" 1
1318 1 73 HIS QB 1 78 TYR QE . . 4.080 2.200 1.976 2.841 . 0 0 "[ . 1 . 2]" 1
1319 1 74 PHE H 1 74 PHE QB . . 3.620 2.782 2.298 3.163 . 0 0 "[ . 1 . 2]" 1
1320 1 74 PHE H 1 74 PHE QD . . 4.600 2.632 1.919 3.596 . 0 0 "[ . 1 . 2]" 1
1321 1 74 PHE H 1 75 ASN H . . 4.880 4.501 4.458 4.571 . 0 0 "[ . 1 . 2]" 1
1322 1 74 PHE HA 1 74 PHE QD . . 3.670 3.294 2.335 3.682 0.012 7 0 "[ . 1 . 2]" 1
1323 1 74 PHE HA 1 75 ASN H . . 3.250 2.478 2.263 2.571 . 0 0 "[ . 1 . 2]" 1
1324 1 74 PHE HA 1 76 SER H . . 4.020 3.546 3.258 3.881 . 0 0 "[ . 1 . 2]" 1
1325 1 74 PHE HA 1 101 THR HG1 . . 4.290 2.941 2.048 3.919 . 0 0 "[ . 1 . 2]" 1
1326 1 74 PHE HA 1 101 THR MG . . 4.560 3.053 2.584 3.604 . 0 0 "[ . 1 . 2]" 1
1327 1 74 PHE QB 1 75 ASN H . . 3.310 2.276 2.067 2.752 . 0 0 "[ . 1 . 2]" 1
1328 1 74 PHE QB 1 101 THR MG . . 5.340 4.342 3.629 5.104 . 0 0 "[ . 1 . 2]" 1
1329 1 74 PHE QB 1 103 GLU HA . . 4.050 3.393 2.689 4.014 . 0 0 "[ . 1 . 2]" 1
1330 1 74 PHE QB 1 104 GLY H . . 4.650 3.331 2.188 4.645 . 0 0 "[ . 1 . 2]" 1
1331 1 74 PHE HB2 1 75 ASN H . . 3.940 2.793 2.087 3.858 . 0 0 "[ . 1 . 2]" 1
1332 1 74 PHE HB3 1 75 ASN H . . 3.940 3.004 2.126 3.794 . 0 0 "[ . 1 . 2]" 1
1333 1 74 PHE QD 1 75 ASN H . . 4.350 3.657 3.025 4.217 . 0 0 "[ . 1 . 2]" 1
1334 1 74 PHE QD 1 101 THR MG . . 5.500 4.778 2.942 5.482 . 0 0 "[ . 1 . 2]" 1
1335 1 74 PHE QD 1 104 GLY H . . 4.630 3.665 2.059 4.623 . 0 0 "[ . 1 . 2]" 1
1336 1 74 PHE QD 1 104 GLY HA2 . . 5.060 3.463 2.130 4.764 . 0 0 "[ . 1 . 2]" 1
1337 1 74 PHE QD 1 104 GLY QA . . 4.320 3.016 1.961 3.777 . 0 0 "[ . 1 . 2]" 1
1338 1 74 PHE QD 1 104 GLY HA3 . . 5.060 3.633 2.291 5.054 . 0 0 "[ . 1 . 2]" 1
1339 1 75 ASN H 1 76 SER H . . 3.460 2.903 2.497 3.085 . 0 0 "[ . 1 . 2]" 1
1340 1 75 ASN H 1 101 THR HG1 . . 4.190 3.426 2.781 4.002 . 0 0 "[ . 1 . 2]" 1
1341 1 75 ASN H 1 101 THR MG . . 5.420 4.331 4.048 4.688 . 0 0 "[ . 1 . 2]" 1
1342 1 75 ASN H 1 103 GLU HA . . 4.560 3.406 2.899 3.919 . 0 0 "[ . 1 . 2]" 1
1343 1 75 ASN HA 1 76 SER H . . 3.170 2.757 2.625 2.908 . 0 0 "[ . 1 . 2]" 1
1344 1 75 ASN QB 1 75 ASN QD . . 3.030 2.207 2.062 2.721 . 0 0 "[ . 1 . 2]" 1
1345 1 75 ASN QB 1 76 SER H . . 4.100 3.900 3.788 4.045 . 0 0 "[ . 1 . 2]" 1
1346 1 75 ASN QB 1 103 GLU HA . . 4.250 3.076 1.996 4.232 . 0 0 "[ . 1 . 2]" 1
1347 1 75 ASN HB2 1 76 SER H . . 4.660 4.448 4.146 4.615 . 0 0 "[ . 1 . 2]" 1
1348 1 75 ASN HB3 1 76 SER H . . 4.660 4.334 4.114 4.659 . 0 0 "[ . 1 . 2]" 1
1349 1 75 ASN QD 1 103 GLU QG . . 4.750 4.106 2.039 4.714 . 0 0 "[ . 1 . 2]" 1
1350 1 75 ASN HD21 1 103 GLU HA . . 4.780 2.937 1.903 4.078 . 0 0 "[ . 1 . 2]" 1
1351 1 75 ASN HD22 1 103 GLU HA . . 4.780 3.293 1.938 4.703 . 0 0 "[ . 1 . 2]" 1
1352 1 76 SER H 1 76 SER HB2 . . 4.030 2.906 2.731 3.818 . 0 0 "[ . 1 . 2]" 1
1353 1 76 SER H 1 76 SER QB . . 3.270 2.809 2.668 3.243 . 0 0 "[ . 1 . 2]" 1
1354 1 76 SER H 1 76 SER HB3 . . 4.030 3.847 3.508 4.001 . 0 0 "[ . 1 . 2]" 1
1355 1 76 SER H 1 77 THR H . . 4.510 4.204 4.030 4.399 . 0 0 "[ . 1 . 2]" 1
1356 1 76 SER H 1 78 TYR QE . . 4.930 4.716 4.413 4.940 0.010 16 0 "[ . 1 . 2]" 1
1357 1 76 SER H 1 100 GLN HA . . 5.500 5.156 4.533 5.453 . 0 0 "[ . 1 . 2]" 1
1358 1 76 SER H 1 101 THR H . . 3.830 3.608 3.229 3.792 . 0 0 "[ . 1 . 2]" 1
1359 1 76 SER H 1 101 THR HB . . 4.520 3.925 3.570 4.379 . 0 0 "[ . 1 . 2]" 1
1360 1 76 SER H 1 101 THR HG1 . . 3.390 2.086 1.916 2.342 . 0 0 "[ . 1 . 2]" 1
1361 1 76 SER H 1 101 THR MG . . 4.040 3.814 3.591 4.017 . 0 0 "[ . 1 . 2]" 1
1362 1 76 SER HA 1 77 THR H . . 2.800 2.196 2.142 2.474 . 0 0 "[ . 1 . 2]" 1
1363 1 76 SER QB 1 77 THR H . . 3.260 3.046 2.261 3.261 0.001 15 0 "[ . 1 . 2]" 1
1364 1 76 SER QB 1 78 TYR QD . . 3.920 3.643 2.906 3.924 0.004 17 0 "[ . 1 . 2]" 1
1365 1 76 SER QB 1 78 TYR QE . . 3.330 2.884 2.242 3.220 . 0 0 "[ . 1 . 2]" 1
1366 1 76 SER QB 1 101 THR HG1 . . 4.560 3.478 2.962 3.850 . 0 0 "[ . 1 . 2]" 1
1367 1 76 SER QB 1 101 THR MG . . 4.490 4.271 4.038 4.482 . 0 0 "[ . 1 . 2]" 1
1368 1 76 SER HB2 1 78 TYR QD . . 4.480 3.969 2.944 4.465 . 0 0 "[ . 1 . 2]" 1
1369 1 76 SER HB2 1 78 TYR QE . . 4.100 3.001 2.275 3.414 . 0 0 "[ . 1 . 2]" 1
1370 1 76 SER HB3 1 78 TYR QD . . 4.480 4.308 3.864 4.480 . 0 0 "[ . 1 . 2]" 1
1371 1 76 SER HB3 1 78 TYR QE . . 4.100 3.792 3.351 4.085 . 0 0 "[ . 1 . 2]" 1
1372 1 77 THR H 1 77 THR HB . . 3.160 2.649 2.500 2.844 . 0 0 "[ . 1 . 2]" 1
1373 1 77 THR H 1 77 THR MG . . 4.000 3.772 3.713 3.840 . 0 0 "[ . 1 . 2]" 1
1374 1 77 THR H 1 78 TYR H . . 4.700 4.562 4.432 4.624 . 0 0 "[ . 1 . 2]" 1
1375 1 77 THR HB 1 78 TYR H . . 4.650 3.988 3.796 4.239 . 0 0 "[ . 1 . 2]" 1
1376 1 77 THR HB 1 98 VAL QG . . 4.280 4.123 3.832 4.285 0.005 16 0 "[ . 1 . 2]" 1
1377 1 77 THR MG 1 78 TYR H . . 3.320 2.413 1.957 2.920 . 0 0 "[ . 1 . 2]" 1
1378 1 77 THR MG 1 78 TYR QB . . 4.910 4.232 3.948 4.576 . 0 0 "[ . 1 . 2]" 1
1379 1 77 THR MG 1 79 ASN HD21 . . 4.900 4.026 3.201 4.766 . 0 0 "[ . 1 . 2]" 1
1380 1 77 THR MG 1 79 ASN QD . . 4.200 2.940 2.417 3.465 . 0 0 "[ . 1 . 2]" 1
1381 1 77 THR MG 1 79 ASN HD22 . . 4.900 3.024 2.461 3.589 . 0 0 "[ . 1 . 2]" 1
1382 1 77 THR MG 1 100 GLN HA . . 4.220 3.605 3.287 4.021 . 0 0 "[ . 1 . 2]" 1
1383 1 77 THR MG 1 100 GLN HB2 . . 5.500 5.166 4.411 5.527 0.027 16 0 "[ . 1 . 2]" 1
1384 1 77 THR MG 1 100 GLN HE21 . . 4.530 3.004 1.874 3.954 . 0 0 "[ . 1 . 2]" 1
1385 1 77 THR MG 1 100 GLN QE . . 3.720 2.844 1.659 3.657 . 0 0 "[ . 1 . 2]" 1
1386 1 77 THR MG 1 100 GLN HE22 . . 4.530 3.644 1.852 4.521 . 0 0 "[ . 1 . 2]" 1
1387 1 77 THR MG 1 100 GLN QG . . 4.590 2.972 2.063 3.722 . 0 0 "[ . 1 . 2]" 1
1388 1 78 TYR H 1 78 TYR QB . . 3.430 2.430 2.375 2.540 . 0 0 "[ . 1 . 2]" 1
1389 1 78 TYR H 1 78 TYR QD . . 3.690 3.483 3.015 3.699 0.009 16 0 "[ . 1 . 2]" 1
1390 1 78 TYR H 1 79 ASN H . . 4.910 4.418 4.261 4.502 . 0 0 "[ . 1 . 2]" 1
1391 1 78 TYR H 1 98 VAL HA . . 4.580 4.291 4.125 4.544 . 0 0 "[ . 1 . 2]" 1
1392 1 78 TYR H 1 98 VAL QG . . 4.630 2.943 2.651 3.265 . 0 0 "[ . 1 . 2]" 1
1393 1 78 TYR H 1 99 LEU HB2 . . 4.440 3.927 3.627 4.410 . 0 0 "[ . 1 . 2]" 1
1394 1 78 TYR H 1 99 LEU QD . . 4.850 4.187 3.503 4.755 . 0 0 "[ . 1 . 2]" 1
1395 1 78 TYR H 1 100 GLN H . . 5.500 4.644 3.860 5.208 . 0 0 "[ . 1 . 2]" 1
1396 1 78 TYR H 1 100 GLN HA . . 4.040 3.629 2.948 3.982 . 0 0 "[ . 1 . 2]" 1
1397 1 78 TYR H 1 100 GLN QG . . 5.340 4.534 3.589 5.244 . 0 0 "[ . 1 . 2]" 1
1398 1 78 TYR H 1 101 THR H . . 4.870 4.362 3.812 4.794 . 0 0 "[ . 1 . 2]" 1
1399 1 78 TYR QB 1 79 ASN H . . 3.630 2.922 2.371 3.468 . 0 0 "[ . 1 . 2]" 1
1400 1 78 TYR QB 1 79 ASN HA . . 4.930 4.075 3.864 4.289 . 0 0 "[ . 1 . 2]" 1
1401 1 78 TYR QB 1 80 ALA MB . . 4.810 4.105 3.944 4.437 . 0 0 "[ . 1 . 2]" 1
1402 1 78 TYR QB 1 99 LEU H . . 4.540 3.184 2.792 3.563 . 0 0 "[ . 1 . 2]" 1
1403 1 78 TYR QB 1 99 LEU HB2 . . 3.880 2.481 1.935 3.708 . 0 0 "[ . 1 . 2]" 1
1404 1 78 TYR QB 1 99 LEU HB3 . . 4.750 3.906 3.049 4.456 . 0 0 "[ . 1 . 2]" 1
1405 1 78 TYR QB 1 99 LEU QD . . 3.810 2.560 1.837 3.249 . 0 0 "[ . 1 . 2]" 1
1406 1 78 TYR QB 1 99 LEU HG . . 5.100 4.153 1.950 5.076 . 0 0 "[ . 1 . 2]" 1
1407 1 78 TYR QD 1 79 ASN H . . 4.190 3.225 2.866 4.185 . 0 0 "[ . 1 . 2]" 1
1408 1 78 TYR QD 1 99 LEU HB2 . . 4.990 4.276 3.846 4.993 0.003 15 0 "[ . 1 . 2]" 1
1409 1 78 TYR QD 1 99 LEU QD . . 4.740 4.050 3.175 4.747 0.007 14 0 "[ . 1 . 2]" 1
1410 1 78 TYR QD 1 101 THR MG . . 3.500 2.572 2.096 3.109 . 0 0 "[ . 1 . 2]" 1
1411 1 78 TYR QE 1 101 THR HG1 . . 4.520 3.950 2.925 4.497 . 0 0 "[ . 1 . 2]" 1
1412 1 78 TYR QE 1 101 THR MG . . 3.820 3.384 2.577 3.817 . 0 0 "[ . 1 . 2]" 1
1413 1 79 ASN H 1 79 ASN HB2 . . 3.710 2.726 2.498 2.943 . 0 0 "[ . 1 . 2]" 1
1414 1 79 ASN H 1 79 ASN HB3 . . 3.940 3.804 3.695 3.938 . 0 0 "[ . 1 . 2]" 1
1415 1 79 ASN H 1 79 ASN QD . . 4.430 3.653 2.391 4.401 . 0 0 "[ . 1 . 2]" 1
1416 1 79 ASN H 1 80 ALA H . . 4.950 4.208 3.987 4.439 . 0 0 "[ . 1 . 2]" 1
1417 1 79 ASN H 1 80 ALA MB . . 5.110 4.664 4.352 4.883 . 0 0 "[ . 1 . 2]" 1
1418 1 79 ASN H 1 96 THR MG . . 5.480 5.178 4.866 5.481 0.001 15 0 "[ . 1 . 2]" 1
1419 1 79 ASN H 1 99 LEU H . . 5.420 4.852 4.340 5.182 . 0 0 "[ . 1 . 2]" 1
1420 1 79 ASN H 1 99 LEU QD . . 4.510 4.162 3.589 4.514 0.004 16 0 "[ . 1 . 2]" 1
1421 1 79 ASN HA 1 79 ASN QD . . 4.620 3.195 1.903 4.021 . 0 0 "[ . 1 . 2]" 1
1422 1 79 ASN HA 1 80 ALA H . . 2.880 2.146 2.139 2.172 . 0 0 "[ . 1 . 2]" 1
1423 1 79 ASN HA 1 96 THR MG . . 3.640 3.319 2.950 3.601 . 0 0 "[ . 1 . 2]" 1
1424 1 79 ASN HA 1 98 VAL HA . . 3.530 2.576 2.222 2.874 . 0 0 "[ . 1 . 2]" 1
1425 1 79 ASN HA 1 98 VAL MG1 . . 4.540 3.970 3.739 4.550 0.010 16 0 "[ . 1 . 2]" 1
1426 1 79 ASN HA 1 98 VAL MG2 . . 4.540 3.660 3.344 3.991 . 0 0 "[ . 1 . 2]" 1
1427 1 79 ASN HA 1 99 LEU H . . 3.980 3.678 3.314 3.948 . 0 0 "[ . 1 . 2]" 1
1428 1 79 ASN HB2 1 80 ALA H . . 4.500 4.263 4.169 4.458 . 0 0 "[ . 1 . 2]" 1
1429 1 79 ASN HB2 1 96 THR MG . . 3.720 3.493 3.162 3.718 . 0 0 "[ . 1 . 2]" 1
1430 1 79 ASN HB2 1 98 VAL QG . . 5.440 4.747 4.347 5.176 . 0 0 "[ . 1 . 2]" 1
1431 1 79 ASN HB3 1 80 ALA H . . 3.950 3.507 3.167 3.748 . 0 0 "[ . 1 . 2]" 1
1432 1 79 ASN HB3 1 80 ALA HA . . 5.500 4.734 4.438 4.955 . 0 0 "[ . 1 . 2]" 1
1433 1 79 ASN HB3 1 96 THR HB . . 5.240 4.875 4.455 5.209 . 0 0 "[ . 1 . 2]" 1
1434 1 79 ASN HB3 1 96 THR MG . . 3.490 2.149 1.904 2.378 . 0 0 "[ . 1 . 2]" 1
1435 1 79 ASN HB3 1 98 VAL QG . . 4.760 3.975 3.353 4.603 . 0 0 "[ . 1 . 2]" 1
1436 1 79 ASN HB3 1 99 LEU QD . . 5.440 5.207 4.855 5.435 . 0 0 "[ . 1 . 2]" 1
1437 1 79 ASN QD 1 96 THR MG . . 4.570 3.047 2.069 4.508 . 0 0 "[ . 1 . 2]" 1
1438 1 79 ASN QD 1 98 VAL QG . . 4.080 2.752 1.898 3.783 . 0 0 "[ . 1 . 2]" 1
1439 1 79 ASN HD21 1 98 VAL MG1 . . 5.490 4.168 2.630 5.301 . 0 0 "[ . 1 . 2]" 1
1440 1 79 ASN HD21 1 98 VAL MG2 . . 5.490 3.637 2.053 5.480 . 0 0 "[ . 1 . 2]" 1
1441 1 79 ASN HD22 1 98 VAL MG1 . . 5.490 3.586 2.412 4.723 . 0 0 "[ . 1 . 2]" 1
1442 1 79 ASN HD22 1 98 VAL MG2 . . 5.490 3.305 2.178 4.688 . 0 0 "[ . 1 . 2]" 1
1443 1 80 ALA H 1 80 ALA MB . . 3.230 2.455 2.302 2.575 . 0 0 "[ . 1 . 2]" 1
1444 1 80 ALA H 1 81 ARG H . . 4.730 4.485 4.402 4.526 . 0 0 "[ . 1 . 2]" 1
1445 1 80 ALA H 1 81 ARG HA . . 5.480 5.091 4.934 5.190 . 0 0 "[ . 1 . 2]" 1
1446 1 80 ALA H 1 96 THR HA . . 5.500 4.729 4.448 5.061 . 0 0 "[ . 1 . 2]" 1
1447 1 80 ALA H 1 96 THR MG . . 4.070 3.635 3.218 4.075 0.005 16 0 "[ . 1 . 2]" 1
1448 1 80 ALA H 1 97 LEU HB3 . . 4.180 3.357 3.101 3.817 . 0 0 "[ . 1 . 2]" 1
1449 1 80 ALA H 1 97 LEU QD . . 5.440 3.930 3.533 4.273 . 0 0 "[ . 1 . 2]" 1
1450 1 80 ALA H 1 98 VAL HA . . 4.220 3.729 3.454 3.955 . 0 0 "[ . 1 . 2]" 1
1451 1 80 ALA H 1 98 VAL MG1 . . 5.500 5.364 5.181 5.502 0.002 4 0 "[ . 1 . 2]" 1
1452 1 80 ALA H 1 98 VAL MG2 . . 5.500 4.777 4.437 5.408 . 0 0 "[ . 1 . 2]" 1
1453 1 80 ALA H 1 99 LEU QD . . 4.550 2.899 2.329 3.448 . 0 0 "[ . 1 . 2]" 1
1454 1 80 ALA HA 1 81 ARG H . . 2.890 2.410 2.227 2.524 . 0 0 "[ . 1 . 2]" 1
1455 1 80 ALA HA 1 81 ARG HA . . 4.970 4.550 4.429 4.611 . 0 0 "[ . 1 . 2]" 1
1456 1 80 ALA HA 1 96 THR MG . . 5.290 4.978 4.564 5.264 . 0 0 "[ . 1 . 2]" 1
1457 1 80 ALA HA 1 99 LEU QD . . 5.440 4.227 3.702 4.545 . 0 0 "[ . 1 . 2]" 1
1458 1 80 ALA MB 1 81 ARG H . . 3.170 2.442 2.175 2.807 . 0 0 "[ . 1 . 2]" 1
1459 1 80 ALA MB 1 81 ARG HA . . 4.160 3.814 3.714 4.008 . 0 0 "[ . 1 . 2]" 1
1460 1 80 ALA MB 1 82 VAL H . . 5.500 4.952 4.527 5.251 . 0 0 "[ . 1 . 2]" 1
1461 1 80 ALA MB 1 97 LEU HA . . 5.500 5.397 4.981 5.502 0.002 7 0 "[ . 1 . 2]" 1
1462 1 80 ALA MB 1 97 LEU HB3 . . 3.370 3.045 2.545 3.365 . 0 0 "[ . 1 . 2]" 1
1463 1 80 ALA MB 1 98 VAL HA . . 5.500 5.082 4.897 5.212 . 0 0 "[ . 1 . 2]" 1
1464 1 80 ALA MB 1 99 LEU QD . . 2.910 2.224 1.830 2.558 . 0 0 "[ . 1 . 2]" 1
1465 1 81 ARG H 1 81 ARG QG . . 3.440 2.551 2.133 2.842 . 0 0 "[ . 1 . 2]" 1
1466 1 81 ARG H 1 82 VAL H . . 4.750 4.101 3.886 4.386 . 0 0 "[ . 1 . 2]" 1
1467 1 81 ARG H 1 97 LEU QD . . 5.440 5.073 4.448 5.443 0.003 10 0 "[ . 1 . 2]" 1
1468 1 81 ARG HA 1 81 ARG QD . . 4.670 4.369 4.166 4.667 . 0 0 "[ . 1 . 2]" 1
1469 1 81 ARG HA 1 82 VAL H . . 3.060 2.173 2.140 2.235 . 0 0 "[ . 1 . 2]" 1
1470 1 81 ARG HA 1 82 VAL MG1 . . 5.020 3.968 3.593 4.234 . 0 0 "[ . 1 . 2]" 1
1471 1 81 ARG HA 1 94 SER HG . . 4.280 3.707 2.690 4.289 0.009 13 0 "[ . 1 . 2]" 1
1472 1 81 ARG HA 1 97 LEU HB2 . . 5.200 4.804 4.192 5.144 . 0 0 "[ . 1 . 2]" 1
1473 1 81 ARG HA 1 97 LEU HB3 . . 4.800 4.017 3.474 4.429 . 0 0 "[ . 1 . 2]" 1
1474 1 81 ARG HA 1 97 LEU QD . . 4.940 4.516 3.871 4.938 . 0 0 "[ . 1 . 2]" 1
1475 1 81 ARG QB 1 81 ARG QD . . 3.500 2.261 2.076 2.558 . 0 0 "[ . 1 . 2]" 1
1476 1 81 ARG QB 1 82 VAL H . . 3.690 3.129 2.824 3.418 . 0 0 "[ . 1 . 2]" 1
1477 1 81 ARG QB 1 93 TYR QB . . 3.850 2.044 1.958 2.375 . 0 0 "[ . 1 . 2]" 1
1478 1 81 ARG QB 1 93 TYR QD . . 4.080 3.257 1.989 3.903 . 0 0 "[ . 1 . 2]" 1
1479 1 81 ARG QB 1 94 SER H . . 4.490 2.928 2.591 3.488 . 0 0 "[ . 1 . 2]" 1
1480 1 81 ARG HB2 1 82 VAL H . . 4.420 3.237 2.891 3.619 . 0 0 "[ . 1 . 2]" 1
1481 1 81 ARG HB2 1 94 SER H . . 5.340 2.970 2.614 3.553 . 0 0 "[ . 1 . 2]" 1
1482 1 81 ARG HB3 1 82 VAL H . . 4.420 4.182 3.956 4.426 0.006 6 0 "[ . 1 . 2]" 1
1483 1 81 ARG HB3 1 94 SER H . . 5.340 4.532 3.646 5.081 . 0 0 "[ . 1 . 2]" 1
1484 1 81 ARG QD 1 93 TYR H . . 5.150 4.917 4.585 5.153 0.003 5 0 "[ . 1 . 2]" 1
1485 1 81 ARG QD 1 93 TYR HA . . 4.770 4.542 4.298 4.772 0.002 6 0 "[ . 1 . 2]" 1
1486 1 81 ARG QD 1 93 TYR HB2 . . 3.940 2.940 2.301 3.584 . 0 0 "[ . 1 . 2]" 1
1487 1 81 ARG QD 1 93 TYR HB3 . . 3.940 2.443 1.989 3.088 . 0 0 "[ . 1 . 2]" 1
1488 1 81 ARG QD 1 93 TYR QD . . 3.680 3.030 2.634 3.434 . 0 0 "[ . 1 . 2]" 1
1489 1 81 ARG QD 1 93 TYR QE . . 4.770 3.967 3.031 4.772 0.002 16 0 "[ . 1 . 2]" 1
1490 1 81 ARG QD 1 94 SER H . . 5.500 4.794 4.336 5.356 . 0 0 "[ . 1 . 2]" 1
1491 1 81 ARG HE 1 93 TYR QE . . 4.640 3.850 3.098 4.618 . 0 0 "[ . 1 . 2]" 1
1492 1 81 ARG QG 1 81 ARG QH1 . . 4.000 3.429 1.936 3.832 . 0 0 "[ . 1 . 2]" 1
1493 1 81 ARG QG 1 93 TYR QD . . 3.620 2.447 2.084 3.254 . 0 0 "[ . 1 . 2]" 1
1494 1 81 ARG QG 1 93 TYR QE . . 3.900 3.467 3.066 3.653 . 0 0 "[ . 1 . 2]" 1
1495 1 81 ARG QG 1 94 SER H . . 4.990 4.256 3.636 4.986 . 0 0 "[ . 1 . 2]" 1
1496 1 81 ARG HG2 1 81 ARG QH1 . . 4.550 3.783 1.949 4.401 . 0 0 "[ . 1 . 2]" 1
1497 1 81 ARG HG2 1 93 TYR QD . . 4.420 4.015 3.696 4.428 0.008 8 0 "[ . 1 . 2]" 1
1498 1 81 ARG HG3 1 81 ARG QH1 . . 4.550 4.087 3.337 4.370 . 0 0 "[ . 1 . 2]" 1
1499 1 81 ARG HG3 1 93 TYR QD . . 4.420 2.472 2.095 3.348 . 0 0 "[ . 1 . 2]" 1
1500 1 82 VAL H 1 82 VAL HB . . 3.490 2.857 2.619 3.044 . 0 0 "[ . 1 . 2]" 1
1501 1 82 VAL H 1 82 VAL MG1 . . 3.600 2.204 1.940 2.411 . 0 0 "[ . 1 . 2]" 1
1502 1 82 VAL H 1 82 VAL MG2 . . 4.690 3.870 3.831 3.924 . 0 0 "[ . 1 . 2]" 1
1503 1 82 VAL H 1 93 TYR QD . . 4.810 4.495 3.995 4.813 0.003 1 0 "[ . 1 . 2]" 1
1504 1 82 VAL H 1 94 SER H . . 3.740 3.305 2.841 3.655 . 0 0 "[ . 1 . 2]" 1
1505 1 82 VAL H 1 94 SER HB2 . . 4.650 4.284 3.055 4.664 0.014 20 0 "[ . 1 . 2]" 1
1506 1 82 VAL H 1 94 SER QB . . 4.070 3.426 2.445 4.063 . 0 0 "[ . 1 . 2]" 1
1507 1 82 VAL H 1 94 SER HB3 . . 4.650 3.822 2.465 4.655 0.005 8 0 "[ . 1 . 2]" 1
1508 1 82 VAL H 1 94 SER HG . . 4.030 2.825 1.901 4.031 0.001 4 0 "[ . 1 . 2]" 1
1509 1 82 VAL HA 1 82 VAL MG2 . . 3.510 2.234 2.049 2.383 . 0 0 "[ . 1 . 2]" 1
1510 1 82 VAL HA 1 83 LYS H . . 3.040 2.249 2.167 2.353 . 0 0 "[ . 1 . 2]" 1
1511 1 82 VAL HA 1 83 LYS HG2 . . 5.080 3.918 3.737 4.134 . 0 0 "[ . 1 . 2]" 1
1512 1 82 VAL HA 1 93 TYR QD . . 4.930 3.879 3.598 4.131 . 0 0 "[ . 1 . 2]" 1
1513 1 82 VAL HB 1 83 LYS H . . 4.250 4.071 3.919 4.262 0.012 8 0 "[ . 1 . 2]" 1
1514 1 82 VAL MG1 1 94 SER H . . 5.290 3.763 3.319 4.038 . 0 0 "[ . 1 . 2]" 1
1515 1 82 VAL MG1 1 94 SER HB2 . . 4.320 3.677 2.900 4.140 . 0 0 "[ . 1 . 2]" 1
1516 1 82 VAL MG1 1 94 SER QB . . 3.780 2.938 2.178 3.382 . 0 0 "[ . 1 . 2]" 1
1517 1 82 VAL MG1 1 94 SER HB3 . . 4.320 3.144 2.221 4.095 . 0 0 "[ . 1 . 2]" 1
1518 1 82 VAL MG2 1 83 LYS H . . 3.310 2.193 1.975 2.486 . 0 0 "[ . 1 . 2]" 1
1519 1 82 VAL MG2 1 83 LYS HG2 . . 5.230 4.553 4.400 4.745 . 0 0 "[ . 1 . 2]" 1
1520 1 83 LYS H 1 83 LYS QD . . 4.980 4.432 4.309 4.619 . 0 0 "[ . 1 . 2]" 1
1521 1 83 LYS H 1 83 LYS HG2 . . 3.670 2.827 2.633 3.033 . 0 0 "[ . 1 . 2]" 1
1522 1 83 LYS H 1 83 LYS HG3 . . 3.770 2.711 2.483 3.022 . 0 0 "[ . 1 . 2]" 1
1523 1 83 LYS H 1 93 TYR QD . . 4.680 3.991 3.848 4.183 . 0 0 "[ . 1 . 2]" 1
1524 1 83 LYS H 1 93 TYR QE . . 4.780 4.584 3.992 4.780 0.000 6 0 "[ . 1 . 2]" 1
1525 1 83 LYS HA 1 84 ALA H . . 3.180 2.441 2.353 2.520 . 0 0 "[ . 1 . 2]" 1
1526 1 83 LYS HA 1 84 ALA MB . . 4.530 3.923 3.833 3.972 . 0 0 "[ . 1 . 2]" 1
1527 1 83 LYS HA 1 94 SER H . . 4.490 4.108 3.550 4.486 . 0 0 "[ . 1 . 2]" 1
1528 1 83 LYS HB2 1 83 LYS HD2 . . 4.140 2.241 2.099 2.633 . 0 0 "[ . 1 . 2]" 1
1529 1 83 LYS HB2 1 83 LYS HD3 . . 4.140 2.934 2.398 3.555 . 0 0 "[ . 1 . 2]" 1
1530 1 83 LYS HB2 1 84 ALA H . . 3.570 2.362 2.191 2.559 . 0 0 "[ . 1 . 2]" 1
1531 1 83 LYS HB2 1 91 SER H . . 4.230 3.629 3.300 3.928 . 0 0 "[ . 1 . 2]" 1
1532 1 83 LYS HB2 1 91 SER QB . . 4.230 3.311 2.656 4.225 . 0 0 "[ . 1 . 2]" 1
1533 1 83 LYS HB2 1 93 TYR HA . . 4.340 3.504 3.210 3.808 . 0 0 "[ . 1 . 2]" 1
1534 1 83 LYS HB2 1 93 TYR QD . . 4.510 4.114 3.621 4.521 0.011 8 0 "[ . 1 . 2]" 1
1535 1 83 LYS HB2 1 94 SER H . . 5.500 5.160 4.750 5.495 . 0 0 "[ . 1 . 2]" 1
1536 1 83 LYS HB3 1 83 LYS HD2 . . 3.760 3.195 2.731 3.623 . 0 0 "[ . 1 . 2]" 1
1537 1 83 LYS HB3 1 83 LYS HD3 . . 3.760 2.929 2.721 3.697 . 0 0 "[ . 1 . 2]" 1
1538 1 83 LYS HB3 1 84 ALA H . . 3.830 3.710 3.589 3.835 0.005 8 0 "[ . 1 . 2]" 1
1539 1 83 LYS HB3 1 93 TYR HA . . 3.800 2.043 1.995 2.212 . 0 0 "[ . 1 . 2]" 1
1540 1 83 LYS HB3 1 93 TYR QD . . 3.980 2.549 1.994 2.948 . 0 0 "[ . 1 . 2]" 1
1541 1 83 LYS HB3 1 93 TYR QE . . 5.020 3.892 3.417 4.297 . 0 0 "[ . 1 . 2]" 1
1542 1 83 LYS HB3 1 94 SER H . . 4.610 3.699 3.297 4.019 . 0 0 "[ . 1 . 2]" 1
1543 1 83 LYS QD 1 90 VAL HB . . 3.690 3.220 2.751 3.573 . 0 0 "[ . 1 . 2]" 1
1544 1 83 LYS QD 1 90 VAL MG1 . . 4.000 3.328 2.923 3.733 . 0 0 "[ . 1 . 2]" 1
1545 1 83 LYS QD 1 90 VAL MG2 . . 5.340 4.455 4.097 4.669 . 0 0 "[ . 1 . 2]" 1
1546 1 83 LYS QD 1 91 SER H . . 4.230 3.065 2.627 4.013 . 0 0 "[ . 1 . 2]" 1
1547 1 83 LYS QD 1 93 TYR QD . . 4.690 3.314 2.958 3.883 . 0 0 "[ . 1 . 2]" 1
1548 1 83 LYS QD 1 93 TYR QE . . 3.650 2.841 2.342 3.582 . 0 0 "[ . 1 . 2]" 1
1549 1 83 LYS HD2 1 90 VAL HB . . 4.480 3.333 2.810 3.758 . 0 0 "[ . 1 . 2]" 1
1550 1 83 LYS HD3 1 90 VAL HB . . 4.480 4.285 3.909 4.481 0.001 7 0 "[ . 1 . 2]" 1
1551 1 83 LYS QE 1 83 LYS HG2 . . 3.610 2.635 2.209 3.301 . 0 0 "[ . 1 . 2]" 1
1552 1 83 LYS QE 1 90 VAL HB . . 4.780 3.586 2.617 4.745 . 0 0 "[ . 1 . 2]" 1
1553 1 83 LYS QE 1 93 TYR QE . . 4.130 2.925 1.985 4.057 . 0 0 "[ . 1 . 2]" 1
1554 1 83 LYS HE2 1 93 TYR QE . . 4.970 3.364 1.998 4.621 . 0 0 "[ . 1 . 2]" 1
1555 1 83 LYS HE3 1 93 TYR QE . . 4.970 3.684 2.242 4.671 . 0 0 "[ . 1 . 2]" 1
1556 1 83 LYS HG2 1 93 TYR QE . . 3.950 2.277 2.005 2.604 . 0 0 "[ . 1 . 2]" 1
1557 1 83 LYS HG3 1 93 TYR QE . . 4.730 3.783 3.553 4.228 . 0 0 "[ . 1 . 2]" 1
1558 1 84 ALA H 1 84 ALA MB . . 3.180 2.337 2.223 2.445 . 0 0 "[ . 1 . 2]" 1
1559 1 84 ALA H 1 85 PHE H . . 5.500 4.520 4.489 4.552 . 0 0 "[ . 1 . 2]" 1
1560 1 84 ALA H 1 91 SER H . . 3.930 3.737 3.528 3.951 0.021 20 0 "[ . 1 . 2]" 1
1561 1 84 ALA H 1 91 SER HB2 . . 4.800 2.702 2.066 3.840 . 0 0 "[ . 1 . 2]" 1
1562 1 84 ALA H 1 91 SER QB . . 4.090 2.505 2.055 3.070 . 0 0 "[ . 1 . 2]" 1
1563 1 84 ALA H 1 91 SER HB3 . . 4.800 3.362 2.989 3.714 . 0 0 "[ . 1 . 2]" 1
1564 1 84 ALA H 1 91 SER HG . . 5.170 3.779 1.896 4.827 . 0 0 "[ . 1 . 2]" 1
1565 1 84 ALA HA 1 85 PHE H . . 3.030 2.291 2.208 2.379 . 0 0 "[ . 1 . 2]" 1
1566 1 84 ALA HA 1 85 PHE QD . . 4.350 3.780 3.202 4.190 . 0 0 "[ . 1 . 2]" 1
1567 1 84 ALA MB 1 85 PHE H . . 3.490 2.673 2.501 2.880 . 0 0 "[ . 1 . 2]" 1
1568 1 84 ALA MB 1 85 PHE HA . . 4.850 3.860 3.721 3.951 . 0 0 "[ . 1 . 2]" 1
1569 1 84 ALA MB 1 85 PHE HB3 . . 5.500 4.704 4.599 4.841 . 0 0 "[ . 1 . 2]" 1
1570 1 84 ALA MB 1 85 PHE QD . . 5.500 4.816 4.375 5.098 . 0 0 "[ . 1 . 2]" 1
1571 1 84 ALA MB 1 86 ASN HD22 . . 5.500 5.464 5.368 5.517 0.017 20 0 "[ . 1 . 2]" 1
1572 1 84 ALA MB 1 91 SER QB . . 3.650 2.804 2.483 3.131 . 0 0 "[ . 1 . 2]" 1
1573 1 84 ALA MB 1 91 SER HG . . 5.010 3.246 1.996 4.162 . 0 0 "[ . 1 . 2]" 1
1574 1 85 PHE H 1 85 PHE QD . . 3.900 3.060 2.696 3.280 . 0 0 "[ . 1 . 2]" 1
1575 1 85 PHE H 1 85 PHE QE . . 4.780 4.676 4.496 4.804 0.024 20 0 "[ . 1 . 2]" 1
1576 1 85 PHE H 1 86 ASN H . . 4.440 4.288 4.154 4.374 . 0 0 "[ . 1 . 2]" 1
1577 1 85 PHE HA 1 85 PHE QD . . 4.120 3.646 3.557 3.715 . 0 0 "[ . 1 . 2]" 1
1578 1 85 PHE HA 1 86 ASN H . . 3.000 2.218 2.173 2.262 . 0 0 "[ . 1 . 2]" 1
1579 1 85 PHE HA 1 89 GLY H . . 4.770 4.443 4.271 4.547 . 0 0 "[ . 1 . 2]" 1
1580 1 85 PHE HA 1 90 VAL HA . . 3.380 2.326 2.216 2.409 . 0 0 "[ . 1 . 2]" 1
1581 1 85 PHE HA 1 90 VAL HB . . 4.760 4.721 4.623 4.774 0.014 13 0 "[ . 1 . 2]" 1
1582 1 85 PHE HA 1 90 VAL MG1 . . 3.860 3.140 3.011 3.326 . 0 0 "[ . 1 . 2]" 1
1583 1 85 PHE HA 1 90 VAL MG2 . . 4.960 4.938 4.809 4.981 0.021 20 0 "[ . 1 . 2]" 1
1584 1 85 PHE HA 1 91 SER H . . 3.980 3.399 3.039 3.681 . 0 0 "[ . 1 . 2]" 1
1585 1 85 PHE HB2 1 86 ASN H . . 3.410 3.051 2.890 3.194 . 0 0 "[ . 1 . 2]" 1
1586 1 85 PHE HB2 1 89 GLY H . . 5.240 5.135 4.957 5.236 . 0 0 "[ . 1 . 2]" 1
1587 1 85 PHE HB2 1 90 VAL HA . . 4.510 2.800 2.587 3.027 . 0 0 "[ . 1 . 2]" 1
1588 1 85 PHE HB2 1 90 VAL HB . . 4.910 4.343 4.249 4.473 . 0 0 "[ . 1 . 2]" 1
1589 1 85 PHE HB2 1 90 VAL MG1 . . 3.680 1.952 1.891 2.031 . 0 0 "[ . 1 . 2]" 1
1590 1 85 PHE HB2 1 90 VAL MG2 . . 4.460 4.318 4.216 4.440 . 0 0 "[ . 1 . 2]" 1
1591 1 85 PHE HB3 1 86 ASN H . . 4.270 4.221 4.129 4.274 0.004 14 0 "[ . 1 . 2]" 1
1592 1 85 PHE HB3 1 90 VAL HA . . 4.370 3.283 3.035 3.599 . 0 0 "[ . 1 . 2]" 1
1593 1 85 PHE HB3 1 90 VAL HB . . 5.150 4.319 4.125 4.598 . 0 0 "[ . 1 . 2]" 1
1594 1 85 PHE HB3 1 90 VAL MG1 . . 3.110 2.190 2.012 2.553 . 0 0 "[ . 1 . 2]" 1
1595 1 85 PHE HB3 1 90 VAL MG2 . . 5.130 4.956 4.810 5.115 . 0 0 "[ . 1 . 2]" 1
1596 1 85 PHE HB3 1 91 SER H . . 5.040 3.855 3.530 4.246 . 0 0 "[ . 1 . 2]" 1
1597 1 85 PHE QD 1 86 ASN H . . 3.980 3.281 2.960 3.913 . 0 0 "[ . 1 . 2]" 1
1598 1 85 PHE QD 1 90 VAL MG1 . . 4.630 3.453 3.361 3.568 . 0 0 "[ . 1 . 2]" 1
1599 1 85 PHE QD 1 90 VAL MG2 . . 5.500 5.491 5.386 5.526 0.026 16 0 "[ . 1 . 2]" 1
1600 1 86 ASN H 1 87 LYS H . . 5.500 4.366 4.356 4.387 . 0 0 "[ . 1 . 2]" 1
1601 1 86 ASN H 1 88 THR H . . 4.480 4.322 4.087 4.481 0.001 17 0 "[ . 1 . 2]" 1
1602 1 86 ASN H 1 88 THR HB . . 4.430 4.096 3.872 4.206 . 0 0 "[ . 1 . 2]" 1
1603 1 86 ASN H 1 89 GLY H . . 3.430 2.950 2.732 3.070 . 0 0 "[ . 1 . 2]" 1
1604 1 86 ASN HA 1 87 LYS HA . . 4.890 4.328 4.318 4.334 . 0 0 "[ . 1 . 2]" 1
1605 1 86 ASN HA 1 88 THR H . . 4.760 4.592 4.366 4.742 . 0 0 "[ . 1 . 2]" 1
1606 1 86 ASN HB2 1 87 LYS H . . 3.370 2.041 1.981 2.116 . 0 0 "[ . 1 . 2]" 1
1607 1 86 ASN HB2 1 87 LYS HA . . 4.840 4.622 4.559 4.676 . 0 0 "[ . 1 . 2]" 1
1608 1 86 ASN HB2 1 87 LYS QB . . 4.410 3.648 3.481 4.270 . 0 0 "[ . 1 . 2]" 1
1609 1 86 ASN HB2 1 88 THR H . . 4.390 3.525 3.230 3.698 . 0 0 "[ . 1 . 2]" 1
1610 1 86 ASN HB3 1 87 LYS H . . 3.690 3.557 3.486 3.616 . 0 0 "[ . 1 . 2]" 1
1611 1 86 ASN HD21 1 87 LYS H . . 4.900 4.714 4.529 4.864 . 0 0 "[ . 1 . 2]" 1
1612 1 86 ASN HD21 1 88 THR H . . 4.860 4.642 4.413 4.842 . 0 0 "[ . 1 . 2]" 1
1613 1 86 ASN HD22 1 88 THR H . . 4.710 4.047 3.844 4.279 . 0 0 "[ . 1 . 2]" 1
1614 1 86 ASN HD22 1 88 THR HB . . 4.520 3.496 3.278 3.822 . 0 0 "[ . 1 . 2]" 1
1615 1 87 LYS H 1 87 LYS QB . . 3.210 2.345 2.110 2.642 . 0 0 "[ . 1 . 2]" 1
1616 1 87 LYS H 1 87 LYS HG2 . . 4.650 3.451 2.104 4.628 . 0 0 "[ . 1 . 2]" 1
1617 1 87 LYS H 1 87 LYS QG . . 3.800 2.776 1.866 3.982 0.182 18 0 "[ . 1 . 2]" 1
1618 1 87 LYS H 1 87 LYS HG3 . . 4.650 3.292 1.880 4.357 . 0 0 "[ . 1 . 2]" 1
1619 1 87 LYS H 1 88 THR H . . 3.830 3.039 2.882 3.135 . 0 0 "[ . 1 . 2]" 1
1620 1 87 LYS HA 1 87 LYS HD2 . . 4.830 3.794 2.032 4.706 . 0 0 "[ . 1 . 2]" 1
1621 1 87 LYS HA 1 87 LYS QD . . 4.140 3.234 2.018 4.095 . 0 0 "[ . 1 . 2]" 1
1622 1 87 LYS HA 1 87 LYS HD3 . . 4.830 3.817 2.055 4.926 0.096 20 0 "[ . 1 . 2]" 1
1623 1 87 LYS HA 1 87 LYS QE . . 4.860 4.160 3.145 4.997 0.137 20 0 "[ . 1 . 2]" 1
1624 1 87 LYS HA 1 87 LYS HG2 . . 4.030 2.823 2.200 4.133 0.103 20 0 "[ . 1 . 2]" 1
1625 1 87 LYS HA 1 87 LYS QG . . 3.430 2.520 2.178 3.359 . 0 0 "[ . 1 . 2]" 1
1626 1 87 LYS HA 1 87 LYS HG3 . . 4.030 3.146 2.365 4.194 0.164 13 0 "[ . 1 . 2]" 1
1627 1 87 LYS QB 1 87 LYS QE . . 4.450 2.916 1.997 3.770 . 0 0 "[ . 1 . 2]" 1
1628 1 87 LYS QB 1 88 THR H . . 3.650 2.568 2.343 3.423 . 0 0 "[ . 1 . 2]" 1
1629 1 87 LYS QB 1 88 THR HA . . 4.700 3.855 3.745 4.616 . 0 0 "[ . 1 . 2]" 1
1630 1 87 LYS QG 1 88 THR H . . 4.970 4.002 2.377 4.376 . 0 0 "[ . 1 . 2]" 1
1631 1 88 THR H 1 88 THR HB . . 3.270 2.725 2.617 2.921 . 0 0 "[ . 1 . 2]" 1
1632 1 88 THR H 1 88 THR MG . . 3.920 3.753 3.694 3.767 . 0 0 "[ . 1 . 2]" 1
1633 1 88 THR HA 1 88 THR MG . . 3.020 2.332 2.195 2.428 . 0 0 "[ . 1 . 2]" 1
1634 1 88 THR HB 1 89 GLY H . . 3.040 1.970 1.896 2.212 . 0 0 "[ . 1 . 2]" 1
1635 1 88 THR MG 1 89 GLY H . . 3.920 3.046 2.818 3.345 . 0 0 "[ . 1 . 2]" 1
1636 1 88 THR MG 1 89 GLY HA2 . . 4.810 4.331 4.177 4.602 . 0 0 "[ . 1 . 2]" 1
1637 1 88 THR MG 1 89 GLY HA3 . . 4.860 3.449 3.258 3.796 . 0 0 "[ . 1 . 2]" 1
1638 1 88 THR MG 1 90 VAL H . . 5.000 4.265 4.119 4.670 . 0 0 "[ . 1 . 2]" 1
1639 1 89 GLY H 1 90 VAL H . . 3.900 3.582 3.454 3.732 . 0 0 "[ . 1 . 2]" 1
1640 1 89 GLY HA2 1 90 VAL H . . 3.390 3.383 3.347 3.426 0.036 14 0 "[ . 1 . 2]" 1
1641 1 89 GLY HA2 1 90 VAL HA . . 5.500 4.686 4.655 4.715 . 0 0 "[ . 1 . 2]" 1
1642 1 89 GLY HA2 1 90 VAL MG1 . . 4.930 3.928 3.895 4.053 . 0 0 "[ . 1 . 2]" 1
1643 1 89 GLY HA2 1 90 VAL MG2 . . 3.730 3.439 3.348 3.534 . 0 0 "[ . 1 . 2]" 1
1644 1 89 GLY HA3 1 90 VAL H . . 3.070 2.168 2.150 2.196 . 0 0 "[ . 1 . 2]" 1
1645 1 89 GLY HA3 1 90 VAL HB . . 5.500 5.574 5.550 5.590 0.090 10 0 "[ . 1 . 2]" 1
1646 1 89 GLY HA3 1 90 VAL MG1 . . 4.410 4.339 4.298 4.428 0.018 13 0 "[ . 1 . 2]" 1
1647 1 89 GLY HA3 1 90 VAL MG2 . . 4.120 3.168 3.112 3.260 . 0 0 "[ . 1 . 2]" 1
1648 1 90 VAL H 1 90 VAL HB . . 3.910 3.786 3.756 3.821 . 0 0 "[ . 1 . 2]" 1
1649 1 90 VAL H 1 90 VAL MG1 . . 3.650 3.607 3.574 3.653 0.003 16 0 "[ . 1 . 2]" 1
1650 1 90 VAL H 1 90 VAL MG2 . . 3.150 2.358 2.293 2.411 . 0 0 "[ . 1 . 2]" 1
1651 1 90 VAL H 1 91 SER H . . 4.500 4.331 4.254 4.400 . 0 0 "[ . 1 . 2]" 1
1652 1 90 VAL HA 1 90 VAL MG1 . . 3.560 2.159 2.086 2.202 . 0 0 "[ . 1 . 2]" 1
1653 1 90 VAL HA 1 90 VAL MG2 . . 3.710 3.130 3.124 3.134 . 0 0 "[ . 1 . 2]" 1
1654 1 90 VAL HA 1 91 SER H . . 3.030 2.300 2.201 2.465 . 0 0 "[ . 1 . 2]" 1
1655 1 90 VAL HB 1 91 SER H . . 3.640 2.749 2.302 3.072 . 0 0 "[ . 1 . 2]" 1
1656 1 90 VAL HB 1 91 SER QB . . 5.340 4.811 4.573 5.066 . 0 0 "[ . 1 . 2]" 1
1657 1 90 VAL MG1 1 91 SER H . . 3.610 3.191 3.038 3.362 . 0 0 "[ . 1 . 2]" 1
1658 1 90 VAL MG2 1 91 SER H . . 4.220 4.018 3.761 4.176 . 0 0 "[ . 1 . 2]" 1
1659 1 90 VAL MG2 1 91 SER HA . . 5.000 4.582 4.383 4.728 . 0 0 "[ . 1 . 2]" 1
1660 1 91 SER H 1 91 SER HB2 . . 3.920 2.681 2.274 3.676 . 0 0 "[ . 1 . 2]" 1
1661 1 91 SER H 1 91 SER QB . . 3.330 2.403 2.247 2.812 . 0 0 "[ . 1 . 2]" 1
1662 1 91 SER H 1 91 SER HB3 . . 3.920 3.356 2.406 3.749 . 0 0 "[ . 1 . 2]" 1
1663 1 91 SER HA 1 92 PRO HD2 . . 3.620 2.488 2.412 2.556 . 0 0 "[ . 1 . 2]" 1
1664 1 91 SER HA 1 92 PRO QD . . 3.050 2.142 2.096 2.184 . 0 0 "[ . 1 . 2]" 1
1665 1 91 SER HA 1 92 PRO HD3 . . 3.620 2.337 2.302 2.371 . 0 0 "[ . 1 . 2]" 1
1666 1 91 SER QB 1 92 PRO QD . . 3.430 1.972 1.948 1.994 . 0 0 "[ . 1 . 2]" 1
1667 1 91 SER QB 1 92 PRO HG2 . . 4.590 3.694 3.574 3.943 . 0 0 "[ . 1 . 2]" 1
1668 1 91 SER QB 1 92 PRO HG3 . . 4.850 4.503 4.452 4.576 . 0 0 "[ . 1 . 2]" 1
1669 1 92 PRO HA 1 93 TYR H . . 2.880 2.204 2.182 2.250 . 0 0 "[ . 1 . 2]" 1
1670 1 92 PRO HB2 1 93 TYR H . . 3.640 3.223 3.043 3.320 . 0 0 "[ . 1 . 2]" 1
1671 1 92 PRO HB3 1 93 TYR H . . 4.000 3.800 3.691 3.861 . 0 0 "[ . 1 . 2]" 1
1672 1 92 PRO HG3 1 93 TYR H . . 5.500 5.491 5.382 5.547 0.047 20 0 "[ . 1 . 2]" 1
1673 1 93 TYR H 1 93 TYR HB2 . . 3.730 2.477 2.350 2.607 . 0 0 "[ . 1 . 2]" 1
1674 1 93 TYR H 1 93 TYR QB . . 3.010 2.435 2.320 2.548 . 0 0 "[ . 1 . 2]" 1
1675 1 93 TYR H 1 93 TYR HB3 . . 3.730 3.585 3.567 3.592 . 0 0 "[ . 1 . 2]" 1
1676 1 93 TYR H 1 93 TYR QD . . 3.470 2.847 2.461 3.105 . 0 0 "[ . 1 . 2]" 1
1677 1 93 TYR H 1 93 TYR QE . . 4.890 4.409 4.273 4.594 . 0 0 "[ . 1 . 2]" 1
1678 1 93 TYR H 1 94 SER H . . 4.790 4.620 4.526 4.642 . 0 0 "[ . 1 . 2]" 1
1679 1 93 TYR HA 1 93 TYR QD . . 3.500 2.430 2.140 2.753 . 0 0 "[ . 1 . 2]" 1
1680 1 93 TYR HA 1 93 TYR QE . . 4.540 4.454 4.343 4.539 . 0 0 "[ . 1 . 2]" 1
1681 1 93 TYR HA 1 94 SER H . . 2.920 2.295 2.144 2.463 . 0 0 "[ . 1 . 2]" 1
1682 1 93 TYR QB 1 94 SER H . . 3.660 2.688 2.267 3.232 . 0 0 "[ . 1 . 2]" 1
1683 1 93 TYR HB2 1 94 SER H . . 4.310 3.878 3.435 4.263 . 0 0 "[ . 1 . 2]" 1
1684 1 93 TYR HB3 1 94 SER H . . 4.310 2.745 2.294 3.347 . 0 0 "[ . 1 . 2]" 1
1685 1 93 TYR QD 1 94 SER H . . 4.020 3.625 3.214 3.918 . 0 0 "[ . 1 . 2]" 1
1686 1 94 SER H 1 94 SER HB2 . . 4.140 3.342 2.657 3.609 . 0 0 "[ . 1 . 2]" 1
1687 1 94 SER H 1 94 SER QB . . 3.290 2.557 2.134 2.917 . 0 0 "[ . 1 . 2]" 1
1688 1 94 SER H 1 94 SER HB3 . . 4.140 2.737 2.178 3.678 . 0 0 "[ . 1 . 2]" 1
1689 1 94 SER HA 1 95 LYS H . . 3.220 2.509 2.340 2.642 . 0 0 "[ . 1 . 2]" 1
1690 1 94 SER QB 1 95 LYS H . . 3.540 2.468 1.973 3.329 . 0 0 "[ . 1 . 2]" 1
1691 1 94 SER HB2 1 95 LYS H . . 4.160 2.631 1.988 3.578 . 0 0 "[ . 1 . 2]" 1
1692 1 94 SER HB3 1 95 LYS H . . 4.160 3.464 2.236 3.962 . 0 0 "[ . 1 . 2]" 1
1693 1 95 LYS H 1 95 LYS QB . . 3.190 2.207 2.122 2.282 . 0 0 "[ . 1 . 2]" 1
1694 1 95 LYS H 1 95 LYS QD . . 4.580 4.223 3.711 4.517 . 0 0 "[ . 1 . 2]" 1
1695 1 95 LYS H 1 95 LYS QG . . 4.070 3.979 3.836 4.068 . 0 0 "[ . 1 . 2]" 1
1696 1 95 LYS H 1 96 THR H . . 5.450 4.516 4.302 4.647 . 0 0 "[ . 1 . 2]" 1
1697 1 95 LYS HA 1 95 LYS QD . . 4.170 3.194 1.979 4.124 . 0 0 "[ . 1 . 2]" 1
1698 1 95 LYS HA 1 95 LYS QE . . 4.820 3.768 1.867 4.727 . 0 0 "[ . 1 . 2]" 1
1699 1 95 LYS HA 1 95 LYS QG . . 3.420 2.539 2.244 2.854 . 0 0 "[ . 1 . 2]" 1
1700 1 95 LYS HA 1 96 THR H . . 2.800 2.181 2.140 2.406 . 0 0 "[ . 1 . 2]" 1
1701 1 95 LYS QB 1 96 THR H . . 4.040 3.705 3.138 3.937 . 0 0 "[ . 1 . 2]" 1
1702 1 95 LYS QD 1 96 THR H . . 4.690 4.060 2.910 4.690 . 0 0 "[ . 1 . 2]" 1
1703 1 95 LYS QE 1 95 LYS QG . . 3.220 2.228 2.067 2.591 . 0 0 "[ . 1 . 2]" 1
1704 1 95 LYS QG 1 96 THR H . . 4.280 2.786 2.008 3.423 . 0 0 "[ . 1 . 2]" 1
1705 1 95 LYS QG 1 96 THR HA . . 4.990 4.549 4.186 4.961 . 0 0 "[ . 1 . 2]" 1
1706 1 95 LYS QG 1 96 THR HB . . 4.720 3.916 3.635 4.320 . 0 0 "[ . 1 . 2]" 1
1707 1 96 THR H 1 96 THR HB . . 3.040 2.752 2.526 3.021 . 0 0 "[ . 1 . 2]" 1
1708 1 96 THR HA 1 96 THR MG . . 3.230 2.298 2.104 2.467 . 0 0 "[ . 1 . 2]" 1
1709 1 96 THR HA 1 97 LEU H . . 3.200 2.154 2.142 2.224 . 0 0 "[ . 1 . 2]" 1
1710 1 96 THR HA 1 97 LEU HB2 . . 5.500 4.764 4.542 4.929 . 0 0 "[ . 1 . 2]" 1
1711 1 96 THR HA 1 97 LEU HB3 . . 5.390 4.448 4.282 4.587 . 0 0 "[ . 1 . 2]" 1
1712 1 96 THR HB 1 97 LEU H . . 4.410 4.257 4.103 4.410 0.000 14 0 "[ . 1 . 2]" 1
1713 1 96 THR HB 1 98 VAL QG . . 4.150 3.949 3.601 4.152 0.002 14 0 "[ . 1 . 2]" 1
1714 1 96 THR MG 1 97 LEU H . . 3.280 2.853 2.476 3.216 . 0 0 "[ . 1 . 2]" 1
1715 1 96 THR MG 1 97 LEU HA . . 5.150 4.084 3.800 4.334 . 0 0 "[ . 1 . 2]" 1
1716 1 96 THR MG 1 98 VAL HA . . 5.150 4.094 3.805 4.641 . 0 0 "[ . 1 . 2]" 1
1717 1 97 LEU H 1 97 LEU HB2 . . 3.940 2.963 2.731 3.161 . 0 0 "[ . 1 . 2]" 1
1718 1 97 LEU H 1 97 LEU HB3 . . 3.730 2.358 2.272 2.505 . 0 0 "[ . 1 . 2]" 1
1719 1 97 LEU H 1 97 LEU MD1 . . 4.550 4.379 4.270 4.472 . 0 0 "[ . 1 . 2]" 1
1720 1 97 LEU H 1 97 LEU QD . . 3.970 3.786 3.728 3.853 . 0 0 "[ . 1 . 2]" 1
1721 1 97 LEU H 1 97 LEU MD2 . . 4.550 4.145 4.068 4.264 . 0 0 "[ . 1 . 2]" 1
1722 1 97 LEU H 1 97 LEU HG . . 4.830 4.297 4.092 4.445 . 0 0 "[ . 1 . 2]" 1
1723 1 97 LEU H 1 98 VAL H . . 4.790 4.360 4.158 4.565 . 0 0 "[ . 1 . 2]" 1
1724 1 97 LEU H 1 98 VAL QG . . 5.440 4.527 4.242 4.939 . 0 0 "[ . 1 . 2]" 1
1725 1 97 LEU HA 1 97 LEU MD1 . . 4.120 2.509 2.354 2.679 . 0 0 "[ . 1 . 2]" 1
1726 1 97 LEU HA 1 97 LEU QD . . 2.970 2.484 2.336 2.641 . 0 0 "[ . 1 . 2]" 1
1727 1 97 LEU HA 1 97 LEU MD2 . . 4.120 3.984 3.931 4.020 . 0 0 "[ . 1 . 2]" 1
1728 1 97 LEU HA 1 97 LEU HG . . 3.970 3.097 2.976 3.323 . 0 0 "[ . 1 . 2]" 1
1729 1 97 LEU HA 1 98 VAL H . . 2.930 2.154 2.139 2.248 . 0 0 "[ . 1 . 2]" 1
1730 1 97 LEU HB2 1 97 LEU QD . . 3.010 2.038 1.965 2.128 . 0 0 "[ . 1 . 2]" 1
1731 1 97 LEU HB2 1 98 VAL H . . 4.520 4.227 3.910 4.398 . 0 0 "[ . 1 . 2]" 1
1732 1 97 LEU HB2 1 99 LEU QD . . 5.140 4.355 3.986 4.873 . 0 0 "[ . 1 . 2]" 1
1733 1 97 LEU HB3 1 98 VAL H . . 4.500 4.375 4.008 4.537 0.037 16 0 "[ . 1 . 2]" 1
1734 1 97 LEU HB3 1 99 LEU QD . . 4.640 3.431 3.079 3.877 . 0 0 "[ . 1 . 2]" 1
1735 1 97 LEU QD 1 98 VAL H . . 3.370 2.967 2.196 3.276 . 0 0 "[ . 1 . 2]" 1
1736 1 97 LEU HG 1 98 VAL H . . 3.990 3.278 2.441 3.894 . 0 0 "[ . 1 . 2]" 1
1737 1 97 LEU HG 1 99 LEU H . . 5.370 4.540 3.838 5.104 . 0 0 "[ . 1 . 2]" 1
1738 1 97 LEU HG 1 99 LEU QD . . 3.540 2.197 1.866 2.882 . 0 0 "[ . 1 . 2]" 1
1739 1 98 VAL H 1 98 VAL HB . . 3.290 2.636 2.487 3.066 . 0 0 "[ . 1 . 2]" 1
1740 1 98 VAL H 1 98 VAL MG1 . . 3.970 3.708 1.837 3.887 . 0 0 "[ . 1 . 2]" 1
1741 1 98 VAL H 1 98 VAL QG . . 3.070 2.255 1.832 2.611 . 0 0 "[ . 1 . 2]" 1
1742 1 98 VAL H 1 98 VAL MG2 . . 3.970 2.367 1.934 3.694 . 0 0 "[ . 1 . 2]" 1
1743 1 98 VAL H 1 99 LEU H . . 4.720 4.499 4.275 4.610 . 0 0 "[ . 1 . 2]" 1
1744 1 98 VAL HA 1 98 VAL MG1 . . 3.240 2.354 2.178 3.164 . 0 0 "[ . 1 . 2]" 1
1745 1 98 VAL HA 1 98 VAL QG . . 2.810 2.130 2.044 2.434 . 0 0 "[ . 1 . 2]" 1
1746 1 98 VAL HA 1 98 VAL MG2 . . 3.240 2.459 2.333 2.590 . 0 0 "[ . 1 . 2]" 1
1747 1 98 VAL HA 1 99 LEU H . . 2.770 2.182 2.141 2.270 . 0 0 "[ . 1 . 2]" 1
1748 1 98 VAL HA 1 99 LEU QD . . 3.750 3.080 2.520 3.739 . 0 0 "[ . 1 . 2]" 1
1749 1 98 VAL HB 1 99 LEU H . . 4.350 4.024 3.758 4.281 . 0 0 "[ . 1 . 2]" 1
1750 1 98 VAL QG 1 99 LEU H . . 3.280 2.378 1.890 2.813 . 0 0 "[ . 1 . 2]" 1
1751 1 98 VAL QG 1 99 LEU HB2 . . 4.810 4.470 4.144 4.815 0.005 15 0 "[ . 1 . 2]" 1
1752 1 98 VAL QG 1 100 GLN H . . 4.570 2.909 2.240 4.226 . 0 0 "[ . 1 . 2]" 1
1753 1 98 VAL QG 1 100 GLN QE . . 3.940 2.038 1.728 2.485 . 0 0 "[ . 1 . 2]" 1
1754 1 98 VAL QG 1 100 GLN QG . . 4.280 2.661 2.161 3.426 . 0 0 "[ . 1 . 2]" 1
1755 1 98 VAL MG1 1 99 LEU H . . 4.310 2.475 1.894 4.196 . 0 0 "[ . 1 . 2]" 1
1756 1 98 VAL MG2 1 99 LEU H . . 4.310 4.000 2.620 4.227 . 0 0 "[ . 1 . 2]" 1
1757 1 99 LEU H 1 99 LEU HB2 . . 3.660 2.734 2.369 3.636 . 0 0 "[ . 1 . 2]" 1
1758 1 99 LEU H 1 99 LEU HB3 . . 4.030 3.737 3.523 3.877 . 0 0 "[ . 1 . 2]" 1
1759 1 99 LEU H 1 99 LEU QD . . 3.960 2.414 1.844 3.326 . 0 0 "[ . 1 . 2]" 1
1760 1 99 LEU H 1 99 LEU HG . . 4.290 3.252 2.189 4.169 . 0 0 "[ . 1 . 2]" 1
1761 1 99 LEU H 1 100 GLN H . . 4.470 3.640 2.995 4.350 . 0 0 "[ . 1 . 2]" 1
1762 1 99 LEU H 1 100 GLN QG . . 5.340 4.944 4.387 5.339 . 0 0 "[ . 1 . 2]" 1
1763 1 99 LEU HA 1 99 LEU QD . . 4.020 2.808 1.955 3.222 . 0 0 "[ . 1 . 2]" 1
1764 1 99 LEU HA 1 99 LEU HG . . 4.170 2.991 2.440 3.773 . 0 0 "[ . 1 . 2]" 1
1765 1 99 LEU HA 1 100 GLN H . . 2.920 2.373 2.140 2.714 . 0 0 "[ . 1 . 2]" 1
1766 1 99 LEU HA 1 100 GLN HB2 . . 4.610 4.466 4.343 4.605 . 0 0 "[ . 1 . 2]" 1
1767 1 99 LEU HB2 1 100 GLN H . . 4.550 4.343 3.683 4.521 . 0 0 "[ . 1 . 2]" 1
1768 1 99 LEU HB3 1 100 GLN H . . 4.400 4.162 3.453 4.397 . 0 0 "[ . 1 . 2]" 1
1769 1 100 GLN H 1 100 GLN HB2 . . 3.450 2.299 2.181 2.611 . 0 0 "[ . 1 . 2]" 1
1770 1 100 GLN H 1 100 GLN HB3 . . 3.620 3.547 3.484 3.620 . 0 0 "[ . 1 . 2]" 1
1771 1 100 GLN H 1 100 GLN HE21 . . 4.780 3.624 2.033 4.738 . 0 0 "[ . 1 . 2]" 1
1772 1 100 GLN H 1 100 GLN QE . . 4.180 3.352 1.990 4.049 . 0 0 "[ . 1 . 2]" 1
1773 1 100 GLN H 1 100 GLN HE22 . . 4.780 4.392 2.829 4.803 0.023 16 0 "[ . 1 . 2]" 1
1774 1 100 GLN H 1 100 GLN HG2 . . 4.390 3.709 2.010 4.288 . 0 0 "[ . 1 . 2]" 1
1775 1 100 GLN H 1 100 GLN QG . . 3.840 2.951 1.997 3.538 . 0 0 "[ . 1 . 2]" 1
1776 1 100 GLN H 1 100 GLN HG3 . . 4.390 3.385 2.720 4.026 . 0 0 "[ . 1 . 2]" 1
1777 1 100 GLN H 1 101 THR H . . 4.730 4.373 3.947 4.595 . 0 0 "[ . 1 . 2]" 1
1778 1 100 GLN HA 1 100 GLN QG . . 3.720 2.390 2.145 2.856 . 0 0 "[ . 1 . 2]" 1
1779 1 100 GLN HA 1 101 THR H . . 3.050 2.170 2.139 2.346 . 0 0 "[ . 1 . 2]" 1
1780 1 100 GLN HA 1 101 THR MG . . 4.980 4.043 3.623 4.434 . 0 0 "[ . 1 . 2]" 1
1781 1 100 GLN HB2 1 101 THR H . . 4.600 4.470 4.189 4.592 . 0 0 "[ . 1 . 2]" 1
1782 1 100 GLN HB3 1 101 THR H . . 4.360 3.672 3.097 4.167 . 0 0 "[ . 1 . 2]" 1
1783 1 100 GLN QE 1 100 GLN QG . . 3.000 2.196 2.068 2.309 . 0 0 "[ . 1 . 2]" 1
1784 1 100 GLN QG 1 101 THR H . . 4.780 4.173 3.789 4.769 . 0 0 "[ . 1 . 2]" 1
1785 1 101 THR H 1 101 THR HG1 . . 4.580 2.623 1.943 3.399 . 0 0 "[ . 1 . 2]" 1
1786 1 101 THR H 1 101 THR MG . . 3.550 2.637 2.136 3.032 . 0 0 "[ . 1 . 2]" 1
1787 1 101 THR H 1 102 SER H . . 4.690 4.571 4.465 4.643 . 0 0 "[ . 1 . 2]" 1
1788 1 101 THR HA 1 101 THR MG . . 3.040 2.242 2.024 2.462 . 0 0 "[ . 1 . 2]" 1
1789 1 101 THR HA 1 102 SER H . . 3.180 2.309 2.159 2.495 . 0 0 "[ . 1 . 2]" 1
1790 1 101 THR HB 1 102 SER H . . 3.480 2.689 2.188 3.224 . 0 0 "[ . 1 . 2]" 1
1791 1 101 THR HG1 1 102 SER H . . 5.150 4.808 4.329 5.114 . 0 0 "[ . 1 . 2]" 1
1792 1 101 THR MG 1 102 SER H . . 4.220 3.655 3.405 4.021 . 0 0 "[ . 1 . 2]" 1
1793 1 102 SER H 1 102 SER HB2 . . 3.870 2.730 2.223 3.705 . 0 0 "[ . 1 . 2]" 1
1794 1 102 SER H 1 102 SER HB3 . . 3.870 3.170 2.329 3.675 . 0 0 "[ . 1 . 2]" 1
1795 1 102 SER H 1 103 GLU H . . 4.660 4.570 4.443 4.636 . 0 0 "[ . 1 . 2]" 1
1796 1 102 SER HA 1 103 GLU H . . 2.960 2.427 2.220 2.619 . 0 0 "[ . 1 . 2]" 1
1797 1 102 SER HA 1 103 GLU QG . . 4.820 4.368 3.805 4.851 0.031 16 0 "[ . 1 . 2]" 1
1798 1 102 SER QB 1 103 GLU H . . 3.280 2.575 2.047 3.225 . 0 0 "[ . 1 . 2]" 1
1799 1 102 SER HB2 1 103 GLU H . . 3.960 3.423 2.274 3.975 0.015 4 0 "[ . 1 . 2]" 1
1800 1 102 SER HB3 1 103 GLU H . . 3.960 2.976 2.062 3.868 . 0 0 "[ . 1 . 2]" 1
1801 1 103 GLU H 1 103 GLU HB2 . . 3.620 3.455 2.177 3.631 0.011 19 0 "[ . 1 . 2]" 1
1802 1 103 GLU H 1 103 GLU QB . . 3.060 2.446 2.156 2.664 . 0 0 "[ . 1 . 2]" 1
1803 1 103 GLU H 1 103 GLU HB3 . . 3.620 2.622 2.341 3.512 . 0 0 "[ . 1 . 2]" 1
1804 1 103 GLU H 1 103 GLU QG . . 3.710 2.328 1.929 3.581 . 0 0 "[ . 1 . 2]" 1
1805 1 103 GLU H 1 104 GLY H . . 4.650 4.204 2.357 4.648 . 0 0 "[ . 1 . 2]" 1
1806 1 103 GLU HA 1 103 GLU QG . . 3.570 3.228 2.150 3.447 . 0 0 "[ . 1 . 2]" 1
1807 1 103 GLU HA 1 104 GLY H . . 3.440 2.512 2.143 3.449 0.009 9 0 "[ . 1 . 2]" 1
1808 1 103 GLU QB 1 104 GLY H . . 3.840 2.946 1.939 3.803 . 0 0 "[ . 1 . 2]" 1
1809 1 103 GLU HB2 1 104 GLY H . . 4.380 3.229 2.489 4.213 . 0 0 "[ . 1 . 2]" 1
1810 1 103 GLU HB3 1 104 GLY H . . 4.380 3.874 1.949 4.355 . 0 0 "[ . 1 . 2]" 1
1811 1 103 GLU QG 1 104 GLY H . . 4.650 3.546 2.449 4.172 . 0 0 "[ . 1 . 2]" 1
1812 1 103 GLU QG 1 104 GLY HA2 . . 5.500 4.564 3.801 5.542 0.042 16 0 "[ . 1 . 2]" 1
1813 1 103 GLU QG 1 104 GLY HA3 . . 5.500 4.688 3.498 5.294 . 0 0 "[ . 1 . 2]" 1
1814 1 105 SER QB 1 106 GLY H . . 4.610 3.287 2.193 4.049 . 0 0 "[ . 1 . 2]" 1
1815 1 106 GLY QA 1 107 PRO QD . . 2.840 1.937 1.844 2.032 . 0 0 "[ . 1 . 2]" 1
1816 1 106 GLY QA 1 107 PRO QG . . 4.780 3.671 3.642 3.735 . 0 0 "[ . 1 . 2]" 1
1817 1 106 GLY HA2 1 107 PRO QD . . 3.340 2.107 1.855 2.726 . 0 0 "[ . 1 . 2]" 1
1818 1 106 GLY HA2 1 107 PRO QG . . 5.500 4.013 3.770 4.624 . 0 0 "[ . 1 . 2]" 1
1819 1 106 GLY HA3 1 107 PRO QD . . 3.340 2.653 1.914 3.381 0.041 18 0 "[ . 1 . 2]" 1
1820 1 106 GLY HA3 1 107 PRO QG . . 5.500 4.423 3.822 5.096 . 0 0 "[ . 1 . 2]" 1
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