NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
420022 |
2ee6   |
10146 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ee6
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 1458
_Distance_constraint_stats_list.Viol_count 209
_Distance_constraint_stats_list.Viol_total 29.801
_Distance_constraint_stats_list.Viol_max 0.081
_Distance_constraint_stats_list.Viol_rms 0.0010
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0071
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.003 0.003 1 0 "[ . 1 . 2]"
1 10 GLY 0.000 0.000 2 0 "[ . 1 . 2]"
1 11 ALA 0.001 0.001 2 0 "[ . 1 . 2]"
1 12 HIS 0.013 0.004 11 0 "[ . 1 . 2]"
1 13 LYS 0.007 0.003 1 0 "[ . 1 . 2]"
1 14 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ARG 0.012 0.010 18 0 "[ . 1 . 2]"
1 16 ALA 0.012 0.007 17 0 "[ . 1 . 2]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LEU 0.011 0.005 4 0 "[ . 1 . 2]"
1 22 GLU 0.100 0.045 17 0 "[ . 1 . 2]"
1 23 ARG 0.088 0.043 17 0 "[ . 1 . 2]"
1 24 GLY 0.077 0.043 17 0 "[ . 1 . 2]"
1 25 GLU 0.015 0.004 9 0 "[ . 1 . 2]"
1 26 ALA 0.020 0.005 6 0 "[ . 1 . 2]"
1 27 GLY 0.001 0.001 18 0 "[ . 1 . 2]"
1 28 VAL 0.006 0.003 18 0 "[ . 1 . 2]"
1 29 PRO 0.024 0.005 6 0 "[ . 1 . 2]"
1 30 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.002 0.002 9 0 "[ . 1 . 2]"
1 32 PHE 0.001 0.001 18 0 "[ . 1 . 2]"
1 33 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ILE 0.001 0.001 13 0 "[ . 1 . 2]"
1 36 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.172 0.081 7 0 "[ . 1 . 2]"
1 42 GLY 0.172 0.081 7 0 "[ . 1 . 2]"
1 43 GLY 0.009 0.005 16 0 "[ . 1 . 2]"
1 44 LEU 0.002 0.001 16 0 "[ . 1 . 2]"
1 45 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.014 0.008 18 0 "[ . 1 . 2]"
1 48 VAL 0.002 0.002 11 0 "[ . 1 . 2]"
1 49 GLU 0.003 0.002 7 0 "[ . 1 . 2]"
1 50 GLY 0.003 0.002 7 0 "[ . 1 . 2]"
1 51 PRO 0.006 0.003 12 0 "[ . 1 . 2]"
1 52 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLU 0.000 0.000 3 0 "[ . 1 . 2]"
1 56 ILE 0.002 0.002 4 0 "[ . 1 . 2]"
1 57 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.001 0.001 13 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.001 0.001 18 0 "[ . 1 . 2]"
1 69 SER 0.012 0.006 7 0 "[ . 1 . 2]"
1 70 TYR 0.012 0.006 7 0 "[ . 1 . 2]"
1 71 ILE 0.027 0.005 6 0 "[ . 1 . 2]"
1 72 ALA 0.006 0.005 17 0 "[ . 1 . 2]"
1 73 GLN 0.022 0.005 12 0 "[ . 1 . 2]"
1 74 GLU 0.002 0.002 12 0 "[ . 1 . 2]"
1 75 PRO 0.001 0.001 6 0 "[ . 1 . 2]"
1 76 GLY 0.004 0.004 7 0 "[ . 1 . 2]"
1 77 ASN 0.016 0.004 12 0 "[ . 1 . 2]"
1 78 TYR 0.022 0.005 16 0 "[ . 1 . 2]"
1 79 GLU 0.027 0.007 18 0 "[ . 1 . 2]"
1 80 VAL 0.001 0.001 12 0 "[ . 1 . 2]"
1 81 SER 0.012 0.008 18 0 "[ . 1 . 2]"
1 82 ILE 0.016 0.005 4 0 "[ . 1 . 2]"
1 83 LYS 0.029 0.012 18 0 "[ . 1 . 2]"
1 84 PHE 0.003 0.001 9 0 "[ . 1 . 2]"
1 85 ASN 0.020 0.010 12 0 "[ . 1 . 2]"
1 86 ASP 0.024 0.012 18 0 "[ . 1 . 2]"
1 87 GLU 0.078 0.021 18 0 "[ . 1 . 2]"
1 88 HIS 0.283 0.026 4 0 "[ . 1 . 2]"
1 89 ILE 0.215 0.033 19 0 "[ . 1 . 2]"
1 90 PRO 0.017 0.008 11 0 "[ . 1 . 2]"
1 91 GLU 0.041 0.017 11 0 "[ . 1 . 2]"
1 92 SER 0.120 0.027 14 0 "[ . 1 . 2]"
1 93 PRO 0.227 0.026 18 0 "[ . 1 . 2]"
1 94 TYR 0.006 0.006 18 0 "[ . 1 . 2]"
1 95 LEU 0.043 0.007 18 0 "[ . 1 . 2]"
1 96 VAL 0.113 0.016 18 0 "[ . 1 . 2]"
1 97 PRO 0.103 0.016 18 0 "[ . 1 . 2]"
1 98 VAL 0.003 0.002 9 0 "[ . 1 . 2]"
1 99 ILE 0.003 0.001 8 0 "[ . 1 . 2]"
1 100 ALA 0.189 0.022 13 0 "[ . 1 . 2]"
1 101 PRO 0.205 0.022 13 0 "[ . 1 . 2]"
1 102 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 103 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 GLU QG . . 4.970 4.151 3.458 4.730 . 0 0 "[ . 1 . 2]" 1
2 1 8 GLU H 1 8 GLU QB . . 3.550 2.571 2.176 3.145 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLU H 1 8 GLU QG . . 4.310 2.655 1.900 3.845 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLU HA 1 8 GLU QG . . 3.810 2.780 2.217 3.477 . 0 0 "[ . 1 . 2]" 1
5 1 9 GLY H 1 10 GLY H . . 4.480 4.164 3.051 4.477 . 0 0 "[ . 1 . 2]" 1
6 1 9 GLY QA 1 10 GLY H . . 2.920 2.196 2.115 2.310 . 0 0 "[ . 1 . 2]" 1
7 1 9 GLY QA 1 13 LYS H . . 4.820 4.631 4.329 4.823 0.003 1 0 "[ . 1 . 2]" 1
8 1 9 GLY QA 1 13 LYS QB . . 4.750 3.132 2.566 3.832 . 0 0 "[ . 1 . 2]" 1
9 1 9 GLY QA 1 13 LYS QD . . 4.180 3.335 2.891 3.744 . 0 0 "[ . 1 . 2]" 1
10 1 9 GLY QA 1 13 LYS QG . . 3.740 2.144 1.947 2.780 . 0 0 "[ . 1 . 2]" 1
11 1 9 GLY HA2 1 10 GLY H . . 3.530 2.647 2.153 3.306 . 0 0 "[ . 1 . 2]" 1
12 1 9 GLY HA3 1 10 GLY H . . 3.530 2.639 2.141 3.528 . 0 0 "[ . 1 . 2]" 1
13 1 10 GLY H 1 11 ALA H . . 4.150 4.056 3.755 4.144 . 0 0 "[ . 1 . 2]" 1
14 1 10 GLY H 1 13 LYS QB . . 4.790 2.480 1.912 3.713 . 0 0 "[ . 1 . 2]" 1
15 1 10 GLY H 1 39 ALA HA . . 4.520 3.514 2.742 4.229 . 0 0 "[ . 1 . 2]" 1
16 1 10 GLY H 1 39 ALA MB . . 4.300 3.596 2.284 4.214 . 0 0 "[ . 1 . 2]" 1
17 1 10 GLY H 1 84 PHE QE . . 4.920 4.259 2.595 4.920 0.000 2 0 "[ . 1 . 2]" 1
18 1 10 GLY QA 1 11 ALA H . . 2.970 2.139 2.109 2.182 . 0 0 "[ . 1 . 2]" 1
19 1 10 GLY QA 1 12 HIS HE1 . . 4.260 2.932 2.068 3.559 . 0 0 "[ . 1 . 2]" 1
20 1 10 GLY QA 1 84 PHE QE . . 4.260 2.744 2.225 3.467 . 0 0 "[ . 1 . 2]" 1
21 1 10 GLY HA2 1 11 ALA H . . 3.450 2.945 2.187 3.293 . 0 0 "[ . 1 . 2]" 1
22 1 10 GLY HA2 1 12 HIS HE1 . . 4.890 4.361 3.748 4.842 . 0 0 "[ . 1 . 2]" 1
23 1 10 GLY HA2 1 84 PHE QE . . 5.000 2.785 2.244 3.542 . 0 0 "[ . 1 . 2]" 1
24 1 10 GLY HA3 1 11 ALA H . . 3.450 2.333 2.136 3.057 . 0 0 "[ . 1 . 2]" 1
25 1 10 GLY HA3 1 12 HIS HE1 . . 4.890 2.988 2.077 3.662 . 0 0 "[ . 1 . 2]" 1
26 1 10 GLY HA3 1 84 PHE QE . . 5.000 4.187 3.370 4.968 . 0 0 "[ . 1 . 2]" 1
27 1 11 ALA H 1 11 ALA MB . . 3.000 2.140 2.028 2.275 . 0 0 "[ . 1 . 2]" 1
28 1 11 ALA H 1 12 HIS H . . 3.630 2.827 2.462 3.376 . 0 0 "[ . 1 . 2]" 1
29 1 11 ALA H 1 84 PHE QD . . 3.930 3.323 2.818 3.733 . 0 0 "[ . 1 . 2]" 1
30 1 11 ALA H 1 87 GLU HB3 . . 4.380 4.258 3.970 4.381 0.001 10 0 "[ . 1 . 2]" 1
31 1 11 ALA HA 1 14 VAL H . . 4.520 3.855 3.107 4.505 . 0 0 "[ . 1 . 2]" 1
32 1 11 ALA HA 1 14 VAL HB . . 4.630 3.128 2.767 3.469 . 0 0 "[ . 1 . 2]" 1
33 1 11 ALA HA 1 14 VAL MG2 . . 3.580 2.506 2.046 2.880 . 0 0 "[ . 1 . 2]" 1
34 1 11 ALA HA 1 84 PHE HB2 . . 4.040 3.887 3.610 4.041 0.001 2 0 "[ . 1 . 2]" 1
35 1 11 ALA HA 1 84 PHE QB . . 3.440 2.654 2.471 2.886 . 0 0 "[ . 1 . 2]" 1
36 1 11 ALA HA 1 84 PHE HB3 . . 4.040 2.702 2.509 2.962 . 0 0 "[ . 1 . 2]" 1
37 1 11 ALA HA 1 84 PHE QD . . 3.940 2.223 1.997 2.676 . 0 0 "[ . 1 . 2]" 1
38 1 11 ALA HA 1 89 ILE MG . . 3.630 2.658 2.405 2.923 . 0 0 "[ . 1 . 2]" 1
39 1 11 ALA MB 1 12 HIS H . . 3.440 2.249 2.014 2.624 . 0 0 "[ . 1 . 2]" 1
40 1 11 ALA MB 1 12 HIS HA . . 4.860 3.629 3.552 3.700 . 0 0 "[ . 1 . 2]" 1
41 1 11 ALA MB 1 14 VAL MG2 . . 4.400 3.814 3.546 4.143 . 0 0 "[ . 1 . 2]" 1
42 1 11 ALA MB 1 84 PHE H . . 3.870 3.480 3.259 3.766 . 0 0 "[ . 1 . 2]" 1
43 1 11 ALA MB 1 84 PHE HB2 . . 4.130 3.932 3.596 4.130 0.000 11 0 "[ . 1 . 2]" 1
44 1 11 ALA MB 1 84 PHE QB . . 3.340 2.489 2.062 2.794 . 0 0 "[ . 1 . 2]" 1
45 1 11 ALA MB 1 84 PHE HB3 . . 4.130 2.518 2.075 2.842 . 0 0 "[ . 1 . 2]" 1
46 1 11 ALA MB 1 84 PHE QD . . 3.800 2.790 2.071 3.152 . 0 0 "[ . 1 . 2]" 1
47 1 11 ALA MB 1 87 GLU H . . 4.640 4.306 4.161 4.521 . 0 0 "[ . 1 . 2]" 1
48 1 11 ALA MB 1 87 GLU HB2 . . 3.460 2.520 2.174 2.797 . 0 0 "[ . 1 . 2]" 1
49 1 11 ALA MB 1 87 GLU HB3 . . 3.530 2.189 2.013 2.347 . 0 0 "[ . 1 . 2]" 1
50 1 11 ALA MB 1 87 GLU HG2 . . 4.510 4.018 3.758 4.259 . 0 0 "[ . 1 . 2]" 1
51 1 11 ALA MB 1 87 GLU HG3 . . 4.490 4.159 3.860 4.455 . 0 0 "[ . 1 . 2]" 1
52 1 11 ALA MB 1 89 ILE HA . . 3.470 2.505 2.172 2.789 . 0 0 "[ . 1 . 2]" 1
53 1 11 ALA MB 1 89 ILE MG . . 3.290 1.933 1.818 2.201 . 0 0 "[ . 1 . 2]" 1
54 1 12 HIS H 1 12 HIS HB2 . . 3.670 3.600 3.587 3.620 . 0 0 "[ . 1 . 2]" 1
55 1 12 HIS H 1 12 HIS QB . . 3.100 2.409 2.353 2.480 . 0 0 "[ . 1 . 2]" 1
56 1 12 HIS H 1 12 HIS HB3 . . 3.670 2.448 2.386 2.527 . 0 0 "[ . 1 . 2]" 1
57 1 12 HIS H 1 12 HIS HD2 . . 5.140 5.011 4.789 5.144 0.004 11 0 "[ . 1 . 2]" 1
58 1 12 HIS H 1 13 LYS H . . 3.340 2.908 2.740 3.040 . 0 0 "[ . 1 . 2]" 1
59 1 12 HIS HA 1 89 ILE HB . . 4.730 4.310 4.041 4.591 . 0 0 "[ . 1 . 2]" 1
60 1 12 HIS HA 1 89 ILE MG . . 3.870 3.316 2.868 3.686 . 0 0 "[ . 1 . 2]" 1
61 1 12 HIS HA 1 90 PRO HB2 . . 5.190 5.052 4.799 5.193 0.003 4 0 "[ . 1 . 2]" 1
62 1 12 HIS HA 1 90 PRO HB3 . . 4.540 4.421 4.224 4.541 0.001 4 0 "[ . 1 . 2]" 1
63 1 12 HIS HA 1 90 PRO HD2 . . 3.750 2.523 2.264 2.765 . 0 0 "[ . 1 . 2]" 1
64 1 12 HIS HA 1 90 PRO HD3 . . 3.840 2.238 2.002 2.454 . 0 0 "[ . 1 . 2]" 1
65 1 12 HIS HA 1 90 PRO HG2 . . 3.830 3.426 3.039 3.592 . 0 0 "[ . 1 . 2]" 1
66 1 12 HIS HA 1 90 PRO HG3 . . 4.040 2.518 2.288 2.668 . 0 0 "[ . 1 . 2]" 1
67 1 12 HIS QB 1 90 PRO HD2 . . 4.540 4.206 3.934 4.409 . 0 0 "[ . 1 . 2]" 1
68 1 12 HIS QB 1 90 PRO HG3 . . 4.840 3.086 2.722 3.303 . 0 0 "[ . 1 . 2]" 1
69 1 12 HIS HB2 1 13 LYS H . . 4.650 3.843 3.554 4.013 . 0 0 "[ . 1 . 2]" 1
70 1 12 HIS HB2 1 90 PRO HB3 . . 5.500 5.046 4.650 5.352 . 0 0 "[ . 1 . 2]" 1
71 1 12 HIS HB2 1 90 PRO HD2 . . 5.150 4.770 4.481 5.063 . 0 0 "[ . 1 . 2]" 1
72 1 12 HIS HB2 1 90 PRO HG2 . . 5.500 4.764 4.379 5.084 . 0 0 "[ . 1 . 2]" 1
73 1 12 HIS HB3 1 13 LYS H . . 4.650 3.968 3.844 4.104 . 0 0 "[ . 1 . 2]" 1
74 1 12 HIS HB3 1 90 PRO HB3 . . 5.500 5.034 4.627 5.244 . 0 0 "[ . 1 . 2]" 1
75 1 12 HIS HB3 1 90 PRO HD2 . . 5.150 4.677 4.357 4.876 . 0 0 "[ . 1 . 2]" 1
76 1 12 HIS HB3 1 90 PRO HG2 . . 5.500 5.313 4.907 5.502 0.002 4 0 "[ . 1 . 2]" 1
77 1 12 HIS HD2 1 13 LYS HE2 . . 4.890 4.238 3.653 4.873 . 0 0 "[ . 1 . 2]" 1
78 1 12 HIS HD2 1 13 LYS HE3 . . 4.920 2.591 2.145 3.130 . 0 0 "[ . 1 . 2]" 1
79 1 12 HIS HD2 1 13 LYS HG2 . . 4.830 3.012 2.619 3.464 . 0 0 "[ . 1 . 2]" 1
80 1 12 HIS HD2 1 13 LYS QG . . 4.240 2.971 2.599 3.390 . 0 0 "[ . 1 . 2]" 1
81 1 12 HIS HD2 1 13 LYS HG3 . . 4.830 4.570 4.290 4.817 . 0 0 "[ . 1 . 2]" 1
82 1 12 HIS HE1 1 13 LYS HE3 . . 5.320 5.125 4.689 5.308 . 0 0 "[ . 1 . 2]" 1
83 1 13 LYS H 1 13 LYS HB2 . . 3.660 2.421 2.252 2.496 . 0 0 "[ . 1 . 2]" 1
84 1 13 LYS H 1 13 LYS QB . . 3.170 2.385 2.228 2.456 . 0 0 "[ . 1 . 2]" 1
85 1 13 LYS H 1 13 LYS HB3 . . 3.660 3.605 3.531 3.663 0.003 5 0 "[ . 1 . 2]" 1
86 1 13 LYS H 1 13 LYS QD . . 5.020 4.384 4.220 4.505 . 0 0 "[ . 1 . 2]" 1
87 1 13 LYS H 1 13 LYS HG2 . . 3.770 2.527 2.269 2.768 . 0 0 "[ . 1 . 2]" 1
88 1 13 LYS H 1 13 LYS HG3 . . 3.770 3.523 3.387 3.735 . 0 0 "[ . 1 . 2]" 1
89 1 13 LYS H 1 14 VAL HB . . 5.120 4.700 4.251 5.022 . 0 0 "[ . 1 . 2]" 1
90 1 13 LYS H 1 14 VAL MG2 . . 4.170 3.861 3.439 4.169 . 0 0 "[ . 1 . 2]" 1
91 1 13 LYS HA 1 13 LYS HD2 . . 4.090 4.030 3.942 4.091 0.001 11 0 "[ . 1 . 2]" 1
92 1 13 LYS HA 1 13 LYS QD . . 3.470 3.078 2.963 3.181 . 0 0 "[ . 1 . 2]" 1
93 1 13 LYS HA 1 13 LYS HD3 . . 4.090 3.196 3.059 3.346 . 0 0 "[ . 1 . 2]" 1
94 1 13 LYS HA 1 13 LYS HE2 . . 4.610 2.069 2.000 2.191 . 0 0 "[ . 1 . 2]" 1
95 1 13 LYS HA 1 13 LYS HE3 . . 4.650 2.556 2.148 2.899 . 0 0 "[ . 1 . 2]" 1
96 1 13 LYS HA 1 13 LYS HG2 . . 3.890 2.706 2.510 2.837 . 0 0 "[ . 1 . 2]" 1
97 1 13 LYS HA 1 13 LYS QG . . 3.370 2.647 2.469 2.763 . 0 0 "[ . 1 . 2]" 1
98 1 13 LYS HA 1 13 LYS HG3 . . 3.890 3.756 3.660 3.810 . 0 0 "[ . 1 . 2]" 1
99 1 13 LYS QB 1 13 LYS HE2 . . 3.920 3.066 2.853 3.212 . 0 0 "[ . 1 . 2]" 1
100 1 13 LYS QB 1 14 VAL H . . 4.180 3.130 2.207 3.867 . 0 0 "[ . 1 . 2]" 1
101 1 13 LYS QB 1 14 VAL HA . . 4.880 4.075 3.746 4.370 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS QB 1 14 VAL MG2 . . 4.780 3.283 3.095 3.424 . 0 0 "[ . 1 . 2]" 1
103 1 13 LYS QB 1 39 ALA HA . . 3.670 2.914 2.125 3.631 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS QB 1 39 ALA MB . . 4.290 2.776 2.010 3.676 . 0 0 "[ . 1 . 2]" 1
105 1 13 LYS HB2 1 13 LYS HE2 . . 4.570 4.246 4.123 4.328 . 0 0 "[ . 1 . 2]" 1
106 1 13 LYS HB2 1 13 LYS HE3 . . 4.590 4.270 4.128 4.368 . 0 0 "[ . 1 . 2]" 1
107 1 13 LYS HB2 1 14 VAL H . . 4.890 3.339 2.263 4.256 . 0 0 "[ . 1 . 2]" 1
108 1 13 LYS HB2 1 39 ALA HA . . 4.370 3.174 2.427 3.931 . 0 0 "[ . 1 . 2]" 1
109 1 13 LYS HB3 1 13 LYS HE2 . . 4.570 3.146 2.908 3.316 . 0 0 "[ . 1 . 2]" 1
110 1 13 LYS HB3 1 13 LYS HE3 . . 4.590 3.817 3.602 3.979 . 0 0 "[ . 1 . 2]" 1
111 1 13 LYS HB3 1 14 VAL H . . 4.890 3.897 3.065 4.464 . 0 0 "[ . 1 . 2]" 1
112 1 13 LYS HB3 1 39 ALA HA . . 4.370 3.438 2.336 4.269 . 0 0 "[ . 1 . 2]" 1
113 1 13 LYS QD 1 38 GLU QB . . 4.280 2.971 1.989 4.048 . 0 0 "[ . 1 . 2]" 1
114 1 13 LYS HE2 1 13 LYS HG2 . . 4.050 3.114 3.002 3.241 . 0 0 "[ . 1 . 2]" 1
115 1 13 LYS HE2 1 13 LYS HG3 . . 4.050 3.941 3.912 3.968 . 0 0 "[ . 1 . 2]" 1
116 1 13 LYS HE3 1 13 LYS HG2 . . 4.050 2.144 2.101 2.226 . 0 0 "[ . 1 . 2]" 1
117 1 13 LYS HE3 1 13 LYS HG3 . . 4.050 3.461 3.419 3.531 . 0 0 "[ . 1 . 2]" 1
118 1 13 LYS QG 1 39 ALA HA . . 4.410 3.869 2.821 4.409 . 0 0 "[ . 1 . 2]" 1
119 1 14 VAL H 1 14 VAL HB . . 3.520 2.662 2.450 2.804 . 0 0 "[ . 1 . 2]" 1
120 1 14 VAL H 1 14 VAL MG1 . . 4.260 3.802 3.750 3.898 . 0 0 "[ . 1 . 2]" 1
121 1 14 VAL H 1 14 VAL MG2 . . 3.660 2.561 1.879 3.251 . 0 0 "[ . 1 . 2]" 1
122 1 14 VAL H 1 89 ILE MG . . 4.130 3.521 3.030 3.947 . 0 0 "[ . 1 . 2]" 1
123 1 14 VAL HA 1 14 VAL MG1 . . 3.620 2.420 2.250 2.514 . 0 0 "[ . 1 . 2]" 1
124 1 14 VAL HA 1 14 VAL MG2 . . 3.710 2.326 2.215 2.427 . 0 0 "[ . 1 . 2]" 1
125 1 14 VAL HA 1 39 ALA MB . . 4.780 3.394 2.428 4.226 . 0 0 "[ . 1 . 2]" 1
126 1 14 VAL HB 1 89 ILE HB . . 4.650 4.263 3.756 4.621 . 0 0 "[ . 1 . 2]" 1
127 1 14 VAL HB 1 89 ILE MD . . 4.050 3.614 3.093 4.026 . 0 0 "[ . 1 . 2]" 1
128 1 14 VAL HB 1 89 ILE MG . . 3.230 2.120 1.908 2.400 . 0 0 "[ . 1 . 2]" 1
129 1 14 VAL MG1 1 15 ARG H . . 4.020 2.423 1.903 2.996 . 0 0 "[ . 1 . 2]" 1
130 1 14 VAL MG1 1 36 THR HA . . 4.240 3.554 2.793 4.100 . 0 0 "[ . 1 . 2]" 1
131 1 14 VAL MG1 1 36 THR MG . . 3.350 2.546 1.722 3.317 . 0 0 "[ . 1 . 2]" 1
132 1 14 VAL MG1 1 89 ILE MG . . 3.030 2.707 2.173 3.002 . 0 0 "[ . 1 . 2]" 1
133 1 14 VAL MG2 1 15 ARG H . . 4.950 3.923 3.638 4.131 . 0 0 "[ . 1 . 2]" 1
134 1 14 VAL MG2 1 36 THR HA . . 4.150 3.662 2.586 4.100 . 0 0 "[ . 1 . 2]" 1
135 1 14 VAL MG2 1 36 THR MG . . 3.880 2.710 1.966 3.565 . 0 0 "[ . 1 . 2]" 1
136 1 14 VAL MG2 1 39 ALA MB . . 3.380 2.076 1.747 2.868 . 0 0 "[ . 1 . 2]" 1
137 1 14 VAL MG2 1 84 PHE HB2 . . 4.260 3.077 2.625 3.557 . 0 0 "[ . 1 . 2]" 1
138 1 14 VAL MG2 1 84 PHE QB . . 3.710 2.815 2.479 3.211 . 0 0 "[ . 1 . 2]" 1
139 1 14 VAL MG2 1 84 PHE HB3 . . 4.260 3.283 2.867 3.656 . 0 0 "[ . 1 . 2]" 1
140 1 14 VAL MG2 1 84 PHE QD . . 4.180 2.689 2.411 2.970 . 0 0 "[ . 1 . 2]" 1
141 1 14 VAL MG2 1 89 ILE MG . . 3.450 3.197 2.818 3.438 . 0 0 "[ . 1 . 2]" 1
142 1 15 ARG HA 1 15 ARG HD2 . . 4.800 4.024 2.499 4.708 . 0 0 "[ . 1 . 2]" 1
143 1 15 ARG HA 1 15 ARG QD . . 4.070 3.487 1.995 4.080 0.010 18 0 "[ . 1 . 2]" 1
144 1 15 ARG HA 1 15 ARG HD3 . . 4.800 4.015 2.010 4.741 . 0 0 "[ . 1 . 2]" 1
145 1 15 ARG HA 1 16 ALA MB . . 4.710 3.871 3.718 3.992 . 0 0 "[ . 1 . 2]" 1
146 1 15 ARG HA 1 89 ILE MD . . 4.470 4.084 3.508 4.444 . 0 0 "[ . 1 . 2]" 1
147 1 15 ARG QB 1 16 ALA H . . 4.580 3.247 2.317 3.872 . 0 0 "[ . 1 . 2]" 1
148 1 16 ALA H 1 89 ILE MD . . 4.610 4.248 3.938 4.560 . 0 0 "[ . 1 . 2]" 1
149 1 16 ALA H 1 94 TYR QE . . 4.780 4.233 3.671 4.635 . 0 0 "[ . 1 . 2]" 1
150 1 16 ALA HA 1 34 ILE HA . . 4.020 3.259 2.491 3.864 . 0 0 "[ . 1 . 2]" 1
151 1 16 ALA HA 1 34 ILE MG . . 4.720 3.032 2.040 4.480 . 0 0 "[ . 1 . 2]" 1
152 1 16 ALA MB 1 17 GLY H . . 3.870 2.888 2.371 3.333 . 0 0 "[ . 1 . 2]" 1
153 1 16 ALA MB 1 21 LEU MD1 . . 3.130 2.451 1.902 2.842 . 0 0 "[ . 1 . 2]" 1
154 1 16 ALA MB 1 21 LEU MD2 . . 4.320 3.834 3.352 4.197 . 0 0 "[ . 1 . 2]" 1
155 1 16 ALA MB 1 32 PHE QD . . 4.270 3.856 3.381 4.168 . 0 0 "[ . 1 . 2]" 1
156 1 16 ALA MB 1 32 PHE QE . . 4.650 4.003 3.021 4.424 . 0 0 "[ . 1 . 2]" 1
157 1 16 ALA MB 1 34 ILE HA . . 4.180 3.626 2.999 4.181 0.001 13 0 "[ . 1 . 2]" 1
158 1 16 ALA MB 1 82 ILE MD . . 3.260 3.015 2.677 3.264 0.004 18 0 "[ . 1 . 2]" 1
159 1 16 ALA MB 1 89 ILE MD . . 3.430 3.263 3.112 3.437 0.007 17 0 "[ . 1 . 2]" 1
160 1 16 ALA MB 1 94 TYR QD . . 4.890 4.311 3.963 4.682 . 0 0 "[ . 1 . 2]" 1
161 1 16 ALA MB 1 94 TYR QE . . 4.140 2.959 2.655 3.263 . 0 0 "[ . 1 . 2]" 1
162 1 17 GLY H 1 21 LEU MD1 . . 4.640 3.328 2.779 3.947 . 0 0 "[ . 1 . 2]" 1
163 1 17 GLY QA 1 21 LEU MD1 . . 3.680 2.603 1.986 3.383 . 0 0 "[ . 1 . 2]" 1
164 1 18 GLY H 1 21 LEU MD1 . . 4.530 3.297 1.865 4.500 . 0 0 "[ . 1 . 2]" 1
165 1 19 PRO HA 1 22 GLU QB . . 4.920 4.054 3.083 4.861 . 0 0 "[ . 1 . 2]" 1
166 1 19 PRO HA 1 22 GLU HG2 . . 4.770 3.456 2.523 4.752 . 0 0 "[ . 1 . 2]" 1
167 1 19 PRO HA 1 22 GLU QG . . 4.190 2.982 2.107 4.053 . 0 0 "[ . 1 . 2]" 1
168 1 19 PRO HA 1 22 GLU HG3 . . 4.770 3.709 2.258 4.762 . 0 0 "[ . 1 . 2]" 1
169 1 20 GLY H 1 21 LEU H . . 4.270 2.574 1.983 3.389 . 0 0 "[ . 1 . 2]" 1
170 1 20 GLY QA 1 30 ALA MB . . 3.510 2.678 2.261 3.098 . 0 0 "[ . 1 . 2]" 1
171 1 20 GLY QA 1 70 TYR QE . . 4.320 4.068 3.591 4.315 . 0 0 "[ . 1 . 2]" 1
172 1 20 GLY HA2 1 30 ALA MB . . 4.030 2.989 2.497 3.488 . 0 0 "[ . 1 . 2]" 1
173 1 20 GLY HA3 1 30 ALA MB . . 4.030 3.135 2.562 3.985 . 0 0 "[ . 1 . 2]" 1
174 1 21 LEU H 1 21 LEU HB2 . . 4.080 2.388 2.229 2.592 . 0 0 "[ . 1 . 2]" 1
175 1 21 LEU H 1 21 LEU QB . . 3.430 2.355 2.206 2.547 . 0 0 "[ . 1 . 2]" 1
176 1 21 LEU H 1 21 LEU HB3 . . 4.080 3.589 3.525 3.743 . 0 0 "[ . 1 . 2]" 1
177 1 21 LEU H 1 21 LEU MD1 . . 4.340 3.647 3.449 4.102 . 0 0 "[ . 1 . 2]" 1
178 1 21 LEU H 1 21 LEU MD2 . . 4.280 3.753 3.269 4.244 . 0 0 "[ . 1 . 2]" 1
179 1 21 LEU H 1 21 LEU HG . . 3.890 2.656 2.184 3.551 . 0 0 "[ . 1 . 2]" 1
180 1 21 LEU H 1 22 GLU H . . 3.390 2.457 1.977 2.861 . 0 0 "[ . 1 . 2]" 1
181 1 21 LEU H 1 22 GLU QB . . 5.340 4.601 3.926 5.111 . 0 0 "[ . 1 . 2]" 1
182 1 21 LEU H 1 22 GLU QG . . 4.370 3.751 2.943 4.247 . 0 0 "[ . 1 . 2]" 1
183 1 21 LEU H 1 23 ARG H . . 4.530 4.288 3.364 4.530 . 0 0 "[ . 1 . 2]" 1
184 1 21 LEU H 1 32 PHE QB . . 4.600 3.346 2.251 4.379 . 0 0 "[ . 1 . 2]" 1
185 1 21 LEU HA 1 21 LEU MD1 . . 3.950 3.871 3.807 3.911 . 0 0 "[ . 1 . 2]" 1
186 1 21 LEU HA 1 21 LEU MD2 . . 3.220 2.149 1.968 2.383 . 0 0 "[ . 1 . 2]" 1
187 1 21 LEU HA 1 70 TYR QE . . 5.500 4.532 4.068 4.954 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU HA 1 96 VAL MG1 . . 3.990 2.672 2.269 3.116 . 0 0 "[ . 1 . 2]" 1
189 1 21 LEU HA 1 96 VAL MG2 . . 3.410 2.317 1.975 2.813 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU QB 1 21 LEU MD1 . . 3.040 2.065 1.996 2.096 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU QB 1 94 TYR QB . . 4.910 3.846 3.219 4.363 . 0 0 "[ . 1 . 2]" 1
192 1 21 LEU QB 1 94 TYR QD . . 4.290 3.417 2.652 4.008 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU HB2 1 21 LEU MD1 . . 3.570 2.254 2.077 2.414 . 0 0 "[ . 1 . 2]" 1
194 1 21 LEU HB3 1 21 LEU MD1 . . 3.570 2.417 2.267 2.586 . 0 0 "[ . 1 . 2]" 1
195 1 21 LEU MD1 1 32 PHE QB . . 4.150 3.028 2.375 3.612 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU MD1 1 32 PHE QD . . 4.210 3.174 2.266 4.046 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU MD1 1 82 ILE MD . . 3.720 3.615 3.383 3.725 0.005 4 0 "[ . 1 . 2]" 1
198 1 21 LEU MD1 1 94 TYR QB . . 4.720 4.081 3.833 4.512 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU MD1 1 94 TYR QD . . 4.660 3.282 2.802 4.034 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU MD1 1 94 TYR QE . . 4.130 3.181 2.515 3.919 . 0 0 "[ . 1 . 2]" 1
201 1 21 LEU MD2 1 32 PHE QD . . 4.380 3.409 2.770 4.118 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU MD2 1 32 PHE QE . . 4.350 3.327 2.634 4.011 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU MD2 1 32 PHE HZ . . 4.900 3.824 2.997 4.675 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU MD2 1 70 TYR QE . . 4.920 3.956 3.392 4.545 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU MD2 1 80 VAL HB . . 4.090 3.776 3.473 3.972 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU MD2 1 80 VAL MG1 . . 3.940 3.759 3.440 3.941 0.001 12 0 "[ . 1 . 2]" 1
207 1 21 LEU MD2 1 80 VAL MG2 . . 3.790 3.472 3.087 3.773 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU MD2 1 82 ILE MD . . 3.390 3.213 2.969 3.390 0.000 6 0 "[ . 1 . 2]" 1
209 1 21 LEU MD2 1 94 TYR QB . . 3.800 2.712 2.394 3.177 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU MD2 1 94 TYR QD . . 4.050 3.041 2.296 3.643 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU MD2 1 94 TYR QE . . 4.490 4.012 3.541 4.476 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU MD2 1 96 VAL MG1 . . 4.610 3.835 3.477 4.263 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU MD2 1 96 VAL MG2 . . 3.830 2.515 2.191 2.721 . 0 0 "[ . 1 . 2]" 1
214 1 21 LEU HG 1 32 PHE QB . . 4.380 2.739 2.040 3.242 . 0 0 "[ . 1 . 2]" 1
215 1 21 LEU HG 1 32 PHE QD . . 4.940 3.449 2.802 4.025 . 0 0 "[ . 1 . 2]" 1
216 1 22 GLU H 1 22 GLU QB . . 3.670 2.544 2.288 2.670 . 0 0 "[ . 1 . 2]" 1
217 1 22 GLU H 1 22 GLU HG2 . . 4.280 2.317 1.900 3.495 . 0 0 "[ . 1 . 2]" 1
218 1 22 GLU H 1 22 GLU HG3 . . 4.280 3.025 1.906 4.054 . 0 0 "[ . 1 . 2]" 1
219 1 22 GLU H 1 23 ARG H . . 3.380 2.785 2.427 3.156 . 0 0 "[ . 1 . 2]" 1
220 1 22 GLU H 1 96 VAL MG1 . . 4.560 4.199 3.755 4.482 . 0 0 "[ . 1 . 2]" 1
221 1 22 GLU HA 1 22 GLU HG2 . . 4.150 3.321 2.434 4.180 0.030 8 0 "[ . 1 . 2]" 1
222 1 22 GLU HA 1 22 GLU QG . . 3.600 3.042 2.388 3.396 . 0 0 "[ . 1 . 2]" 1
223 1 22 GLU HA 1 22 GLU HG3 . . 4.150 3.744 3.460 4.195 0.045 17 0 "[ . 1 . 2]" 1
224 1 22 GLU QB 1 23 ARG H . . 3.540 2.863 2.171 3.503 . 0 0 "[ . 1 . 2]" 1
225 1 22 GLU HB2 1 23 ARG H . . 4.050 3.036 2.197 3.993 . 0 0 "[ . 1 . 2]" 1
226 1 22 GLU HB3 1 23 ARG H . . 4.050 3.699 3.259 4.039 . 0 0 "[ . 1 . 2]" 1
227 1 22 GLU QG 1 23 ARG H . . 4.020 2.864 1.934 3.978 . 0 0 "[ . 1 . 2]" 1
228 1 22 GLU HG2 1 23 ARG H . . 4.640 3.489 2.109 4.633 . 0 0 "[ . 1 . 2]" 1
229 1 22 GLU HG3 1 23 ARG H . . 4.640 3.234 1.967 4.624 . 0 0 "[ . 1 . 2]" 1
230 1 23 ARG H 1 23 ARG HG2 . . 5.040 4.710 4.602 4.850 . 0 0 "[ . 1 . 2]" 1
231 1 23 ARG H 1 23 ARG QG . . 4.400 4.143 3.694 4.278 . 0 0 "[ . 1 . 2]" 1
232 1 23 ARG H 1 23 ARG HG3 . . 5.040 4.670 3.840 5.017 . 0 0 "[ . 1 . 2]" 1
233 1 23 ARG H 1 96 VAL MG1 . . 4.370 3.260 2.936 3.594 . 0 0 "[ . 1 . 2]" 1
234 1 23 ARG HA 1 23 ARG HG2 . . 4.190 2.535 2.193 2.792 . 0 0 "[ . 1 . 2]" 1
235 1 23 ARG HA 1 23 ARG QG . . 3.680 2.294 2.171 2.337 . 0 0 "[ . 1 . 2]" 1
236 1 23 ARG HA 1 23 ARG HG3 . . 4.190 2.699 2.380 3.481 . 0 0 "[ . 1 . 2]" 1
237 1 23 ARG HA 1 24 GLY H . . 3.180 2.323 2.192 2.654 . 0 0 "[ . 1 . 2]" 1
238 1 23 ARG HA 1 96 VAL MG1 . . 3.390 2.298 1.996 2.652 . 0 0 "[ . 1 . 2]" 1
239 1 23 ARG HA 1 97 PRO QD . . 4.040 2.720 2.307 2.955 . 0 0 "[ . 1 . 2]" 1
240 1 23 ARG HA 1 97 PRO HG2 . . 4.630 3.028 2.569 3.252 . 0 0 "[ . 1 . 2]" 1
241 1 23 ARG HA 1 97 PRO QG . . 3.910 2.981 2.539 3.191 . 0 0 "[ . 1 . 2]" 1
242 1 23 ARG HA 1 97 PRO HG3 . . 4.630 4.476 3.967 4.633 0.003 12 0 "[ . 1 . 2]" 1
243 1 23 ARG QB 1 24 GLY H . . 3.570 3.147 1.967 3.566 . 0 0 "[ . 1 . 2]" 1
244 1 23 ARG QD 1 99 ILE MD . . 3.960 3.393 2.941 3.959 . 0 0 "[ . 1 . 2]" 1
245 1 23 ARG QD 1 99 ILE MG . . 4.190 3.838 3.110 4.191 0.001 16 0 "[ . 1 . 2]" 1
246 1 23 ARG QG 1 97 PRO QG . . 3.520 2.237 1.932 2.555 . 0 0 "[ . 1 . 2]" 1
247 1 23 ARG HG2 1 24 GLY H . . 4.110 2.458 1.970 3.301 . 0 0 "[ . 1 . 2]" 1
248 1 23 ARG HG2 1 97 PRO HG2 . . 4.910 2.935 2.032 3.186 . 0 0 "[ . 1 . 2]" 1
249 1 23 ARG HG2 1 97 PRO HG3 . . 4.910 4.641 3.663 4.909 . 0 0 "[ . 1 . 2]" 1
250 1 23 ARG HG3 1 24 GLY H . . 4.110 3.748 3.318 4.153 0.043 17 0 "[ . 1 . 2]" 1
251 1 23 ARG HG3 1 97 PRO HG2 . . 4.910 2.478 2.093 3.594 . 0 0 "[ . 1 . 2]" 1
252 1 23 ARG HG3 1 97 PRO HG3 . . 4.910 3.869 3.554 4.907 . 0 0 "[ . 1 . 2]" 1
253 1 24 GLY H 1 96 VAL MG1 . . 3.440 2.641 2.146 3.404 . 0 0 "[ . 1 . 2]" 1
254 1 24 GLY H 1 98 VAL HA . . 3.430 2.794 2.451 3.111 . 0 0 "[ . 1 . 2]" 1
255 1 24 GLY H 1 98 VAL MG2 . . 4.080 3.380 3.011 3.851 . 0 0 "[ . 1 . 2]" 1
256 1 24 GLY H 1 99 ILE H . . 4.450 4.209 3.450 4.451 0.001 8 0 "[ . 1 . 2]" 1
257 1 24 GLY QA 1 30 ALA MB . . 4.210 3.040 2.480 3.534 . 0 0 "[ . 1 . 2]" 1
258 1 24 GLY QA 1 96 VAL MG1 . . 3.710 2.606 2.203 2.958 . 0 0 "[ . 1 . 2]" 1
259 1 24 GLY QA 1 98 VAL HA . . 4.120 3.067 2.499 3.407 . 0 0 "[ . 1 . 2]" 1
260 1 24 GLY QA 1 98 VAL MG1 . . 3.940 3.149 2.545 3.458 . 0 0 "[ . 1 . 2]" 1
261 1 24 GLY QA 1 98 VAL MG2 . . 3.440 2.214 1.970 2.420 . 0 0 "[ . 1 . 2]" 1
262 1 24 GLY HA2 1 25 GLU H . . 3.480 2.486 2.377 2.624 . 0 0 "[ . 1 . 2]" 1
263 1 24 GLY HA2 1 96 VAL MG1 . . 4.580 3.507 3.155 3.820 . 0 0 "[ . 1 . 2]" 1
264 1 24 GLY HA2 1 98 VAL HA . . 4.830 4.290 3.817 4.627 . 0 0 "[ . 1 . 2]" 1
265 1 24 GLY HA2 1 98 VAL MG1 . . 4.540 4.202 3.526 4.540 0.000 11 0 "[ . 1 . 2]" 1
266 1 24 GLY HA2 1 98 VAL MG2 . . 3.970 3.779 3.555 3.954 . 0 0 "[ . 1 . 2]" 1
267 1 24 GLY HA3 1 25 GLU H . . 3.480 2.646 2.506 2.768 . 0 0 "[ . 1 . 2]" 1
268 1 24 GLY HA3 1 96 VAL MG1 . . 4.580 2.691 2.239 3.088 . 0 0 "[ . 1 . 2]" 1
269 1 24 GLY HA3 1 98 VAL HA . . 4.830 3.143 2.534 3.507 . 0 0 "[ . 1 . 2]" 1
270 1 24 GLY HA3 1 98 VAL MG1 . . 4.540 3.254 2.611 3.593 . 0 0 "[ . 1 . 2]" 1
271 1 24 GLY HA3 1 98 VAL MG2 . . 3.970 2.230 1.980 2.444 . 0 0 "[ . 1 . 2]" 1
272 1 25 GLU H 1 25 GLU HB2 . . 3.730 2.616 2.507 2.732 . 0 0 "[ . 1 . 2]" 1
273 1 25 GLU H 1 25 GLU HB3 . . 3.900 3.694 3.633 3.771 . 0 0 "[ . 1 . 2]" 1
274 1 25 GLU H 1 25 GLU QG . . 4.100 3.775 3.456 4.031 . 0 0 "[ . 1 . 2]" 1
275 1 25 GLU H 1 26 ALA H . . 4.580 4.329 4.105 4.457 . 0 0 "[ . 1 . 2]" 1
276 1 25 GLU H 1 28 VAL HB . . 4.170 3.443 3.253 3.692 . 0 0 "[ . 1 . 2]" 1
277 1 25 GLU H 1 28 VAL MG2 . . 4.730 4.604 4.307 4.731 0.001 11 0 "[ . 1 . 2]" 1
278 1 25 GLU H 1 98 VAL MG1 . . 4.250 2.862 2.370 3.200 . 0 0 "[ . 1 . 2]" 1
279 1 25 GLU HA 1 25 GLU QG . . 3.600 2.235 2.160 2.336 . 0 0 "[ . 1 . 2]" 1
280 1 25 GLU HA 1 26 ALA H . . 2.890 2.221 2.139 2.380 . 0 0 "[ . 1 . 2]" 1
281 1 25 GLU HA 1 26 ALA HA . . 4.860 4.343 4.324 4.391 . 0 0 "[ . 1 . 2]" 1
282 1 25 GLU HA 1 28 VAL HB . . 4.900 4.536 4.262 4.797 . 0 0 "[ . 1 . 2]" 1
283 1 25 GLU HA 1 98 VAL HA . . 4.560 3.551 3.207 3.896 . 0 0 "[ . 1 . 2]" 1
284 1 25 GLU HA 1 98 VAL MG1 . . 3.740 2.301 2.017 2.657 . 0 0 "[ . 1 . 2]" 1
285 1 25 GLU HA 1 99 ILE H . . 3.470 2.310 1.965 2.695 . 0 0 "[ . 1 . 2]" 1
286 1 25 GLU HA 1 99 ILE MD . . 4.700 4.600 4.386 4.701 0.001 8 0 "[ . 1 . 2]" 1
287 1 25 GLU HA 1 99 ILE HG12 . . 4.110 3.943 3.718 4.085 . 0 0 "[ . 1 . 2]" 1
288 1 25 GLU HA 1 99 ILE HG13 . . 4.310 3.166 2.945 3.293 . 0 0 "[ . 1 . 2]" 1
289 1 25 GLU HB2 1 26 ALA H . . 4.510 4.211 3.855 4.487 . 0 0 "[ . 1 . 2]" 1
290 1 25 GLU HB2 1 28 VAL H . . 4.410 4.188 3.994 4.410 . 0 0 "[ . 1 . 2]" 1
291 1 25 GLU HB2 1 28 VAL HB . . 3.520 2.214 1.998 2.480 . 0 0 "[ . 1 . 2]" 1
292 1 25 GLU HB2 1 28 VAL MG1 . . 3.750 3.013 2.536 3.450 . 0 0 "[ . 1 . 2]" 1
293 1 25 GLU HB2 1 28 VAL MG2 . . 3.430 2.790 2.508 3.135 . 0 0 "[ . 1 . 2]" 1
294 1 25 GLU HB2 1 99 ILE H . . 5.410 5.173 4.865 5.394 . 0 0 "[ . 1 . 2]" 1
295 1 25 GLU HB3 1 26 ALA H . . 4.000 3.073 2.511 3.600 . 0 0 "[ . 1 . 2]" 1
296 1 25 GLU HB3 1 28 VAL H . . 4.410 3.916 3.513 4.388 . 0 0 "[ . 1 . 2]" 1
297 1 25 GLU HB3 1 28 VAL HB . . 3.490 2.814 2.423 3.044 . 0 0 "[ . 1 . 2]" 1
298 1 25 GLU HB3 1 28 VAL MG1 . . 4.290 3.905 3.333 4.280 . 0 0 "[ . 1 . 2]" 1
299 1 25 GLU HB3 1 28 VAL MG2 . . 3.420 2.322 2.020 2.649 . 0 0 "[ . 1 . 2]" 1
300 1 25 GLU HB3 1 101 PRO HD2 . . 4.040 3.897 3.558 4.042 0.002 9 0 "[ . 1 . 2]" 1
301 1 25 GLU HB3 1 101 PRO QG . . 3.910 2.511 2.255 2.816 . 0 0 "[ . 1 . 2]" 1
302 1 25 GLU QG 1 26 ALA H . . 3.890 3.626 3.336 3.894 0.004 9 0 "[ . 1 . 2]" 1
303 1 25 GLU QG 1 26 ALA MB . . 5.500 4.918 4.762 5.056 . 0 0 "[ . 1 . 2]" 1
304 1 25 GLU QG 1 28 VAL MG2 . . 3.880 3.503 2.884 3.877 . 0 0 "[ . 1 . 2]" 1
305 1 25 GLU QG 1 98 VAL MG1 . . 4.520 4.022 3.773 4.372 . 0 0 "[ . 1 . 2]" 1
306 1 25 GLU QG 1 99 ILE H . . 3.680 3.488 3.202 3.680 0.000 16 0 "[ . 1 . 2]" 1
307 1 25 GLU QG 1 99 ILE MD . . 4.060 3.342 2.899 3.678 . 0 0 "[ . 1 . 2]" 1
308 1 25 GLU QG 1 99 ILE HG12 . . 3.800 3.494 2.987 3.783 . 0 0 "[ . 1 . 2]" 1
309 1 25 GLU QG 1 99 ILE HG13 . . 3.860 2.632 2.058 3.001 . 0 0 "[ . 1 . 2]" 1
310 1 25 GLU QG 1 99 ILE MG . . 5.500 4.829 4.440 5.072 . 0 0 "[ . 1 . 2]" 1
311 1 25 GLU QG 1 101 PRO HA . . 3.950 3.813 3.544 3.953 0.003 14 0 "[ . 1 . 2]" 1
312 1 25 GLU QG 1 101 PRO HD3 . . 3.570 2.847 2.608 3.086 . 0 0 "[ . 1 . 2]" 1
313 1 26 ALA H 1 26 ALA MB . . 2.970 2.188 2.035 2.284 . 0 0 "[ . 1 . 2]" 1
314 1 26 ALA H 1 98 VAL MG1 . . 3.370 2.469 1.985 2.937 . 0 0 "[ . 1 . 2]" 1
315 1 26 ALA H 1 99 ILE H . . 3.980 3.371 2.751 3.899 . 0 0 "[ . 1 . 2]" 1
316 1 26 ALA H 1 99 ILE HG13 . . 4.380 4.120 3.913 4.311 . 0 0 "[ . 1 . 2]" 1
317 1 26 ALA H 1 100 ALA HA . . 3.850 2.853 2.600 3.214 . 0 0 "[ . 1 . 2]" 1
318 1 26 ALA H 1 100 ALA MB . . 4.500 4.261 4.028 4.473 . 0 0 "[ . 1 . 2]" 1
319 1 26 ALA H 1 101 PRO HD2 . . 4.430 3.323 2.870 3.819 . 0 0 "[ . 1 . 2]" 1
320 1 26 ALA H 1 101 PRO HD3 . . 3.940 2.451 2.002 2.879 . 0 0 "[ . 1 . 2]" 1
321 1 26 ALA H 1 101 PRO QG . . 4.460 4.058 3.558 4.465 0.005 18 0 "[ . 1 . 2]" 1
322 1 26 ALA HA 1 27 GLY H . . 2.950 2.155 2.144 2.175 . 0 0 "[ . 1 . 2]" 1
323 1 26 ALA HA 1 27 GLY HA2 . . 4.630 4.398 4.377 4.419 . 0 0 "[ . 1 . 2]" 1
324 1 26 ALA HA 1 27 GLY QA . . 4.030 3.924 3.903 3.941 . 0 0 "[ . 1 . 2]" 1
325 1 26 ALA HA 1 27 GLY HA3 . . 4.630 4.411 4.384 4.450 . 0 0 "[ . 1 . 2]" 1
326 1 26 ALA HA 1 28 VAL H . . 3.820 3.500 3.329 3.702 . 0 0 "[ . 1 . 2]" 1
327 1 26 ALA HA 1 72 ALA H . . 4.690 3.686 3.118 4.186 . 0 0 "[ . 1 . 2]" 1
328 1 26 ALA HA 1 72 ALA MB . . 4.040 2.774 2.392 3.263 . 0 0 "[ . 1 . 2]" 1
329 1 26 ALA HA 1 73 GLN HA . . 4.870 4.809 4.692 4.872 0.002 18 0 "[ . 1 . 2]" 1
330 1 26 ALA HA 1 75 PRO HA . . 4.440 3.853 3.592 4.036 . 0 0 "[ . 1 . 2]" 1
331 1 26 ALA HA 1 98 VAL MG1 . . 3.380 2.521 2.310 2.685 . 0 0 "[ . 1 . 2]" 1
332 1 26 ALA MB 1 27 GLY H . . 3.520 3.154 3.012 3.311 . 0 0 "[ . 1 . 2]" 1
333 1 26 ALA MB 1 73 GLN HA . . 4.400 4.237 4.061 4.405 0.005 6 0 "[ . 1 . 2]" 1
334 1 26 ALA MB 1 74 GLU H . . 4.500 4.086 3.632 4.433 . 0 0 "[ . 1 . 2]" 1
335 1 26 ALA MB 1 74 GLU HA . . 3.810 2.903 2.623 3.085 . 0 0 "[ . 1 . 2]" 1
336 1 26 ALA MB 1 75 PRO HA . . 4.000 2.400 2.011 2.742 . 0 0 "[ . 1 . 2]" 1
337 1 26 ALA MB 1 75 PRO HB2 . . 3.870 3.671 3.518 3.773 . 0 0 "[ . 1 . 2]" 1
338 1 26 ALA MB 1 75 PRO HB3 . . 3.780 2.220 2.075 2.437 . 0 0 "[ . 1 . 2]" 1
339 1 26 ALA MB 1 75 PRO HD2 . . 3.980 3.602 3.357 3.720 . 0 0 "[ . 1 . 2]" 1
340 1 26 ALA MB 1 75 PRO HD3 . . 3.290 2.331 2.043 2.564 . 0 0 "[ . 1 . 2]" 1
341 1 26 ALA MB 1 75 PRO HG2 . . 4.330 4.150 3.972 4.280 . 0 0 "[ . 1 . 2]" 1
342 1 26 ALA MB 1 75 PRO HG3 . . 3.790 3.387 3.134 3.673 . 0 0 "[ . 1 . 2]" 1
343 1 26 ALA MB 1 98 VAL HB . . 5.220 4.456 4.119 4.781 . 0 0 "[ . 1 . 2]" 1
344 1 26 ALA MB 1 98 VAL MG1 . . 3.240 2.584 2.188 2.952 . 0 0 "[ . 1 . 2]" 1
345 1 26 ALA MB 1 100 ALA HA . . 3.470 2.293 2.047 2.655 . 0 0 "[ . 1 . 2]" 1
346 1 26 ALA MB 1 100 ALA MB . . 3.650 2.736 2.374 2.900 . 0 0 "[ . 1 . 2]" 1
347 1 26 ALA MB 1 101 PRO HD3 . . 4.200 3.317 3.072 3.742 . 0 0 "[ . 1 . 2]" 1
348 1 27 GLY H 1 28 VAL H . . 3.350 2.596 2.291 2.847 . 0 0 "[ . 1 . 2]" 1
349 1 27 GLY H 1 71 ILE MG . . 3.650 2.793 2.439 3.129 . 0 0 "[ . 1 . 2]" 1
350 1 27 GLY H 1 72 ALA H . . 4.320 2.993 2.516 3.311 . 0 0 "[ . 1 . 2]" 1
351 1 27 GLY H 1 72 ALA MB . . 4.240 3.487 3.353 3.715 . 0 0 "[ . 1 . 2]" 1
352 1 27 GLY H 1 73 GLN HA . . 3.690 3.468 2.989 3.676 . 0 0 "[ . 1 . 2]" 1
353 1 27 GLY QA 1 71 ILE MG . . 3.240 2.505 2.059 2.842 . 0 0 "[ . 1 . 2]" 1
354 1 27 GLY QA 1 73 GLN HA . . 4.170 3.206 2.807 3.586 . 0 0 "[ . 1 . 2]" 1
355 1 27 GLY HA2 1 71 ILE MG . . 4.110 2.538 2.076 2.897 . 0 0 "[ . 1 . 2]" 1
356 1 27 GLY HA3 1 71 ILE MG . . 4.110 3.870 3.425 4.111 0.001 18 0 "[ . 1 . 2]" 1
357 1 28 VAL H 1 28 VAL HB . . 3.000 2.590 2.446 2.742 . 0 0 "[ . 1 . 2]" 1
358 1 28 VAL H 1 28 VAL MG1 . . 3.970 3.822 3.724 3.890 . 0 0 "[ . 1 . 2]" 1
359 1 28 VAL H 1 28 VAL MG2 . . 3.090 2.768 2.539 3.003 . 0 0 "[ . 1 . 2]" 1
360 1 28 VAL H 1 29 PRO QD . . 4.780 4.236 4.126 4.334 . 0 0 "[ . 1 . 2]" 1
361 1 28 VAL H 1 71 ILE MG . . 3.770 3.326 2.562 3.772 0.002 18 0 "[ . 1 . 2]" 1
362 1 28 VAL H 1 72 ALA H . . 4.450 3.810 3.219 4.380 . 0 0 "[ . 1 . 2]" 1
363 1 28 VAL HA 1 28 VAL MG1 . . 3.300 2.418 2.320 2.476 . 0 0 "[ . 1 . 2]" 1
364 1 28 VAL HA 1 28 VAL MG2 . . 3.250 2.322 2.205 2.389 . 0 0 "[ . 1 . 2]" 1
365 1 28 VAL HA 1 29 PRO HD2 . . 3.400 2.076 2.009 2.173 . 0 0 "[ . 1 . 2]" 1
366 1 28 VAL HA 1 29 PRO QD . . 2.870 1.922 1.889 1.969 . 0 0 "[ . 1 . 2]" 1
367 1 28 VAL HA 1 29 PRO HD3 . . 3.400 2.272 2.253 2.298 . 0 0 "[ . 1 . 2]" 1
368 1 28 VAL HA 1 29 PRO HG2 . . 4.340 4.254 4.200 4.330 . 0 0 "[ . 1 . 2]" 1
369 1 28 VAL HA 1 29 PRO HG3 . . 4.380 4.329 4.315 4.357 . 0 0 "[ . 1 . 2]" 1
370 1 28 VAL HA 1 71 ILE MD . . 4.400 4.106 3.613 4.375 . 0 0 "[ . 1 . 2]" 1
371 1 28 VAL HB 1 29 PRO HD2 . . 5.280 4.134 3.917 4.325 . 0 0 "[ . 1 . 2]" 1
372 1 28 VAL HB 1 29 PRO QD . . 4.490 3.942 3.763 4.097 . 0 0 "[ . 1 . 2]" 1
373 1 28 VAL HB 1 29 PRO HD3 . . 5.280 4.976 4.863 5.071 . 0 0 "[ . 1 . 2]" 1
374 1 28 VAL MG1 1 29 PRO HD2 . . 3.620 1.964 1.814 2.159 . 0 0 "[ . 1 . 2]" 1
375 1 28 VAL MG1 1 29 PRO HD3 . . 3.620 3.327 3.153 3.481 . 0 0 "[ . 1 . 2]" 1
376 1 28 VAL MG1 1 29 PRO HG2 . . 4.710 3.147 2.949 3.327 . 0 0 "[ . 1 . 2]" 1
377 1 28 VAL MG1 1 29 PRO HG3 . . 5.040 4.127 3.897 4.318 . 0 0 "[ . 1 . 2]" 1
378 1 28 VAL MG2 1 29 PRO HD2 . . 4.270 3.448 3.246 3.598 . 0 0 "[ . 1 . 2]" 1
379 1 28 VAL MG2 1 29 PRO QD . . 3.720 3.291 3.117 3.413 . 0 0 "[ . 1 . 2]" 1
380 1 28 VAL MG2 1 29 PRO HD3 . . 4.270 4.167 4.021 4.241 . 0 0 "[ . 1 . 2]" 1
381 1 28 VAL MG2 1 101 PRO QB . . 4.600 3.560 3.123 3.915 . 0 0 "[ . 1 . 2]" 1
382 1 28 VAL MG2 1 101 PRO HD2 . . 4.450 4.169 3.613 4.453 0.003 18 0 "[ . 1 . 2]" 1
383 1 28 VAL MG2 1 101 PRO QG . . 4.420 2.345 1.978 2.653 . 0 0 "[ . 1 . 2]" 1
384 1 29 PRO HA 1 30 ALA H . . 3.260 2.182 2.151 2.234 . 0 0 "[ . 1 . 2]" 1
385 1 29 PRO HA 1 70 TYR H . . 4.330 3.779 3.525 4.101 . 0 0 "[ . 1 . 2]" 1
386 1 29 PRO HA 1 71 ILE MD . . 4.010 3.149 2.947 3.422 . 0 0 "[ . 1 . 2]" 1
387 1 29 PRO HA 1 71 ILE HG12 . . 3.940 2.042 1.998 2.213 . 0 0 "[ . 1 . 2]" 1
388 1 29 PRO HA 1 71 ILE HG13 . . 4.100 2.099 2.002 2.301 . 0 0 "[ . 1 . 2]" 1
389 1 29 PRO QB 1 30 ALA H . . 3.800 3.536 3.072 3.724 . 0 0 "[ . 1 . 2]" 1
390 1 29 PRO QB 1 69 SER QB . . 3.870 3.286 2.808 3.866 . 0 0 "[ . 1 . 2]" 1
391 1 29 PRO QB 1 70 TYR H . . 5.340 4.186 3.747 4.742 . 0 0 "[ . 1 . 2]" 1
392 1 29 PRO QB 1 71 ILE MD . . 4.110 2.212 2.007 2.357 . 0 0 "[ . 1 . 2]" 1
393 1 29 PRO QB 1 71 ILE HG12 . . 4.310 2.784 2.370 2.964 . 0 0 "[ . 1 . 2]" 1
394 1 29 PRO HB2 1 30 ALA H . . 4.520 3.808 3.241 4.038 . 0 0 "[ . 1 . 2]" 1
395 1 29 PRO HB2 1 71 ILE MD . . 4.940 3.737 3.623 3.890 . 0 0 "[ . 1 . 2]" 1
396 1 29 PRO HB2 1 71 ILE HG13 . . 4.440 3.852 3.568 4.215 . 0 0 "[ . 1 . 2]" 1
397 1 29 PRO HB3 1 30 ALA H . . 4.520 4.198 3.810 4.367 . 0 0 "[ . 1 . 2]" 1
398 1 29 PRO HB3 1 71 ILE MD . . 4.940 2.229 2.017 2.377 . 0 0 "[ . 1 . 2]" 1
399 1 29 PRO HB3 1 71 ILE HG13 . . 4.440 2.612 2.227 3.001 . 0 0 "[ . 1 . 2]" 1
400 1 29 PRO QD 1 71 ILE MD . . 3.810 2.572 2.327 2.812 . 0 0 "[ . 1 . 2]" 1
401 1 29 PRO QD 1 71 ILE HG12 . . 4.870 2.956 2.772 3.082 . 0 0 "[ . 1 . 2]" 1
402 1 29 PRO HD2 1 71 ILE MD . . 4.360 4.125 3.906 4.271 . 0 0 "[ . 1 . 2]" 1
403 1 29 PRO HD3 1 71 ILE MD . . 4.360 2.599 2.345 2.852 . 0 0 "[ . 1 . 2]" 1
404 1 29 PRO HG2 1 71 ILE MD . . 4.360 4.344 4.270 4.365 0.005 11 0 "[ . 1 . 2]" 1
405 1 29 PRO HG3 1 71 ILE MD . . 3.460 3.269 3.115 3.351 . 0 0 "[ . 1 . 2]" 1
406 1 29 PRO HG3 1 71 ILE HG12 . . 4.430 4.288 3.903 4.435 0.005 6 0 "[ . 1 . 2]" 1
407 1 30 ALA H 1 30 ALA MB . . 3.590 2.347 2.098 2.533 . 0 0 "[ . 1 . 2]" 1
408 1 30 ALA H 1 70 TYR H . . 3.540 2.897 2.398 3.190 . 0 0 "[ . 1 . 2]" 1
409 1 30 ALA H 1 71 ILE HA . . 4.840 3.495 3.166 3.886 . 0 0 "[ . 1 . 2]" 1
410 1 30 ALA H 1 71 ILE HG12 . . 4.570 3.915 3.725 4.132 . 0 0 "[ . 1 . 2]" 1
411 1 30 ALA H 1 71 ILE HG13 . . 4.980 3.730 3.598 3.914 . 0 0 "[ . 1 . 2]" 1
412 1 30 ALA HA 1 31 GLU H . . 3.170 2.170 2.143 2.187 . 0 0 "[ . 1 . 2]" 1
413 1 30 ALA MB 1 31 GLU H . . 4.000 3.402 3.137 3.485 . 0 0 "[ . 1 . 2]" 1
414 1 30 ALA MB 1 70 TYR H . . 4.070 3.833 3.400 4.030 . 0 0 "[ . 1 . 2]" 1
415 1 30 ALA MB 1 70 TYR QD . . 4.050 3.413 3.183 3.849 . 0 0 "[ . 1 . 2]" 1
416 1 30 ALA MB 1 70 TYR QE . . 3.220 2.537 2.120 2.913 . 0 0 "[ . 1 . 2]" 1
417 1 31 GLU H 1 31 GLU QB . . 3.900 2.736 2.288 3.037 . 0 0 "[ . 1 . 2]" 1
418 1 31 GLU H 1 31 GLU QG . . 3.850 2.349 1.907 3.350 . 0 0 "[ . 1 . 2]" 1
419 1 31 GLU HA 1 32 PHE H . . 3.510 2.246 2.151 2.437 . 0 0 "[ . 1 . 2]" 1
420 1 31 GLU HA 1 69 SER HA . . 3.780 2.337 2.101 2.623 . 0 0 "[ . 1 . 2]" 1
421 1 31 GLU HA 1 69 SER HB2 . . 4.690 4.179 3.300 4.648 . 0 0 "[ . 1 . 2]" 1
422 1 31 GLU HA 1 69 SER QB . . 4.070 3.625 3.217 3.989 . 0 0 "[ . 1 . 2]" 1
423 1 31 GLU HA 1 69 SER HB3 . . 4.690 4.095 3.287 4.605 . 0 0 "[ . 1 . 2]" 1
424 1 31 GLU HA 1 70 TYR H . . 4.310 3.786 3.425 4.075 . 0 0 "[ . 1 . 2]" 1
425 1 31 GLU QB 1 32 PHE H . . 4.300 2.830 2.375 3.159 . 0 0 "[ . 1 . 2]" 1
426 1 31 GLU QB 1 69 SER HA . . 4.510 3.014 1.965 4.081 . 0 0 "[ . 1 . 2]" 1
427 1 31 GLU QB 1 69 SER QB . . 3.910 2.885 1.942 3.850 . 0 0 "[ . 1 . 2]" 1
428 1 31 GLU QB 1 70 TYR H . . 5.500 4.589 3.546 5.448 . 0 0 "[ . 1 . 2]" 1
429 1 31 GLU QG 1 69 SER HA . . 4.370 3.309 2.045 4.255 . 0 0 "[ . 1 . 2]" 1
430 1 31 GLU QG 1 69 SER HB2 . . 4.090 3.206 2.152 4.092 0.002 9 0 "[ . 1 . 2]" 1
431 1 31 GLU QG 1 69 SER QB . . 3.550 2.657 1.828 3.532 . 0 0 "[ . 1 . 2]" 1
432 1 31 GLU QG 1 69 SER HB3 . . 4.090 3.001 1.885 3.954 . 0 0 "[ . 1 . 2]" 1
433 1 32 PHE H 1 32 PHE QD . . 4.970 2.755 2.202 3.357 . 0 0 "[ . 1 . 2]" 1
434 1 32 PHE H 1 68 VAL H . . 4.450 3.439 2.900 4.053 . 0 0 "[ . 1 . 2]" 1
435 1 32 PHE H 1 68 VAL HB . . 5.010 3.783 3.165 4.256 . 0 0 "[ . 1 . 2]" 1
436 1 32 PHE H 1 69 SER HA . . 4.320 4.021 3.525 4.301 . 0 0 "[ . 1 . 2]" 1
437 1 32 PHE QD 1 34 ILE MD . . 4.700 3.535 2.758 4.217 . 0 0 "[ . 1 . 2]" 1
438 1 32 PHE QD 1 34 ILE HG12 . . 4.940 3.046 2.393 3.377 . 0 0 "[ . 1 . 2]" 1
439 1 32 PHE QD 1 34 ILE HG13 . . 4.960 3.031 2.494 4.658 . 0 0 "[ . 1 . 2]" 1
440 1 32 PHE QD 1 68 VAL MG1 . . 4.840 4.503 3.524 4.841 0.001 18 0 "[ . 1 . 2]" 1
441 1 32 PHE QD 1 70 TYR QE . . 3.860 3.017 2.250 3.555 . 0 0 "[ . 1 . 2]" 1
442 1 32 PHE QE 1 34 ILE MD . . 3.520 2.349 1.912 3.235 . 0 0 "[ . 1 . 2]" 1
443 1 32 PHE QE 1 34 ILE HG12 . . 4.640 2.995 2.166 3.806 . 0 0 "[ . 1 . 2]" 1
444 1 32 PHE QE 1 34 ILE HG13 . . 4.320 3.397 2.738 4.313 . 0 0 "[ . 1 . 2]" 1
445 1 32 PHE QE 1 46 ILE MG . . 4.030 3.742 3.479 4.017 . 0 0 "[ . 1 . 2]" 1
446 1 32 PHE QE 1 48 VAL MG2 . . 5.230 4.451 4.098 4.740 . 0 0 "[ . 1 . 2]" 1
447 1 32 PHE QE 1 68 VAL MG1 . . 3.850 3.275 2.410 3.768 . 0 0 "[ . 1 . 2]" 1
448 1 32 PHE QE 1 70 TYR QD . . 3.520 2.525 2.011 3.281 . 0 0 "[ . 1 . 2]" 1
449 1 32 PHE QE 1 70 TYR QE . . 3.510 2.997 1.998 3.471 . 0 0 "[ . 1 . 2]" 1
450 1 32 PHE QE 1 80 VAL MG1 . . 3.940 3.727 3.472 3.916 . 0 0 "[ . 1 . 2]" 1
451 1 32 PHE QE 1 80 VAL MG2 . . 4.480 4.054 3.672 4.435 . 0 0 "[ . 1 . 2]" 1
452 1 32 PHE QE 1 82 ILE MD . . 3.580 2.919 2.338 3.435 . 0 0 "[ . 1 . 2]" 1
453 1 32 PHE HZ 1 46 ILE MD . . 4.210 2.866 2.126 3.736 . 0 0 "[ . 1 . 2]" 1
454 1 32 PHE HZ 1 46 ILE MG . . 3.640 2.797 2.386 3.121 . 0 0 "[ . 1 . 2]" 1
455 1 32 PHE HZ 1 68 VAL MG1 . . 3.730 3.119 2.112 3.700 . 0 0 "[ . 1 . 2]" 1
456 1 32 PHE HZ 1 80 VAL MG1 . . 3.770 3.162 2.710 3.568 . 0 0 "[ . 1 . 2]" 1
457 1 32 PHE HZ 1 82 ILE MD . . 4.370 3.453 3.061 3.903 . 0 0 "[ . 1 . 2]" 1
458 1 33 SER HA 1 34 ILE HA . . 5.030 4.401 4.373 4.436 . 0 0 "[ . 1 . 2]" 1
459 1 33 SER HA 1 67 GLY QA . . 5.290 3.502 2.677 4.423 . 0 0 "[ . 1 . 2]" 1
460 1 33 SER HA 1 68 VAL H . . 4.640 4.142 3.287 4.591 . 0 0 "[ . 1 . 2]" 1
461 1 34 ILE H 1 34 ILE MG . . 3.940 3.790 3.386 3.916 . 0 0 "[ . 1 . 2]" 1
462 1 34 ILE HA 1 34 ILE MG . . 3.420 2.328 2.082 2.442 . 0 0 "[ . 1 . 2]" 1
463 1 34 ILE HB 1 34 ILE MD . . 3.550 2.295 2.141 2.413 . 0 0 "[ . 1 . 2]" 1
464 1 34 ILE HB 1 68 VAL MG2 . . 5.170 4.803 3.849 5.161 . 0 0 "[ . 1 . 2]" 1
465 1 34 ILE MD 1 46 ILE MD . . 2.870 2.401 1.930 2.832 . 0 0 "[ . 1 . 2]" 1
466 1 34 ILE MD 1 46 ILE QG . . 4.030 3.482 3.065 3.934 . 0 0 "[ . 1 . 2]" 1
467 1 34 ILE MD 1 68 VAL MG2 . . 3.340 2.563 1.930 3.211 . 0 0 "[ . 1 . 2]" 1
468 1 34 ILE HG12 1 34 ILE MG . . 2.640 2.207 2.071 2.337 . 0 0 "[ . 1 . 2]" 1
469 1 34 ILE HG13 1 34 ILE MG . . 3.400 3.169 3.134 3.198 . 0 0 "[ . 1 . 2]" 1
470 1 34 ILE HG13 1 68 VAL MG2 . . 4.390 3.963 3.389 4.344 . 0 0 "[ . 1 . 2]" 1
471 1 36 THR H 1 36 THR MG . . 4.410 2.769 1.974 3.854 . 0 0 "[ . 1 . 2]" 1
472 1 36 THR HA 1 36 THR MG . . 3.520 2.443 2.201 3.196 . 0 0 "[ . 1 . 2]" 1
473 1 36 THR HB 1 39 ALA MB . . 4.300 2.855 2.038 4.289 . 0 0 "[ . 1 . 2]" 1
474 1 36 THR MG 1 44 LEU HG . . 4.290 3.992 3.033 4.268 . 0 0 "[ . 1 . 2]" 1
475 1 36 THR MG 1 84 PHE QD . . 4.510 3.625 2.693 4.431 . 0 0 "[ . 1 . 2]" 1
476 1 36 THR MG 1 84 PHE QE . . 4.380 3.048 2.052 3.658 . 0 0 "[ . 1 . 2]" 1
477 1 38 GLU H 1 38 GLU QG . . 4.630 3.409 2.288 4.378 . 0 0 "[ . 1 . 2]" 1
478 1 38 GLU HA 1 38 GLU QG . . 3.450 2.519 2.186 2.966 . 0 0 "[ . 1 . 2]" 1
479 1 39 ALA MB 1 40 GLY H . . 4.020 2.628 2.024 3.724 . 0 0 "[ . 1 . 2]" 1
480 1 39 ALA MB 1 84 PHE QE . . 4.420 2.847 2.155 3.487 . 0 0 "[ . 1 . 2]" 1
481 1 40 GLY H 1 41 ALA H . . 4.360 3.914 2.442 4.359 . 0 0 "[ . 1 . 2]" 1
482 1 40 GLY QA 1 41 ALA H . . 2.890 2.255 2.113 2.772 . 0 0 "[ . 1 . 2]" 1
483 1 40 GLY HA2 1 41 ALA MB . . 4.680 4.072 3.817 4.325 . 0 0 "[ . 1 . 2]" 1
484 1 40 GLY HA3 1 41 ALA MB . . 4.680 4.099 3.694 4.668 . 0 0 "[ . 1 . 2]" 1
485 1 41 ALA H 1 41 ALA MB . . 2.880 2.532 2.027 2.857 . 0 0 "[ . 1 . 2]" 1
486 1 41 ALA H 1 42 GLY H . . 4.330 4.041 2.832 4.334 0.004 12 0 "[ . 1 . 2]" 1
487 1 41 ALA HA 1 42 GLY H . . 2.880 2.306 2.145 2.899 0.019 9 0 "[ . 1 . 2]" 1
488 1 41 ALA MB 1 42 GLY H . . 3.620 3.198 2.545 3.701 0.081 7 0 "[ . 1 . 2]" 1
489 1 41 ALA MB 1 42 GLY QA . . 4.730 3.735 3.548 4.008 . 0 0 "[ . 1 . 2]" 1
490 1 42 GLY H 1 43 GLY H . . 4.560 4.273 2.546 4.508 . 0 0 "[ . 1 . 2]" 1
491 1 42 GLY QA 1 43 GLY H . . 3.070 2.279 2.117 2.832 . 0 0 "[ . 1 . 2]" 1
492 1 42 GLY QA 1 84 PHE QE . . 4.490 3.483 2.878 4.364 . 0 0 "[ . 1 . 2]" 1
493 1 42 GLY QA 1 85 ASN QD . . 3.200 2.513 1.974 3.200 0.000 9 0 "[ . 1 . 2]" 1
494 1 42 GLY HA2 1 43 GLY H . . 3.500 2.612 2.143 2.999 . 0 0 "[ . 1 . 2]" 1
495 1 42 GLY HA2 1 84 PHE QE . . 5.220 4.796 3.507 5.204 . 0 0 "[ . 1 . 2]" 1
496 1 42 GLY HA3 1 43 GLY H . . 3.500 2.618 2.237 3.479 . 0 0 "[ . 1 . 2]" 1
497 1 42 GLY HA3 1 84 PHE QE . . 5.220 3.662 2.931 5.142 . 0 0 "[ . 1 . 2]" 1
498 1 43 GLY H 1 44 LEU H . . 4.810 4.470 3.926 4.633 . 0 0 "[ . 1 . 2]" 1
499 1 43 GLY H 1 85 ASN H . . 4.260 3.739 2.138 4.265 0.005 16 0 "[ . 1 . 2]" 1
500 1 43 GLY H 1 85 ASN QD . . 4.640 4.043 3.302 4.640 . 0 0 "[ . 1 . 2]" 1
501 1 43 GLY QA 1 44 LEU H . . 2.950 2.230 2.112 2.283 . 0 0 "[ . 1 . 2]" 1
502 1 43 GLY QA 1 44 LEU HB2 . . 4.630 3.988 3.862 4.220 . 0 0 "[ . 1 . 2]" 1
503 1 43 GLY QA 1 44 LEU HG . . 4.440 4.017 3.805 4.221 . 0 0 "[ . 1 . 2]" 1
504 1 43 GLY HA2 1 44 LEU H . . 3.470 2.433 2.142 2.798 . 0 0 "[ . 1 . 2]" 1
505 1 43 GLY HA2 1 44 LEU HB2 . . 5.500 4.180 4.067 4.395 . 0 0 "[ . 1 . 2]" 1
506 1 43 GLY HA3 1 44 LEU H . . 3.470 2.736 2.353 3.210 . 0 0 "[ . 1 . 2]" 1
507 1 43 GLY HA3 1 44 LEU HB2 . . 5.500 5.049 4.728 5.443 . 0 0 "[ . 1 . 2]" 1
508 1 44 LEU H 1 44 LEU HB2 . . 3.320 2.641 2.339 2.809 . 0 0 "[ . 1 . 2]" 1
509 1 44 LEU H 1 44 LEU HB3 . . 3.920 3.707 3.548 3.803 . 0 0 "[ . 1 . 2]" 1
510 1 44 LEU H 1 44 LEU MD1 . . 4.650 4.213 3.928 4.500 . 0 0 "[ . 1 . 2]" 1
511 1 44 LEU H 1 44 LEU MD2 . . 5.320 4.371 4.147 4.539 . 0 0 "[ . 1 . 2]" 1
512 1 44 LEU H 1 44 LEU HG . . 4.320 3.705 3.294 3.904 . 0 0 "[ . 1 . 2]" 1
513 1 44 LEU H 1 45 SER H . . 4.750 4.196 3.890 4.490 . 0 0 "[ . 1 . 2]" 1
514 1 44 LEU HA 1 44 LEU MD1 . . 3.870 3.827 3.798 3.858 . 0 0 "[ . 1 . 2]" 1
515 1 44 LEU HA 1 44 LEU MD2 . . 3.450 2.219 2.015 2.511 . 0 0 "[ . 1 . 2]" 1
516 1 44 LEU HA 1 45 SER H . . 2.990 2.177 2.139 2.323 . 0 0 "[ . 1 . 2]" 1
517 1 44 LEU HA 1 84 PHE HA . . 3.750 2.902 2.237 3.327 . 0 0 "[ . 1 . 2]" 1
518 1 44 LEU HA 1 84 PHE QD . . 4.570 3.796 3.038 4.376 . 0 0 "[ . 1 . 2]" 1
519 1 44 LEU HB2 1 44 LEU MD1 . . 3.290 2.134 1.982 2.316 . 0 0 "[ . 1 . 2]" 1
520 1 44 LEU HB2 1 45 SER H . . 4.780 4.335 3.890 4.501 . 0 0 "[ . 1 . 2]" 1
521 1 44 LEU HB2 1 46 ILE MD . . 4.960 4.635 4.239 4.953 . 0 0 "[ . 1 . 2]" 1
522 1 44 LEU HB2 1 58 PHE HZ . . 4.980 3.861 2.994 4.949 . 0 0 "[ . 1 . 2]" 1
523 1 44 LEU HB3 1 44 LEU MD1 . . 3.530 2.523 2.310 2.671 . 0 0 "[ . 1 . 2]" 1
524 1 44 LEU HB3 1 44 LEU MD2 . . 3.510 2.232 2.055 2.344 . 0 0 "[ . 1 . 2]" 1
525 1 44 LEU HB3 1 45 SER H . . 4.040 3.324 2.620 3.670 . 0 0 "[ . 1 . 2]" 1
526 1 44 LEU HB3 1 46 ILE MD . . 4.300 3.590 3.060 3.957 . 0 0 "[ . 1 . 2]" 1
527 1 44 LEU MD1 1 58 PHE QE . . 4.290 4.120 3.840 4.284 . 0 0 "[ . 1 . 2]" 1
528 1 44 LEU MD1 1 58 PHE HZ . . 4.330 3.910 3.410 4.331 0.001 13 0 "[ . 1 . 2]" 1
529 1 44 LEU MD1 1 84 PHE QD . . 3.900 3.708 3.420 3.901 0.001 16 0 "[ . 1 . 2]" 1
530 1 44 LEU MD2 1 45 SER H . . 3.700 3.154 2.740 3.526 . 0 0 "[ . 1 . 2]" 1
531 1 44 LEU MD2 1 84 PHE HA . . 3.950 2.754 2.187 3.323 . 0 0 "[ . 1 . 2]" 1
532 1 44 LEU MD2 1 84 PHE HB2 . . 4.470 2.757 2.245 3.003 . 0 0 "[ . 1 . 2]" 1
533 1 44 LEU MD2 1 84 PHE QB . . 3.660 2.721 2.228 2.954 . 0 0 "[ . 1 . 2]" 1
534 1 44 LEU MD2 1 84 PHE HB3 . . 4.470 4.203 3.767 4.453 . 0 0 "[ . 1 . 2]" 1
535 1 44 LEU MD2 1 84 PHE QD . . 3.630 2.276 1.964 2.736 . 0 0 "[ . 1 . 2]" 1
536 1 44 LEU MD2 1 85 ASN H . . 4.890 4.280 3.547 4.855 . 0 0 "[ . 1 . 2]" 1
537 1 44 LEU HG 1 45 SER H . . 5.310 4.685 4.486 4.963 . 0 0 "[ . 1 . 2]" 1
538 1 44 LEU HG 1 84 PHE QD . . 4.160 2.714 2.178 3.335 . 0 0 "[ . 1 . 2]" 1
539 1 45 SER H 1 45 SER QB . . 3.620 2.502 2.277 2.777 . 0 0 "[ . 1 . 2]" 1
540 1 45 SER H 1 83 LYS H . . 3.860 2.936 2.694 3.169 . 0 0 "[ . 1 . 2]" 1
541 1 45 SER H 1 84 PHE HA . . 4.110 3.841 3.607 4.080 . 0 0 "[ . 1 . 2]" 1
542 1 45 SER HA 1 46 ILE H . . 3.090 2.177 2.139 2.265 . 0 0 "[ . 1 . 2]" 1
543 1 45 SER HA 1 46 ILE HB . . 4.790 4.580 4.440 4.696 . 0 0 "[ . 1 . 2]" 1
544 1 45 SER HA 1 46 ILE QG . . 4.680 3.637 3.366 3.895 . 0 0 "[ . 1 . 2]" 1
545 1 45 SER QB 1 46 ILE H . . 3.680 3.429 2.927 3.678 . 0 0 "[ . 1 . 2]" 1
546 1 45 SER QB 1 83 LYS H . . 4.200 3.001 2.618 3.529 . 0 0 "[ . 1 . 2]" 1
547 1 45 SER QB 1 83 LYS HB2 . . 3.680 2.360 2.011 3.032 . 0 0 "[ . 1 . 2]" 1
548 1 45 SER QB 1 83 LYS HB3 . . 3.890 3.447 3.052 3.885 . 0 0 "[ . 1 . 2]" 1
549 1 46 ILE H 1 46 ILE HB . . 3.510 2.721 2.519 2.838 . 0 0 "[ . 1 . 2]" 1
550 1 46 ILE H 1 46 ILE MD . . 4.210 3.867 3.546 4.173 . 0 0 "[ . 1 . 2]" 1
551 1 46 ILE H 1 46 ILE HG12 . . 4.530 4.195 3.883 4.401 . 0 0 "[ . 1 . 2]" 1
552 1 46 ILE H 1 46 ILE QG . . 3.970 2.865 2.476 3.146 . 0 0 "[ . 1 . 2]" 1
553 1 46 ILE H 1 46 ILE HG13 . . 4.530 2.918 2.505 3.222 . 0 0 "[ . 1 . 2]" 1
554 1 46 ILE H 1 46 ILE MG . . 4.160 3.873 3.795 3.935 . 0 0 "[ . 1 . 2]" 1
555 1 46 ILE HA 1 46 ILE MD . . 3.960 3.881 3.849 3.932 . 0 0 "[ . 1 . 2]" 1
556 1 46 ILE HA 1 46 ILE MG . . 3.350 2.359 2.207 2.467 . 0 0 "[ . 1 . 2]" 1
557 1 46 ILE HA 1 47 ALA H . . 2.940 2.171 2.143 2.233 . 0 0 "[ . 1 . 2]" 1
558 1 46 ILE HA 1 47 ALA MB . . 4.140 3.905 3.827 3.980 . 0 0 "[ . 1 . 2]" 1
559 1 46 ILE HA 1 82 ILE HA . . 3.960 2.744 2.517 3.041 . 0 0 "[ . 1 . 2]" 1
560 1 46 ILE HB 1 46 ILE MD . . 3.320 2.273 2.106 2.408 . 0 0 "[ . 1 . 2]" 1
561 1 46 ILE HB 1 47 ALA H . . 4.510 4.108 3.972 4.281 . 0 0 "[ . 1 . 2]" 1
562 1 46 ILE HB 1 56 ILE MG . . 4.070 3.744 3.222 4.043 . 0 0 "[ . 1 . 2]" 1
563 1 46 ILE HB 1 68 VAL MG1 . . 4.820 3.415 2.776 3.725 . 0 0 "[ . 1 . 2]" 1
564 1 46 ILE MD 1 47 ALA H . . 5.230 5.134 4.949 5.217 . 0 0 "[ . 1 . 2]" 1
565 1 46 ILE MD 1 58 PHE QD . . 4.060 3.034 2.391 3.784 . 0 0 "[ . 1 . 2]" 1
566 1 46 ILE MD 1 58 PHE QE . . 4.180 2.659 2.048 3.388 . 0 0 "[ . 1 . 2]" 1
567 1 46 ILE MD 1 68 VAL MG1 . . 3.650 2.071 1.661 2.431 . 0 0 "[ . 1 . 2]" 1
568 1 46 ILE MD 1 68 VAL MG2 . . 3.410 1.945 1.810 2.176 . 0 0 "[ . 1 . 2]" 1
569 1 46 ILE QG 1 46 ILE MG . . 3.070 2.187 2.086 2.249 . 0 0 "[ . 1 . 2]" 1
570 1 46 ILE QG 1 68 VAL MG2 . . 5.220 3.761 3.537 4.043 . 0 0 "[ . 1 . 2]" 1
571 1 46 ILE QG 1 80 VAL MG1 . . 4.270 3.528 3.272 3.811 . 0 0 "[ . 1 . 2]" 1
572 1 46 ILE QG 1 82 ILE HA . . 4.400 3.404 3.045 4.026 . 0 0 "[ . 1 . 2]" 1
573 1 46 ILE QG 1 82 ILE MG . . 3.820 2.913 2.556 3.409 . 0 0 "[ . 1 . 2]" 1
574 1 46 ILE QG 1 83 LYS H . . 4.920 4.218 3.898 4.915 . 0 0 "[ . 1 . 2]" 1
575 1 46 ILE HG12 1 46 ILE MG . . 3.540 2.229 2.118 2.300 . 0 0 "[ . 1 . 2]" 1
576 1 46 ILE HG12 1 82 ILE HG12 . . 3.920 2.228 2.002 2.557 . 0 0 "[ . 1 . 2]" 1
577 1 46 ILE HG13 1 46 ILE MG . . 3.540 3.170 3.138 3.188 . 0 0 "[ . 1 . 2]" 1
578 1 46 ILE HG13 1 82 ILE HG12 . . 3.920 3.589 3.380 3.878 . 0 0 "[ . 1 . 2]" 1
579 1 46 ILE MG 1 47 ALA H . . 3.410 2.374 2.053 2.729 . 0 0 "[ . 1 . 2]" 1
580 1 46 ILE MG 1 47 ALA MB . . 4.550 4.037 3.858 4.150 . 0 0 "[ . 1 . 2]" 1
581 1 46 ILE MG 1 48 VAL MG2 . . 3.470 2.712 2.579 2.923 . 0 0 "[ . 1 . 2]" 1
582 1 46 ILE MG 1 68 VAL MG1 . . 3.460 2.779 2.566 3.253 . 0 0 "[ . 1 . 2]" 1
583 1 46 ILE MG 1 70 TYR QB . . 5.290 4.446 4.013 4.744 . 0 0 "[ . 1 . 2]" 1
584 1 46 ILE MG 1 80 VAL MG1 . . 3.260 1.958 1.780 2.203 . 0 0 "[ . 1 . 2]" 1
585 1 46 ILE MG 1 81 SER H . . 4.660 4.112 3.503 4.592 . 0 0 "[ . 1 . 2]" 1
586 1 47 ALA H 1 47 ALA MB . . 3.420 2.573 2.486 2.665 . 0 0 "[ . 1 . 2]" 1
587 1 47 ALA H 1 80 VAL MG1 . . 4.540 2.875 2.439 3.239 . 0 0 "[ . 1 . 2]" 1
588 1 47 ALA H 1 81 SER H . . 3.840 3.008 2.546 3.256 . 0 0 "[ . 1 . 2]" 1
589 1 47 ALA H 1 81 SER QB . . 4.020 3.574 2.922 3.962 . 0 0 "[ . 1 . 2]" 1
590 1 47 ALA HA 1 48 VAL H . . 3.020 2.149 2.141 2.155 . 0 0 "[ . 1 . 2]" 1
591 1 47 ALA HA 1 56 ILE MD . . 3.600 2.972 2.693 3.480 . 0 0 "[ . 1 . 2]" 1
592 1 47 ALA MB 1 48 VAL H . . 3.450 3.322 3.079 3.398 . 0 0 "[ . 1 . 2]" 1
593 1 47 ALA MB 1 49 GLU HG2 . . 4.330 4.072 3.323 4.303 . 0 0 "[ . 1 . 2]" 1
594 1 47 ALA MB 1 49 GLU QG . . 3.520 3.067 2.775 3.511 . 0 0 "[ . 1 . 2]" 1
595 1 47 ALA MB 1 49 GLU HG3 . . 4.330 3.259 2.823 4.098 . 0 0 "[ . 1 . 2]" 1
596 1 47 ALA MB 1 56 ILE MD . . 4.550 4.085 3.825 4.552 0.002 4 0 "[ . 1 . 2]" 1
597 1 47 ALA MB 1 81 SER H . . 4.180 3.324 3.022 3.650 . 0 0 "[ . 1 . 2]" 1
598 1 47 ALA MB 1 81 SER HB2 . . 3.990 3.301 2.266 3.968 . 0 0 "[ . 1 . 2]" 1
599 1 47 ALA MB 1 81 SER QB . . 3.360 2.650 2.231 3.328 . 0 0 "[ . 1 . 2]" 1
600 1 47 ALA MB 1 81 SER HB3 . . 3.990 3.250 2.252 3.998 0.008 18 0 "[ . 1 . 2]" 1
601 1 48 VAL H 1 48 VAL HB . . 3.370 2.517 2.412 2.616 . 0 0 "[ . 1 . 2]" 1
602 1 48 VAL H 1 48 VAL MG1 . . 4.400 3.789 3.748 3.820 . 0 0 "[ . 1 . 2]" 1
603 1 48 VAL H 1 48 VAL MG2 . . 3.400 2.504 2.274 2.750 . 0 0 "[ . 1 . 2]" 1
604 1 48 VAL H 1 49 GLU H . . 4.760 4.374 4.200 4.515 . 0 0 "[ . 1 . 2]" 1
605 1 48 VAL H 1 54 ALA MB . . 5.110 4.732 4.353 5.053 . 0 0 "[ . 1 . 2]" 1
606 1 48 VAL H 1 56 ILE MD . . 3.460 2.153 1.901 2.702 . 0 0 "[ . 1 . 2]" 1
607 1 48 VAL H 1 56 ILE HG12 . . 5.500 4.122 3.653 4.717 . 0 0 "[ . 1 . 2]" 1
608 1 48 VAL H 1 56 ILE MG . . 5.390 4.610 4.185 5.245 . 0 0 "[ . 1 . 2]" 1
609 1 48 VAL HA 1 49 GLU QG . . 5.230 4.012 3.694 4.932 . 0 0 "[ . 1 . 2]" 1
610 1 48 VAL HA 1 80 VAL MG2 . . 4.200 2.838 2.502 3.188 . 0 0 "[ . 1 . 2]" 1
611 1 48 VAL HB 1 49 GLU H . . 4.900 4.303 4.111 4.432 . 0 0 "[ . 1 . 2]" 1
612 1 48 VAL HB 1 54 ALA MB . . 3.310 2.626 2.105 3.078 . 0 0 "[ . 1 . 2]" 1
613 1 48 VAL HB 1 56 ILE MD . . 3.210 2.377 1.980 2.906 . 0 0 "[ . 1 . 2]" 1
614 1 48 VAL HB 1 56 ILE HG12 . . 4.430 3.594 3.230 4.068 . 0 0 "[ . 1 . 2]" 1
615 1 48 VAL HB 1 80 VAL MG2 . . 4.560 4.294 3.907 4.536 . 0 0 "[ . 1 . 2]" 1
616 1 48 VAL MG1 1 49 GLU H . . 3.540 2.795 2.239 3.184 . 0 0 "[ . 1 . 2]" 1
617 1 48 VAL MG1 1 50 GLY H . . 4.730 4.247 3.939 4.684 . 0 0 "[ . 1 . 2]" 1
618 1 48 VAL MG1 1 54 ALA H . . 4.460 4.245 3.803 4.431 . 0 0 "[ . 1 . 2]" 1
619 1 48 VAL MG1 1 54 ALA MB . . 3.040 2.017 1.839 2.156 . 0 0 "[ . 1 . 2]" 1
620 1 48 VAL MG1 1 70 TYR QD . . 3.970 3.249 2.742 3.774 . 0 0 "[ . 1 . 2]" 1
621 1 48 VAL MG1 1 70 TYR QE . . 4.490 3.866 3.259 4.374 . 0 0 "[ . 1 . 2]" 1
622 1 48 VAL MG1 1 78 TYR HB2 . . 4.110 3.490 3.185 3.676 . 0 0 "[ . 1 . 2]" 1
623 1 48 VAL MG1 1 78 TYR HB3 . . 3.770 2.246 2.041 2.488 . 0 0 "[ . 1 . 2]" 1
624 1 48 VAL MG1 1 78 TYR QD . . 3.470 2.005 1.867 2.218 . 0 0 "[ . 1 . 2]" 1
625 1 48 VAL MG1 1 78 TYR QE . . 4.370 3.473 3.174 3.737 . 0 0 "[ . 1 . 2]" 1
626 1 48 VAL MG1 1 79 GLU H . . 4.350 4.176 3.851 4.349 . 0 0 "[ . 1 . 2]" 1
627 1 48 VAL MG1 1 80 VAL MG2 . . 3.270 2.536 2.080 2.802 . 0 0 "[ . 1 . 2]" 1
628 1 48 VAL MG2 1 49 GLU H . . 4.360 4.107 4.006 4.213 . 0 0 "[ . 1 . 2]" 1
629 1 48 VAL MG2 1 54 ALA MB . . 3.740 3.374 3.010 3.643 . 0 0 "[ . 1 . 2]" 1
630 1 48 VAL MG2 1 56 ILE MD . . 3.220 2.396 2.035 3.186 . 0 0 "[ . 1 . 2]" 1
631 1 48 VAL MG2 1 56 ILE HG12 . . 3.680 2.416 1.965 2.895 . 0 0 "[ . 1 . 2]" 1
632 1 48 VAL MG2 1 56 ILE HG13 . . 4.550 3.383 3.038 3.903 . 0 0 "[ . 1 . 2]" 1
633 1 48 VAL MG2 1 70 TYR HA . . 4.820 4.666 4.334 4.822 0.002 11 0 "[ . 1 . 2]" 1
634 1 48 VAL MG2 1 70 TYR QB . . 3.940 2.608 2.397 2.766 . 0 0 "[ . 1 . 2]" 1
635 1 48 VAL MG2 1 70 TYR QD . . 4.110 3.367 3.148 3.538 . 0 0 "[ . 1 . 2]" 1
636 1 48 VAL MG2 1 70 TYR QE . . 5.040 4.219 3.738 4.551 . 0 0 "[ . 1 . 2]" 1
637 1 48 VAL MG2 1 78 TYR QD . . 5.500 4.503 4.291 4.755 . 0 0 "[ . 1 . 2]" 1
638 1 48 VAL MG2 1 80 VAL HA . . 3.330 3.206 3.036 3.319 . 0 0 "[ . 1 . 2]" 1
639 1 48 VAL MG2 1 80 VAL MG1 . . 3.110 2.205 1.835 2.629 . 0 0 "[ . 1 . 2]" 1
640 1 48 VAL MG2 1 80 VAL MG2 . . 3.100 2.079 1.782 2.486 . 0 0 "[ . 1 . 2]" 1
641 1 48 VAL MG2 1 81 SER H . . 4.590 4.407 4.135 4.588 . 0 0 "[ . 1 . 2]" 1
642 1 49 GLU H 1 49 GLU HB2 . . 3.970 2.623 2.412 2.806 . 0 0 "[ . 1 . 2]" 1
643 1 49 GLU H 1 49 GLU QB . . 3.300 2.575 2.376 2.743 . 0 0 "[ . 1 . 2]" 1
644 1 49 GLU H 1 49 GLU HB3 . . 3.970 3.760 3.576 3.872 . 0 0 "[ . 1 . 2]" 1
645 1 49 GLU H 1 49 GLU HG2 . . 4.310 4.103 3.358 4.308 . 0 0 "[ . 1 . 2]" 1
646 1 49 GLU H 1 49 GLU HG3 . . 4.310 3.265 2.882 4.310 0.000 1 0 "[ . 1 . 2]" 1
647 1 49 GLU H 1 50 GLY H . . 4.600 4.325 4.164 4.503 . 0 0 "[ . 1 . 2]" 1
648 1 49 GLU H 1 79 GLU H . . 3.830 3.551 3.366 3.778 . 0 0 "[ . 1 . 2]" 1
649 1 49 GLU H 1 79 GLU HB2 . . 5.210 5.077 4.877 5.200 . 0 0 "[ . 1 . 2]" 1
650 1 49 GLU H 1 79 GLU HB3 . . 4.450 3.985 3.770 4.218 . 0 0 "[ . 1 . 2]" 1
651 1 49 GLU H 1 80 VAL HA . . 3.490 3.204 2.933 3.379 . 0 0 "[ . 1 . 2]" 1
652 1 49 GLU H 1 81 SER H . . 5.080 4.143 3.866 4.609 . 0 0 "[ . 1 . 2]" 1
653 1 49 GLU HA 1 49 GLU HG2 . . 3.940 2.715 2.539 3.739 . 0 0 "[ . 1 . 2]" 1
654 1 49 GLU HA 1 49 GLU HG3 . . 3.940 2.990 2.560 3.689 . 0 0 "[ . 1 . 2]" 1
655 1 49 GLU HA 1 50 GLY H . . 2.690 2.177 2.142 2.297 . 0 0 "[ . 1 . 2]" 1
656 1 49 GLU QB 1 49 GLU QG . . 2.330 2.065 1.991 2.086 . 0 0 "[ . 1 . 2]" 1
657 1 49 GLU QB 1 50 GLY H . . 3.320 3.133 2.678 3.322 0.002 7 0 "[ . 1 . 2]" 1
658 1 49 GLU QG 1 50 GLY H . . 4.220 4.132 3.936 4.220 0.000 18 0 "[ . 1 . 2]" 1
659 1 49 GLU HG2 1 50 GLY H . . 4.990 4.470 4.213 4.966 . 0 0 "[ . 1 . 2]" 1
660 1 49 GLU HG3 1 50 GLY H . . 4.990 4.913 4.127 4.990 . 13 0 "[ . 1 . 2]" 1
661 1 50 GLY H 1 51 PRO QD . . 5.000 4.156 4.089 4.254 . 0 0 "[ . 1 . 2]" 1
662 1 50 GLY H 1 52 SER H . . 4.270 3.867 3.621 4.185 . 0 0 "[ . 1 . 2]" 1
663 1 50 GLY H 1 78 TYR QD . . 4.410 3.876 3.433 4.380 . 0 0 "[ . 1 . 2]" 1
664 1 50 GLY HA2 1 51 PRO HD2 . . 3.640 3.124 3.069 3.149 . 0 0 "[ . 1 . 2]" 1
665 1 50 GLY HA2 1 51 PRO QD . . 3.190 2.632 2.581 2.655 . 0 0 "[ . 1 . 2]" 1
666 1 50 GLY HA2 1 51 PRO HD3 . . 3.640 2.833 2.777 2.860 . 0 0 "[ . 1 . 2]" 1
667 1 50 GLY HA2 1 78 TYR HA . . 4.270 3.024 2.632 3.338 . 0 0 "[ . 1 . 2]" 1
668 1 50 GLY HA2 1 78 TYR QD . . 4.830 4.393 4.066 4.715 . 0 0 "[ . 1 . 2]" 1
669 1 50 GLY HA2 1 79 GLU H . . 4.600 3.356 3.035 3.642 . 0 0 "[ . 1 . 2]" 1
670 1 50 GLY HA3 1 51 PRO HD2 . . 3.590 2.009 1.995 2.043 . 0 0 "[ . 1 . 2]" 1
671 1 50 GLY HA3 1 51 PRO HD3 . . 3.590 2.799 2.773 2.857 . 0 0 "[ . 1 . 2]" 1
672 1 50 GLY HA3 1 51 PRO HG2 . . 4.640 4.164 4.156 4.186 . 0 0 "[ . 1 . 2]" 1
673 1 50 GLY HA3 1 51 PRO HG3 . . 4.670 4.574 4.555 4.617 . 0 0 "[ . 1 . 2]" 1
674 1 50 GLY HA3 1 52 SER H . . 4.210 3.183 3.117 3.336 . 0 0 "[ . 1 . 2]" 1
675 1 50 GLY HA3 1 78 TYR HA . . 4.360 2.659 2.465 2.812 . 0 0 "[ . 1 . 2]" 1
676 1 50 GLY HA3 1 78 TYR QD . . 4.720 3.097 2.741 3.348 . 0 0 "[ . 1 . 2]" 1
677 1 50 GLY HA3 1 79 GLU H . . 4.510 3.862 3.661 4.042 . 0 0 "[ . 1 . 2]" 1
678 1 51 PRO QB 1 52 SER H . . 3.590 3.504 3.307 3.589 . 0 0 "[ . 1 . 2]" 1
679 1 51 PRO QB 1 76 GLY HA3 . . 5.110 4.105 3.854 4.281 . 0 0 "[ . 1 . 2]" 1
680 1 51 PRO HB2 1 52 SER H . . 4.430 3.696 3.457 3.800 . 0 0 "[ . 1 . 2]" 1
681 1 51 PRO HB3 1 52 SER H . . 4.430 4.351 4.212 4.411 . 0 0 "[ . 1 . 2]" 1
682 1 51 PRO QD 1 52 SER H . . 3.600 2.718 2.615 2.781 . 0 0 "[ . 1 . 2]" 1
683 1 51 PRO QD 1 78 TYR HA . . 4.270 3.256 3.025 3.439 . 0 0 "[ . 1 . 2]" 1
684 1 51 PRO QD 1 78 TYR QE . . 4.100 3.329 2.851 3.511 . 0 0 "[ . 1 . 2]" 1
685 1 51 PRO HD2 1 52 SER H . . 4.250 2.773 2.661 2.842 . 0 0 "[ . 1 . 2]" 1
686 1 51 PRO HD2 1 77 ASN H . . 4.480 4.311 4.129 4.444 . 0 0 "[ . 1 . 2]" 1
687 1 51 PRO HD2 1 78 TYR HA . . 4.870 3.520 3.295 3.725 . 0 0 "[ . 1 . 2]" 1
688 1 51 PRO HD2 1 78 TYR QE . . 4.950 3.402 2.901 3.594 . 0 0 "[ . 1 . 2]" 1
689 1 51 PRO HD3 1 52 SER H . . 4.250 3.909 3.848 3.946 . 0 0 "[ . 1 . 2]" 1
690 1 51 PRO HD3 1 77 ASN H . . 4.480 3.532 3.348 3.751 . 0 0 "[ . 1 . 2]" 1
691 1 51 PRO HD3 1 78 TYR HA . . 4.870 3.845 3.522 4.158 . 0 0 "[ . 1 . 2]" 1
692 1 51 PRO HD3 1 78 TYR QE . . 4.950 4.723 4.195 4.938 . 0 0 "[ . 1 . 2]" 1
693 1 51 PRO HG2 1 52 SER H . . 3.810 2.883 2.529 3.048 . 0 0 "[ . 1 . 2]" 1
694 1 51 PRO HG2 1 76 GLY HA2 . . 4.950 4.819 4.544 4.936 . 0 0 "[ . 1 . 2]" 1
695 1 51 PRO HG2 1 76 GLY HA3 . . 4.190 3.114 2.839 3.210 . 0 0 "[ . 1 . 2]" 1
696 1 51 PRO HG2 1 77 ASN H . . 4.790 4.710 4.404 4.793 0.003 12 0 "[ . 1 . 2]" 1
697 1 51 PRO HG2 1 78 TYR QE . . 4.330 3.604 2.956 3.941 . 0 0 "[ . 1 . 2]" 1
698 1 51 PRO HG2 1 78 TYR HH . . 4.480 3.254 2.543 4.059 . 0 0 "[ . 1 . 2]" 1
699 1 51 PRO HG3 1 52 SER H . . 5.010 4.266 3.999 4.390 . 0 0 "[ . 1 . 2]" 1
700 1 51 PRO HG3 1 76 GLY HA2 . . 3.880 3.769 3.588 3.878 . 0 0 "[ . 1 . 2]" 1
701 1 51 PRO HG3 1 76 GLY HA3 . . 3.980 2.309 2.030 2.502 . 0 0 "[ . 1 . 2]" 1
702 1 51 PRO HG3 1 77 ASN H . . 4.050 3.285 3.013 3.476 . 0 0 "[ . 1 . 2]" 1
703 1 51 PRO HG3 1 78 TYR QE . . 4.960 4.358 3.686 4.694 . 0 0 "[ . 1 . 2]" 1
704 1 52 SER H 1 52 SER HB2 . . 3.970 2.975 2.706 3.266 . 0 0 "[ . 1 . 2]" 1
705 1 52 SER H 1 52 SER QB . . 3.410 2.740 2.644 2.831 . 0 0 "[ . 1 . 2]" 1
706 1 52 SER H 1 52 SER HB3 . . 3.970 3.413 2.846 3.930 . 0 0 "[ . 1 . 2]" 1
707 1 52 SER H 1 53 LYS H . . 5.140 4.396 4.361 4.441 . 0 0 "[ . 1 . 2]" 1
708 1 52 SER H 1 78 TYR QE . . 3.580 3.374 3.021 3.522 . 0 0 "[ . 1 . 2]" 1
709 1 52 SER H 1 78 TYR HH . . 4.000 3.724 3.131 3.985 . 0 0 "[ . 1 . 2]" 1
710 1 52 SER HA 1 53 LYS H . . 3.260 2.475 2.306 2.612 . 0 0 "[ . 1 . 2]" 1
711 1 52 SER QB 1 53 LYS H . . 3.290 2.689 2.125 3.283 . 0 0 "[ . 1 . 2]" 1
712 1 52 SER QB 1 53 LYS QB . . 5.010 4.231 3.742 4.725 . 0 0 "[ . 1 . 2]" 1
713 1 52 SER QB 1 73 GLN HB2 . . 4.470 3.820 3.447 4.057 . 0 0 "[ . 1 . 2]" 1
714 1 52 SER QB 1 74 GLU H . . 3.760 3.080 2.653 3.312 . 0 0 "[ . 1 . 2]" 1
715 1 52 SER QB 1 74 GLU HB2 . . 3.540 2.351 1.930 2.519 . 0 0 "[ . 1 . 2]" 1
716 1 52 SER QB 1 74 GLU HB3 . . 4.000 3.786 3.306 3.996 . 0 0 "[ . 1 . 2]" 1
717 1 52 SER QB 1 74 GLU QG . . 3.320 2.830 2.309 3.277 . 0 0 "[ . 1 . 2]" 1
718 1 52 SER HB2 1 53 LYS H . . 3.920 3.742 3.478 3.919 . 0 0 "[ . 1 . 2]" 1
719 1 52 SER HB2 1 74 GLU H . . 4.280 3.767 3.137 4.186 . 0 0 "[ . 1 . 2]" 1
720 1 52 SER HB2 1 74 GLU HB2 . . 4.200 2.461 2.003 2.662 . 0 0 "[ . 1 . 2]" 1
721 1 52 SER HB2 1 74 GLU HG2 . . 4.510 4.208 3.863 4.507 . 0 0 "[ . 1 . 2]" 1
722 1 52 SER HB2 1 74 GLU HG3 . . 4.510 3.399 2.811 4.178 . 0 0 "[ . 1 . 2]" 1
723 1 52 SER HB3 1 53 LYS H . . 3.920 2.778 2.144 3.571 . 0 0 "[ . 1 . 2]" 1
724 1 52 SER HB3 1 74 GLU H . . 4.280 3.424 2.718 4.062 . 0 0 "[ . 1 . 2]" 1
725 1 52 SER HB3 1 74 GLU HB2 . . 4.200 3.034 2.523 3.378 . 0 0 "[ . 1 . 2]" 1
726 1 52 SER HB3 1 74 GLU HG2 . . 4.510 4.106 3.552 4.495 . 0 0 "[ . 1 . 2]" 1
727 1 52 SER HB3 1 74 GLU HG3 . . 4.510 3.458 2.486 4.399 . 0 0 "[ . 1 . 2]" 1
728 1 53 LYS H 1 53 LYS QB . . 3.130 2.251 2.133 2.429 . 0 0 "[ . 1 . 2]" 1
729 1 53 LYS H 1 53 LYS QG . . 4.940 3.834 2.279 4.083 . 0 0 "[ . 1 . 2]" 1
730 1 53 LYS H 1 54 ALA H . . 4.690 4.580 4.488 4.625 . 0 0 "[ . 1 . 2]" 1
731 1 53 LYS HA 1 53 LYS QD . . 4.420 3.658 2.012 4.415 . 0 0 "[ . 1 . 2]" 1
732 1 53 LYS HA 1 53 LYS HG2 . . 4.200 3.161 2.584 3.792 . 0 0 "[ . 1 . 2]" 1
733 1 53 LYS HA 1 53 LYS QG . . 3.660 2.483 2.165 3.329 . 0 0 "[ . 1 . 2]" 1
734 1 53 LYS HA 1 53 LYS HG3 . . 4.200 2.632 2.210 3.777 . 0 0 "[ . 1 . 2]" 1
735 1 53 LYS HA 1 54 ALA H . . 2.760 2.196 2.145 2.272 . 0 0 "[ . 1 . 2]" 1
736 1 53 LYS HA 1 54 ALA MB . . 4.250 3.891 3.806 3.944 . 0 0 "[ . 1 . 2]" 1
737 1 53 LYS QB 1 54 ALA H . . 3.980 3.543 2.787 3.798 . 0 0 "[ . 1 . 2]" 1
738 1 53 LYS QD 1 54 ALA H . . 4.950 4.275 2.427 4.903 . 0 0 "[ . 1 . 2]" 1
739 1 53 LYS QG 1 54 ALA H . . 3.980 2.673 2.291 3.564 . 0 0 "[ . 1 . 2]" 1
740 1 53 LYS HG2 1 54 ALA H . . 4.560 3.226 2.348 4.525 . 0 0 "[ . 1 . 2]" 1
741 1 53 LYS HG3 1 54 ALA H . . 4.560 3.121 2.492 4.507 . 0 0 "[ . 1 . 2]" 1
742 1 54 ALA H 1 54 ALA MB . . 3.130 2.484 2.279 2.573 . 0 0 "[ . 1 . 2]" 1
743 1 54 ALA H 1 55 GLU H . . 4.670 4.407 4.252 4.479 . 0 0 "[ . 1 . 2]" 1
744 1 54 ALA HA 1 55 GLU H . . 2.850 2.199 2.149 2.246 . 0 0 "[ . 1 . 2]" 1
745 1 54 ALA HA 1 55 GLU HB2 . . 5.130 4.305 4.230 4.484 . 0 0 "[ . 1 . 2]" 1
746 1 54 ALA HA 1 55 GLU QB . . 4.420 4.040 4.002 4.077 . 0 0 "[ . 1 . 2]" 1
747 1 54 ALA HA 1 55 GLU HB3 . . 5.130 4.907 4.685 5.035 . 0 0 "[ . 1 . 2]" 1
748 1 54 ALA HA 1 71 ILE H . . 4.710 4.563 4.172 4.710 . 0 0 "[ . 1 . 2]" 1
749 1 54 ALA HA 1 72 ALA MB . . 4.250 4.089 3.677 4.245 . 0 0 "[ . 1 . 2]" 1
750 1 54 ALA HA 1 73 GLN H . . 4.150 3.428 3.107 3.731 . 0 0 "[ . 1 . 2]" 1
751 1 54 ALA MB 1 55 GLU H . . 3.360 2.940 2.766 3.167 . 0 0 "[ . 1 . 2]" 1
752 1 54 ALA MB 1 56 ILE MD . . 3.870 3.629 3.442 3.857 . 0 0 "[ . 1 . 2]" 1
753 1 54 ALA MB 1 70 TYR HA . . 5.050 4.741 4.505 4.992 . 0 0 "[ . 1 . 2]" 1
754 1 54 ALA MB 1 70 TYR QB . . 3.590 3.325 3.115 3.567 . 0 0 "[ . 1 . 2]" 1
755 1 54 ALA MB 1 70 TYR QD . . 3.660 3.052 2.464 3.347 . 0 0 "[ . 1 . 2]" 1
756 1 54 ALA MB 1 70 TYR QE . . 4.860 4.433 3.798 4.821 . 0 0 "[ . 1 . 2]" 1
757 1 54 ALA MB 1 71 ILE H . . 4.120 3.713 3.201 3.928 . 0 0 "[ . 1 . 2]" 1
758 1 54 ALA MB 1 72 ALA HA . . 3.650 2.801 2.424 3.104 . 0 0 "[ . 1 . 2]" 1
759 1 54 ALA MB 1 72 ALA MB . . 3.580 2.955 2.438 3.237 . 0 0 "[ . 1 . 2]" 1
760 1 54 ALA MB 1 73 GLN H . . 5.500 4.241 3.901 4.529 . 0 0 "[ . 1 . 2]" 1
761 1 54 ALA MB 1 78 TYR QD . . 4.460 2.735 2.480 3.053 . 0 0 "[ . 1 . 2]" 1
762 1 54 ALA MB 1 78 TYR QE . . 4.260 2.193 1.973 2.569 . 0 0 "[ . 1 . 2]" 1
763 1 55 GLU H 1 55 GLU HB2 . . 3.500 2.425 2.288 2.587 . 0 0 "[ . 1 . 2]" 1
764 1 55 GLU H 1 55 GLU QB . . 3.020 2.258 2.199 2.332 . 0 0 "[ . 1 . 2]" 1
765 1 55 GLU H 1 55 GLU HB3 . . 3.500 2.722 2.514 2.848 . 0 0 "[ . 1 . 2]" 1
766 1 55 GLU H 1 55 GLU HG2 . . 4.670 4.488 4.249 4.658 . 0 0 "[ . 1 . 2]" 1
767 1 55 GLU H 1 55 GLU QG . . 4.110 3.970 3.881 4.088 . 0 0 "[ . 1 . 2]" 1
768 1 55 GLU H 1 55 GLU HG3 . . 4.670 4.441 4.257 4.647 . 0 0 "[ . 1 . 2]" 1
769 1 55 GLU H 1 56 ILE H . . 4.900 4.607 4.575 4.632 . 0 0 "[ . 1 . 2]" 1
770 1 55 GLU H 1 70 TYR HA . . 4.830 4.716 4.567 4.830 0.000 3 0 "[ . 1 . 2]" 1
771 1 55 GLU H 1 71 ILE HB . . 3.960 3.491 3.263 3.681 . 0 0 "[ . 1 . 2]" 1
772 1 55 GLU H 1 71 ILE MG . . 4.520 3.884 3.670 4.187 . 0 0 "[ . 1 . 2]" 1
773 1 55 GLU HA 1 55 GLU HG2 . . 3.990 2.825 2.201 3.681 . 0 0 "[ . 1 . 2]" 1
774 1 55 GLU HA 1 55 GLU QG . . 3.420 2.309 2.157 2.645 . 0 0 "[ . 1 . 2]" 1
775 1 55 GLU HA 1 55 GLU HG3 . . 3.990 2.743 2.194 3.632 . 0 0 "[ . 1 . 2]" 1
776 1 55 GLU HA 1 56 ILE H . . 2.930 2.280 2.222 2.335 . 0 0 "[ . 1 . 2]" 1
777 1 55 GLU HA 1 56 ILE HB . . 4.570 4.490 4.441 4.568 . 0 0 "[ . 1 . 2]" 1
778 1 55 GLU HA 1 56 ILE HG13 . . 4.690 3.565 3.420 3.663 . 0 0 "[ . 1 . 2]" 1
779 1 55 GLU QB 1 56 ILE H . . 3.850 3.394 3.242 3.506 . 0 0 "[ . 1 . 2]" 1
780 1 55 GLU QB 1 71 ILE HB . . 3.610 2.494 2.176 2.793 . 0 0 "[ . 1 . 2]" 1
781 1 55 GLU QB 1 71 ILE MD . . 3.680 3.521 3.307 3.679 . 0 0 "[ . 1 . 2]" 1
782 1 55 GLU QB 1 71 ILE MG . . 3.880 3.591 3.335 3.868 . 0 0 "[ . 1 . 2]" 1
783 1 55 GLU HB2 1 56 ILE H . . 4.480 4.098 3.992 4.213 . 0 0 "[ . 1 . 2]" 1
784 1 55 GLU HB2 1 71 ILE H . . 4.420 3.987 3.730 4.320 . 0 0 "[ . 1 . 2]" 1
785 1 55 GLU HB2 1 71 ILE HB . . 4.120 3.366 3.054 3.676 . 0 0 "[ . 1 . 2]" 1
786 1 55 GLU HB2 1 71 ILE MG . . 4.670 4.070 3.741 4.460 . 0 0 "[ . 1 . 2]" 1
787 1 55 GLU HB3 1 56 ILE H . . 4.480 3.627 3.408 3.837 . 0 0 "[ . 1 . 2]" 1
788 1 55 GLU HB3 1 71 ILE H . . 4.420 2.725 2.333 3.117 . 0 0 "[ . 1 . 2]" 1
789 1 55 GLU HB3 1 71 ILE HB . . 4.120 2.577 2.213 2.902 . 0 0 "[ . 1 . 2]" 1
790 1 55 GLU HB3 1 71 ILE MG . . 4.670 4.008 3.662 4.298 . 0 0 "[ . 1 . 2]" 1
791 1 55 GLU QG 1 56 ILE H . . 4.020 2.326 1.940 2.968 . 0 0 "[ . 1 . 2]" 1
792 1 55 GLU QG 1 56 ILE HA . . 5.340 4.164 3.527 4.980 . 0 0 "[ . 1 . 2]" 1
793 1 55 GLU HG2 1 56 ILE H . . 4.620 2.546 1.952 4.069 . 0 0 "[ . 1 . 2]" 1
794 1 55 GLU HG3 1 56 ILE H . . 4.620 3.122 2.372 4.099 . 0 0 "[ . 1 . 2]" 1
795 1 56 ILE H 1 56 ILE HB . . 3.320 2.821 2.741 2.871 . 0 0 "[ . 1 . 2]" 1
796 1 56 ILE H 1 56 ILE MD . . 4.100 4.015 3.795 4.098 . 0 0 "[ . 1 . 2]" 1
797 1 56 ILE H 1 56 ILE HG12 . . 4.730 4.344 4.204 4.425 . 0 0 "[ . 1 . 2]" 1
798 1 56 ILE H 1 56 ILE HG13 . . 3.600 3.107 2.983 3.194 . 0 0 "[ . 1 . 2]" 1
799 1 56 ILE H 1 56 ILE MG . . 4.150 3.904 3.875 3.934 . 0 0 "[ . 1 . 2]" 1
800 1 56 ILE HA 1 56 ILE HG13 . . 4.210 2.785 2.674 2.925 . 0 0 "[ . 1 . 2]" 1
801 1 56 ILE HA 1 56 ILE MG . . 3.510 2.370 2.277 2.478 . 0 0 "[ . 1 . 2]" 1
802 1 56 ILE HA 1 57 THR H . . 3.350 2.164 2.139 2.189 . 0 0 "[ . 1 . 2]" 1
803 1 56 ILE HA 1 57 THR HB . . 4.720 4.644 4.505 4.719 . 0 0 "[ . 1 . 2]" 1
804 1 56 ILE HA 1 69 SER H . . 4.890 4.767 4.564 4.871 . 0 0 "[ . 1 . 2]" 1
805 1 56 ILE HA 1 70 TYR HA . . 3.690 2.618 2.407 2.786 . 0 0 "[ . 1 . 2]" 1
806 1 56 ILE HA 1 70 TYR QB . . 4.440 3.163 2.816 3.466 . 0 0 "[ . 1 . 2]" 1
807 1 56 ILE HA 1 71 ILE H . . 4.340 4.145 3.947 4.314 . 0 0 "[ . 1 . 2]" 1
808 1 56 ILE HB 1 56 ILE MD . . 3.400 2.249 2.121 2.365 . 0 0 "[ . 1 . 2]" 1
809 1 56 ILE HB 1 57 THR H . . 4.680 4.151 4.035 4.387 . 0 0 "[ . 1 . 2]" 1
810 1 56 ILE MD 1 56 ILE MG . . 2.960 2.258 1.994 2.428 . 0 0 "[ . 1 . 2]" 1
811 1 56 ILE MD 1 70 TYR QB . . 4.090 3.918 3.623 4.081 . 0 0 "[ . 1 . 2]" 1
812 1 56 ILE HG12 1 70 TYR HA . . 5.150 3.973 3.667 4.270 . 0 0 "[ . 1 . 2]" 1
813 1 56 ILE HG12 1 70 TYR QB . . 4.170 2.765 2.356 2.948 . 0 0 "[ . 1 . 2]" 1
814 1 56 ILE HG13 1 70 TYR QB . . 4.410 3.346 3.008 3.709 . 0 0 "[ . 1 . 2]" 1
815 1 56 ILE MG 1 57 THR H . . 3.560 2.377 2.086 2.917 . 0 0 "[ . 1 . 2]" 1
816 1 56 ILE MG 1 58 PHE H . . 4.530 3.671 3.359 4.051 . 0 0 "[ . 1 . 2]" 1
817 1 56 ILE MG 1 58 PHE QB . . 4.420 3.103 2.617 3.477 . 0 0 "[ . 1 . 2]" 1
818 1 56 ILE MG 1 68 VAL MG1 . . 3.240 2.761 2.280 3.216 . 0 0 "[ . 1 . 2]" 1
819 1 56 ILE MG 1 69 SER H . . 4.210 3.980 3.750 4.195 . 0 0 "[ . 1 . 2]" 1
820 1 56 ILE MG 1 70 TYR HA . . 4.590 4.236 3.930 4.451 . 0 0 "[ . 1 . 2]" 1
821 1 56 ILE MG 1 70 TYR QB . . 4.090 3.534 3.170 3.851 . 0 0 "[ . 1 . 2]" 1
822 1 57 THR H 1 57 THR HB . . 3.710 2.736 2.573 2.861 . 0 0 "[ . 1 . 2]" 1
823 1 57 THR H 1 57 THR MG . . 4.320 3.895 3.817 3.948 . 0 0 "[ . 1 . 2]" 1
824 1 57 THR H 1 68 VAL MG1 . . 4.600 3.749 3.251 4.312 . 0 0 "[ . 1 . 2]" 1
825 1 57 THR H 1 69 SER H . . 3.810 3.224 2.836 3.728 . 0 0 "[ . 1 . 2]" 1
826 1 57 THR H 1 70 TYR HA . . 4.240 3.733 3.415 3.958 . 0 0 "[ . 1 . 2]" 1
827 1 57 THR H 1 70 TYR QB . . 4.720 4.292 3.957 4.601 . 0 0 "[ . 1 . 2]" 1
828 1 57 THR HA 1 57 THR MG . . 3.300 2.313 2.205 2.397 . 0 0 "[ . 1 . 2]" 1
829 1 57 THR HA 1 58 PHE H . . 2.750 2.160 2.142 2.192 . 0 0 "[ . 1 . 2]" 1
830 1 57 THR HA 1 58 PHE QB . . 4.690 4.141 4.006 4.211 . 0 0 "[ . 1 . 2]" 1
831 1 57 THR HB 1 58 PHE H . . 4.400 4.326 4.196 4.394 . 0 0 "[ . 1 . 2]" 1
832 1 57 THR HB 1 69 SER H . . 4.150 3.560 2.949 4.093 . 0 0 "[ . 1 . 2]" 1
833 1 57 THR HB 1 69 SER HB2 . . 4.450 4.152 2.341 4.444 . 0 0 "[ . 1 . 2]" 1
834 1 57 THR HB 1 69 SER HB3 . . 4.450 3.952 3.055 4.348 . 0 0 "[ . 1 . 2]" 1
835 1 57 THR MG 1 58 PHE H . . 3.700 2.948 2.303 3.285 . 0 0 "[ . 1 . 2]" 1
836 1 58 PHE H 1 58 PHE HB2 . . 3.910 2.818 2.605 2.978 . 0 0 "[ . 1 . 2]" 1
837 1 58 PHE H 1 58 PHE QB . . 3.430 2.484 2.347 2.626 . 0 0 "[ . 1 . 2]" 1
838 1 58 PHE H 1 58 PHE HB3 . . 3.910 2.769 2.537 2.972 . 0 0 "[ . 1 . 2]" 1
839 1 58 PHE HA 1 59 ASP H . . 3.290 2.167 2.138 2.213 . 0 0 "[ . 1 . 2]" 1
840 1 58 PHE HA 1 68 VAL HA . . 4.790 3.412 2.904 4.158 . 0 0 "[ . 1 . 2]" 1
841 1 58 PHE HA 1 68 VAL MG2 . . 4.610 3.669 2.696 4.334 . 0 0 "[ . 1 . 2]" 1
842 1 58 PHE HA 1 69 SER H . . 4.490 4.196 3.866 4.488 . 0 0 "[ . 1 . 2]" 1
843 1 58 PHE QB 1 59 ASP H . . 4.150 3.869 3.670 3.995 . 0 0 "[ . 1 . 2]" 1
844 1 58 PHE HB2 1 59 ASP H . . 4.710 4.480 4.262 4.614 . 0 0 "[ . 1 . 2]" 1
845 1 58 PHE HB3 1 59 ASP H . . 4.710 4.232 4.006 4.429 . 0 0 "[ . 1 . 2]" 1
846 1 58 PHE QD 1 68 VAL MG2 . . 3.940 2.251 1.923 2.794 . 0 0 "[ . 1 . 2]" 1
847 1 58 PHE QE 1 60 ASP HB2 . . 5.010 3.805 2.144 4.980 . 0 0 "[ . 1 . 2]" 1
848 1 58 PHE QE 1 60 ASP QB . . 4.350 3.128 1.993 4.064 . 0 0 "[ . 1 . 2]" 1
849 1 58 PHE QE 1 60 ASP HB3 . . 5.010 3.800 2.003 4.899 . 0 0 "[ . 1 . 2]" 1
850 1 59 ASP H 1 59 ASP QB . . 3.550 2.599 2.295 3.000 . 0 0 "[ . 1 . 2]" 1
851 1 59 ASP H 1 60 ASP H . . 4.580 4.269 4.013 4.513 . 0 0 "[ . 1 . 2]" 1
852 1 59 ASP HA 1 60 ASP H . . 3.110 2.163 2.137 2.243 . 0 0 "[ . 1 . 2]" 1
853 1 60 ASP H 1 60 ASP HB2 . . 3.700 3.288 2.456 3.680 . 0 0 "[ . 1 . 2]" 1
854 1 60 ASP H 1 60 ASP QB . . 3.230 2.590 2.193 3.046 . 0 0 "[ . 1 . 2]" 1
855 1 60 ASP H 1 60 ASP HB3 . . 3.700 2.776 2.287 3.614 . 0 0 "[ . 1 . 2]" 1
856 1 61 HIS HA 1 61 HIS HD2 . . 4.940 3.821 2.245 4.829 . 0 0 "[ . 1 . 2]" 1
857 1 62 LYS HA 1 62 LYS HD2 . . 4.760 3.452 2.070 4.648 . 0 0 "[ . 1 . 2]" 1
858 1 62 LYS HA 1 62 LYS QD . . 4.040 2.954 2.029 4.038 . 0 0 "[ . 1 . 2]" 1
859 1 62 LYS HA 1 62 LYS HD3 . . 4.760 3.586 2.047 4.715 . 0 0 "[ . 1 . 2]" 1
860 1 62 LYS HA 1 62 LYS HG2 . . 4.210 2.843 2.181 3.753 . 0 0 "[ . 1 . 2]" 1
861 1 62 LYS HA 1 62 LYS QG . . 3.580 2.540 2.140 3.391 . 0 0 "[ . 1 . 2]" 1
862 1 62 LYS HA 1 62 LYS HG3 . . 4.210 3.278 2.203 4.189 . 0 0 "[ . 1 . 2]" 1
863 1 62 LYS HA 1 63 ASN HA . . 4.840 4.499 4.304 4.736 . 0 0 "[ . 1 . 2]" 1
864 1 64 GLY H 1 65 SER H . . 4.210 3.319 1.973 4.178 . 0 0 "[ . 1 . 2]" 1
865 1 67 GLY H 1 68 VAL H . . 5.340 4.136 2.783 4.613 . 0 0 "[ . 1 . 2]" 1
866 1 68 VAL H 1 68 VAL MG2 . . 3.960 2.683 2.365 3.055 . 0 0 "[ . 1 . 2]" 1
867 1 68 VAL HA 1 68 VAL MG1 . . 3.560 2.368 2.260 2.474 . 0 0 "[ . 1 . 2]" 1
868 1 68 VAL HA 1 68 VAL MG2 . . 3.720 2.356 2.231 2.484 . 0 0 "[ . 1 . 2]" 1
869 1 68 VAL HA 1 69 SER H . . 2.940 2.170 2.139 2.240 . 0 0 "[ . 1 . 2]" 1
870 1 68 VAL HB 1 69 SER H . . 4.770 4.115 3.829 4.305 . 0 0 "[ . 1 . 2]" 1
871 1 68 VAL MG1 1 69 SER H . . 3.250 2.470 1.902 2.875 . 0 0 "[ . 1 . 2]" 1
872 1 68 VAL MG1 1 69 SER HA . . 4.490 3.650 3.411 3.858 . 0 0 "[ . 1 . 2]" 1
873 1 68 VAL MG1 1 70 TYR QD . . 4.150 3.788 3.490 4.056 . 0 0 "[ . 1 . 2]" 1
874 1 69 SER H 1 69 SER HB2 . . 4.110 3.623 2.868 3.889 . 0 0 "[ . 1 . 2]" 1
875 1 69 SER H 1 69 SER QB . . 3.550 2.813 2.482 3.030 . 0 0 "[ . 1 . 2]" 1
876 1 69 SER H 1 69 SER HB3 . . 4.110 3.018 2.673 3.921 . 0 0 "[ . 1 . 2]" 1
877 1 69 SER H 1 70 TYR H . . 4.520 4.466 4.386 4.526 0.006 7 0 "[ . 1 . 2]" 1
878 1 69 SER HA 1 70 TYR H . . 3.010 2.274 2.195 2.375 . 0 0 "[ . 1 . 2]" 1
879 1 69 SER QB 1 70 TYR H . . 3.590 2.844 2.595 3.348 . 0 0 "[ . 1 . 2]" 1
880 1 69 SER HB2 1 70 TYR H . . 4.240 3.040 2.680 4.145 . 0 0 "[ . 1 . 2]" 1
881 1 69 SER HB3 1 70 TYR H . . 4.240 3.891 2.672 4.174 . 0 0 "[ . 1 . 2]" 1
882 1 70 TYR H 1 70 TYR QD . . 3.730 3.023 2.307 3.426 . 0 0 "[ . 1 . 2]" 1
883 1 70 TYR H 1 71 ILE H . . 4.630 4.292 4.189 4.408 . 0 0 "[ . 1 . 2]" 1
884 1 70 TYR HA 1 70 TYR QD . . 4.260 3.691 3.575 3.734 . 0 0 "[ . 1 . 2]" 1
885 1 70 TYR HA 1 71 ILE H . . 3.020 2.230 2.171 2.331 . 0 0 "[ . 1 . 2]" 1
886 1 70 TYR HA 1 71 ILE HB . . 4.660 4.393 4.346 4.458 . 0 0 "[ . 1 . 2]" 1
887 1 70 TYR QB 1 71 ILE H . . 3.340 2.913 2.630 3.132 . 0 0 "[ . 1 . 2]" 1
888 1 70 TYR QD 1 71 ILE H . . 4.140 3.414 3.030 3.976 . 0 0 "[ . 1 . 2]" 1
889 1 70 TYR QD 1 71 ILE HA . . 4.520 3.579 3.183 4.156 . 0 0 "[ . 1 . 2]" 1
890 1 70 TYR QD 1 72 ALA H . . 4.370 4.048 3.550 4.314 . 0 0 "[ . 1 . 2]" 1
891 1 70 TYR QD 1 72 ALA MB . . 3.780 3.520 3.324 3.671 . 0 0 "[ . 1 . 2]" 1
892 1 70 TYR QD 1 80 VAL MG2 . . 4.920 4.147 3.875 4.417 . 0 0 "[ . 1 . 2]" 1
893 1 70 TYR QE 1 71 ILE HA . . 5.500 4.600 4.144 5.172 . 0 0 "[ . 1 . 2]" 1
894 1 70 TYR QE 1 72 ALA MB . . 3.800 3.221 2.647 3.642 . 0 0 "[ . 1 . 2]" 1
895 1 70 TYR QE 1 80 VAL MG2 . . 4.100 3.844 3.281 4.091 . 0 0 "[ . 1 . 2]" 1
896 1 70 TYR QE 1 96 VAL MG1 . . 4.430 3.781 3.400 4.216 . 0 0 "[ . 1 . 2]" 1
897 1 70 TYR QE 1 98 VAL MG2 . . 3.900 2.813 2.529 3.060 . 0 0 "[ . 1 . 2]" 1
898 1 70 TYR HH 1 80 VAL MG2 . . 4.640 3.967 3.150 4.428 . 0 0 "[ . 1 . 2]" 1
899 1 70 TYR HH 1 96 VAL MG1 . . 3.600 2.406 2.040 3.057 . 0 0 "[ . 1 . 2]" 1
900 1 70 TYR HH 1 96 VAL MG2 . . 4.300 2.787 2.308 3.584 . 0 0 "[ . 1 . 2]" 1
901 1 71 ILE H 1 71 ILE HB . . 3.430 2.598 2.497 2.731 . 0 0 "[ . 1 . 2]" 1
902 1 71 ILE H 1 71 ILE MD . . 4.290 4.098 3.985 4.237 . 0 0 "[ . 1 . 2]" 1
903 1 71 ILE H 1 71 ILE HG12 . . 4.470 4.323 4.247 4.447 . 0 0 "[ . 1 . 2]" 1
904 1 71 ILE H 1 71 ILE HG13 . . 3.800 3.198 3.076 3.321 . 0 0 "[ . 1 . 2]" 1
905 1 71 ILE H 1 71 ILE MG . . 3.980 3.773 3.729 3.853 . 0 0 "[ . 1 . 2]" 1
906 1 71 ILE H 1 72 ALA H . . 4.580 4.369 4.224 4.465 . 0 0 "[ . 1 . 2]" 1
907 1 71 ILE HA 1 71 ILE MD . . 4.000 3.810 3.779 3.843 . 0 0 "[ . 1 . 2]" 1
908 1 71 ILE HA 1 71 ILE HG12 . . 3.930 2.542 2.437 2.632 . 0 0 "[ . 1 . 2]" 1
909 1 71 ILE HA 1 71 ILE HG13 . . 4.080 2.736 2.660 2.809 . 0 0 "[ . 1 . 2]" 1
910 1 71 ILE HA 1 71 ILE MG . . 3.090 2.462 2.385 2.529 . 0 0 "[ . 1 . 2]" 1
911 1 71 ILE HA 1 72 ALA H . . 2.940 2.183 2.139 2.240 . 0 0 "[ . 1 . 2]" 1
912 1 71 ILE HA 1 72 ALA HA . . 4.870 4.392 4.380 4.408 . 0 0 "[ . 1 . 2]" 1
913 1 71 ILE HA 1 72 ALA MB . . 4.140 3.913 3.817 3.983 . 0 0 "[ . 1 . 2]" 1
914 1 71 ILE HB 1 71 ILE MD . . 3.220 2.296 2.233 2.397 . 0 0 "[ . 1 . 2]" 1
915 1 71 ILE HB 1 72 ALA H . . 5.030 4.183 4.027 4.380 . 0 0 "[ . 1 . 2]" 1
916 1 71 ILE MD 1 71 ILE MG . . 2.950 2.097 1.951 2.251 . 0 0 "[ . 1 . 2]" 1
917 1 71 ILE HG12 1 71 ILE MG . . 3.490 2.339 2.236 2.389 . 0 0 "[ . 1 . 2]" 1
918 1 71 ILE HG12 1 72 ALA H . . 4.450 4.070 3.871 4.232 . 0 0 "[ . 1 . 2]" 1
919 1 71 ILE MG 1 72 ALA H . . 3.580 2.284 1.958 2.783 . 0 0 "[ . 1 . 2]" 1
920 1 71 ILE MG 1 72 ALA HA . . 4.160 3.579 3.433 3.774 . 0 0 "[ . 1 . 2]" 1
921 1 71 ILE MG 1 73 GLN HA . . 4.320 3.426 3.284 3.570 . 0 0 "[ . 1 . 2]" 1
922 1 71 ILE MG 1 73 GLN HE21 . . 4.190 2.685 1.913 3.746 . 0 0 "[ . 1 . 2]" 1
923 1 71 ILE MG 1 73 GLN HE22 . . 4.190 3.003 2.163 4.164 . 0 0 "[ . 1 . 2]" 1
924 1 71 ILE MG 1 73 GLN HG2 . . 4.920 3.700 3.157 4.795 . 0 0 "[ . 1 . 2]" 1
925 1 71 ILE MG 1 73 GLN QG . . 4.180 3.517 3.111 3.955 . 0 0 "[ . 1 . 2]" 1
926 1 71 ILE MG 1 73 GLN HG3 . . 4.920 4.766 3.296 4.921 0.001 17 0 "[ . 1 . 2]" 1
927 1 72 ALA H 1 72 ALA MB . . 3.280 2.331 2.180 2.470 . 0 0 "[ . 1 . 2]" 1
928 1 72 ALA HA 1 73 GLN H . . 2.920 2.183 2.149 2.207 . 0 0 "[ . 1 . 2]" 1
929 1 72 ALA HA 1 73 GLN HA . . 4.480 4.458 4.412 4.485 0.005 17 0 "[ . 1 . 2]" 1
930 1 72 ALA HA 1 73 GLN QG . . 4.600 4.098 3.732 4.581 . 0 0 "[ . 1 . 2]" 1
931 1 72 ALA HA 1 74 GLU H . . 4.130 3.866 3.578 4.089 . 0 0 "[ . 1 . 2]" 1
932 1 72 ALA MB 1 73 GLN H . . 3.640 3.463 3.337 3.514 . 0 0 "[ . 1 . 2]" 1
933 1 72 ALA MB 1 74 GLU H . . 3.730 3.411 3.041 3.689 . 0 0 "[ . 1 . 2]" 1
934 1 72 ALA MB 1 78 TYR QD . . 4.250 3.310 3.081 3.473 . 0 0 "[ . 1 . 2]" 1
935 1 72 ALA MB 1 78 TYR QE . . 3.710 2.522 2.254 2.775 . 0 0 "[ . 1 . 2]" 1
936 1 72 ALA MB 1 78 TYR HH . . 3.860 2.815 2.160 3.487 . 0 0 "[ . 1 . 2]" 1
937 1 72 ALA MB 1 98 VAL HB . . 4.250 3.518 3.206 3.745 . 0 0 "[ . 1 . 2]" 1
938 1 72 ALA MB 1 98 VAL MG1 . . 3.120 2.289 1.980 2.799 . 0 0 "[ . 1 . 2]" 1
939 1 72 ALA MB 1 98 VAL MG2 . . 3.300 2.679 2.368 2.857 . 0 0 "[ . 1 . 2]" 1
940 1 73 GLN H 1 73 GLN HB2 . . 3.260 2.547 2.316 2.809 . 0 0 "[ . 1 . 2]" 1
941 1 73 GLN H 1 73 GLN HB3 . . 3.610 3.590 3.556 3.615 0.005 12 0 "[ . 1 . 2]" 1
942 1 73 GLN H 1 73 GLN HG2 . . 4.010 2.308 1.949 3.708 . 0 0 "[ . 1 . 2]" 1
943 1 73 GLN H 1 73 GLN QG . . 3.480 2.236 1.939 2.680 . 0 0 "[ . 1 . 2]" 1
944 1 73 GLN H 1 73 GLN HG3 . . 4.010 3.569 2.750 3.891 . 0 0 "[ . 1 . 2]" 1
945 1 73 GLN H 1 74 GLU H . . 3.280 2.916 2.692 3.117 . 0 0 "[ . 1 . 2]" 1
946 1 73 GLN HA 1 73 GLN HG2 . . 4.070 3.100 2.649 3.570 . 0 0 "[ . 1 . 2]" 1
947 1 73 GLN HA 1 73 GLN QG . . 3.570 2.887 2.383 3.206 . 0 0 "[ . 1 . 2]" 1
948 1 73 GLN HA 1 73 GLN HG3 . . 4.070 3.627 2.420 3.799 . 0 0 "[ . 1 . 2]" 1
949 1 73 GLN HB2 1 74 GLU H . . 3.330 2.515 2.228 2.855 . 0 0 "[ . 1 . 2]" 1
950 1 73 GLN HB2 1 74 GLU QG . . 3.820 2.862 2.378 3.242 . 0 0 "[ . 1 . 2]" 1
951 1 73 GLN HB3 1 74 GLU H . . 4.450 3.498 3.273 4.004 . 0 0 "[ . 1 . 2]" 1
952 1 74 GLU H 1 74 GLU HB2 . . 3.370 2.651 2.465 2.879 . 0 0 "[ . 1 . 2]" 1
953 1 74 GLU H 1 74 GLU HB3 . . 4.120 3.736 3.664 3.822 . 0 0 "[ . 1 . 2]" 1
954 1 74 GLU H 1 74 GLU HG2 . . 4.130 2.881 2.456 3.481 . 0 0 "[ . 1 . 2]" 1
955 1 74 GLU H 1 74 GLU QG . . 3.390 2.596 2.215 2.877 . 0 0 "[ . 1 . 2]" 1
956 1 74 GLU H 1 74 GLU HG3 . . 4.130 3.442 2.240 4.061 . 0 0 "[ . 1 . 2]" 1
957 1 74 GLU H 1 78 TYR QE . . 4.630 4.366 4.130 4.632 0.002 12 0 "[ . 1 . 2]" 1
958 1 74 GLU H 1 78 TYR HH . . 3.350 2.940 2.242 3.236 . 0 0 "[ . 1 . 2]" 1
959 1 74 GLU HA 1 74 GLU HG2 . . 4.130 2.847 2.529 3.078 . 0 0 "[ . 1 . 2]" 1
960 1 74 GLU HA 1 74 GLU HG3 . . 4.130 3.705 3.238 3.884 . 0 0 "[ . 1 . 2]" 1
961 1 74 GLU HA 1 75 PRO HD2 . . 3.280 2.262 2.252 2.299 . 0 0 "[ . 1 . 2]" 1
962 1 74 GLU HA 1 75 PRO HD3 . . 3.310 2.259 2.257 2.266 . 0 0 "[ . 1 . 2]" 1
963 1 74 GLU HA 1 75 PRO HG2 . . 4.600 4.401 4.392 4.430 . 0 0 "[ . 1 . 2]" 1
964 1 74 GLU HA 1 75 PRO HG3 . . 4.590 4.395 4.390 4.414 . 0 0 "[ . 1 . 2]" 1
965 1 74 GLU HB2 1 75 PRO HD2 . . 3.900 3.713 3.531 3.847 . 0 0 "[ . 1 . 2]" 1
966 1 74 GLU HB2 1 75 PRO HD3 . . 4.840 4.739 4.608 4.831 . 0 0 "[ . 1 . 2]" 1
967 1 74 GLU HB2 1 78 TYR HH . . 4.220 2.859 2.450 3.242 . 0 0 "[ . 1 . 2]" 1
968 1 74 GLU HB3 1 75 PRO HD2 . . 3.590 2.277 2.175 2.341 . 0 0 "[ . 1 . 2]" 1
969 1 74 GLU HB3 1 75 PRO HD3 . . 4.430 3.679 3.592 3.742 . 0 0 "[ . 1 . 2]" 1
970 1 74 GLU HB3 1 78 TYR HH . . 4.620 4.245 3.914 4.498 . 0 0 "[ . 1 . 2]" 1
971 1 74 GLU QG 1 75 PRO HD2 . . 4.260 3.971 3.727 4.173 . 0 0 "[ . 1 . 2]" 1
972 1 75 PRO HA 1 76 GLY H . . 2.990 2.273 2.186 2.436 . 0 0 "[ . 1 . 2]" 1
973 1 75 PRO HA 1 78 TYR QE . . 4.390 3.330 3.148 3.626 . 0 0 "[ . 1 . 2]" 1
974 1 75 PRO HA 1 98 VAL MG1 . . 3.340 2.225 2.006 2.572 . 0 0 "[ . 1 . 2]" 1
975 1 75 PRO HB2 1 76 GLY H . . 3.680 2.997 2.537 3.335 . 0 0 "[ . 1 . 2]" 1
976 1 75 PRO HB2 1 76 GLY HA2 . . 4.870 3.968 3.825 4.077 . 0 0 "[ . 1 . 2]" 1
977 1 75 PRO HB2 1 76 GLY HA3 . . 4.830 4.624 4.448 4.818 . 0 0 "[ . 1 . 2]" 1
978 1 75 PRO HB2 1 98 VAL MG1 . . 4.640 4.135 3.750 4.490 . 0 0 "[ . 1 . 2]" 1
979 1 75 PRO HB2 1 99 ILE HA . . 4.020 2.530 2.204 2.752 . 0 0 "[ . 1 . 2]" 1
980 1 75 PRO HB2 1 99 ILE MG . . 5.160 4.041 3.675 4.463 . 0 0 "[ . 1 . 2]" 1
981 1 75 PRO HB2 1 100 ALA H . . 4.530 3.135 2.852 3.447 . 0 0 "[ . 1 . 2]" 1
982 1 75 PRO HB2 1 100 ALA MB . . 3.810 3.587 3.269 3.739 . 0 0 "[ . 1 . 2]" 1
983 1 75 PRO HB3 1 76 GLY H . . 4.090 3.667 3.417 3.872 . 0 0 "[ . 1 . 2]" 1
984 1 75 PRO HB3 1 98 VAL MG1 . . 4.600 3.407 2.946 3.744 . 0 0 "[ . 1 . 2]" 1
985 1 75 PRO HB3 1 99 ILE HA . . 3.990 2.614 2.367 3.023 . 0 0 "[ . 1 . 2]" 1
986 1 75 PRO HB3 1 100 ALA H . . 3.590 2.533 2.103 3.004 . 0 0 "[ . 1 . 2]" 1
987 1 75 PRO HB3 1 100 ALA MB . . 3.410 2.721 2.471 2.980 . 0 0 "[ . 1 . 2]" 1
988 1 75 PRO HD2 1 100 ALA MB . . 4.310 4.083 3.820 4.275 . 0 0 "[ . 1 . 2]" 1
989 1 75 PRO HD3 1 100 ALA H . . 5.310 4.875 4.472 5.259 . 0 0 "[ . 1 . 2]" 1
990 1 75 PRO HD3 1 100 ALA MB . . 3.450 3.012 2.554 3.274 . 0 0 "[ . 1 . 2]" 1
991 1 75 PRO HG2 1 76 GLY H . . 5.020 4.684 4.364 4.876 . 0 0 "[ . 1 . 2]" 1
992 1 75 PRO HG2 1 100 ALA H . . 4.550 4.441 4.100 4.551 0.001 6 0 "[ . 1 . 2]" 1
993 1 75 PRO HG2 1 100 ALA MB . . 3.710 3.574 3.326 3.691 . 0 0 "[ . 1 . 2]" 1
994 1 75 PRO HG3 1 100 ALA H . . 4.880 3.335 2.945 3.559 . 0 0 "[ . 1 . 2]" 1
995 1 75 PRO HG3 1 100 ALA HA . . 4.310 4.048 3.552 4.301 . 0 0 "[ . 1 . 2]" 1
996 1 75 PRO HG3 1 100 ALA MB . . 3.340 2.051 1.977 2.219 . 0 0 "[ . 1 . 2]" 1
997 1 76 GLY H 1 77 ASN H . . 4.460 4.402 4.386 4.428 . 0 0 "[ . 1 . 2]" 1
998 1 76 GLY H 1 77 ASN HA . . 5.000 4.757 4.718 4.807 . 0 0 "[ . 1 . 2]" 1
999 1 76 GLY H 1 78 TYR QE . . 3.860 3.253 2.975 3.530 . 0 0 "[ . 1 . 2]" 1
1000 1 76 GLY H 1 97 PRO HA . . 5.200 5.044 4.851 5.184 . 0 0 "[ . 1 . 2]" 1
1001 1 76 GLY H 1 98 VAL H . . 3.680 3.418 3.273 3.629 . 0 0 "[ . 1 . 2]" 1
1002 1 76 GLY H 1 98 VAL HB . . 3.330 2.216 1.935 2.510 . 0 0 "[ . 1 . 2]" 1
1003 1 76 GLY H 1 98 VAL MG1 . . 3.810 3.021 2.791 3.532 . 0 0 "[ . 1 . 2]" 1
1004 1 76 GLY H 1 98 VAL MG2 . . 4.180 3.870 3.644 4.137 . 0 0 "[ . 1 . 2]" 1
1005 1 76 GLY H 1 99 ILE HA . . 4.810 3.553 3.230 3.938 . 0 0 "[ . 1 . 2]" 1
1006 1 76 GLY HA2 1 77 ASN H . . 3.060 2.595 2.528 2.716 . 0 0 "[ . 1 . 2]" 1
1007 1 76 GLY HA2 1 78 TYR QE . . 4.900 4.661 4.311 4.904 0.004 7 0 "[ . 1 . 2]" 1
1008 1 76 GLY HA2 1 98 VAL HB . . 4.960 4.507 4.255 4.689 . 0 0 "[ . 1 . 2]" 1
1009 1 76 GLY HA3 1 77 ASN H . . 3.090 2.533 2.420 2.598 . 0 0 "[ . 1 . 2]" 1
1010 1 76 GLY HA3 1 78 TYR QE . . 4.450 3.443 2.939 3.769 . 0 0 "[ . 1 . 2]" 1
1011 1 76 GLY HA3 1 98 VAL H . . 5.500 4.895 4.749 5.111 . 0 0 "[ . 1 . 2]" 1
1012 1 76 GLY HA3 1 98 VAL HB . . 5.500 4.323 4.103 4.494 . 0 0 "[ . 1 . 2]" 1
1013 1 77 ASN H 1 77 ASN HB2 . . 3.730 3.314 2.417 3.690 . 0 0 "[ . 1 . 2]" 1
1014 1 77 ASN H 1 77 ASN QB . . 3.030 2.593 2.383 2.742 . 0 0 "[ . 1 . 2]" 1
1015 1 77 ASN H 1 77 ASN HB3 . . 3.730 2.992 2.656 3.653 . 0 0 "[ . 1 . 2]" 1
1016 1 77 ASN H 1 77 ASN HD21 . . 4.790 4.646 4.502 4.774 . 0 0 "[ . 1 . 2]" 1
1017 1 77 ASN H 1 77 ASN HD22 . . 4.790 4.595 4.459 4.789 . 0 0 "[ . 1 . 2]" 1
1018 1 77 ASN H 1 78 TYR H . . 4.490 4.190 4.121 4.330 . 0 0 "[ . 1 . 2]" 1
1019 1 77 ASN H 1 97 PRO HA . . 4.820 4.570 4.311 4.792 . 0 0 "[ . 1 . 2]" 1
1020 1 77 ASN HA 1 78 TYR H . . 2.930 2.193 2.151 2.208 . 0 0 "[ . 1 . 2]" 1
1021 1 77 ASN HA 1 78 TYR HB2 . . 4.630 4.512 4.444 4.558 . 0 0 "[ . 1 . 2]" 1
1022 1 77 ASN HA 1 78 TYR QD . . 4.470 3.701 3.470 3.832 . 0 0 "[ . 1 . 2]" 1
1023 1 77 ASN HA 1 95 LEU MD1 . . 4.040 3.668 3.221 3.975 . 0 0 "[ . 1 . 2]" 1
1024 1 77 ASN HA 1 96 VAL HB . . 5.500 5.251 4.914 5.504 0.004 12 0 "[ . 1 . 2]" 1
1025 1 77 ASN HA 1 97 PRO HA . . 3.520 2.242 2.019 2.390 . 0 0 "[ . 1 . 2]" 1
1026 1 77 ASN HA 1 97 PRO HB2 . . 5.500 4.882 4.610 5.027 . 0 0 "[ . 1 . 2]" 1
1027 1 77 ASN HA 1 97 PRO HB3 . . 5.020 4.163 3.803 4.350 . 0 0 "[ . 1 . 2]" 1
1028 1 77 ASN HA 1 98 VAL H . . 3.730 2.737 2.561 2.963 . 0 0 "[ . 1 . 2]" 1
1029 1 77 ASN HA 1 98 VAL HB . . 5.440 4.565 4.333 4.996 . 0 0 "[ . 1 . 2]" 1
1030 1 77 ASN QB 1 77 ASN QD . . 2.940 2.121 2.069 2.221 . 0 0 "[ . 1 . 2]" 1
1031 1 77 ASN QB 1 78 TYR H . . 3.810 3.655 3.494 3.707 . 0 0 "[ . 1 . 2]" 1
1032 1 77 ASN QB 1 95 LEU MD1 . . 3.230 2.104 1.843 2.268 . 0 0 "[ . 1 . 2]" 1
1033 1 77 ASN QB 1 95 LEU MD2 . . 3.790 3.269 3.147 3.398 . 0 0 "[ . 1 . 2]" 1
1034 1 77 ASN QB 1 95 LEU HG . . 4.280 3.198 2.906 3.606 . 0 0 "[ . 1 . 2]" 1
1035 1 77 ASN HB2 1 77 ASN HD22 . . 3.900 3.567 3.450 3.892 . 0 0 "[ . 1 . 2]" 1
1036 1 77 ASN HB2 1 78 TYR H . . 4.590 4.048 3.809 4.462 . 0 0 "[ . 1 . 2]" 1
1037 1 77 ASN HB2 1 95 LEU MD1 . . 3.800 2.474 2.093 3.143 . 0 0 "[ . 1 . 2]" 1
1038 1 77 ASN HB2 1 95 LEU MD2 . . 4.430 3.679 3.246 4.426 . 0 0 "[ . 1 . 2]" 1
1039 1 77 ASN HB3 1 77 ASN HD22 . . 3.900 3.705 3.439 3.842 . 0 0 "[ . 1 . 2]" 1
1040 1 77 ASN HB3 1 78 TYR H . . 4.590 4.314 3.688 4.547 . 0 0 "[ . 1 . 2]" 1
1041 1 77 ASN HB3 1 95 LEU MD1 . . 3.800 3.203 1.857 3.802 0.002 12 0 "[ . 1 . 2]" 1
1042 1 77 ASN HB3 1 95 LEU MD2 . . 4.430 4.052 3.351 4.430 . 0 0 "[ . 1 . 2]" 1
1043 1 77 ASN HD21 1 95 LEU MD1 . . 4.190 2.487 1.896 2.944 . 0 0 "[ . 1 . 2]" 1
1044 1 77 ASN HD21 1 95 LEU MD2 . . 4.630 3.010 2.635 3.202 . 0 0 "[ . 1 . 2]" 1
1045 1 77 ASN HD22 1 95 LEU MD1 . . 4.190 3.750 3.228 4.193 0.003 5 0 "[ . 1 . 2]" 1
1046 1 77 ASN HD22 1 95 LEU MD2 . . 4.630 4.362 3.723 4.629 . 0 0 "[ . 1 . 2]" 1
1047 1 78 TYR H 1 78 TYR HB2 . . 3.520 2.340 2.316 2.391 . 0 0 "[ . 1 . 2]" 1
1048 1 78 TYR H 1 78 TYR HB3 . . 4.190 3.592 3.578 3.627 . 0 0 "[ . 1 . 2]" 1
1049 1 78 TYR H 1 78 TYR QD . . 3.630 2.361 2.206 2.578 . 0 0 "[ . 1 . 2]" 1
1050 1 78 TYR H 1 95 LEU MD1 . . 4.460 3.940 3.430 4.254 . 0 0 "[ . 1 . 2]" 1
1051 1 78 TYR H 1 96 VAL H . . 3.970 3.775 3.446 3.935 . 0 0 "[ . 1 . 2]" 1
1052 1 78 TYR H 1 96 VAL HB . . 4.220 3.909 3.579 4.162 . 0 0 "[ . 1 . 2]" 1
1053 1 78 TYR H 1 97 PRO HA . . 3.840 3.708 3.424 3.839 . 0 0 "[ . 1 . 2]" 1
1054 1 78 TYR H 1 98 VAL MG2 . . 4.170 2.928 2.676 3.196 . 0 0 "[ . 1 . 2]" 1
1055 1 78 TYR HA 1 79 GLU H . . 3.110 2.144 2.138 2.171 . 0 0 "[ . 1 . 2]" 1
1056 1 78 TYR HB2 1 79 GLU H . . 4.630 4.376 4.209 4.476 . 0 0 "[ . 1 . 2]" 1
1057 1 78 TYR HB2 1 96 VAL H . . 4.570 4.182 4.007 4.347 . 0 0 "[ . 1 . 2]" 1
1058 1 78 TYR HB2 1 96 VAL HB . . 3.970 3.360 3.126 3.544 . 0 0 "[ . 1 . 2]" 1
1059 1 78 TYR HB2 1 98 VAL MG2 . . 3.970 2.682 2.438 2.907 . 0 0 "[ . 1 . 2]" 1
1060 1 78 TYR HB3 1 79 GLU H . . 3.790 3.468 3.164 3.670 . 0 0 "[ . 1 . 2]" 1
1061 1 78 TYR HB3 1 80 VAL MG2 . . 4.400 3.311 3.082 3.526 . 0 0 "[ . 1 . 2]" 1
1062 1 78 TYR HB3 1 96 VAL HB . . 4.780 4.633 4.350 4.785 0.005 16 0 "[ . 1 . 2]" 1
1063 1 78 TYR HB3 1 98 VAL MG2 . . 5.010 4.043 3.796 4.276 . 0 0 "[ . 1 . 2]" 1
1064 1 78 TYR QD 1 79 GLU H . . 4.470 4.346 4.118 4.472 0.002 4 0 "[ . 1 . 2]" 1
1065 1 78 TYR QD 1 98 VAL H . . 4.200 3.255 3.116 3.367 . 0 0 "[ . 1 . 2]" 1
1066 1 78 TYR QD 1 98 VAL HB . . 4.000 2.587 2.121 3.018 . 0 0 "[ . 1 . 2]" 1
1067 1 78 TYR QD 1 98 VAL MG2 . . 3.540 2.218 1.980 2.553 . 0 0 "[ . 1 . 2]" 1
1068 1 78 TYR QE 1 98 VAL H . . 4.810 4.774 4.659 4.812 0.002 9 0 "[ . 1 . 2]" 1
1069 1 78 TYR QE 1 98 VAL HB . . 3.570 2.887 2.592 3.196 . 0 0 "[ . 1 . 2]" 1
1070 1 78 TYR QE 1 98 VAL MG1 . . 3.990 3.397 2.793 3.924 . 0 0 "[ . 1 . 2]" 1
1071 1 78 TYR QE 1 98 VAL MG2 . . 3.810 3.420 3.189 3.638 . 0 0 "[ . 1 . 2]" 1
1072 1 79 GLU H 1 79 GLU HB2 . . 3.310 2.454 2.355 2.581 . 0 0 "[ . 1 . 2]" 1
1073 1 79 GLU H 1 79 GLU HB3 . . 3.390 2.836 2.811 2.870 . 0 0 "[ . 1 . 2]" 1
1074 1 79 GLU H 1 79 GLU HG2 . . 4.780 4.525 4.480 4.586 . 0 0 "[ . 1 . 2]" 1
1075 1 79 GLU H 1 79 GLU HG3 . . 4.570 4.402 4.313 4.506 . 0 0 "[ . 1 . 2]" 1
1076 1 79 GLU H 1 80 VAL H . . 4.680 4.269 4.115 4.407 . 0 0 "[ . 1 . 2]" 1
1077 1 79 GLU HA 1 79 GLU HG2 . . 3.970 2.518 2.442 2.663 . 0 0 "[ . 1 . 2]" 1
1078 1 79 GLU HA 1 79 GLU HG3 . . 4.060 2.684 2.529 2.788 . 0 0 "[ . 1 . 2]" 1
1079 1 79 GLU HA 1 80 VAL H . . 2.990 2.162 2.141 2.207 . 0 0 "[ . 1 . 2]" 1
1080 1 79 GLU HA 1 80 VAL HB . . 4.840 4.730 4.619 4.838 . 0 0 "[ . 1 . 2]" 1
1081 1 79 GLU HA 1 80 VAL MG2 . . 4.410 3.729 3.567 3.920 . 0 0 "[ . 1 . 2]" 1
1082 1 79 GLU HA 1 95 LEU HA . . 3.720 2.567 2.391 2.680 . 0 0 "[ . 1 . 2]" 1
1083 1 79 GLU HA 1 95 LEU MD1 . . 3.930 2.777 2.570 3.044 . 0 0 "[ . 1 . 2]" 1
1084 1 79 GLU HA 1 95 LEU MD2 . . 5.270 5.232 5.118 5.277 0.007 18 0 "[ . 1 . 2]" 1
1085 1 79 GLU HA 1 96 VAL H . . 3.950 3.430 3.178 3.586 . 0 0 "[ . 1 . 2]" 1
1086 1 79 GLU HB2 1 80 VAL H . . 4.670 4.564 4.507 4.622 . 0 0 "[ . 1 . 2]" 1
1087 1 79 GLU HB2 1 95 LEU MD1 . . 3.820 2.963 2.729 3.217 . 0 0 "[ . 1 . 2]" 1
1088 1 79 GLU HB3 1 80 VAL H . . 4.680 4.188 4.083 4.275 . 0 0 "[ . 1 . 2]" 1
1089 1 79 GLU HB3 1 95 LEU MD1 . . 4.520 4.226 3.984 4.512 . 0 0 "[ . 1 . 2]" 1
1090 1 79 GLU HG2 1 80 VAL H . . 4.730 3.343 3.061 3.598 . 0 0 "[ . 1 . 2]" 1
1091 1 79 GLU HG2 1 93 PRO HB2 . . 4.020 2.148 2.040 2.275 . 0 0 "[ . 1 . 2]" 1
1092 1 79 GLU HG2 1 93 PRO HB3 . . 4.110 3.652 3.532 3.812 . 0 0 "[ . 1 . 2]" 1
1093 1 79 GLU HG2 1 95 LEU HB2 . . 4.600 4.475 4.239 4.602 0.002 9 0 "[ . 1 . 2]" 1
1094 1 79 GLU HG2 1 95 LEU MD1 . . 4.390 3.680 3.417 3.961 . 0 0 "[ . 1 . 2]" 1
1095 1 79 GLU HG3 1 80 VAL H . . 4.730 4.345 4.155 4.599 . 0 0 "[ . 1 . 2]" 1
1096 1 79 GLU HG3 1 93 PRO HB2 . . 3.960 3.634 3.515 3.809 . 0 0 "[ . 1 . 2]" 1
1097 1 79 GLU HG3 1 95 LEU HB2 . . 4.080 3.450 3.215 3.726 . 0 0 "[ . 1 . 2]" 1
1098 1 79 GLU HG3 1 95 LEU MD1 . . 3.950 2.391 2.085 2.793 . 0 0 "[ . 1 . 2]" 1
1099 1 79 GLU HG3 1 95 LEU MD2 . . 4.200 4.136 4.038 4.202 0.002 14 0 "[ . 1 . 2]" 1
1100 1 80 VAL H 1 80 VAL HB . . 3.550 2.584 2.484 2.676 . 0 0 "[ . 1 . 2]" 1
1101 1 80 VAL H 1 80 VAL MG1 . . 4.460 3.799 3.777 3.823 . 0 0 "[ . 1 . 2]" 1
1102 1 80 VAL H 1 80 VAL MG2 . . 3.620 2.328 2.121 2.576 . 0 0 "[ . 1 . 2]" 1
1103 1 80 VAL H 1 94 TYR H . . 4.060 3.300 2.980 3.567 . 0 0 "[ . 1 . 2]" 1
1104 1 80 VAL H 1 94 TYR QB . . 4.020 3.282 3.104 3.502 . 0 0 "[ . 1 . 2]" 1
1105 1 80 VAL H 1 94 TYR QD . . 5.030 4.896 4.715 5.009 . 0 0 "[ . 1 . 2]" 1
1106 1 80 VAL H 1 95 LEU HA . . 4.230 3.632 3.548 3.737 . 0 0 "[ . 1 . 2]" 1
1107 1 80 VAL HA 1 80 VAL MG1 . . 3.440 2.317 2.217 2.431 . 0 0 "[ . 1 . 2]" 1
1108 1 80 VAL HA 1 80 VAL MG2 . . 3.440 2.420 2.280 2.501 . 0 0 "[ . 1 . 2]" 1
1109 1 80 VAL HA 1 81 SER H . . 3.000 2.157 2.140 2.298 . 0 0 "[ . 1 . 2]" 1
1110 1 80 VAL HA 1 81 SER HA . . 4.530 4.405 4.383 4.421 . 0 0 "[ . 1 . 2]" 1
1111 1 80 VAL HB 1 81 SER H . . 4.820 4.249 3.616 4.341 . 0 0 "[ . 1 . 2]" 1
1112 1 80 VAL HB 1 82 ILE HG13 . . 3.900 3.826 3.702 3.900 0.000 14 0 "[ . 1 . 2]" 1
1113 1 80 VAL HB 1 94 TYR H . . 4.110 3.345 2.856 3.662 . 0 0 "[ . 1 . 2]" 1
1114 1 80 VAL HB 1 94 TYR QB . . 3.500 2.396 2.164 2.711 . 0 0 "[ . 1 . 2]" 1
1115 1 80 VAL HB 1 94 TYR QD . . 3.950 3.696 3.202 3.879 . 0 0 "[ . 1 . 2]" 1
1116 1 80 VAL HB 1 96 VAL MG2 . . 4.390 3.757 3.454 4.228 . 0 0 "[ . 1 . 2]" 1
1117 1 80 VAL MG1 1 81 SER H . . 3.620 2.837 2.043 3.080 . 0 0 "[ . 1 . 2]" 1
1118 1 80 VAL MG1 1 82 ILE HG12 . . 3.790 2.966 2.553 3.408 . 0 0 "[ . 1 . 2]" 1
1119 1 80 VAL MG1 1 82 ILE HG13 . . 3.620 2.536 2.174 3.109 . 0 0 "[ . 1 . 2]" 1
1120 1 80 VAL MG1 1 94 TYR QB . . 4.040 3.709 3.529 3.998 . 0 0 "[ . 1 . 2]" 1
1121 1 80 VAL MG1 1 94 TYR QD . . 4.170 3.942 3.334 4.136 . 0 0 "[ . 1 . 2]" 1
1122 1 80 VAL MG2 1 81 SER H . . 4.470 4.176 3.986 4.269 . 0 0 "[ . 1 . 2]" 1
1123 1 80 VAL MG2 1 94 TYR QB . . 3.850 3.409 2.848 3.644 . 0 0 "[ . 1 . 2]" 1
1124 1 81 SER H 1 81 SER HB2 . . 3.990 2.854 2.285 3.821 . 0 0 "[ . 1 . 2]" 1
1125 1 81 SER H 1 81 SER QB . . 3.390 2.472 2.259 2.937 . 0 0 "[ . 1 . 2]" 1
1126 1 81 SER H 1 81 SER HB3 . . 3.990 3.008 2.459 3.651 . 0 0 "[ . 1 . 2]" 1
1127 1 81 SER HA 1 82 ILE H . . 3.160 2.143 2.137 2.179 . 0 0 "[ . 1 . 2]" 1
1128 1 81 SER HA 1 92 SER HB2 . . 4.850 3.449 3.173 4.119 . 0 0 "[ . 1 . 2]" 1
1129 1 81 SER HA 1 93 PRO HA . . 3.980 2.453 2.264 2.722 . 0 0 "[ . 1 . 2]" 1
1130 1 81 SER HA 1 93 PRO HB2 . . 4.660 3.232 3.077 3.561 . 0 0 "[ . 1 . 2]" 1
1131 1 81 SER HA 1 93 PRO HB3 . . 4.540 2.111 1.996 2.416 . 0 0 "[ . 1 . 2]" 1
1132 1 81 SER HA 1 94 TYR H . . 4.470 3.432 3.138 3.834 . 0 0 "[ . 1 . 2]" 1
1133 1 81 SER QB 1 88 HIS HE1 . . 3.700 3.134 2.505 3.700 . 0 0 "[ . 1 . 2]" 1
1134 1 81 SER QB 1 93 PRO HB2 . . 4.980 4.219 3.767 4.679 . 0 0 "[ . 1 . 2]" 1
1135 1 81 SER QB 1 93 PRO HB3 . . 4.050 2.992 2.588 3.345 . 0 0 "[ . 1 . 2]" 1
1136 1 81 SER HB2 1 82 ILE H . . 4.630 4.136 3.410 4.489 . 0 0 "[ . 1 . 2]" 1
1137 1 81 SER HB2 1 88 HIS HE1 . . 4.550 3.867 2.699 4.528 . 0 0 "[ . 1 . 2]" 1
1138 1 81 SER HB2 1 93 PRO HB3 . . 4.650 3.542 2.617 4.399 . 0 0 "[ . 1 . 2]" 1
1139 1 81 SER HB3 1 82 ILE H . . 4.630 4.002 3.341 4.425 . 0 0 "[ . 1 . 2]" 1
1140 1 81 SER HB3 1 88 HIS HE1 . . 4.550 3.687 2.525 4.518 . 0 0 "[ . 1 . 2]" 1
1141 1 81 SER HB3 1 93 PRO HB3 . . 4.650 3.665 2.939 4.456 . 0 0 "[ . 1 . 2]" 1
1142 1 82 ILE H 1 82 ILE HB . . 3.990 2.593 2.502 2.694 . 0 0 "[ . 1 . 2]" 1
1143 1 82 ILE H 1 82 ILE MD . . 4.550 4.003 3.807 4.250 . 0 0 "[ . 1 . 2]" 1
1144 1 82 ILE H 1 82 ILE HG12 . . 4.150 3.911 3.682 4.103 . 0 0 "[ . 1 . 2]" 1
1145 1 82 ILE H 1 82 ILE HG13 . . 4.230 2.799 2.652 2.952 . 0 0 "[ . 1 . 2]" 1
1146 1 82 ILE H 1 82 ILE MG . . 4.220 3.825 3.775 3.869 . 0 0 "[ . 1 . 2]" 1
1147 1 82 ILE H 1 88 HIS HE1 . . 4.700 4.422 3.923 4.664 . 0 0 "[ . 1 . 2]" 1
1148 1 82 ILE H 1 89 ILE QG . . 4.660 4.515 4.407 4.659 . 0 0 "[ . 1 . 2]" 1
1149 1 82 ILE H 1 92 SER HB2 . . 4.010 2.066 1.901 2.759 . 0 0 "[ . 1 . 2]" 1
1150 1 82 ILE H 1 92 SER HB3 . . 4.080 3.458 3.240 3.836 . 0 0 "[ . 1 . 2]" 1
1151 1 82 ILE H 1 92 SER HG . . 3.500 2.655 2.203 2.959 . 0 0 "[ . 1 . 2]" 1
1152 1 82 ILE H 1 93 PRO HA . . 4.370 2.609 2.492 2.882 . 0 0 "[ . 1 . 2]" 1
1153 1 82 ILE H 1 93 PRO HB3 . . 5.010 3.694 3.430 4.020 . 0 0 "[ . 1 . 2]" 1
1154 1 82 ILE HA 1 82 ILE MD . . 4.330 3.811 3.735 3.865 . 0 0 "[ . 1 . 2]" 1
1155 1 82 ILE HA 1 82 ILE HG13 . . 4.220 3.009 2.821 3.221 . 0 0 "[ . 1 . 2]" 1
1156 1 82 ILE HA 1 82 ILE MG . . 3.260 2.398 2.301 2.470 . 0 0 "[ . 1 . 2]" 1
1157 1 82 ILE HA 1 83 LYS H . . 3.030 2.171 2.138 2.273 . 0 0 "[ . 1 . 2]" 1
1158 1 82 ILE HB 1 82 ILE MD . . 3.490 2.402 2.236 2.538 . 0 0 "[ . 1 . 2]" 1
1159 1 82 ILE HB 1 83 LYS H . . 4.750 4.131 3.838 4.344 . 0 0 "[ . 1 . 2]" 1
1160 1 82 ILE HB 1 89 ILE H . . 5.110 4.973 4.603 5.112 0.002 15 0 "[ . 1 . 2]" 1
1161 1 82 ILE HB 1 89 ILE MD . . 3.430 2.626 2.469 2.793 . 0 0 "[ . 1 . 2]" 1
1162 1 82 ILE HB 1 89 ILE QG . . 3.820 3.330 3.193 3.491 . 0 0 "[ . 1 . 2]" 1
1163 1 82 ILE HB 1 92 SER HB2 . . 4.770 2.461 2.114 2.774 . 0 0 "[ . 1 . 2]" 1
1164 1 82 ILE HB 1 92 SER HB3 . . 4.630 2.494 2.330 2.801 . 0 0 "[ . 1 . 2]" 1
1165 1 82 ILE MD 1 82 ILE MG . . 2.960 1.999 1.883 2.205 . 0 0 "[ . 1 . 2]" 1
1166 1 82 ILE MD 1 94 TYR QD . . 3.940 2.714 2.362 3.022 . 0 0 "[ . 1 . 2]" 1
1167 1 82 ILE MD 1 94 TYR QE . . 3.490 2.268 1.971 2.581 . 0 0 "[ . 1 . 2]" 1
1168 1 82 ILE HG13 1 82 ILE MG . . 3.270 3.191 3.180 3.201 . 0 0 "[ . 1 . 2]" 1
1169 1 82 ILE HG13 1 83 LYS H . . 5.250 5.013 4.804 5.172 . 0 0 "[ . 1 . 2]" 1
1170 1 82 ILE HG13 1 94 TYR QD . . 4.740 2.869 2.350 3.183 . 0 0 "[ . 1 . 2]" 1
1171 1 82 ILE HG13 1 94 TYR QE . . 4.510 3.485 2.868 3.780 . 0 0 "[ . 1 . 2]" 1
1172 1 82 ILE MG 1 83 LYS H . . 3.360 2.373 1.951 2.854 . 0 0 "[ . 1 . 2]" 1
1173 1 82 ILE MG 1 83 LYS HA . . 3.650 3.488 3.222 3.634 . 0 0 "[ . 1 . 2]" 1
1174 1 82 ILE MG 1 84 PHE H . . 4.070 3.949 3.720 4.068 . 0 0 "[ . 1 . 2]" 1
1175 1 82 ILE MG 1 89 ILE QG . . 3.370 3.051 2.727 3.312 . 0 0 "[ . 1 . 2]" 1
1176 1 82 ILE MG 1 92 SER HB3 . . 4.830 3.658 3.500 4.009 . 0 0 "[ . 1 . 2]" 1
1177 1 83 LYS H 1 83 LYS HB2 . . 3.710 2.551 2.417 2.728 . 0 0 "[ . 1 . 2]" 1
1178 1 83 LYS H 1 83 LYS HB3 . . 3.750 3.653 3.588 3.738 . 0 0 "[ . 1 . 2]" 1
1179 1 83 LYS H 1 83 LYS HG2 . . 4.520 4.178 4.095 4.291 . 0 0 "[ . 1 . 2]" 1
1180 1 83 LYS HA 1 83 LYS HD2 . . 3.960 3.949 3.929 3.962 0.002 4 0 "[ . 1 . 2]" 1
1181 1 83 LYS HA 1 83 LYS HD3 . . 5.040 4.395 4.306 4.497 . 0 0 "[ . 1 . 2]" 1
1182 1 83 LYS HA 1 83 LYS HG2 . . 4.130 2.183 2.167 2.210 . 0 0 "[ . 1 . 2]" 1
1183 1 83 LYS HA 1 84 PHE H . . 3.060 2.146 2.140 2.164 . 0 0 "[ . 1 . 2]" 1
1184 1 83 LYS HA 1 87 GLU H . . 4.180 3.684 3.504 3.878 . 0 0 "[ . 1 . 2]" 1
1185 1 83 LYS HA 1 88 HIS H . . 4.960 4.865 4.770 4.954 . 0 0 "[ . 1 . 2]" 1
1186 1 83 LYS HA 1 88 HIS HA . . 3.970 2.863 2.773 2.942 . 0 0 "[ . 1 . 2]" 1
1187 1 83 LYS HA 1 89 ILE H . . 3.910 3.423 3.287 3.732 . 0 0 "[ . 1 . 2]" 1
1188 1 83 LYS HA 1 89 ILE MG . . 4.610 4.366 4.143 4.576 . 0 0 "[ . 1 . 2]" 1
1189 1 83 LYS HB2 1 83 LYS HD2 . . 4.140 3.191 3.085 3.322 . 0 0 "[ . 1 . 2]" 1
1190 1 83 LYS HB2 1 83 LYS HD3 . . 3.960 3.934 3.888 3.959 . 0 0 "[ . 1 . 2]" 1
1191 1 83 LYS HB2 1 86 ASP H . . 4.750 4.583 4.334 4.762 0.012 18 0 "[ . 1 . 2]" 1
1192 1 83 LYS HB2 1 86 ASP HA . . 4.540 4.402 4.141 4.549 0.009 15 0 "[ . 1 . 2]" 1
1193 1 83 LYS HB2 1 87 GLU H . . 4.860 4.507 4.278 4.644 . 0 0 "[ . 1 . 2]" 1
1194 1 83 LYS HB3 1 84 PHE H . . 3.950 3.456 3.286 3.608 . 0 0 "[ . 1 . 2]" 1
1195 1 83 LYS HB3 1 85 ASN H . . 5.400 4.808 4.164 5.393 . 0 0 "[ . 1 . 2]" 1
1196 1 83 LYS HB3 1 86 ASP H . . 4.160 3.196 3.031 3.409 . 0 0 "[ . 1 . 2]" 1
1197 1 83 LYS HB3 1 86 ASP HA . . 3.930 2.996 2.841 3.160 . 0 0 "[ . 1 . 2]" 1
1198 1 83 LYS HB3 1 87 GLU H . . 3.620 2.782 2.540 2.946 . 0 0 "[ . 1 . 2]" 1
1199 1 83 LYS HD2 1 86 ASP H . . 5.060 4.204 3.955 4.551 . 0 0 "[ . 1 . 2]" 1
1200 1 83 LYS HD2 1 86 ASP HA . . 3.860 2.693 2.471 2.964 . 0 0 "[ . 1 . 2]" 1
1201 1 83 LYS HD2 1 86 ASP QB . . 5.210 4.314 4.024 4.843 . 0 0 "[ . 1 . 2]" 1
1202 1 83 LYS HD2 1 88 HIS H . . 4.780 4.575 4.254 4.769 . 0 0 "[ . 1 . 2]" 1
1203 1 83 LYS HD3 1 86 ASP HA . . 4.690 4.375 4.123 4.689 . 0 0 "[ . 1 . 2]" 1
1204 1 83 LYS HD3 1 88 HIS H . . 4.970 4.284 3.927 4.755 . 0 0 "[ . 1 . 2]" 1
1205 1 83 LYS QE 1 83 LYS HG2 . . 3.700 3.388 3.235 3.510 . 0 0 "[ . 1 . 2]" 1
1206 1 83 LYS HG2 1 84 PHE H . . 4.380 3.904 3.793 4.027 . 0 0 "[ . 1 . 2]" 1
1207 1 83 LYS HG2 1 88 HIS H . . 4.530 3.975 3.791 4.173 . 0 0 "[ . 1 . 2]" 1
1208 1 83 LYS HG2 1 88 HIS HA . . 4.210 2.515 2.304 2.712 . 0 0 "[ . 1 . 2]" 1
1209 1 83 LYS HG2 1 89 ILE H . . 4.480 4.263 4.020 4.477 . 0 0 "[ . 1 . 2]" 1
1210 1 83 LYS HG3 1 88 HIS HA . . 4.570 4.040 3.806 4.219 . 0 0 "[ . 1 . 2]" 1
1211 1 84 PHE H 1 84 PHE HB2 . . 3.960 2.945 2.715 3.139 . 0 0 "[ . 1 . 2]" 1
1212 1 84 PHE H 1 84 PHE QB . . 3.410 2.341 2.293 2.384 . 0 0 "[ . 1 . 2]" 1
1213 1 84 PHE H 1 84 PHE HB3 . . 3.960 2.466 2.374 2.605 . 0 0 "[ . 1 . 2]" 1
1214 1 84 PHE H 1 84 PHE QD . . 4.550 4.159 3.991 4.260 . 0 0 "[ . 1 . 2]" 1
1215 1 84 PHE H 1 86 ASP H . . 4.590 4.351 4.205 4.588 . 0 0 "[ . 1 . 2]" 1
1216 1 84 PHE H 1 87 GLU H . . 3.390 2.932 2.834 3.072 . 0 0 "[ . 1 . 2]" 1
1217 1 84 PHE H 1 88 HIS HA . . 4.070 3.865 3.631 4.018 . 0 0 "[ . 1 . 2]" 1
1218 1 84 PHE H 1 89 ILE H . . 4.750 3.637 3.235 4.327 . 0 0 "[ . 1 . 2]" 1
1219 1 84 PHE H 1 89 ILE QG . . 4.060 3.670 3.359 4.061 0.001 9 0 "[ . 1 . 2]" 1
1220 1 84 PHE H 1 89 ILE MG . . 4.190 3.345 3.058 3.783 . 0 0 "[ . 1 . 2]" 1
1221 1 84 PHE HA 1 84 PHE QD . . 4.050 2.729 2.320 3.126 . 0 0 "[ . 1 . 2]" 1
1222 1 84 PHE HA 1 85 ASN H . . 3.180 2.161 2.140 2.239 . 0 0 "[ . 1 . 2]" 1
1223 1 84 PHE HA 1 85 ASN HA . . 4.480 4.369 4.358 4.400 . 0 0 "[ . 1 . 2]" 1
1224 1 84 PHE QB 1 89 ILE MG . . 3.460 2.512 2.302 2.880 . 0 0 "[ . 1 . 2]" 1
1225 1 84 PHE HB2 1 89 ILE MG . . 3.960 3.089 2.727 3.459 . 0 0 "[ . 1 . 2]" 1
1226 1 84 PHE HB3 1 89 ILE MG . . 3.960 2.674 2.384 3.148 . 0 0 "[ . 1 . 2]" 1
1227 1 84 PHE QD 1 85 ASN H . . 4.630 3.741 3.073 4.078 . 0 0 "[ . 1 . 2]" 1
1228 1 84 PHE QE 1 85 ASN HD21 . . 4.350 3.244 2.090 4.342 . 0 0 "[ . 1 . 2]" 1
1229 1 84 PHE QE 1 85 ASN QD . . 3.820 2.814 2.063 3.648 . 0 0 "[ . 1 . 2]" 1
1230 1 84 PHE QE 1 85 ASN HD22 . . 4.350 3.327 2.531 3.922 . 0 0 "[ . 1 . 2]" 1
1231 1 85 ASN H 1 86 ASP H . . 3.770 2.702 2.593 2.898 . 0 0 "[ . 1 . 2]" 1
1232 1 85 ASN HA 1 86 ASP H . . 3.450 2.814 2.671 2.882 . 0 0 "[ . 1 . 2]" 1
1233 1 85 ASN HA 1 86 ASP HA . . 4.850 4.762 4.687 4.797 . 0 0 "[ . 1 . 2]" 1
1234 1 85 ASN QB 1 85 ASN QD . . 2.910 2.138 2.065 2.221 . 0 0 "[ . 1 . 2]" 1
1235 1 85 ASN QB 1 86 ASP H . . 4.340 3.893 3.807 4.050 . 0 0 "[ . 1 . 2]" 1
1236 1 85 ASN HB2 1 85 ASN HD22 . . 3.950 3.739 3.484 3.960 0.010 12 0 "[ . 1 . 2]" 1
1237 1 85 ASN HB2 1 86 ASP H . . 4.990 4.289 4.154 4.495 . 0 0 "[ . 1 . 2]" 1
1238 1 85 ASN HB3 1 85 ASN HD22 . . 3.950 3.533 3.436 3.767 . 0 0 "[ . 1 . 2]" 1
1239 1 85 ASN HB3 1 86 ASP H . . 4.990 4.468 4.330 4.613 . 0 0 "[ . 1 . 2]" 1
1240 1 86 ASP H 1 86 ASP HB2 . . 4.110 3.559 3.089 3.818 . 0 0 "[ . 1 . 2]" 1
1241 1 86 ASP H 1 86 ASP HB3 . . 4.110 3.986 3.746 4.107 . 0 0 "[ . 1 . 2]" 1
1242 1 86 ASP H 1 87 GLU H . . 3.380 2.564 2.489 2.659 . 0 0 "[ . 1 . 2]" 1
1243 1 86 ASP QB 1 87 GLU H . . 4.160 3.859 3.808 3.913 . 0 0 "[ . 1 . 2]" 1
1244 1 86 ASP HB2 1 87 GLU H . . 4.780 4.286 4.141 4.589 . 0 0 "[ . 1 . 2]" 1
1245 1 86 ASP HB3 1 87 GLU H . . 4.780 4.420 4.118 4.553 . 0 0 "[ . 1 . 2]" 1
1246 1 87 GLU H 1 87 GLU HB2 . . 3.300 2.669 2.592 2.717 . 0 0 "[ . 1 . 2]" 1
1247 1 87 GLU H 1 87 GLU HB3 . . 3.710 3.702 3.663 3.731 0.021 18 0 "[ . 1 . 2]" 1
1248 1 87 GLU H 1 87 GLU HG2 . . 4.660 4.482 4.368 4.626 . 0 0 "[ . 1 . 2]" 1
1249 1 87 GLU H 1 87 GLU HG3 . . 3.860 3.767 3.663 3.829 . 0 0 "[ . 1 . 2]" 1
1250 1 87 GLU H 1 88 HIS H . . 4.390 4.322 4.271 4.385 . 0 0 "[ . 1 . 2]" 1
1251 1 87 GLU HA 1 87 GLU HG2 . . 3.770 2.351 2.282 2.532 . 0 0 "[ . 1 . 2]" 1
1252 1 87 GLU HA 1 87 GLU HG3 . . 4.130 2.848 2.633 2.949 . 0 0 "[ . 1 . 2]" 1
1253 1 87 GLU HA 1 88 HIS HD2 . . 4.390 4.299 4.162 4.393 0.003 18 0 "[ . 1 . 2]" 1
1254 1 87 GLU HB2 1 88 HIS H . . 4.300 4.249 4.168 4.310 0.010 1 0 "[ . 1 . 2]" 1
1255 1 87 GLU HB3 1 88 HIS H . . 3.760 3.104 2.957 3.209 . 0 0 "[ . 1 . 2]" 1
1256 1 87 GLU HG2 1 88 HIS H . . 4.260 3.651 3.545 3.774 . 0 0 "[ . 1 . 2]" 1
1257 1 87 GLU HG3 1 88 HIS H . . 5.010 4.740 4.575 4.831 . 0 0 "[ . 1 . 2]" 1
1258 1 88 HIS H 1 88 HIS HB2 . . 3.510 2.200 2.174 2.235 . 0 0 "[ . 1 . 2]" 1
1259 1 88 HIS H 1 88 HIS QB . . 2.970 2.177 2.152 2.210 . 0 0 "[ . 1 . 2]" 1
1260 1 88 HIS H 1 88 HIS HB3 . . 3.510 3.475 3.451 3.495 . 0 0 "[ . 1 . 2]" 1
1261 1 88 HIS H 1 88 HIS HD2 . . 3.530 3.393 3.265 3.489 . 0 0 "[ . 1 . 2]" 1
1262 1 88 HIS H 1 89 ILE H . . 4.680 4.285 3.987 4.519 . 0 0 "[ . 1 . 2]" 1
1263 1 88 HIS HA 1 89 ILE H . . 3.120 2.180 2.139 2.288 . 0 0 "[ . 1 . 2]" 1
1264 1 88 HIS HA 1 89 ILE QG . . 4.770 3.442 3.328 3.520 . 0 0 "[ . 1 . 2]" 1
1265 1 88 HIS HA 1 89 ILE MG . . 4.450 4.334 4.132 4.476 0.026 4 0 "[ . 1 . 2]" 1
1266 1 88 HIS QB 1 88 HIS HD2 . . 3.490 2.759 2.734 2.774 . 0 0 "[ . 1 . 2]" 1
1267 1 88 HIS QB 1 89 ILE H . . 3.960 3.601 3.239 3.845 . 0 0 "[ . 1 . 2]" 1
1268 1 88 HIS HB2 1 89 ILE H . . 4.840 4.548 4.379 4.621 . 0 0 "[ . 1 . 2]" 1
1269 1 88 HIS HB3 1 89 ILE H . . 4.840 3.781 3.337 4.113 . 0 0 "[ . 1 . 2]" 1
1270 1 88 HIS HE1 1 92 SER HG . . 4.250 3.737 3.485 4.026 . 0 0 "[ . 1 . 2]" 1
1271 1 88 HIS HE1 1 93 PRO HB2 . . 5.500 5.511 5.502 5.526 0.026 18 0 "[ . 1 . 2]" 1
1272 1 88 HIS HE1 1 93 PRO HB3 . . 4.410 3.782 3.756 3.807 . 0 0 "[ . 1 . 2]" 1
1273 1 88 HIS HE1 1 93 PRO QD . . 4.490 3.322 3.140 3.577 . 0 0 "[ . 1 . 2]" 1
1274 1 88 HIS HE1 1 93 PRO QG . . 4.490 4.215 4.078 4.385 . 0 0 "[ . 1 . 2]" 1
1275 1 89 ILE H 1 89 ILE MD . . 3.550 3.522 3.381 3.583 0.033 19 0 "[ . 1 . 2]" 1
1276 1 89 ILE H 1 89 ILE QG . . 3.470 1.849 1.803 1.999 . 0 0 "[ . 1 . 2]" 1
1277 1 89 ILE H 1 89 ILE MG . . 3.260 2.690 2.204 3.049 . 0 0 "[ . 1 . 2]" 1
1278 1 89 ILE H 1 92 SER H . . 4.700 4.245 3.990 4.655 . 0 0 "[ . 1 . 2]" 1
1279 1 89 ILE H 1 92 SER HB3 . . 4.090 3.847 3.630 4.117 0.027 14 0 "[ . 1 . 2]" 1
1280 1 89 ILE H 1 92 SER HG . . 4.530 3.684 3.386 4.228 . 0 0 "[ . 1 . 2]" 1
1281 1 89 ILE HA 1 89 ILE MG . . 3.340 2.152 2.002 2.313 . 0 0 "[ . 1 . 2]" 1
1282 1 89 ILE HA 1 90 PRO HA . . 4.580 4.389 4.388 4.390 . 0 0 "[ . 1 . 2]" 1
1283 1 89 ILE HA 1 90 PRO HD2 . . 3.710 2.469 2.424 2.499 . 0 0 "[ . 1 . 2]" 1
1284 1 89 ILE HA 1 90 PRO HD3 . . 3.620 2.329 2.309 2.343 . 0 0 "[ . 1 . 2]" 1
1285 1 89 ILE HB 1 89 ILE MD . . 3.450 2.327 2.171 2.503 . 0 0 "[ . 1 . 2]" 1
1286 1 89 ILE HB 1 90 PRO HA . . 5.040 4.702 4.660 4.791 . 0 0 "[ . 1 . 2]" 1
1287 1 89 ILE HB 1 90 PRO HD2 . . 3.790 1.980 1.947 2.007 . 0 0 "[ . 1 . 2]" 1
1288 1 89 ILE HB 1 90 PRO HD3 . . 3.530 3.429 3.405 3.449 . 0 0 "[ . 1 . 2]" 1
1289 1 89 ILE HB 1 90 PRO HG2 . . 4.300 3.656 3.635 3.688 . 0 0 "[ . 1 . 2]" 1
1290 1 89 ILE MD 1 90 PRO HD2 . . 4.470 3.922 3.812 4.114 . 0 0 "[ . 1 . 2]" 1
1291 1 89 ILE MD 1 91 GLU H . . 5.090 3.111 2.742 3.621 . 0 0 "[ . 1 . 2]" 1
1292 1 89 ILE MD 1 92 SER H . . 4.280 3.262 2.980 3.698 . 0 0 "[ . 1 . 2]" 1
1293 1 89 ILE MD 1 92 SER HA . . 4.920 4.035 3.748 4.407 . 0 0 "[ . 1 . 2]" 1
1294 1 89 ILE MD 1 92 SER HB2 . . 5.060 3.520 3.076 3.736 . 0 0 "[ . 1 . 2]" 1
1295 1 89 ILE MD 1 92 SER HB3 . . 3.910 2.196 1.960 2.811 . 0 0 "[ . 1 . 2]" 1
1296 1 89 ILE MD 1 94 TYR QE . . 3.620 2.209 2.014 2.453 . 0 0 "[ . 1 . 2]" 1
1297 1 89 ILE QG 1 91 GLU H . . 4.850 2.833 2.285 3.116 . 0 0 "[ . 1 . 2]" 1
1298 1 89 ILE QG 1 92 SER H . . 3.720 2.452 1.887 3.087 . 0 0 "[ . 1 . 2]" 1
1299 1 89 ILE QG 1 92 SER HB2 . . 4.430 3.378 3.046 3.481 . 0 0 "[ . 1 . 2]" 1
1300 1 89 ILE QG 1 92 SER HB3 . . 4.080 1.961 1.856 2.022 . 0 0 "[ . 1 . 2]" 1
1301 1 89 ILE QG 1 94 TYR QE . . 4.270 3.417 3.193 3.706 . 0 0 "[ . 1 . 2]" 1
1302 1 89 ILE MG 1 90 PRO HD2 . . 4.190 2.492 2.251 2.826 . 0 0 "[ . 1 . 2]" 1
1303 1 89 ILE MG 1 90 PRO HD3 . . 3.930 3.275 3.084 3.604 . 0 0 "[ . 1 . 2]" 1
1304 1 89 ILE MG 1 92 SER HB3 . . 4.760 4.530 4.276 4.681 . 0 0 "[ . 1 . 2]" 1
1305 1 90 PRO HA 1 91 GLU H . . 3.480 3.289 3.265 3.331 . 0 0 "[ . 1 . 2]" 1
1306 1 90 PRO HA 1 91 GLU HA . . 4.920 4.534 4.515 4.548 . 0 0 "[ . 1 . 2]" 1
1307 1 90 PRO HA 1 92 SER H . . 4.040 3.909 3.749 4.048 0.008 11 0 "[ . 1 . 2]" 1
1308 1 90 PRO HB2 1 91 GLU H . . 4.150 3.981 3.912 4.018 . 0 0 "[ . 1 . 2]" 1
1309 1 90 PRO HB2 1 91 GLU HA . . 5.030 4.438 4.413 4.471 . 0 0 "[ . 1 . 2]" 1
1310 1 90 PRO HB3 1 91 GLU H . . 4.600 4.513 4.476 4.533 . 0 0 "[ . 1 . 2]" 1
1311 1 90 PRO HG2 1 91 GLU H . . 4.090 3.378 3.246 3.453 . 0 0 "[ . 1 . 2]" 1
1312 1 91 GLU H 1 91 GLU HB2 . . 4.140 2.586 2.425 3.582 . 0 0 "[ . 1 . 2]" 1
1313 1 91 GLU H 1 91 GLU HB3 . . 4.140 3.694 3.396 3.774 . 0 0 "[ . 1 . 2]" 1
1314 1 91 GLU H 1 91 GLU HG2 . . 4.360 3.323 2.114 4.364 0.004 11 0 "[ . 1 . 2]" 1
1315 1 91 GLU H 1 91 GLU QG . . 3.760 2.956 1.991 3.750 . 0 0 "[ . 1 . 2]" 1
1316 1 91 GLU H 1 91 GLU HG3 . . 4.360 3.687 2.431 4.196 . 0 0 "[ . 1 . 2]" 1
1317 1 91 GLU H 1 92 SER H . . 3.580 2.020 1.925 2.187 . 0 0 "[ . 1 . 2]" 1
1318 1 91 GLU HA 1 91 GLU HG2 . . 3.870 2.883 2.222 3.658 . 0 0 "[ . 1 . 2]" 1
1319 1 91 GLU HA 1 91 GLU HG3 . . 3.870 3.428 2.355 3.827 . 0 0 "[ . 1 . 2]" 1
1320 1 91 GLU HA 1 92 SER H . . 3.360 3.296 3.129 3.377 0.017 11 0 "[ . 1 . 2]" 1
1321 1 91 GLU QB 1 92 SER H . . 3.950 3.330 3.141 3.701 . 0 0 "[ . 1 . 2]" 1
1322 1 91 GLU QB 1 94 TYR QE . . 3.700 2.571 2.095 3.139 . 0 0 "[ . 1 . 2]" 1
1323 1 91 GLU HB2 1 92 SER H . . 4.510 3.495 3.266 3.949 . 0 0 "[ . 1 . 2]" 1
1324 1 91 GLU HB2 1 94 TYR QE . . 4.220 3.425 2.253 3.791 . 0 0 "[ . 1 . 2]" 1
1325 1 91 GLU HB3 1 92 SER H . . 4.510 4.196 3.961 4.468 . 0 0 "[ . 1 . 2]" 1
1326 1 91 GLU HB3 1 94 TYR QE . . 4.220 2.728 2.113 3.619 . 0 0 "[ . 1 . 2]" 1
1327 1 92 SER H 1 92 SER HB2 . . 4.180 3.785 3.505 3.884 . 0 0 "[ . 1 . 2]" 1
1328 1 92 SER H 1 92 SER HB3 . . 3.350 2.726 2.490 2.895 . 0 0 "[ . 1 . 2]" 1
1329 1 92 SER H 1 92 SER HG . . 4.120 3.943 3.641 4.066 . 0 0 "[ . 1 . 2]" 1
1330 1 92 SER H 1 93 PRO HA . . 4.890 4.772 4.761 4.778 . 0 0 "[ . 1 . 2]" 1
1331 1 92 SER H 1 94 TYR QE . . 4.410 4.066 3.776 4.290 . 0 0 "[ . 1 . 2]" 1
1332 1 92 SER HA 1 94 TYR H . . 3.950 3.420 3.218 3.626 . 0 0 "[ . 1 . 2]" 1
1333 1 92 SER HA 1 94 TYR QD . . 4.440 2.774 2.525 3.053 . 0 0 "[ . 1 . 2]" 1
1334 1 92 SER HB2 1 93 PRO HA . . 4.050 2.009 1.942 2.748 . 0 0 "[ . 1 . 2]" 1
1335 1 92 SER HB2 1 94 TYR H . . 4.370 3.747 3.511 3.974 . 0 0 "[ . 1 . 2]" 1
1336 1 92 SER HB2 1 94 TYR QD . . 4.750 2.677 2.455 2.846 . 0 0 "[ . 1 . 2]" 1
1337 1 92 SER HB2 1 94 TYR QE . . 4.170 2.647 2.025 2.921 . 0 0 "[ . 1 . 2]" 1
1338 1 92 SER HB3 1 93 PRO HA . . 4.560 3.588 3.562 3.718 . 0 0 "[ . 1 . 2]" 1
1339 1 92 SER HB3 1 94 TYR QD . . 4.710 3.533 3.378 4.148 . 0 0 "[ . 1 . 2]" 1
1340 1 92 SER HB3 1 94 TYR QE . . 4.010 2.116 1.997 3.092 . 0 0 "[ . 1 . 2]" 1
1341 1 92 SER HG 1 93 PRO HA . . 4.190 3.062 2.863 3.347 . 0 0 "[ . 1 . 2]" 1
1342 1 93 PRO HA 1 94 TYR H . . 3.240 2.428 2.336 2.536 . 0 0 "[ . 1 . 2]" 1
1343 1 93 PRO HA 1 94 TYR QD . . 4.210 2.882 2.579 3.164 . 0 0 "[ . 1 . 2]" 1
1344 1 93 PRO HB2 1 94 TYR H . . 3.960 2.549 2.290 2.783 . 0 0 "[ . 1 . 2]" 1
1345 1 93 PRO HB3 1 94 TYR H . . 4.140 3.423 3.300 3.542 . 0 0 "[ . 1 . 2]" 1
1346 1 94 TYR H 1 94 TYR QB . . 3.420 2.471 2.407 2.588 . 0 0 "[ . 1 . 2]" 1
1347 1 94 TYR H 1 94 TYR QD . . 3.310 2.360 2.112 2.496 . 0 0 "[ . 1 . 2]" 1
1348 1 94 TYR H 1 94 TYR QE . . 4.720 4.605 4.417 4.704 . 0 0 "[ . 1 . 2]" 1
1349 1 94 TYR H 1 95 LEU H . . 4.760 4.520 4.475 4.563 . 0 0 "[ . 1 . 2]" 1
1350 1 94 TYR HA 1 94 TYR QD . . 3.920 3.143 3.067 3.170 . 0 0 "[ . 1 . 2]" 1
1351 1 94 TYR HA 1 95 LEU H . . 3.010 2.273 2.232 2.280 . 0 0 "[ . 1 . 2]" 1
1352 1 94 TYR HA 1 95 LEU HB2 . . 4.530 4.240 4.178 4.321 . 0 0 "[ . 1 . 2]" 1
1353 1 94 TYR HA 1 95 LEU HB3 . . 4.840 4.704 4.608 4.760 . 0 0 "[ . 1 . 2]" 1
1354 1 94 TYR QB 1 95 LEU H . . 3.970 2.715 2.693 2.845 . 0 0 "[ . 1 . 2]" 1
1355 1 94 TYR QB 1 96 VAL MG2 . . 3.500 2.935 2.841 3.007 . 0 0 "[ . 1 . 2]" 1
1356 1 94 TYR QD 1 95 LEU H . . 4.140 4.022 3.902 4.146 0.006 18 0 "[ . 1 . 2]" 1
1357 1 95 LEU H 1 95 LEU HB2 . . 3.240 2.876 2.792 2.960 . 0 0 "[ . 1 . 2]" 1
1358 1 95 LEU H 1 95 LEU HB3 . . 3.320 2.698 2.590 2.784 . 0 0 "[ . 1 . 2]" 1
1359 1 95 LEU H 1 95 LEU MD1 . . 4.670 4.198 4.122 4.261 . 0 0 "[ . 1 . 2]" 1
1360 1 95 LEU H 1 95 LEU MD2 . . 4.590 4.492 4.403 4.534 . 0 0 "[ . 1 . 2]" 1
1361 1 95 LEU H 1 95 LEU HG . . 4.810 4.587 4.537 4.632 . 0 0 "[ . 1 . 2]" 1
1362 1 95 LEU H 1 96 VAL H . . 4.500 4.145 4.055 4.226 . 0 0 "[ . 1 . 2]" 1
1363 1 95 LEU H 1 96 VAL MG2 . . 4.870 3.795 3.610 3.919 . 0 0 "[ . 1 . 2]" 1
1364 1 95 LEU HA 1 95 LEU MD1 . . 3.320 1.983 1.926 2.077 . 0 0 "[ . 1 . 2]" 1
1365 1 95 LEU HA 1 95 LEU MD2 . . 4.000 3.815 3.715 3.876 . 0 0 "[ . 1 . 2]" 1
1366 1 95 LEU HA 1 95 LEU HG . . 4.120 3.085 2.931 3.343 . 0 0 "[ . 1 . 2]" 1
1367 1 95 LEU HA 1 96 VAL H . . 2.880 2.157 2.142 2.183 . 0 0 "[ . 1 . 2]" 1
1368 1 95 LEU HA 1 96 VAL MG2 . . 4.340 3.571 3.416 3.710 . 0 0 "[ . 1 . 2]" 1
1369 1 95 LEU HB2 1 95 LEU MD2 . . 3.340 2.332 2.094 2.469 . 0 0 "[ . 1 . 2]" 1
1370 1 95 LEU HB2 1 96 VAL H . . 4.620 4.476 4.389 4.538 . 0 0 "[ . 1 . 2]" 1
1371 1 95 LEU HB3 1 95 LEU MD1 . . 3.410 3.186 3.167 3.196 . 0 0 "[ . 1 . 2]" 1
1372 1 95 LEU HB3 1 95 LEU MD2 . . 3.410 2.359 2.217 2.561 . 0 0 "[ . 1 . 2]" 1
1373 1 95 LEU HB3 1 96 VAL H . . 4.350 4.296 4.232 4.356 0.006 18 0 "[ . 1 . 2]" 1
1374 1 95 LEU MD1 1 96 VAL H . . 3.720 2.941 2.490 3.336 . 0 0 "[ . 1 . 2]" 1
1375 1 95 LEU MD2 1 96 VAL H . . 5.140 4.928 4.811 5.082 . 0 0 "[ . 1 . 2]" 1
1376 1 95 LEU HG 1 96 VAL H . . 4.540 3.698 3.433 3.966 . 0 0 "[ . 1 . 2]" 1
1377 1 96 VAL H 1 96 VAL HB . . 3.390 2.786 2.657 2.921 . 0 0 "[ . 1 . 2]" 1
1378 1 96 VAL H 1 96 VAL MG1 . . 4.140 3.877 3.854 3.909 . 0 0 "[ . 1 . 2]" 1
1379 1 96 VAL H 1 96 VAL MG2 . . 3.480 2.367 2.090 2.645 . 0 0 "[ . 1 . 2]" 1
1380 1 96 VAL H 1 97 PRO QD . . 4.630 3.921 3.843 4.049 . 0 0 "[ . 1 . 2]" 1
1381 1 96 VAL HA 1 96 VAL MG1 . . 3.310 2.220 2.098 2.322 . 0 0 "[ . 1 . 2]" 1
1382 1 96 VAL HA 1 96 VAL MG2 . . 3.440 2.524 2.394 2.647 . 0 0 "[ . 1 . 2]" 1
1383 1 96 VAL HA 1 97 PRO HD2 . . 3.230 1.918 1.912 1.937 . 0 0 "[ . 1 . 2]" 1
1384 1 96 VAL HA 1 97 PRO QD . . 2.820 1.853 1.851 1.857 . 0 0 "[ . 1 . 2]" 1
1385 1 96 VAL HA 1 97 PRO HD3 . . 3.230 2.458 2.383 2.492 . 0 0 "[ . 1 . 2]" 1
1386 1 96 VAL HA 1 97 PRO HG2 . . 4.690 4.123 4.116 4.142 . 0 0 "[ . 1 . 2]" 1
1387 1 96 VAL HA 1 97 PRO QG . . 4.020 3.769 3.765 3.772 . 0 0 "[ . 1 . 2]" 1
1388 1 96 VAL HA 1 97 PRO HG3 . . 4.690 4.362 4.331 4.378 . 0 0 "[ . 1 . 2]" 1
1389 1 96 VAL HB 1 98 VAL MG2 . . 4.170 3.080 2.831 3.362 . 0 0 "[ . 1 . 2]" 1
1390 1 96 VAL MG1 1 97 PRO HD2 . . 3.920 2.581 2.281 2.711 . 0 0 "[ . 1 . 2]" 1
1391 1 96 VAL MG1 1 97 PRO QD . . 3.370 2.544 2.260 2.665 . 0 0 "[ . 1 . 2]" 1
1392 1 96 VAL MG1 1 97 PRO HD3 . . 3.920 3.870 3.669 3.936 0.016 18 0 "[ . 1 . 2]" 1
1393 1 96 VAL MG1 1 97 PRO HG2 . . 5.080 3.902 3.662 4.028 . 0 0 "[ . 1 . 2]" 1
1394 1 96 VAL MG1 1 97 PRO QG . . 4.330 3.749 3.531 3.859 . 0 0 "[ . 1 . 2]" 1
1395 1 96 VAL MG1 1 97 PRO HG3 . . 5.080 4.853 4.633 4.946 . 0 0 "[ . 1 . 2]" 1
1396 1 97 PRO HA 1 98 VAL H . . 2.880 2.288 2.205 2.329 . 0 0 "[ . 1 . 2]" 1
1397 1 97 PRO HB2 1 98 VAL H . . 4.220 4.122 3.965 4.179 . 0 0 "[ . 1 . 2]" 1
1398 1 97 PRO HB2 1 99 ILE MG . . 4.020 3.438 3.159 3.585 . 0 0 "[ . 1 . 2]" 1
1399 1 97 PRO HB3 1 99 ILE MG . . 5.500 4.781 4.523 4.963 . 0 0 "[ . 1 . 2]" 1
1400 1 97 PRO QD 1 98 VAL H . . 4.960 4.653 4.589 4.795 . 0 0 "[ . 1 . 2]" 1
1401 1 98 VAL H 1 98 VAL HB . . 3.200 2.542 2.445 2.672 . 0 0 "[ . 1 . 2]" 1
1402 1 98 VAL H 1 98 VAL MG1 . . 3.890 3.779 3.757 3.809 . 0 0 "[ . 1 . 2]" 1
1403 1 98 VAL H 1 98 VAL MG2 . . 3.490 2.230 1.898 2.434 . 0 0 "[ . 1 . 2]" 1
1404 1 98 VAL H 1 99 ILE H . . 4.680 4.563 4.479 4.608 . 0 0 "[ . 1 . 2]" 1
1405 1 98 VAL HA 1 98 VAL MG1 . . 3.390 2.328 2.230 2.470 . 0 0 "[ . 1 . 2]" 1
1406 1 98 VAL HA 1 98 VAL MG2 . . 3.400 2.404 2.294 2.546 . 0 0 "[ . 1 . 2]" 1
1407 1 98 VAL HA 1 99 ILE H . . 2.930 2.191 2.141 2.243 . 0 0 "[ . 1 . 2]" 1
1408 1 98 VAL HA 1 99 ILE HG12 . . 4.600 4.011 3.924 4.138 . 0 0 "[ . 1 . 2]" 1
1409 1 98 VAL HA 1 99 ILE HG13 . . 4.730 4.634 4.531 4.724 . 0 0 "[ . 1 . 2]" 1
1410 1 98 VAL HA 1 99 ILE MG . . 4.500 3.666 3.567 3.785 . 0 0 "[ . 1 . 2]" 1
1411 1 98 VAL HB 1 99 ILE H . . 4.660 4.023 3.895 4.212 . 0 0 "[ . 1 . 2]" 1
1412 1 98 VAL HB 1 99 ILE MG . . 5.500 4.911 4.637 5.062 . 0 0 "[ . 1 . 2]" 1
1413 1 98 VAL MG1 1 99 ILE H . . 3.630 2.245 1.978 2.573 . 0 0 "[ . 1 . 2]" 1
1414 1 98 VAL MG1 1 99 ILE HA . . 4.820 3.599 3.310 3.874 . 0 0 "[ . 1 . 2]" 1
1415 1 98 VAL MG1 1 100 ALA H . . 4.970 4.727 4.460 4.921 . 0 0 "[ . 1 . 2]" 1
1416 1 98 VAL MG2 1 99 ILE H . . 4.200 3.983 3.837 4.137 . 0 0 "[ . 1 . 2]" 1
1417 1 99 ILE H 1 99 ILE HB . . 4.080 3.833 3.750 3.893 . 0 0 "[ . 1 . 2]" 1
1418 1 99 ILE H 1 99 ILE MD . . 4.180 3.997 3.867 4.096 . 0 0 "[ . 1 . 2]" 1
1419 1 99 ILE H 1 99 ILE HG12 . . 3.570 2.619 2.402 2.776 . 0 0 "[ . 1 . 2]" 1
1420 1 99 ILE H 1 99 ILE HG13 . . 3.360 2.624 2.538 2.722 . 0 0 "[ . 1 . 2]" 1
1421 1 99 ILE H 1 99 ILE MG . . 3.590 2.964 2.771 3.146 . 0 0 "[ . 1 . 2]" 1
1422 1 99 ILE H 1 100 ALA H . . 4.640 4.452 4.404 4.507 . 0 0 "[ . 1 . 2]" 1
1423 1 99 ILE HA 1 99 ILE MD . . 4.180 4.119 4.100 4.136 . 0 0 "[ . 1 . 2]" 1
1424 1 99 ILE HA 1 99 ILE MG . . 3.130 2.322 2.219 2.425 . 0 0 "[ . 1 . 2]" 1
1425 1 99 ILE HA 1 100 ALA H . . 2.740 2.328 2.287 2.369 . 0 0 "[ . 1 . 2]" 1
1426 1 99 ILE HB 1 99 ILE MD . . 3.020 2.194 2.119 2.302 . 0 0 "[ . 1 . 2]" 1
1427 1 99 ILE HB 1 100 ALA H . . 2.950 2.566 2.470 2.674 . 0 0 "[ . 1 . 2]" 1
1428 1 99 ILE MD 1 99 ILE MG . . 2.820 2.356 2.219 2.499 . 0 0 "[ . 1 . 2]" 1
1429 1 99 ILE MD 1 100 ALA H . . 4.140 4.035 3.875 4.140 . 0 0 "[ . 1 . 2]" 1
1430 1 99 ILE MD 1 101 PRO HA . . 4.540 3.724 3.476 3.874 . 0 0 "[ . 1 . 2]" 1
1431 1 99 ILE MD 1 101 PRO HD3 . . 4.990 4.756 4.293 4.942 . 0 0 "[ . 1 . 2]" 1
1432 1 99 ILE HG12 1 99 ILE MG . . 3.270 2.173 2.078 2.254 . 0 0 "[ . 1 . 2]" 1
1433 1 99 ILE HG12 1 100 ALA H . . 5.150 4.942 4.846 5.027 . 0 0 "[ . 1 . 2]" 1
1434 1 99 ILE HG13 1 99 ILE MG . . 3.170 3.150 3.133 3.162 . 0 0 "[ . 1 . 2]" 1
1435 1 99 ILE HG13 1 100 ALA H . . 4.770 3.895 3.760 3.993 . 0 0 "[ . 1 . 2]" 1
1436 1 99 ILE MG 1 100 ALA H . . 3.750 3.721 3.662 3.749 . 0 0 "[ . 1 . 2]" 1
1437 1 100 ALA H 1 100 ALA MB . . 2.790 2.161 2.075 2.280 . 0 0 "[ . 1 . 2]" 1
1438 1 100 ALA H 1 101 PRO HD2 . . 5.500 4.748 4.701 4.765 . 0 0 "[ . 1 . 2]" 1
1439 1 100 ALA H 1 101 PRO HD3 . . 4.570 4.560 4.427 4.592 0.022 13 0 "[ . 1 . 2]" 1
1440 1 100 ALA HA 1 101 PRO HD2 . . 3.140 1.951 1.925 1.961 . 0 0 "[ . 1 . 2]" 1
1441 1 100 ALA HA 1 101 PRO HD3 . . 3.260 2.361 2.344 2.420 . 0 0 "[ . 1 . 2]" 1
1442 1 100 ALA HA 1 101 PRO QG . . 4.430 3.772 3.768 3.775 . 0 0 "[ . 1 . 2]" 1
1443 1 100 ALA MB 1 101 PRO HD2 . . 3.740 3.068 2.988 3.230 . 0 0 "[ . 1 . 2]" 1
1444 1 100 ALA MB 1 101 PRO HD3 . . 4.580 3.933 3.904 4.004 . 0 0 "[ . 1 . 2]" 1
1445 1 100 ALA MB 1 102 SER H . . 5.210 5.010 4.806 5.197 . 0 0 "[ . 1 . 2]" 1
1446 1 101 PRO HA 1 102 SER H . . 2.630 2.154 2.150 2.162 . 0 0 "[ . 1 . 2]" 1
1447 1 101 PRO QB 1 102 SER H . . 3.540 3.404 3.269 3.527 . 0 0 "[ . 1 . 2]" 1
1448 1 101 PRO HB2 1 102 SER H . . 4.270 3.646 3.481 3.798 . 0 0 "[ . 1 . 2]" 1
1449 1 101 PRO HB3 1 102 SER H . . 4.270 4.079 3.966 4.186 . 0 0 "[ . 1 . 2]" 1
1450 1 101 PRO QG 1 102 SER H . . 4.760 4.694 4.640 4.735 . 0 0 "[ . 1 . 2]" 1
1451 1 102 SER H 1 102 SER HB2 . . 3.780 2.825 2.214 3.704 . 0 0 "[ . 1 . 2]" 1
1452 1 102 SER H 1 102 SER QB . . 3.250 2.456 2.192 2.871 . 0 0 "[ . 1 . 2]" 1
1453 1 102 SER H 1 102 SER HB3 . . 3.780 3.042 2.472 3.641 . 0 0 "[ . 1 . 2]" 1
1454 1 102 SER HA 1 103 ASP H . . 3.130 2.228 2.137 2.814 . 0 0 "[ . 1 . 2]" 1
1455 1 102 SER QB 1 103 ASP H . . 4.160 3.616 2.902 4.041 . 0 0 "[ . 1 . 2]" 1
1456 1 102 SER HB2 1 103 ASP H . . 4.780 4.241 3.213 4.649 . 0 0 "[ . 1 . 2]" 1
1457 1 102 SER HB3 1 103 ASP H . . 4.780 4.025 2.982 4.530 . 0 0 "[ . 1 . 2]" 1
1458 1 103 ASP H 1 103 ASP QB . . 3.590 2.556 2.224 3.056 . 0 0 "[ . 1 . 2]" 1
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