NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
454088 |
2ytv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ytv
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 1118
_Distance_constraint_stats_list.Viol_count 115
_Distance_constraint_stats_list.Viol_total 11.074
_Distance_constraint_stats_list.Viol_max 0.039
_Distance_constraint_stats_list.Viol_rms 0.0008
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0048
_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 LEU 0.001 0.001 10 0 "[ . 1 . 2]"
1 9 ARG 0.001 0.001 8 0 "[ . 1 . 2]"
1 10 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ALA 0.000 0.000 20 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 8 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 VAL 0.001 0.001 9 0 "[ . 1 . 2]"
1 17 LYS 0.002 0.001 6 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLN 0.007 0.004 9 0 "[ . 1 . 2]"
1 20 PHE 0.004 0.001 16 0 "[ . 1 . 2]"
1 21 GLY 0.004 0.001 6 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 6 0 "[ . 1 . 2]"
1 23 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.012 0.005 10 0 "[ . 1 . 2]"
1 32 LYS 0.008 0.005 10 0 "[ . 1 . 2]"
1 33 LEU 0.000 0.000 6 0 "[ . 1 . 2]"
1 34 PHE 0.001 0.001 7 0 "[ . 1 . 2]"
1 35 PHE 0.005 0.002 9 0 "[ . 1 . 2]"
1 36 HIS 0.002 0.002 9 0 "[ . 1 . 2]"
1 37 VAL 0.012 0.004 9 0 "[ . 1 . 2]"
1 38 LYS 0.005 0.002 9 0 "[ . 1 . 2]"
1 39 GLU 0.002 0.001 2 0 "[ . 1 . 2]"
1 40 VAL 0.020 0.005 7 0 "[ . 1 . 2]"
1 41 GLN 0.027 0.012 7 0 "[ . 1 . 2]"
1 42 ASP 0.011 0.003 5 0 "[ . 1 . 2]"
1 43 GLY 0.001 0.001 6 0 "[ . 1 . 2]"
1 44 ILE 0.040 0.021 8 0 "[ . 1 . 2]"
1 45 GLU 0.034 0.021 8 0 "[ . 1 . 2]"
1 46 LEU 0.012 0.007 8 0 "[ . 1 . 2]"
1 47 GLN 0.001 0.001 8 0 "[ . 1 . 2]"
1 48 ALA 0.001 0.001 9 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 8 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.001 0.000 7 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 GLU 0.002 0.001 10 0 "[ . 1 . 2]"
1 54 PHE 0.001 0.001 8 0 "[ . 1 . 2]"
1 55 SER 0.001 0.001 7 0 "[ . 1 . 2]"
1 56 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LEU 0.000 0.000 9 0 "[ . 1 . 2]"
1 59 ASN 0.001 0.000 9 0 "[ . 1 . 2]"
1 60 GLN 0.001 0.001 10 0 "[ . 1 . 2]"
1 61 ARG 0.001 0.001 9 0 "[ . 1 . 2]"
1 62 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.001 0.001 10 0 "[ . 1 . 2]"
1 64 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 CYS 0.001 0.000 6 0 "[ . 1 . 2]"
1 66 SER 0.000 0.000 15 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 0.001 0.001 7 0 "[ . 1 . 2]"
1 69 ASN 0.002 0.001 10 0 "[ . 1 . 2]"
1 70 VAL 0.001 0.001 7 0 "[ . 1 . 2]"
1 71 TRP 0.382 0.039 13 0 "[ . 1 . 2]"
1 72 ARG 0.012 0.006 9 0 "[ . 1 . 2]"
1 73 VAL 0.010 0.006 9 0 "[ . 1 . 2]"
1 74 SER 0.030 0.014 9 0 "[ . 1 . 2]"
1 75 GLY 0.030 0.014 9 0 "[ . 1 . 2]"
1 76 PRO 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 H 1 8 LEU H . . 4.880 4.340 4.051 4.607 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 LEU HG . . 4.570 3.683 3.526 4.116 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY HA2 1 8 LEU H . . 3.100 2.665 2.179 3.025 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY HA3 1 8 LEU H . . 3.100 2.495 2.203 3.083 . 0 0 "[ . 1 . 2]" 1
5 1 8 LEU H 1 8 LEU HB2 . . 3.100 2.489 2.270 2.633 . 0 0 "[ . 1 . 2]" 1
6 1 8 LEU H 1 8 LEU HB3 . . 3.650 3.602 3.542 3.640 . 0 0 "[ . 1 . 2]" 1
7 1 8 LEU H 1 8 LEU MD1 . . 3.900 3.477 3.140 3.788 . 0 0 "[ . 1 . 2]" 1
8 1 8 LEU H 1 8 LEU MD2 . . 3.900 3.604 3.213 3.898 . 0 0 "[ . 1 . 2]" 1
9 1 8 LEU H 1 8 LEU HG . . 2.940 2.370 1.989 2.794 . 0 0 "[ . 1 . 2]" 1
10 1 8 LEU H 1 9 ARG H . . 5.360 4.587 4.464 4.637 . 0 0 "[ . 1 . 2]" 1
11 1 8 LEU HA 1 8 LEU MD1 . . 4.030 3.916 3.829 3.968 . 0 0 "[ . 1 . 2]" 1
12 1 8 LEU HA 1 8 LEU MD2 . . 3.190 2.259 2.004 2.538 . 0 0 "[ . 1 . 2]" 1
13 1 8 LEU HA 1 8 LEU HG . . 4.170 2.998 2.753 3.251 . 0 0 "[ . 1 . 2]" 1
14 1 8 LEU HA 1 9 ARG H . . 2.890 2.259 2.139 2.502 . 0 0 "[ . 1 . 2]" 1
15 1 8 LEU HB2 1 8 LEU MD1 . . 3.190 2.167 2.028 2.383 . 0 0 "[ . 1 . 2]" 1
16 1 8 LEU HB2 1 9 ARG H . . 4.380 3.899 3.491 4.231 . 0 0 "[ . 1 . 2]" 1
17 1 8 LEU HB2 1 53 GLU QG . . 4.880 3.462 2.901 3.709 . 0 0 "[ . 1 . 2]" 1
18 1 8 LEU HB3 1 8 LEU MD1 . . 3.250 2.516 2.322 2.654 . 0 0 "[ . 1 . 2]" 1
19 1 8 LEU HB3 1 8 LEU MD2 . . 3.470 2.226 2.061 2.365 . 0 0 "[ . 1 . 2]" 1
20 1 8 LEU HB3 1 9 ARG H . . 3.650 2.842 2.194 3.509 . 0 0 "[ . 1 . 2]" 1
21 1 8 LEU HB3 1 53 GLU HG2 . . 4.170 2.316 2.020 2.765 . 0 0 "[ . 1 . 2]" 1
22 1 8 LEU HB3 1 53 GLU HG3 . . 4.170 2.681 2.335 2.948 . 0 0 "[ . 1 . 2]" 1
23 1 8 LEU HB3 1 54 PHE H . . 4.650 4.465 3.858 4.642 . 0 0 "[ . 1 . 2]" 1
24 1 8 LEU MD1 1 53 GLU HG2 . . 4.680 3.406 2.273 4.292 . 0 0 "[ . 1 . 2]" 1
25 1 8 LEU MD1 1 53 GLU QG . . 3.900 3.106 2.244 3.686 . 0 0 "[ . 1 . 2]" 1
26 1 8 LEU MD1 1 53 GLU HG3 . . 4.680 3.842 2.463 4.428 . 0 0 "[ . 1 . 2]" 1
27 1 8 LEU MD2 1 9 ARG H . . 4.170 3.422 2.909 3.822 . 0 0 "[ . 1 . 2]" 1
28 1 8 LEU MD2 1 53 GLU HA . . 5.500 5.012 4.330 5.413 . 0 0 "[ . 1 . 2]" 1
29 1 8 LEU MD2 1 53 GLU QB . . 5.080 4.104 3.330 4.539 . 0 0 "[ . 1 . 2]" 1
30 1 8 LEU MD2 1 53 GLU HG2 . . 4.170 2.757 2.076 3.488 . 0 0 "[ . 1 . 2]" 1
31 1 8 LEU MD2 1 53 GLU QG . . 3.580 2.679 2.063 3.183 . 0 0 "[ . 1 . 2]" 1
32 1 8 LEU MD2 1 53 GLU HG3 . . 4.170 3.829 3.341 4.171 0.001 10 0 "[ . 1 . 2]" 1
33 1 8 LEU MD2 1 54 PHE H . . 4.910 4.267 3.756 4.606 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU MD2 1 54 PHE HA . . 4.680 3.770 3.373 4.047 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU MD2 1 55 SER HB2 . . 4.170 3.137 2.211 4.141 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU MD2 1 55 SER HB3 . . 4.170 3.169 2.129 4.135 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU HG 1 53 GLU QG . . 5.130 4.560 4.095 4.870 . 0 0 "[ . 1 . 2]" 1
38 1 9 ARG H 1 9 ARG HB2 . . 3.650 2.698 2.429 2.830 . 0 0 "[ . 1 . 2]" 1
39 1 9 ARG H 1 9 ARG HB3 . . 3.900 3.799 3.649 3.882 . 0 0 "[ . 1 . 2]" 1
40 1 9 ARG H 1 9 ARG HG2 . . 3.650 3.109 2.792 3.543 . 0 0 "[ . 1 . 2]" 1
41 1 9 ARG H 1 9 ARG HG3 . . 4.680 4.293 4.068 4.593 . 0 0 "[ . 1 . 2]" 1
42 1 9 ARG H 1 53 GLU HA . . 4.380 4.162 3.866 4.354 . 0 0 "[ . 1 . 2]" 1
43 1 9 ARG H 1 54 PHE H . . 3.650 3.056 2.637 3.310 . 0 0 "[ . 1 . 2]" 1
44 1 9 ARG HA 1 9 ARG HD2 . . 3.720 3.038 2.020 3.714 . 0 0 "[ . 1 . 2]" 1
45 1 9 ARG HA 1 9 ARG QD . . 3.250 2.148 1.992 2.475 . 0 0 "[ . 1 . 2]" 1
46 1 9 ARG HA 1 9 ARG HD3 . . 3.720 2.430 2.004 3.621 . 0 0 "[ . 1 . 2]" 1
47 1 9 ARG HA 1 9 ARG HG2 . . 4.170 2.966 2.819 3.139 . 0 0 "[ . 1 . 2]" 1
48 1 9 ARG HA 1 9 ARG HG3 . . 4.170 3.761 3.666 3.841 . 0 0 "[ . 1 . 2]" 1
49 1 9 ARG HA 1 10 ARG H . . 2.940 2.308 2.181 2.634 . 0 0 "[ . 1 . 2]" 1
50 1 9 ARG HA 1 10 ARG HG3 . . 4.680 4.208 3.861 4.680 . 0 0 "[ . 1 . 2]" 1
51 1 9 ARG HB2 1 10 ARG H . . 4.140 3.854 3.330 4.095 . 0 0 "[ . 1 . 2]" 1
52 1 9 ARG HB2 1 54 PHE QD . . 4.390 3.806 3.434 4.158 . 0 0 "[ . 1 . 2]" 1
53 1 9 ARG HB2 1 54 PHE QE . . 4.170 3.217 2.475 3.659 . 0 0 "[ . 1 . 2]" 1
54 1 9 ARG HB3 1 9 ARG HD2 . . 4.170 2.668 2.247 3.465 . 0 0 "[ . 1 . 2]" 1
55 1 9 ARG HB3 1 9 ARG QD . . 3.580 2.409 2.194 2.998 . 0 0 "[ . 1 . 2]" 1
56 1 9 ARG HB3 1 9 ARG HD3 . . 4.170 2.984 2.306 3.650 . 0 0 "[ . 1 . 2]" 1
57 1 9 ARG HB3 1 10 ARG H . . 3.470 2.740 1.952 3.123 . 0 0 "[ . 1 . 2]" 1
58 1 9 ARG HB3 1 25 TYR QE . . 4.680 3.172 2.530 3.938 . 0 0 "[ . 1 . 2]" 1
59 1 9 ARG HB3 1 54 PHE QE . . 4.680 4.176 3.535 4.584 . 0 0 "[ . 1 . 2]" 1
60 1 9 ARG HB3 1 54 PHE HZ . . 4.980 4.463 3.835 4.918 . 0 0 "[ . 1 . 2]" 1
61 1 9 ARG QD 1 25 TYR QE . . 3.900 3.354 2.896 3.880 . 0 0 "[ . 1 . 2]" 1
62 1 9 ARG QD 1 56 VAL QG . . 5.280 4.084 3.566 4.464 . 0 0 "[ . 1 . 2]" 1
63 1 9 ARG HD2 1 10 ARG H . . 4.680 4.158 3.456 4.680 . 0 0 "[ . 1 . 2]" 1
64 1 9 ARG HD2 1 25 TYR QE . . 4.680 3.608 2.933 4.672 . 0 0 "[ . 1 . 2]" 1
65 1 9 ARG HD3 1 10 ARG H . . 4.680 3.922 2.959 4.679 . 0 0 "[ . 1 . 2]" 1
66 1 9 ARG HD3 1 25 TYR QE . . 4.680 4.441 3.877 4.669 . 0 0 "[ . 1 . 2]" 1
67 1 9 ARG HG2 1 54 PHE QD . . 5.500 5.326 4.622 5.501 0.001 8 0 "[ . 1 . 2]" 1
68 1 9 ARG HG2 1 54 PHE QE . . 5.500 5.029 4.139 5.476 . 0 0 "[ . 1 . 2]" 1
69 1 9 ARG HG3 1 25 TYR QE . . 4.170 3.146 2.099 3.550 . 0 0 "[ . 1 . 2]" 1
70 1 9 ARG HG3 1 54 PHE QE . . 4.680 4.213 3.532 4.563 . 0 0 "[ . 1 . 2]" 1
71 1 10 ARG H 1 10 ARG HB2 . . 3.900 2.490 2.299 2.761 . 0 0 "[ . 1 . 2]" 1
72 1 10 ARG H 1 10 ARG HB3 . . 3.900 3.649 3.533 3.737 . 0 0 "[ . 1 . 2]" 1
73 1 10 ARG H 1 10 ARG HG3 . . 4.410 3.419 3.079 3.845 . 0 0 "[ . 1 . 2]" 1
74 1 10 ARG HA 1 10 ARG HD2 . . 5.500 4.475 4.127 4.741 . 0 0 "[ . 1 . 2]" 1
75 1 10 ARG HA 1 10 ARG QD . . 4.810 4.018 3.312 4.169 . 0 0 "[ . 1 . 2]" 1
76 1 10 ARG HA 1 10 ARG HD3 . . 5.500 4.586 3.438 4.801 . 0 0 "[ . 1 . 2]" 1
77 1 10 ARG HA 1 10 ARG HG2 . . 3.680 2.691 2.255 3.519 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG HA 1 10 ARG HG3 . . 3.810 2.614 2.304 2.993 . 0 0 "[ . 1 . 2]" 1
79 1 10 ARG HA 1 11 ALA H . . 2.820 2.182 2.141 2.236 . 0 0 "[ . 1 . 2]" 1
80 1 10 ARG HA 1 11 ALA MB . . 4.680 3.917 3.834 4.020 . 0 0 "[ . 1 . 2]" 1
81 1 10 ARG HA 1 52 VAL MG2 . . 5.260 4.493 4.243 4.842 . 0 0 "[ . 1 . 2]" 1
82 1 10 ARG HA 1 54 PHE QE . . 5.230 4.496 3.901 4.814 . 0 0 "[ . 1 . 2]" 1
83 1 10 ARG HA 1 73 VAL QG . . 5.070 4.527 3.815 5.032 . 0 0 "[ . 1 . 2]" 1
84 1 10 ARG QB 1 10 ARG QD . . 3.230 2.271 1.978 2.514 . 0 0 "[ . 1 . 2]" 1
85 1 10 ARG QB 1 11 ALA H . . 3.830 3.108 2.864 3.403 . 0 0 "[ . 1 . 2]" 1
86 1 10 ARG QD 1 73 VAL QG . . 3.390 2.929 1.965 3.387 . 0 0 "[ . 1 . 2]" 1
87 1 10 ARG HG2 1 11 ALA H . . 4.930 4.041 3.614 4.757 . 0 0 "[ . 1 . 2]" 1
88 1 10 ARG HG2 1 53 GLU H . . 5.420 4.499 3.926 5.359 . 0 0 "[ . 1 . 2]" 1
89 1 10 ARG HG2 1 53 GLU HG2 . . 5.500 4.890 4.323 5.467 . 0 0 "[ . 1 . 2]" 1
90 1 10 ARG HG2 1 53 GLU HG3 . . 5.500 3.659 3.027 4.676 . 0 0 "[ . 1 . 2]" 1
91 1 10 ARG HG2 1 73 VAL MG1 . . 4.170 3.578 2.116 4.169 . 0 0 "[ . 1 . 2]" 1
92 1 10 ARG HG2 1 73 VAL MG2 . . 4.170 3.207 2.381 3.929 . 0 0 "[ . 1 . 2]" 1
93 1 10 ARG HG3 1 11 ALA H . . 5.180 4.594 4.082 4.839 . 0 0 "[ . 1 . 2]" 1
94 1 10 ARG HG3 1 53 GLU H . . 5.500 5.167 4.348 5.426 . 0 0 "[ . 1 . 2]" 1
95 1 10 ARG HG3 1 53 GLU HG2 . . 4.680 3.972 3.304 4.397 . 0 0 "[ . 1 . 2]" 1
96 1 10 ARG HG3 1 53 GLU HG3 . . 4.680 2.581 2.057 3.673 . 0 0 "[ . 1 . 2]" 1
97 1 11 ALA H 1 11 ALA MB . . 3.250 2.751 2.656 2.834 . 0 0 "[ . 1 . 2]" 1
98 1 11 ALA H 1 23 ILE MG . . 4.600 4.221 3.986 4.567 . 0 0 "[ . 1 . 2]" 1
99 1 11 ALA H 1 51 GLU HG2 . . 3.470 3.267 2.969 3.469 . 0 0 "[ . 1 . 2]" 1
100 1 11 ALA H 1 51 GLU HG3 . . 4.380 3.553 3.184 3.875 . 0 0 "[ . 1 . 2]" 1
101 1 11 ALA H 1 52 VAL MG2 . . 4.070 3.596 3.305 3.912 . 0 0 "[ . 1 . 2]" 1
102 1 11 ALA H 1 54 PHE QD . . 5.290 4.593 4.172 4.853 . 0 0 "[ . 1 . 2]" 1
103 1 11 ALA H 1 54 PHE QE . . 3.770 3.607 3.043 3.769 . 0 0 "[ . 1 . 2]" 1
104 1 11 ALA MB 1 12 THR H . . 2.980 2.593 2.407 2.764 . 0 0 "[ . 1 . 2]" 1
105 1 11 ALA MB 1 23 ILE HB . . 4.410 4.145 3.813 4.400 . 0 0 "[ . 1 . 2]" 1
106 1 11 ALA MB 1 23 ILE MD . . 4.140 3.875 3.613 4.097 . 0 0 "[ . 1 . 2]" 1
107 1 11 ALA MB 1 23 ILE MG . . 2.920 2.142 1.862 2.339 . 0 0 "[ . 1 . 2]" 1
108 1 11 ALA MB 1 24 ASN H . . 4.380 3.789 3.459 4.178 . 0 0 "[ . 1 . 2]" 1
109 1 11 ALA MB 1 24 ASN QB . . 4.570 3.630 3.132 4.090 . 0 0 "[ . 1 . 2]" 1
110 1 11 ALA MB 1 25 TYR H . . 4.390 4.263 4.091 4.380 . 0 0 "[ . 1 . 2]" 1
111 1 11 ALA MB 1 25 TYR HA . . 4.170 3.390 2.953 3.662 . 0 0 "[ . 1 . 2]" 1
112 1 11 ALA MB 1 25 TYR HB2 . . 3.900 2.209 2.023 2.415 . 0 0 "[ . 1 . 2]" 1
113 1 11 ALA MB 1 25 TYR QB . . 3.240 2.188 2.006 2.389 . 0 0 "[ . 1 . 2]" 1
114 1 11 ALA MB 1 25 TYR HB3 . . 3.900 3.538 3.196 3.795 . 0 0 "[ . 1 . 2]" 1
115 1 11 ALA MB 1 25 TYR QD . . 3.390 2.396 1.919 2.788 . 0 0 "[ . 1 . 2]" 1
116 1 11 ALA MB 1 25 TYR QE . . 4.170 3.838 3.335 4.153 . 0 0 "[ . 1 . 2]" 1
117 1 11 ALA MB 1 51 GLU HG3 . . 4.680 4.548 4.394 4.680 . 20 0 "[ . 1 . 2]" 1
118 1 11 ALA MB 1 52 VAL MG2 . . 4.170 4.032 3.815 4.168 . 0 0 "[ . 1 . 2]" 1
119 1 11 ALA MB 1 54 PHE QD . . 4.680 4.411 4.066 4.658 . 0 0 "[ . 1 . 2]" 1
120 1 11 ALA MB 1 54 PHE QE . . 3.250 2.478 2.065 2.854 . 0 0 "[ . 1 . 2]" 1
121 1 11 ALA MB 1 54 PHE HZ . . 3.470 2.795 2.466 3.303 . 0 0 "[ . 1 . 2]" 1
122 1 12 THR H 1 12 THR HB . . 3.720 3.568 3.529 3.600 . 0 0 "[ . 1 . 2]" 1
123 1 12 THR H 1 12 THR MG . . 3.650 3.020 2.850 3.116 . 0 0 "[ . 1 . 2]" 1
124 1 12 THR H 1 23 ILE MG . . 4.380 3.827 3.622 4.034 . 0 0 "[ . 1 . 2]" 1
125 1 12 THR H 1 24 ASN H . . 4.650 4.487 4.206 4.644 . 0 0 "[ . 1 . 2]" 1
126 1 12 THR H 1 24 ASN QB . . 4.220 3.491 3.190 3.771 . 0 0 "[ . 1 . 2]" 1
127 1 12 THR HA 1 12 THR MG . . 3.390 2.129 2.042 2.209 . 0 0 "[ . 1 . 2]" 1
128 1 12 THR HA 1 13 VAL H . . 2.890 2.262 2.187 2.363 . 0 0 "[ . 1 . 2]" 1
129 1 12 THR HA 1 13 VAL HB . . 4.980 4.763 4.703 4.831 . 0 0 "[ . 1 . 2]" 1
130 1 12 THR HA 1 13 VAL MG2 . . 4.170 3.558 3.414 3.640 . 0 0 "[ . 1 . 2]" 1
131 1 12 THR HA 1 23 ILE MG . . 5.020 3.984 3.752 4.226 . 0 0 "[ . 1 . 2]" 1
132 1 12 THR HA 1 50 ASP HB3 . . 5.500 5.433 5.289 5.500 . 0 0 "[ . 1 . 2]" 1
133 1 12 THR HA 1 51 GLU HB2 . . 4.680 4.010 3.761 4.251 . 0 0 "[ . 1 . 2]" 1
134 1 12 THR HA 1 52 VAL H . . 3.900 3.536 3.342 3.818 . 0 0 "[ . 1 . 2]" 1
135 1 12 THR HA 1 52 VAL MG2 . . 5.410 4.131 3.890 4.432 . 0 0 "[ . 1 . 2]" 1
136 1 12 THR HB 1 13 VAL H . . 3.470 2.832 2.518 3.102 . 0 0 "[ . 1 . 2]" 1
137 1 12 THR HB 1 49 GLY H . . 4.190 3.573 3.351 3.934 . 0 0 "[ . 1 . 2]" 1
138 1 12 THR HB 1 49 GLY HA2 . . 3.900 2.707 2.481 2.913 . 0 0 "[ . 1 . 2]" 1
139 1 12 THR HB 1 49 GLY HA3 . . 4.680 4.429 4.198 4.643 . 0 0 "[ . 1 . 2]" 1
140 1 12 THR MG 1 13 VAL H . . 3.690 3.468 3.344 3.614 . 0 0 "[ . 1 . 2]" 1
141 1 12 THR MG 1 49 GLY HA2 . . 3.720 2.880 2.650 3.084 . 0 0 "[ . 1 . 2]" 1
142 1 12 THR MG 1 49 GLY HA3 . . 4.170 4.021 3.770 4.170 . 0 0 "[ . 1 . 2]" 1
143 1 12 THR MG 1 51 GLU H . . 4.380 3.133 2.757 3.553 . 0 0 "[ . 1 . 2]" 1
144 1 12 THR MG 1 51 GLU HB3 . . 4.170 3.762 3.488 4.075 . 0 0 "[ . 1 . 2]" 1
145 1 12 THR MG 1 51 GLU HG2 . . 3.900 3.795 3.576 3.900 . 0 0 "[ . 1 . 2]" 1
146 1 12 THR MG 1 51 GLU HG3 . . 4.170 2.385 2.135 2.599 . 0 0 "[ . 1 . 2]" 1
147 1 13 VAL H 1 13 VAL HB . . 3.100 2.558 2.504 2.607 . 0 0 "[ . 1 . 2]" 1
148 1 13 VAL H 1 13 VAL MG1 . . 3.900 3.791 3.771 3.819 . 0 0 "[ . 1 . 2]" 1
149 1 13 VAL H 1 13 VAL MG2 . . 3.170 2.381 2.162 2.619 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL H 1 23 ILE MG . . 4.790 3.898 3.454 4.357 . 0 0 "[ . 1 . 2]" 1
151 1 13 VAL H 1 50 ASP H . . 4.380 2.737 2.603 2.911 . 0 0 "[ . 1 . 2]" 1
152 1 13 VAL H 1 50 ASP HB3 . . 4.870 4.779 4.564 4.869 . 0 0 "[ . 1 . 2]" 1
153 1 13 VAL H 1 52 VAL MG2 . . 4.560 4.406 4.047 4.560 . 0 0 "[ . 1 . 2]" 1
154 1 13 VAL HA 1 13 VAL MG1 . . 3.470 2.276 2.218 2.392 . 0 0 "[ . 1 . 2]" 1
155 1 13 VAL HA 1 13 VAL MG2 . . 3.470 2.348 2.300 2.427 . 0 0 "[ . 1 . 2]" 1
156 1 13 VAL HA 1 14 GLU H . . 3.170 2.228 2.162 2.271 . 0 0 "[ . 1 . 2]" 1
157 1 13 VAL HA 1 15 CYS H . . 4.920 4.647 4.339 4.865 . 0 0 "[ . 1 . 2]" 1
158 1 13 VAL HA 1 23 ILE HA . . 3.390 2.162 2.003 2.484 . 0 0 "[ . 1 . 2]" 1
159 1 13 VAL HA 1 23 ILE HG12 . . 4.170 3.256 2.836 3.669 . 0 0 "[ . 1 . 2]" 1
160 1 13 VAL HA 1 23 ILE MG . . 3.900 2.537 2.079 3.013 . 0 0 "[ . 1 . 2]" 1
161 1 13 VAL HA 1 24 ASN H . . 3.900 2.693 2.142 3.118 . 0 0 "[ . 1 . 2]" 1
162 1 13 VAL HB 1 23 ILE MG . . 5.500 4.758 4.289 5.236 . 0 0 "[ . 1 . 2]" 1
163 1 13 VAL HB 1 48 ALA H . . 5.470 4.917 4.654 5.196 . 0 0 "[ . 1 . 2]" 1
164 1 13 VAL HB 1 48 ALA HA . . 3.720 3.171 2.910 3.500 . 0 0 "[ . 1 . 2]" 1
165 1 13 VAL HB 1 48 ALA MB . . 4.980 4.688 4.475 4.963 . 0 0 "[ . 1 . 2]" 1
166 1 13 VAL HB 1 49 GLY H . . 3.650 3.182 2.944 3.375 . 0 0 "[ . 1 . 2]" 1
167 1 13 VAL HB 1 50 ASP H . . 3.350 2.955 2.763 3.088 . 0 0 "[ . 1 . 2]" 1
168 1 13 VAL HB 1 50 ASP HB2 . . 4.170 3.340 2.975 3.586 . 0 0 "[ . 1 . 2]" 1
169 1 13 VAL HB 1 52 VAL MG1 . . 5.500 5.070 4.589 5.378 . 0 0 "[ . 1 . 2]" 1
170 1 13 VAL MG1 1 14 GLU H . . 3.650 2.110 1.957 2.564 . 0 0 "[ . 1 . 2]" 1
171 1 13 VAL MG1 1 15 CYS H . . 3.350 2.580 2.059 2.813 . 0 0 "[ . 1 . 2]" 1
172 1 13 VAL MG1 1 16 VAL H . . 4.440 3.933 3.453 4.343 . 0 0 "[ . 1 . 2]" 1
173 1 13 VAL MG1 1 22 PHE H . . 4.430 3.424 3.072 3.807 . 0 0 "[ . 1 . 2]" 1
174 1 13 VAL MG1 1 23 ILE HA . . 4.210 2.800 2.559 3.321 . 0 0 "[ . 1 . 2]" 1
175 1 13 VAL MG1 1 23 ILE MD . . 4.650 4.226 3.753 4.577 . 0 0 "[ . 1 . 2]" 1
176 1 13 VAL MG1 1 35 PHE QD . . 5.350 4.680 4.394 5.058 . 0 0 "[ . 1 . 2]" 1
177 1 13 VAL MG1 1 35 PHE QE . . 3.650 2.876 2.481 3.247 . 0 0 "[ . 1 . 2]" 1
178 1 13 VAL MG1 1 35 PHE HZ . . 3.900 2.637 2.161 2.963 . 0 0 "[ . 1 . 2]" 1
179 1 13 VAL MG1 1 46 LEU HB2 . . 4.680 3.740 3.129 4.676 . 0 0 "[ . 1 . 2]" 1
180 1 13 VAL MG1 1 48 ALA H . . 5.500 4.618 4.101 4.938 . 0 0 "[ . 1 . 2]" 1
181 1 13 VAL MG1 1 48 ALA HA . . 3.520 3.224 3.060 3.490 . 0 0 "[ . 1 . 2]" 1
182 1 13 VAL MG1 1 48 ALA MB . . 4.430 4.104 3.887 4.357 . 0 0 "[ . 1 . 2]" 1
183 1 13 VAL MG1 1 49 GLY H . . 4.140 4.075 3.957 4.140 0.000 8 0 "[ . 1 . 2]" 1
184 1 13 VAL MG1 1 50 ASP H . . 4.650 4.464 4.255 4.606 . 0 0 "[ . 1 . 2]" 1
185 1 13 VAL MG1 1 50 ASP HB2 . . 4.980 4.568 4.215 4.820 . 0 0 "[ . 1 . 2]" 1
186 1 13 VAL MG2 1 14 GLU H . . 4.380 3.947 3.884 4.016 . 0 0 "[ . 1 . 2]" 1
187 1 13 VAL MG2 1 23 ILE HA . . 4.290 3.326 3.018 3.504 . 0 0 "[ . 1 . 2]" 1
188 1 13 VAL MG2 1 23 ILE HG12 . . 3.900 2.265 1.945 2.644 . 0 0 "[ . 1 . 2]" 1
189 1 13 VAL MG2 1 23 ILE HG13 . . 4.170 3.711 3.385 4.096 . 0 0 "[ . 1 . 2]" 1
190 1 13 VAL MG2 1 23 ILE MG . . 3.100 2.591 1.949 3.092 . 0 0 "[ . 1 . 2]" 1
191 1 13 VAL MG2 1 35 PHE QD . . 4.980 4.757 4.505 4.966 . 0 0 "[ . 1 . 2]" 1
192 1 13 VAL MG2 1 35 PHE QE . . 4.170 3.514 3.219 3.754 . 0 0 "[ . 1 . 2]" 1
193 1 13 VAL MG2 1 35 PHE HZ . . 4.170 3.211 2.931 3.526 . 0 0 "[ . 1 . 2]" 1
194 1 13 VAL MG2 1 46 LEU HB2 . . 4.170 3.327 2.633 4.170 . 0 0 "[ . 1 . 2]" 1
195 1 13 VAL MG2 1 46 LEU HB3 . . 3.580 2.524 1.951 2.892 . 0 0 "[ . 1 . 2]" 1
196 1 13 VAL MG2 1 46 LEU MD1 . . 3.310 2.777 2.404 3.259 . 0 0 "[ . 1 . 2]" 1
197 1 13 VAL MG2 1 47 GLN HA . . 5.500 5.059 4.705 5.441 . 0 0 "[ . 1 . 2]" 1
198 1 13 VAL MG2 1 48 ALA HA . . 4.980 4.701 4.479 4.975 . 0 0 "[ . 1 . 2]" 1
199 1 13 VAL MG2 1 50 ASP H . . 4.380 3.571 3.365 3.796 . 0 0 "[ . 1 . 2]" 1
200 1 13 VAL MG2 1 50 ASP HA . . 5.500 4.929 4.778 5.128 . 0 0 "[ . 1 . 2]" 1
201 1 13 VAL MG2 1 50 ASP HB2 . . 3.720 3.101 2.867 3.419 . 0 0 "[ . 1 . 2]" 1
202 1 13 VAL MG2 1 50 ASP HB3 . . 3.900 3.793 3.661 3.884 . 0 0 "[ . 1 . 2]" 1
203 1 13 VAL MG2 1 52 VAL MG1 . . 3.420 2.994 2.603 3.359 . 0 0 "[ . 1 . 2]" 1
204 1 13 VAL MG2 1 52 VAL MG2 . . 2.980 2.694 2.429 2.951 . 0 0 "[ . 1 . 2]" 1
205 1 14 GLU H 1 14 GLU HB2 . . 3.470 2.514 2.210 2.785 . 0 0 "[ . 1 . 2]" 1
206 1 14 GLU H 1 14 GLU HB3 . . 3.470 2.601 2.373 2.892 . 0 0 "[ . 1 . 2]" 1
207 1 14 GLU H 1 15 CYS H . . 3.250 2.756 2.546 2.952 . 0 0 "[ . 1 . 2]" 1
208 1 14 GLU H 1 23 ILE HA . . 3.350 2.710 2.232 3.117 . 0 0 "[ . 1 . 2]" 1
209 1 14 GLU H 1 24 ASN H . . 3.900 3.361 2.689 3.755 . 0 0 "[ . 1 . 2]" 1
210 1 14 GLU HA 1 14 GLU HG2 . . 3.900 3.143 2.268 3.800 . 0 0 "[ . 1 . 2]" 1
211 1 14 GLU HA 1 14 GLU QG . . 3.390 2.476 2.221 2.981 . 0 0 "[ . 1 . 2]" 1
212 1 14 GLU HA 1 14 GLU HG3 . . 3.900 2.729 2.265 3.535 . 0 0 "[ . 1 . 2]" 1
213 1 14 GLU HA 1 24 ASN HD21 . . 4.380 3.459 2.543 4.068 . 0 0 "[ . 1 . 2]" 1
214 1 14 GLU HA 1 24 ASN QD . . 3.650 2.605 2.261 3.090 . 0 0 "[ . 1 . 2]" 1
215 1 14 GLU HA 1 24 ASN HD22 . . 4.380 2.931 2.297 4.337 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLU HA 1 48 ALA MB . . 4.680 3.985 3.757 4.173 . 0 0 "[ . 1 . 2]" 1
217 1 14 GLU QB 1 15 CYS H . . 3.180 2.103 1.954 2.358 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLU QB 1 22 PHE HB2 . . 4.050 3.408 2.643 3.796 . 0 0 "[ . 1 . 2]" 1
219 1 14 GLU QB 1 24 ASN H . . 4.290 3.943 3.443 4.289 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLU QB 1 24 ASN QB . . 4.980 4.086 2.645 4.710 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLU QB 1 24 ASN QD . . 3.580 2.860 2.046 3.391 . 0 0 "[ . 1 . 2]" 1
222 1 14 GLU HB2 1 15 CYS H . . 3.690 3.534 3.364 3.689 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLU HB2 1 22 PHE HB3 . . 5.500 4.904 4.203 5.388 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLU HB3 1 15 CYS H . . 3.690 2.120 1.966 2.385 . 0 0 "[ . 1 . 2]" 1
225 1 14 GLU HB3 1 22 PHE HB3 . . 5.500 4.635 4.088 5.184 . 0 0 "[ . 1 . 2]" 1
226 1 14 GLU QG 1 15 CYS QB . . 4.330 3.158 2.409 4.285 . 0 0 "[ . 1 . 2]" 1
227 1 15 CYS H 1 22 PHE H . . 4.100 3.636 3.186 4.054 . 0 0 "[ . 1 . 2]" 1
228 1 15 CYS H 1 22 PHE HB2 . . 4.630 4.342 3.921 4.588 . 0 0 "[ . 1 . 2]" 1
229 1 15 CYS HA 1 16 VAL H . . 3.040 2.217 2.149 2.373 . 0 0 "[ . 1 . 2]" 1
230 1 15 CYS HA 1 48 ALA MB . . 3.900 2.138 1.978 2.487 . 0 0 "[ . 1 . 2]" 1
231 1 15 CYS QB 1 16 VAL H . . 3.250 3.094 2.854 3.240 . 0 0 "[ . 1 . 2]" 1
232 1 16 VAL H 1 16 VAL HB . . 3.650 2.762 2.679 2.913 . 0 0 "[ . 1 . 2]" 1
233 1 16 VAL H 1 16 VAL MG1 . . 4.170 3.903 3.870 3.958 . 0 0 "[ . 1 . 2]" 1
234 1 16 VAL H 1 16 VAL QG . . 3.310 2.758 2.522 2.901 . 0 0 "[ . 1 . 2]" 1
235 1 16 VAL H 1 16 VAL MG2 . . 4.170 2.821 2.555 2.990 . 0 0 "[ . 1 . 2]" 1
236 1 16 VAL H 1 48 ALA MB . . 4.380 3.306 2.881 3.736 . 0 0 "[ . 1 . 2]" 1
237 1 16 VAL HA 1 16 VAL MG1 . . 3.580 2.307 2.236 2.375 . 0 0 "[ . 1 . 2]" 1
238 1 16 VAL HA 1 16 VAL MG2 . . 3.580 2.354 2.297 2.411 . 0 0 "[ . 1 . 2]" 1
239 1 16 VAL HA 1 17 LYS H . . 2.980 2.263 2.140 2.401 . 0 0 "[ . 1 . 2]" 1
240 1 16 VAL HA 1 21 GLY HA2 . . 3.950 3.853 3.719 3.949 . 0 0 "[ . 1 . 2]" 1
241 1 16 VAL HA 1 21 GLY HA3 . . 3.900 3.332 3.097 3.579 . 0 0 "[ . 1 . 2]" 1
242 1 16 VAL HA 1 22 PHE H . . 4.650 4.507 4.315 4.646 . 0 0 "[ . 1 . 2]" 1
243 1 16 VAL HA 1 35 PHE HZ . . 5.270 4.688 4.100 5.159 . 0 0 "[ . 1 . 2]" 1
244 1 16 VAL HB 1 47 GLN HA . . 3.950 2.380 2.083 2.841 . 0 0 "[ . 1 . 2]" 1
245 1 16 VAL HB 1 48 ALA MB . . 5.500 4.993 4.519 5.458 . 0 0 "[ . 1 . 2]" 1
246 1 16 VAL QG 1 17 LYS H . . 3.480 3.166 2.616 3.462 . 0 0 "[ . 1 . 2]" 1
247 1 16 VAL QG 1 21 GLY HA2 . . 4.360 3.958 3.736 4.195 . 0 0 "[ . 1 . 2]" 1
248 1 16 VAL QG 1 21 GLY HA3 . . 3.640 2.969 2.757 3.325 . 0 0 "[ . 1 . 2]" 1
249 1 16 VAL QG 1 35 PHE HZ . . 3.570 2.381 1.891 2.702 . 0 0 "[ . 1 . 2]" 1
250 1 16 VAL QG 1 46 LEU HA . . 5.440 4.028 3.722 4.356 . 0 0 "[ . 1 . 2]" 1
251 1 16 VAL QG 1 46 LEU HB2 . . 3.700 2.376 1.960 2.773 . 0 0 "[ . 1 . 2]" 1
252 1 16 VAL QG 1 47 GLN H . . 4.390 3.677 3.150 4.018 . 0 0 "[ . 1 . 2]" 1
253 1 16 VAL QG 1 47 GLN HA . . 3.630 2.430 1.994 2.772 . 0 0 "[ . 1 . 2]" 1
254 1 16 VAL QG 1 47 GLN QB . . 4.530 3.968 3.666 4.226 . 0 0 "[ . 1 . 2]" 1
255 1 16 VAL QG 1 48 ALA H . . 3.850 3.680 3.418 3.845 . 0 0 "[ . 1 . 2]" 1
256 1 16 VAL QG 1 48 ALA HA . . 4.150 3.734 3.245 4.151 0.001 9 0 "[ . 1 . 2]" 1
257 1 16 VAL QG 1 48 ALA MB . . 4.750 4.044 3.674 4.314 . 0 0 "[ . 1 . 2]" 1
258 1 16 VAL MG1 1 17 LYS H . . 4.390 3.275 2.644 3.635 . 0 0 "[ . 1 . 2]" 1
259 1 16 VAL MG1 1 21 GLY HA2 . . 4.980 4.539 4.222 4.794 . 0 0 "[ . 1 . 2]" 1
260 1 16 VAL MG1 1 21 GLY HA3 . . 4.170 3.576 3.164 4.018 . 0 0 "[ . 1 . 2]" 1
261 1 16 VAL MG1 1 35 PHE QE . . 3.900 3.673 3.199 3.899 . 0 0 "[ . 1 . 2]" 1
262 1 16 VAL MG1 1 47 GLN HA . . 5.050 3.694 3.273 4.107 . 0 0 "[ . 1 . 2]" 1
263 1 16 VAL MG2 1 17 LYS H . . 4.390 4.263 4.149 4.351 . 0 0 "[ . 1 . 2]" 1
264 1 16 VAL MG2 1 21 GLY HA2 . . 4.980 4.366 4.099 4.633 . 0 0 "[ . 1 . 2]" 1
265 1 16 VAL MG2 1 21 GLY HA3 . . 4.170 3.184 2.903 3.547 . 0 0 "[ . 1 . 2]" 1
266 1 16 VAL MG2 1 35 PHE QE . . 3.900 3.431 3.055 3.786 . 0 0 "[ . 1 . 2]" 1
267 1 16 VAL MG2 1 47 GLN HA . . 5.050 2.473 2.004 2.818 . 0 0 "[ . 1 . 2]" 1
268 1 17 LYS H 1 17 LYS HB2 . . 4.070 2.840 2.284 3.803 . 0 0 "[ . 1 . 2]" 1
269 1 17 LYS H 1 17 LYS QB . . 3.540 2.555 2.258 3.124 . 0 0 "[ . 1 . 2]" 1
270 1 17 LYS H 1 17 LYS HB3 . . 4.070 3.228 2.465 3.820 . 0 0 "[ . 1 . 2]" 1
271 1 17 LYS H 1 17 LYS QD . . 4.450 4.156 2.790 4.449 . 0 0 "[ . 1 . 2]" 1
272 1 17 LYS H 1 17 LYS HG2 . . 4.680 3.806 2.033 4.668 . 0 0 "[ . 1 . 2]" 1
273 1 17 LYS H 1 17 LYS HG3 . . 4.680 3.740 2.867 4.677 . 0 0 "[ . 1 . 2]" 1
274 1 17 LYS H 1 21 GLY HA2 . . 4.650 4.530 4.305 4.651 0.001 6 0 "[ . 1 . 2]" 1
275 1 17 LYS H 1 21 GLY HA3 . . 4.920 4.772 4.469 4.919 . 0 0 "[ . 1 . 2]" 1
276 1 17 LYS HA 1 17 LYS HD2 . . 5.410 4.088 2.481 5.065 . 0 0 "[ . 1 . 2]" 1
277 1 17 LYS HA 1 17 LYS QD . . 4.620 3.550 2.136 4.305 . 0 0 "[ . 1 . 2]" 1
278 1 17 LYS HA 1 17 LYS HD3 . . 5.410 4.057 2.157 5.409 . 0 0 "[ . 1 . 2]" 1
279 1 17 LYS HA 1 17 LYS HG2 . . 4.170 3.113 2.239 3.820 . 0 0 "[ . 1 . 2]" 1
280 1 17 LYS HA 1 17 LYS HG3 . . 4.170 3.101 2.261 3.857 . 0 0 "[ . 1 . 2]" 1
281 1 17 LYS QB 1 18 ASP H . . 3.650 2.562 2.114 3.366 . 0 0 "[ . 1 . 2]" 1
282 1 17 LYS QB 1 18 ASP HA . . 4.340 4.089 3.755 4.299 . 0 0 "[ . 1 . 2]" 1
283 1 17 LYS HB2 1 18 ASP H . . 4.380 3.110 2.145 3.844 . 0 0 "[ . 1 . 2]" 1
284 1 17 LYS HB3 1 18 ASP H . . 4.380 3.104 2.143 4.015 . 0 0 "[ . 1 . 2]" 1
285 1 18 ASP QB 1 19 GLN H . . 3.650 2.267 2.198 2.935 . 0 0 "[ . 1 . 2]" 1
286 1 18 ASP HB2 1 19 GLN H . . 4.380 3.484 3.147 3.861 . 0 0 "[ . 1 . 2]" 1
287 1 18 ASP HB3 1 19 GLN H . . 4.380 2.302 2.220 3.042 . 0 0 "[ . 1 . 2]" 1
288 1 19 GLN H 1 19 GLN QG . . 4.980 2.911 1.989 4.008 . 0 0 "[ . 1 . 2]" 1
289 1 19 GLN H 1 20 PHE H . . 3.650 2.760 2.755 2.766 . 0 0 "[ . 1 . 2]" 1
290 1 19 GLN HA 1 19 GLN HG2 . . 4.170 3.156 2.366 3.664 . 0 0 "[ . 1 . 2]" 1
291 1 19 GLN HA 1 19 GLN QG . . 3.540 2.487 2.148 3.338 . 0 0 "[ . 1 . 2]" 1
292 1 19 GLN HA 1 19 GLN HG3 . . 4.170 2.782 2.169 3.943 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLN HA 1 37 VAL HB . . 5.220 4.983 4.748 5.213 . 0 0 "[ . 1 . 2]" 1
294 1 19 GLN HA 1 37 VAL MG1 . . 3.720 2.154 1.939 2.399 . 0 0 "[ . 1 . 2]" 1
295 1 19 GLN HA 1 37 VAL MG2 . . 3.470 3.464 3.427 3.474 0.004 9 0 "[ . 1 . 2]" 1
296 1 19 GLN QB 1 20 PHE QD . . 3.900 3.024 2.735 3.901 0.001 16 0 "[ . 1 . 2]" 1
297 1 19 GLN QB 1 37 VAL MG1 . . 4.410 2.891 2.094 3.787 . 0 0 "[ . 1 . 2]" 1
298 1 19 GLN QB 1 37 VAL MG2 . . 4.090 2.655 1.962 3.798 . 0 0 "[ . 1 . 2]" 1
299 1 19 GLN HB2 1 20 PHE QD . . 4.680 3.337 2.869 4.243 . 0 0 "[ . 1 . 2]" 1
300 1 19 GLN HB3 1 20 PHE QD . . 4.680 3.879 2.772 4.651 . 0 0 "[ . 1 . 2]" 1
301 1 19 GLN QG 1 37 VAL MG1 . . 4.670 2.866 2.184 3.883 . 0 0 "[ . 1 . 2]" 1
302 1 19 GLN QG 1 37 VAL MG2 . . 4.080 2.855 1.892 4.015 . 0 0 "[ . 1 . 2]" 1
303 1 19 GLN HG2 1 37 VAL MG2 . . 4.680 3.367 2.081 4.681 0.001 6 0 "[ . 1 . 2]" 1
304 1 19 GLN HG3 1 37 VAL MG2 . . 4.680 3.427 1.914 4.574 . 0 0 "[ . 1 . 2]" 1
305 1 20 PHE H 1 20 PHE QD . . 4.380 2.564 2.372 2.915 . 0 0 "[ . 1 . 2]" 1
306 1 20 PHE H 1 37 VAL MG1 . . 4.650 4.510 4.354 4.644 . 0 0 "[ . 1 . 2]" 1
307 1 20 PHE QB 1 21 GLY H . . 3.430 3.031 2.879 3.125 . 0 0 "[ . 1 . 2]" 1
308 1 20 PHE HB2 1 21 GLY H . . 4.170 3.125 2.960 3.228 . 0 0 "[ . 1 . 2]" 1
309 1 20 PHE HB2 1 34 PHE QE . . 4.170 2.043 1.998 2.221 . 0 0 "[ . 1 . 2]" 1
310 1 20 PHE HB2 1 34 PHE HZ . . 4.680 3.533 2.479 4.309 . 0 0 "[ . 1 . 2]" 1
311 1 20 PHE HB2 1 36 HIS HA . . 4.680 4.119 3.646 4.583 . 0 0 "[ . 1 . 2]" 1
312 1 20 PHE HB3 1 21 GLY H . . 4.170 4.088 3.935 4.171 0.001 9 0 "[ . 1 . 2]" 1
313 1 20 PHE HB3 1 34 PHE QE . . 4.170 3.067 2.412 3.648 . 0 0 "[ . 1 . 2]" 1
314 1 20 PHE HB3 1 34 PHE HZ . . 4.680 3.514 2.844 4.120 . 0 0 "[ . 1 . 2]" 1
315 1 20 PHE HB3 1 36 HIS HA . . 4.680 3.653 3.080 3.914 . 0 0 "[ . 1 . 2]" 1
316 1 20 PHE QD 1 21 GLY H . . 4.170 4.118 3.932 4.171 0.001 6 0 "[ . 1 . 2]" 1
317 1 20 PHE QD 1 21 GLY HA2 . . 4.680 3.785 3.640 4.027 . 0 0 "[ . 1 . 2]" 1
318 1 20 PHE QD 1 21 GLY HA3 . . 5.220 5.095 4.998 5.181 . 0 0 "[ . 1 . 2]" 1
319 1 20 PHE QD 1 36 HIS HA . . 5.500 5.315 4.889 5.495 . 0 0 "[ . 1 . 2]" 1
320 1 21 GLY H 1 22 PHE H . . 4.650 4.424 4.363 4.470 . 0 0 "[ . 1 . 2]" 1
321 1 21 GLY H 1 35 PHE QE . . 4.520 3.764 3.349 4.323 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLY HA2 1 22 PHE H . . 3.350 2.565 2.434 2.687 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLY HA2 1 35 PHE QE . . 5.500 4.306 3.814 4.648 . 0 0 "[ . 1 . 2]" 1
324 1 21 GLY HA3 1 22 PHE H . . 3.350 2.562 2.445 2.699 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLY HA3 1 22 PHE QD . . 5.280 4.592 4.188 4.995 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLY HA3 1 35 PHE QE . . 4.170 3.028 2.426 3.495 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLY HA3 1 35 PHE HZ . . 4.680 3.266 2.794 3.584 . 0 0 "[ . 1 . 2]" 1
328 1 22 PHE H 1 22 PHE HB2 . . 3.650 2.644 2.511 2.815 . 0 0 "[ . 1 . 2]" 1
329 1 22 PHE H 1 22 PHE QD . . 3.900 3.021 2.547 3.493 . 0 0 "[ . 1 . 2]" 1
330 1 22 PHE H 1 35 PHE QE . . 3.900 3.216 2.671 3.665 . 0 0 "[ . 1 . 2]" 1
331 1 22 PHE HA 1 22 PHE QD . . 3.900 2.876 2.541 3.108 . 0 0 "[ . 1 . 2]" 1
332 1 22 PHE HA 1 23 ILE H . . 3.310 2.219 2.165 2.391 . 0 0 "[ . 1 . 2]" 1
333 1 22 PHE HA 1 23 ILE HG13 . . 4.680 3.498 3.353 3.595 . 0 0 "[ . 1 . 2]" 1
334 1 22 PHE HA 1 34 PHE HA . . 4.170 3.119 2.661 3.694 . 0 0 "[ . 1 . 2]" 1
335 1 22 PHE HA 1 35 PHE H . . 4.680 4.006 3.249 4.680 . 0 0 "[ . 1 . 2]" 1
336 1 22 PHE HA 1 35 PHE QD . . 4.170 3.287 2.647 3.689 . 0 0 "[ . 1 . 2]" 1
337 1 22 PHE HB2 1 23 ILE H . . 4.680 4.044 3.598 4.247 . 0 0 "[ . 1 . 2]" 1
338 1 22 PHE HB2 1 32 LYS QB . . 4.380 3.767 3.392 4.105 . 0 0 "[ . 1 . 2]" 1
339 1 22 PHE HB3 1 23 ILE H . . 4.680 2.989 2.471 3.203 . 0 0 "[ . 1 . 2]" 1
340 1 22 PHE HB3 1 32 LYS HB2 . . 4.170 3.098 2.069 4.159 . 0 0 "[ . 1 . 2]" 1
341 1 22 PHE HB3 1 32 LYS QB . . 3.580 2.296 1.986 2.643 . 0 0 "[ . 1 . 2]" 1
342 1 22 PHE HB3 1 32 LYS HB3 . . 4.170 2.630 2.006 3.718 . 0 0 "[ . 1 . 2]" 1
343 1 22 PHE HB3 1 32 LYS QG . . 4.780 3.336 2.175 4.385 . 0 0 "[ . 1 . 2]" 1
344 1 22 PHE HB3 1 33 LEU H . . 4.380 3.838 3.271 4.341 . 0 0 "[ . 1 . 2]" 1
345 1 22 PHE QD 1 32 LYS HB2 . . 4.170 3.254 2.352 4.107 . 0 0 "[ . 1 . 2]" 1
346 1 22 PHE QD 1 32 LYS HB3 . . 4.170 3.408 2.479 4.170 . 6 0 "[ . 1 . 2]" 1
347 1 22 PHE QD 1 34 PHE QB . . 5.330 3.712 2.844 4.298 . 0 0 "[ . 1 . 2]" 1
348 1 22 PHE QE 1 34 PHE QB . . 4.440 3.298 2.598 4.230 . 0 0 "[ . 1 . 2]" 1
349 1 22 PHE QE 1 34 PHE QD . . 4.680 3.357 2.538 4.053 . 0 0 "[ . 1 . 2]" 1
350 1 23 ILE H 1 23 ILE HB . . 3.720 2.622 2.560 2.725 . 0 0 "[ . 1 . 2]" 1
351 1 23 ILE H 1 23 ILE MD . . 4.680 3.810 3.737 4.019 . 0 0 "[ . 1 . 2]" 1
352 1 23 ILE H 1 23 ILE HG13 . . 4.680 2.498 2.359 2.843 . 0 0 "[ . 1 . 2]" 1
353 1 23 ILE H 1 23 ILE MG . . 4.680 3.838 3.815 3.885 . 0 0 "[ . 1 . 2]" 1
354 1 23 ILE H 1 33 LEU H . . 4.380 2.463 2.078 2.868 . 0 0 "[ . 1 . 2]" 1
355 1 23 ILE HA 1 23 ILE MD . . 4.680 3.866 3.842 3.880 . 0 0 "[ . 1 . 2]" 1
356 1 23 ILE HA 1 23 ILE HG12 . . 3.900 2.612 2.564 2.646 . 0 0 "[ . 1 . 2]" 1
357 1 23 ILE HA 1 23 ILE HG13 . . 4.170 3.054 2.933 3.151 . 0 0 "[ . 1 . 2]" 1
358 1 23 ILE HA 1 23 ILE MG . . 3.720 2.318 2.263 2.371 . 0 0 "[ . 1 . 2]" 1
359 1 23 ILE HA 1 24 ASN H . . 3.040 2.234 2.195 2.265 . 0 0 "[ . 1 . 2]" 1
360 1 23 ILE HB 1 23 ILE MD . . 3.470 2.320 2.237 2.421 . 0 0 "[ . 1 . 2]" 1
361 1 23 ILE HB 1 33 LEU H . . 4.380 3.035 2.709 3.571 . 0 0 "[ . 1 . 2]" 1
362 1 23 ILE HB 1 33 LEU QB . . 3.490 2.146 1.937 2.456 . 0 0 "[ . 1 . 2]" 1
363 1 23 ILE HB 1 33 LEU QD . . 4.150 3.250 2.642 3.820 . 0 0 "[ . 1 . 2]" 1
364 1 23 ILE MD 1 23 ILE MG . . 3.030 2.061 1.941 2.162 . 0 0 "[ . 1 . 2]" 1
365 1 23 ILE MD 1 24 ASN H . . 4.980 4.880 4.800 4.979 . 0 0 "[ . 1 . 2]" 1
366 1 23 ILE MD 1 33 LEU QD . . 3.650 2.389 1.967 3.413 . 0 0 "[ . 1 . 2]" 1
367 1 23 ILE MD 1 33 LEU HG . . 4.680 3.865 3.501 4.503 . 0 0 "[ . 1 . 2]" 1
368 1 23 ILE MD 1 35 PHE HB2 . . 4.680 3.970 3.567 4.348 . 0 0 "[ . 1 . 2]" 1
369 1 23 ILE MD 1 35 PHE QB . . 3.900 2.887 2.503 3.362 . 0 0 "[ . 1 . 2]" 1
370 1 23 ILE MD 1 35 PHE HB3 . . 4.680 2.967 2.549 3.499 . 0 0 "[ . 1 . 2]" 1
371 1 23 ILE MD 1 35 PHE QD . . 3.580 2.882 2.486 3.192 . 0 0 "[ . 1 . 2]" 1
372 1 23 ILE MD 1 35 PHE QE . . 4.170 3.553 3.208 3.882 . 0 0 "[ . 1 . 2]" 1
373 1 23 ILE MD 1 52 VAL MG2 . . 3.310 2.652 2.308 3.020 . 0 0 "[ . 1 . 2]" 1
374 1 23 ILE MD 1 54 PHE HB2 . . 5.260 4.703 4.327 5.099 . 0 0 "[ . 1 . 2]" 1
375 1 23 ILE MD 1 54 PHE HB3 . . 5.470 4.108 3.759 4.447 . 0 0 "[ . 1 . 2]" 1
376 1 23 ILE MD 1 54 PHE QD . . 4.170 2.910 2.516 3.213 . 0 0 "[ . 1 . 2]" 1
377 1 23 ILE MD 1 54 PHE QE . . 4.580 2.564 2.223 3.005 . 0 0 "[ . 1 . 2]" 1
378 1 23 ILE MD 1 67 ALA MB . . 3.140 2.804 2.340 3.088 . 0 0 "[ . 1 . 2]" 1
379 1 23 ILE MD 1 70 VAL MG1 . . 3.900 3.229 2.855 3.739 . 0 0 "[ . 1 . 2]" 1
380 1 23 ILE MD 1 70 VAL MG2 . . 3.900 3.215 2.915 3.529 . 0 0 "[ . 1 . 2]" 1
381 1 23 ILE HG12 1 23 ILE MG . . 3.720 2.377 2.331 2.404 . 0 0 "[ . 1 . 2]" 1
382 1 23 ILE HG12 1 35 PHE QD . . 4.170 3.825 3.317 4.160 . 0 0 "[ . 1 . 2]" 1
383 1 23 ILE HG12 1 35 PHE QE . . 4.230 3.091 2.756 3.574 . 0 0 "[ . 1 . 2]" 1
384 1 23 ILE HG13 1 35 PHE QD . . 3.580 2.447 2.143 2.935 . 0 0 "[ . 1 . 2]" 1
385 1 23 ILE HG13 1 35 PHE QE . . 3.900 2.598 2.237 3.127 . 0 0 "[ . 1 . 2]" 1
386 1 23 ILE MG 1 24 ASN H . . 3.350 2.196 1.978 2.348 . 0 0 "[ . 1 . 2]" 1
387 1 23 ILE MG 1 24 ASN QB . . 4.570 3.512 3.404 3.633 . 0 0 "[ . 1 . 2]" 1
388 1 23 ILE MG 1 25 TYR H . . 4.550 3.407 2.962 3.795 . 0 0 "[ . 1 . 2]" 1
389 1 23 ILE MG 1 25 TYR HB2 . . 3.720 2.601 2.210 2.852 . 0 0 "[ . 1 . 2]" 1
390 1 23 ILE MG 1 25 TYR QB . . 3.190 2.508 2.145 2.759 . 0 0 "[ . 1 . 2]" 1
391 1 23 ILE MG 1 25 TYR HB3 . . 3.720 3.303 2.904 3.708 . 0 0 "[ . 1 . 2]" 1
392 1 23 ILE MG 1 25 TYR QD . . 4.680 4.277 4.014 4.494 . 0 0 "[ . 1 . 2]" 1
393 1 23 ILE MG 1 33 LEU H . . 5.330 4.182 3.782 4.829 . 0 0 "[ . 1 . 2]" 1
394 1 23 ILE MG 1 33 LEU HB2 . . 5.440 4.028 3.711 4.535 . 0 0 "[ . 1 . 2]" 1
395 1 23 ILE MG 1 33 LEU QB . . 4.720 3.460 3.271 3.715 . 0 0 "[ . 1 . 2]" 1
396 1 23 ILE MG 1 33 LEU HB3 . . 5.440 3.779 3.607 3.970 . 0 0 "[ . 1 . 2]" 1
397 1 23 ILE MG 1 54 PHE QD . . 4.170 3.882 3.523 4.166 . 0 0 "[ . 1 . 2]" 1
398 1 23 ILE MG 1 54 PHE QE . . 3.720 2.171 1.989 2.546 . 0 0 "[ . 1 . 2]" 1
399 1 23 ILE MG 1 54 PHE HZ . . 4.170 3.216 2.770 3.744 . 0 0 "[ . 1 . 2]" 1
400 1 24 ASN H 1 24 ASN HB2 . . 3.690 2.337 2.190 2.531 . 0 0 "[ . 1 . 2]" 1
401 1 24 ASN H 1 24 ASN QB . . 3.050 2.296 2.169 2.484 . 0 0 "[ . 1 . 2]" 1
402 1 24 ASN H 1 24 ASN HB3 . . 3.690 3.457 2.834 3.610 . 0 0 "[ . 1 . 2]" 1
403 1 24 ASN H 1 24 ASN QD . . 4.290 3.592 3.203 4.289 . 0 0 "[ . 1 . 2]" 1
404 1 24 ASN HA 1 25 TYR H . . 3.120 2.422 2.326 2.576 . 0 0 "[ . 1 . 2]" 1
405 1 24 ASN QB 1 24 ASN QD . . 2.940 2.101 2.066 2.177 . 0 0 "[ . 1 . 2]" 1
406 1 24 ASN QB 1 25 TYR H . . 4.290 3.892 3.826 3.987 . 0 0 "[ . 1 . 2]" 1
407 1 24 ASN HB2 1 24 ASN HD22 . . 3.900 3.459 3.436 3.515 . 0 0 "[ . 1 . 2]" 1
408 1 24 ASN HB3 1 24 ASN HD22 . . 3.900 3.829 3.717 3.900 . 0 0 "[ . 1 . 2]" 1
409 1 25 TYR H 1 25 TYR HB2 . . 3.900 3.191 3.033 3.319 . 0 0 "[ . 1 . 2]" 1
410 1 25 TYR H 1 25 TYR QB . . 3.350 2.687 2.528 2.821 . 0 0 "[ . 1 . 2]" 1
411 1 25 TYR H 1 25 TYR HB3 . . 3.900 2.895 2.706 3.119 . 0 0 "[ . 1 . 2]" 1
412 1 25 TYR H 1 26 GLU H . . 4.650 4.261 4.038 4.476 . 0 0 "[ . 1 . 2]" 1
413 1 25 TYR H 1 33 LEU H . . 3.900 3.192 2.769 3.833 . 0 0 "[ . 1 . 2]" 1
414 1 25 TYR HA 1 25 TYR QD . . 3.580 2.485 2.214 2.781 . 0 0 "[ . 1 . 2]" 1
415 1 25 TYR HA 1 25 TYR QE . . 4.680 4.464 4.347 4.616 . 0 0 "[ . 1 . 2]" 1
416 1 25 TYR HA 1 26 GLU H . . 2.730 2.191 2.140 2.317 . 0 0 "[ . 1 . 2]" 1
417 1 25 TYR QB 1 26 GLU H . . 4.290 3.650 3.395 3.807 . 0 0 "[ . 1 . 2]" 1
418 1 25 TYR QB 1 27 VAL MG2 . . 4.860 4.733 4.593 4.860 . 0 0 "[ . 1 . 2]" 1
419 1 25 TYR QB 1 33 LEU QB . . 3.860 2.646 2.015 3.117 . 0 0 "[ . 1 . 2]" 1
420 1 25 TYR QB 1 33 LEU QD . . 3.870 3.069 2.681 3.356 . 0 0 "[ . 1 . 2]" 1
421 1 25 TYR QB 1 54 PHE HZ . . 3.900 2.490 2.090 2.886 . 0 0 "[ . 1 . 2]" 1
422 1 25 TYR HB2 1 54 PHE HZ . . 4.680 2.764 2.177 3.399 . 0 0 "[ . 1 . 2]" 1
423 1 25 TYR HB3 1 54 PHE HZ . . 4.680 2.895 2.579 3.136 . 0 0 "[ . 1 . 2]" 1
424 1 25 TYR QD 1 26 GLU H . . 3.900 3.307 2.782 3.677 . 0 0 "[ . 1 . 2]" 1
425 1 25 TYR QD 1 27 VAL HB . . 4.980 4.903 4.631 4.980 . 0 0 "[ . 1 . 2]" 1
426 1 25 TYR QD 1 27 VAL MG1 . . 3.470 2.059 1.903 2.184 . 0 0 "[ . 1 . 2]" 1
427 1 25 TYR QD 1 27 VAL MG2 . . 3.950 3.855 3.698 3.947 . 0 0 "[ . 1 . 2]" 1
428 1 25 TYR QD 1 33 LEU QB . . 4.100 3.491 2.968 4.069 . 0 0 "[ . 1 . 2]" 1
429 1 25 TYR QD 1 33 LEU MD1 . . 4.170 3.408 2.880 4.158 . 0 0 "[ . 1 . 2]" 1
430 1 25 TYR QD 1 33 LEU QD . . 3.380 2.840 1.973 3.281 . 0 0 "[ . 1 . 2]" 1
431 1 25 TYR QD 1 33 LEU MD2 . . 4.170 3.101 1.976 3.612 . 0 0 "[ . 1 . 2]" 1
432 1 25 TYR QD 1 54 PHE QE . . 4.170 3.152 2.306 3.606 . 0 0 "[ . 1 . 2]" 1
433 1 25 TYR QD 1 54 PHE HZ . . 4.170 3.012 2.349 3.454 . 0 0 "[ . 1 . 2]" 1
434 1 25 TYR QD 1 56 VAL QG . . 4.150 3.936 3.499 4.149 . 0 0 "[ . 1 . 2]" 1
435 1 25 TYR QE 1 27 VAL HB . . 4.430 4.393 4.302 4.429 . 0 0 "[ . 1 . 2]" 1
436 1 25 TYR QE 1 27 VAL MG1 . . 3.720 2.001 1.933 2.115 . 0 0 "[ . 1 . 2]" 1
437 1 25 TYR QE 1 27 VAL MG2 . . 4.630 4.537 4.418 4.630 . 0 0 "[ . 1 . 2]" 1
438 1 25 TYR QE 1 33 LEU QD . . 4.640 4.009 3.198 4.524 . 0 0 "[ . 1 . 2]" 1
439 1 25 TYR QE 1 54 PHE QE . . 4.680 3.488 3.023 4.088 . 0 0 "[ . 1 . 2]" 1
440 1 25 TYR QE 1 56 VAL QG . . 3.460 2.765 1.989 3.331 . 0 0 "[ . 1 . 2]" 1
441 1 26 GLU H 1 26 GLU HB2 . . 3.250 2.712 2.503 3.109 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLU H 1 26 GLU HB3 . . 3.250 2.660 2.432 2.858 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLU H 1 26 GLU HG2 . . 4.650 4.489 4.360 4.610 . 0 0 "[ . 1 . 2]" 1
444 1 26 GLU H 1 26 GLU HG3 . . 4.650 4.545 4.452 4.644 . 0 0 "[ . 1 . 2]" 1
445 1 26 GLU HA 1 27 VAL H . . 2.730 2.150 2.138 2.198 . 0 0 "[ . 1 . 2]" 1
446 1 26 GLU HA 1 27 VAL MG1 . . 4.680 3.873 3.726 4.070 . 0 0 "[ . 1 . 2]" 1
447 1 26 GLU HA 1 27 VAL MG2 . . 4.680 3.657 3.420 3.818 . 0 0 "[ . 1 . 2]" 1
448 1 26 GLU HA 1 31 LYS HA . . 3.580 2.992 2.002 3.523 . 0 0 "[ . 1 . 2]" 1
449 1 26 GLU QB 1 27 VAL H . . 4.010 3.753 3.558 3.869 . 0 0 "[ . 1 . 2]" 1
450 1 26 GLU QB 1 27 VAL HA . . 5.150 4.480 4.288 4.695 . 0 0 "[ . 1 . 2]" 1
451 1 26 GLU QB 1 31 LYS HA . . 4.440 3.265 1.994 4.255 . 0 0 "[ . 1 . 2]" 1
452 1 26 GLU HB2 1 27 VAL H . . 4.630 4.341 4.196 4.477 . 0 0 "[ . 1 . 2]" 1
453 1 26 GLU HB3 1 27 VAL H . . 4.630 4.118 3.816 4.369 . 0 0 "[ . 1 . 2]" 1
454 1 26 GLU QG 1 27 VAL HA . . 4.740 4.150 3.729 4.740 . 0 0 "[ . 1 . 2]" 1
455 1 26 GLU QG 1 31 LYS HA . . 3.660 2.578 2.049 3.086 . 0 0 "[ . 1 . 2]" 1
456 1 26 GLU HG2 1 27 VAL H . . 4.680 3.180 2.614 3.838 . 0 0 "[ . 1 . 2]" 1
457 1 26 GLU HG2 1 31 LYS HA . . 4.430 3.899 2.066 4.408 . 0 0 "[ . 1 . 2]" 1
458 1 26 GLU HG3 1 27 VAL H . . 4.680 3.499 2.782 4.338 . 0 0 "[ . 1 . 2]" 1
459 1 26 GLU HG3 1 31 LYS HA . . 4.430 2.728 2.139 3.384 . 0 0 "[ . 1 . 2]" 1
460 1 27 VAL H 1 27 VAL HB . . 3.900 3.758 3.685 3.819 . 0 0 "[ . 1 . 2]" 1
461 1 27 VAL H 1 27 VAL MG1 . . 3.900 2.965 2.754 3.118 . 0 0 "[ . 1 . 2]" 1
462 1 27 VAL H 1 27 VAL MG2 . . 3.900 2.074 1.950 2.289 . 0 0 "[ . 1 . 2]" 1
463 1 27 VAL H 1 28 GLY H . . 4.380 2.320 1.900 2.879 . 0 0 "[ . 1 . 2]" 1
464 1 27 VAL H 1 28 GLY QA . . 4.570 4.162 3.924 4.377 . 0 0 "[ . 1 . 2]" 1
465 1 27 VAL HA 1 27 VAL MG1 . . 3.390 2.298 2.156 2.383 . 0 0 "[ . 1 . 2]" 1
466 1 27 VAL HA 1 27 VAL MG2 . . 3.580 3.191 3.182 3.203 . 0 0 "[ . 1 . 2]" 1
467 1 27 VAL HA 1 28 GLY H . . 3.560 3.151 2.745 3.540 . 0 0 "[ . 1 . 2]" 1
468 1 27 VAL MG1 1 28 GLY H . . 4.680 4.221 3.971 4.376 . 0 0 "[ . 1 . 2]" 1
469 1 27 VAL MG1 1 33 LEU QB . . 4.380 3.857 3.338 4.247 . 0 0 "[ . 1 . 2]" 1
470 1 27 VAL MG1 1 33 LEU QD . . 4.150 2.362 1.769 2.816 . 0 0 "[ . 1 . 2]" 1
471 1 27 VAL MG1 1 65 CYS QB . . 4.570 3.756 2.749 4.259 . 0 0 "[ . 1 . 2]" 1
472 1 27 VAL MG2 1 28 GLY H . . 4.420 2.925 2.023 3.789 . 0 0 "[ . 1 . 2]" 1
473 1 27 VAL MG2 1 28 GLY QA . . 4.570 3.547 2.956 4.083 . 0 0 "[ . 1 . 2]" 1
474 1 27 VAL MG2 1 33 LEU QB . . 4.340 4.170 3.883 4.339 . 0 0 "[ . 1 . 2]" 1
475 1 27 VAL MG2 1 33 LEU QD . . 4.400 2.458 1.892 3.074 . 0 0 "[ . 1 . 2]" 1
476 1 27 VAL MG2 1 65 CYS HB2 . . 4.170 3.033 2.198 4.005 . 0 0 "[ . 1 . 2]" 1
477 1 27 VAL MG2 1 65 CYS HB3 . . 4.170 3.664 2.237 4.145 . 0 0 "[ . 1 . 2]" 1
478 1 29 ASP H 1 30 SER H . . 3.900 2.550 1.928 3.081 . 0 0 "[ . 1 . 2]" 1
479 1 30 SER H 1 30 SER HB2 . . 3.650 2.775 2.237 3.645 . 0 0 "[ . 1 . 2]" 1
480 1 30 SER H 1 30 SER HB3 . . 3.650 3.178 2.530 3.646 . 0 0 "[ . 1 . 2]" 1
481 1 30 SER HA 1 32 LYS H . . 4.380 3.874 3.479 4.308 . 0 0 "[ . 1 . 2]" 1
482 1 31 LYS H 1 32 LYS H . . 3.650 2.484 1.902 2.830 . 0 0 "[ . 1 . 2]" 1
483 1 31 LYS HA 1 31 LYS HG2 . . 4.170 2.773 2.283 3.638 . 0 0 "[ . 1 . 2]" 1
484 1 31 LYS HA 1 31 LYS QG . . 3.580 2.547 2.233 3.390 . 0 0 "[ . 1 . 2]" 1
485 1 31 LYS HA 1 31 LYS HG3 . . 4.170 3.072 2.536 4.174 0.004 4 0 "[ . 1 . 2]" 1
486 1 31 LYS QB 1 32 LYS H . . 3.780 3.180 2.421 3.745 . 0 0 "[ . 1 . 2]" 1
487 1 31 LYS HB2 1 32 LYS H . . 4.380 3.635 2.479 4.385 0.005 10 0 "[ . 1 . 2]" 1
488 1 31 LYS HB3 1 32 LYS H . . 4.380 3.721 2.812 4.352 . 0 0 "[ . 1 . 2]" 1
489 1 32 LYS H 1 32 LYS QB . . 3.320 2.709 2.245 3.264 . 0 0 "[ . 1 . 2]" 1
490 1 32 LYS H 1 32 LYS QD . . 4.930 3.428 1.982 4.895 . 0 0 "[ . 1 . 2]" 1
491 1 32 LYS H 1 32 LYS QG . . 3.720 3.099 2.227 3.717 . 0 0 "[ . 1 . 2]" 1
492 1 32 LYS HA 1 32 LYS QD . . 4.090 3.726 3.253 4.090 0.000 8 0 "[ . 1 . 2]" 1
493 1 32 LYS HA 1 33 LEU H . . 3.250 2.392 2.190 2.525 . 0 0 "[ . 1 . 2]" 1
494 1 32 LYS QB 1 33 LEU H . . 3.380 2.452 2.196 2.986 . 0 0 "[ . 1 . 2]" 1
495 1 32 LYS QE 1 32 LYS QG . . 3.340 2.217 2.095 2.512 . 0 0 "[ . 1 . 2]" 1
496 1 33 LEU H 1 33 LEU HB2 . . 3.860 2.627 2.502 2.894 . 0 0 "[ . 1 . 2]" 1
497 1 33 LEU H 1 33 LEU QB . . 3.290 2.393 2.340 2.505 . 0 0 "[ . 1 . 2]" 1
498 1 33 LEU H 1 33 LEU HB3 . . 3.860 2.771 2.610 2.935 . 0 0 "[ . 1 . 2]" 1
499 1 33 LEU H 1 33 LEU QD . . 4.640 3.722 3.618 3.866 . 0 0 "[ . 1 . 2]" 1
500 1 33 LEU HA 1 33 LEU QD . . 3.880 2.064 1.949 2.211 . 0 0 "[ . 1 . 2]" 1
501 1 33 LEU QD 1 34 PHE H . . 4.150 2.475 1.961 3.171 . 0 0 "[ . 1 . 2]" 1
502 1 33 LEU QD 1 54 PHE QD . . 3.570 3.136 2.907 3.540 . 0 0 "[ . 1 . 2]" 1
503 1 33 LEU QD 1 54 PHE QE . . 3.570 2.482 2.234 2.758 . 0 0 "[ . 1 . 2]" 1
504 1 33 LEU QD 1 54 PHE HZ . . 4.640 2.849 2.314 3.811 . 0 0 "[ . 1 . 2]" 1
505 1 33 LEU QD 1 56 VAL QG . . 3.420 3.179 2.853 3.409 . 0 0 "[ . 1 . 2]" 1
506 1 33 LEU QD 1 65 CYS QB . . 3.290 2.941 2.392 3.277 . 0 0 "[ . 1 . 2]" 1
507 1 33 LEU QD 1 66 SER H . . 3.880 3.650 3.313 3.877 . 0 0 "[ . 1 . 2]" 1
508 1 33 LEU QD 1 66 SER HA . . 3.700 2.698 2.004 3.155 . 0 0 "[ . 1 . 2]" 1
509 1 33 LEU QD 1 67 ALA HA . . 4.640 3.024 2.681 3.412 . 0 0 "[ . 1 . 2]" 1
510 1 33 LEU QD 1 67 ALA MB . . 2.910 2.065 1.853 2.458 . 0 0 "[ . 1 . 2]" 1
511 1 33 LEU MD1 1 65 CYS HB2 . . 5.500 3.234 2.442 4.592 . 0 0 "[ . 1 . 2]" 1
512 1 33 LEU MD1 1 65 CYS HB3 . . 5.500 3.761 3.074 4.582 . 0 0 "[ . 1 . 2]" 1
513 1 33 LEU MD2 1 65 CYS HB2 . . 5.500 5.019 3.818 5.500 0.000 6 0 "[ . 1 . 2]" 1
514 1 33 LEU MD2 1 65 CYS HB3 . . 5.500 5.236 3.935 5.500 . 0 0 "[ . 1 . 2]" 1
515 1 33 LEU HG 1 66 SER HA . . 4.680 3.134 2.374 4.532 . 0 0 "[ . 1 . 2]" 1
516 1 33 LEU HG 1 67 ALA H . . 4.380 3.584 3.065 4.375 . 0 0 "[ . 1 . 2]" 1
517 1 33 LEU HG 1 67 ALA MB . . 3.720 3.241 2.893 3.503 . 0 0 "[ . 1 . 2]" 1
518 1 34 PHE H 1 34 PHE HB2 . . 4.170 3.112 2.824 3.254 . 0 0 "[ . 1 . 2]" 1
519 1 34 PHE H 1 34 PHE QB . . 3.580 2.447 2.260 2.524 . 0 0 "[ . 1 . 2]" 1
520 1 34 PHE H 1 34 PHE HB3 . . 4.170 2.563 2.378 2.725 . 0 0 "[ . 1 . 2]" 1
521 1 34 PHE H 1 34 PHE QD . . 4.680 4.237 4.118 4.350 . 0 0 "[ . 1 . 2]" 1
522 1 34 PHE HA 1 35 PHE H . . 3.250 2.182 2.140 2.253 . 0 0 "[ . 1 . 2]" 1
523 1 34 PHE HB2 1 35 PHE H . . 4.380 4.095 3.911 4.293 . 0 0 "[ . 1 . 2]" 1
524 1 34 PHE HB3 1 35 PHE H . . 4.380 4.155 3.978 4.376 . 0 0 "[ . 1 . 2]" 1
525 1 34 PHE QD 1 35 PHE QD . . 4.870 4.863 4.825 4.871 0.001 7 0 "[ . 1 . 2]" 1
526 1 34 PHE QD 1 66 SER HB2 . . 4.430 4.101 2.947 4.430 0.000 15 0 "[ . 1 . 2]" 1
527 1 34 PHE QD 1 66 SER QB . . 3.820 3.586 2.905 3.819 . 0 0 "[ . 1 . 2]" 1
528 1 34 PHE QD 1 66 SER HB3 . . 4.430 4.103 3.655 4.429 . 0 0 "[ . 1 . 2]" 1
529 1 34 PHE HZ 1 36 HIS QB . . 5.340 4.071 3.620 5.110 . 0 0 "[ . 1 . 2]" 1
530 1 34 PHE HZ 1 36 HIS HD2 . . 4.680 3.829 2.977 4.373 . 0 0 "[ . 1 . 2]" 1
531 1 35 PHE H 1 35 PHE QD . . 4.170 2.507 2.281 2.679 . 0 0 "[ . 1 . 2]" 1
532 1 35 PHE H 1 35 PHE QE . . 4.380 4.260 4.095 4.361 . 0 0 "[ . 1 . 2]" 1
533 1 35 PHE HA 1 36 HIS H . . 3.170 2.271 2.179 2.354 . 0 0 "[ . 1 . 2]" 1
534 1 35 PHE QB 1 36 HIS H . . 3.600 2.781 2.573 3.060 . 0 0 "[ . 1 . 2]" 1
535 1 35 PHE QB 1 67 ALA H . . 3.720 3.351 2.733 3.719 . 0 0 "[ . 1 . 2]" 1
536 1 35 PHE HB2 1 67 ALA MB . . 3.390 2.916 2.526 3.289 . 0 0 "[ . 1 . 2]" 1
537 1 35 PHE HB2 1 70 VAL MG2 . . 4.170 3.031 2.752 3.243 . 0 0 "[ . 1 . 2]" 1
538 1 35 PHE HB3 1 67 ALA MB . . 3.390 2.342 2.019 2.548 . 0 0 "[ . 1 . 2]" 1
539 1 35 PHE HB3 1 70 VAL MG2 . . 4.170 3.593 3.273 3.850 . 0 0 "[ . 1 . 2]" 1
540 1 35 PHE QD 1 36 HIS H . . 4.380 3.658 3.408 4.078 . 0 0 "[ . 1 . 2]" 1
541 1 35 PHE QD 1 37 VAL HA . . 4.390 4.271 4.147 4.381 . 0 0 "[ . 1 . 2]" 1
542 1 35 PHE QD 1 37 VAL MG1 . . 5.270 5.042 4.895 5.203 . 0 0 "[ . 1 . 2]" 1
543 1 35 PHE QD 1 39 GLU HB2 . . 4.680 2.905 2.593 3.495 . 0 0 "[ . 1 . 2]" 1
544 1 35 PHE QD 1 40 VAL MG1 . . 4.030 4.014 3.911 4.032 0.002 9 0 "[ . 1 . 2]" 1
545 1 35 PHE QD 1 46 LEU MD1 . . 4.170 3.139 2.655 3.535 . 0 0 "[ . 1 . 2]" 1
546 1 35 PHE QD 1 67 ALA MB . . 3.950 3.883 3.633 3.950 . 0 0 "[ . 1 . 2]" 1
547 1 35 PHE QD 1 70 VAL MG2 . . 4.170 3.224 2.827 3.568 . 0 0 "[ . 1 . 2]" 1
548 1 35 PHE QE 1 37 VAL HA . . 4.410 4.296 4.112 4.411 0.001 7 0 "[ . 1 . 2]" 1
549 1 35 PHE QE 1 40 VAL MG1 . . 3.910 3.882 3.763 3.911 0.001 6 0 "[ . 1 . 2]" 1
550 1 35 PHE QE 1 46 LEU MD1 . . 3.900 2.170 1.947 2.600 . 0 0 "[ . 1 . 2]" 1
551 1 35 PHE QE 1 52 VAL MG2 . . 5.220 4.974 4.614 5.175 . 0 0 "[ . 1 . 2]" 1
552 1 35 PHE HZ 1 46 LEU HB2 . . 4.680 3.232 2.944 4.289 . 0 0 "[ . 1 . 2]" 1
553 1 35 PHE HZ 1 46 LEU MD1 . . 3.900 2.824 2.242 3.655 . 0 0 "[ . 1 . 2]" 1
554 1 36 HIS H 1 36 HIS HB2 . . 3.470 2.716 2.544 2.797 . 0 0 "[ . 1 . 2]" 1
555 1 36 HIS H 1 36 HIS QB . . 3.030 2.430 2.337 2.466 . 0 0 "[ . 1 . 2]" 1
556 1 36 HIS H 1 36 HIS HB3 . . 3.470 2.745 2.660 2.860 . 0 0 "[ . 1 . 2]" 1
557 1 36 HIS HA 1 37 VAL H . . 3.100 2.401 2.354 2.472 . 0 0 "[ . 1 . 2]" 1
558 1 36 HIS HA 1 37 VAL MG1 . . 4.170 3.976 3.804 4.057 . 0 0 "[ . 1 . 2]" 1
559 1 36 HIS QB 1 36 HIS HE1 . . 4.580 4.391 4.383 4.412 . 0 0 "[ . 1 . 2]" 1
560 1 36 HIS QB 1 37 VAL H . . 4.290 3.193 3.002 3.295 . 0 0 "[ . 1 . 2]" 1
561 1 36 HIS QB 1 38 LYS QG . . 3.830 1.989 1.975 2.048 . 0 0 "[ . 1 . 2]" 1
562 1 36 HIS HE1 1 37 VAL MG2 . . 3.900 2.624 2.477 2.809 . 0 0 "[ . 1 . 2]" 1
563 1 36 HIS HE1 1 38 LYS QB . . 4.570 3.813 3.574 4.293 . 0 0 "[ . 1 . 2]" 1
564 1 36 HIS HE1 1 38 LYS QD . . 5.340 3.936 3.183 5.201 . 0 0 "[ . 1 . 2]" 1
565 1 36 HIS HE1 1 38 LYS QG . . 5.130 4.967 4.274 5.132 0.002 9 0 "[ . 1 . 2]" 1
566 1 37 VAL H 1 37 VAL HB . . 3.690 3.603 3.600 3.617 . 0 0 "[ . 1 . 2]" 1
567 1 37 VAL H 1 37 VAL MG1 . . 3.350 2.498 2.434 2.547 . 0 0 "[ . 1 . 2]" 1
568 1 37 VAL H 1 37 VAL MG2 . . 3.170 2.104 1.949 2.150 . 0 0 "[ . 1 . 2]" 1
569 1 37 VAL HA 1 37 VAL MG1 . . 3.190 2.211 2.150 2.266 . 0 0 "[ . 1 . 2]" 1
570 1 37 VAL HA 1 37 VAL MG2 . . 3.390 3.184 3.179 3.192 . 0 0 "[ . 1 . 2]" 1
571 1 37 VAL HA 1 39 GLU H . . 4.170 3.964 3.845 4.056 . 0 0 "[ . 1 . 2]" 1
572 1 37 VAL HA 1 39 GLU HB2 . . 5.060 4.600 4.493 4.787 . 0 0 "[ . 1 . 2]" 1
573 1 37 VAL HA 1 40 VAL H . . 4.170 3.831 3.692 3.932 . 0 0 "[ . 1 . 2]" 1
574 1 37 VAL HA 1 40 VAL HB . . 4.680 4.613 4.372 4.682 0.002 7 0 "[ . 1 . 2]" 1
575 1 37 VAL HA 1 40 VAL MG1 . . 3.100 2.477 2.257 2.683 . 0 0 "[ . 1 . 2]" 1
576 1 37 VAL HA 1 40 VAL MG2 . . 5.270 5.115 4.905 5.246 . 0 0 "[ . 1 . 2]" 1
577 1 37 VAL HB 1 40 VAL MG1 . . 4.170 3.607 3.404 3.824 . 0 0 "[ . 1 . 2]" 1
578 1 37 VAL MG1 1 38 LYS HA . . 5.500 5.446 5.438 5.452 . 0 0 "[ . 1 . 2]" 1
579 1 37 VAL MG2 1 38 LYS HA . . 4.170 3.543 3.452 3.614 . 0 0 "[ . 1 . 2]" 1
580 1 38 LYS HA 1 38 LYS QD . . 4.440 4.305 4.234 4.401 . 0 0 "[ . 1 . 2]" 1
581 1 38 LYS HA 1 38 LYS QG . . 3.500 3.331 3.327 3.339 . 0 0 "[ . 1 . 2]" 1
582 1 38 LYS QB 1 38 LYS QD . . 3.230 2.113 2.038 2.228 . 0 0 "[ . 1 . 2]" 1
583 1 38 LYS QD 1 39 GLU HA . . 5.340 5.202 4.712 5.341 0.001 2 0 "[ . 1 . 2]" 1
584 1 38 LYS QG 1 39 GLU H . . 4.340 2.144 1.981 2.430 . 0 0 "[ . 1 . 2]" 1
585 1 38 LYS QG 1 39 GLU QG . . 3.820 2.801 2.464 3.694 . 0 0 "[ . 1 . 2]" 1
586 1 38 LYS HG2 1 39 GLU HA . . 4.820 3.887 3.745 4.320 . 0 0 "[ . 1 . 2]" 1
587 1 38 LYS HG3 1 39 GLU HA . . 4.820 3.446 3.117 3.554 . 0 0 "[ . 1 . 2]" 1
588 1 39 GLU H 1 39 GLU HB2 . . 3.470 2.463 2.258 2.616 . 0 0 "[ . 1 . 2]" 1
589 1 39 GLU H 1 39 GLU HB3 . . 3.900 3.579 3.534 3.593 . 0 0 "[ . 1 . 2]" 1
590 1 39 GLU H 1 39 GLU QG . . 3.720 2.410 2.005 3.438 . 0 0 "[ . 1 . 2]" 1
591 1 39 GLU H 1 40 VAL H . . 3.250 2.974 2.897 3.032 . 0 0 "[ . 1 . 2]" 1
592 1 39 GLU H 1 40 VAL MG1 . . 4.380 3.817 3.707 3.936 . 0 0 "[ . 1 . 2]" 1
593 1 39 GLU HA 1 39 GLU QG . . 3.500 2.645 2.263 3.048 . 0 0 "[ . 1 . 2]" 1
594 1 39 GLU HB2 1 40 VAL H . . 3.140 2.147 2.042 2.323 . 0 0 "[ . 1 . 2]" 1
595 1 39 GLU HB2 1 69 ASN H . . 5.270 5.151 4.832 5.270 . 0 0 "[ . 1 . 2]" 1
596 1 39 GLU HB2 1 70 VAL H . . 4.380 4.265 3.879 4.379 . 0 0 "[ . 1 . 2]" 1
597 1 39 GLU HB2 1 70 VAL MG2 . . 4.250 2.797 2.287 3.196 . 0 0 "[ . 1 . 2]" 1
598 1 39 GLU HB3 1 69 ASN H . . 4.380 3.524 3.253 3.686 . 0 0 "[ . 1 . 2]" 1
599 1 39 GLU HB3 1 70 VAL H . . 4.380 2.940 2.606 3.350 . 0 0 "[ . 1 . 2]" 1
600 1 39 GLU HB3 1 70 VAL MG2 . . 4.170 2.093 1.970 2.348 . 0 0 "[ . 1 . 2]" 1
601 1 39 GLU QG 1 69 ASN H . . 5.340 4.440 3.083 5.151 . 0 0 "[ . 1 . 2]" 1
602 1 40 VAL H 1 40 VAL HB . . 3.250 2.559 2.517 2.569 . 0 0 "[ . 1 . 2]" 1
603 1 40 VAL H 1 40 VAL MG1 . . 3.170 2.107 1.996 2.283 . 0 0 "[ . 1 . 2]" 1
604 1 40 VAL H 1 40 VAL MG2 . . 4.170 3.765 3.762 3.766 . 0 0 "[ . 1 . 2]" 1
605 1 40 VAL H 1 41 GLN H . . 4.650 4.587 4.510 4.627 . 0 0 "[ . 1 . 2]" 1
606 1 40 VAL HA 1 40 VAL MG1 . . 3.390 3.197 3.184 3.202 . 0 0 "[ . 1 . 2]" 1
607 1 40 VAL HA 1 40 VAL MG2 . . 3.050 2.357 2.324 2.396 . 0 0 "[ . 1 . 2]" 1
608 1 40 VAL HA 1 41 GLN H . . 2.890 2.188 2.142 2.233 . 0 0 "[ . 1 . 2]" 1
609 1 40 VAL HA 1 41 GLN HA . . 4.430 4.408 4.386 4.431 0.001 18 0 "[ . 1 . 2]" 1
610 1 40 VAL HA 1 70 VAL H . . 3.900 3.223 3.030 3.467 . 0 0 "[ . 1 . 2]" 1
611 1 40 VAL HA 1 70 VAL HB . . 3.250 2.329 2.133 2.481 . 0 0 "[ . 1 . 2]" 1
612 1 40 VAL HA 1 70 VAL MG1 . . 4.250 3.706 3.520 3.956 . 0 0 "[ . 1 . 2]" 1
613 1 40 VAL HA 1 70 VAL MG2 . . 4.500 3.610 3.432 3.768 . 0 0 "[ . 1 . 2]" 1
614 1 40 VAL MG1 1 41 GLN H . . 4.170 3.931 3.833 4.092 . 0 0 "[ . 1 . 2]" 1
615 1 40 VAL MG1 1 41 GLN HA . . 4.250 3.974 3.827 4.255 0.005 7 0 "[ . 1 . 2]" 1
616 1 40 VAL MG1 1 44 ILE H . . 4.680 3.882 3.571 4.189 . 0 0 "[ . 1 . 2]" 1
617 1 40 VAL MG1 1 46 LEU HB2 . . 5.500 4.979 4.094 5.227 . 0 0 "[ . 1 . 2]" 1
618 1 40 VAL MG1 1 46 LEU MD1 . . 3.450 3.361 2.406 3.451 0.001 6 0 "[ . 1 . 2]" 1
619 1 40 VAL MG1 1 46 LEU HG . . 3.520 3.395 3.242 3.516 . 0 0 "[ . 1 . 2]" 1
620 1 40 VAL MG2 1 41 GLN H . . 3.350 2.436 2.210 2.743 . 0 0 "[ . 1 . 2]" 1
621 1 40 VAL MG2 1 41 GLN HA . . 5.500 3.570 3.372 3.885 . 0 0 "[ . 1 . 2]" 1
622 1 40 VAL MG2 1 43 GLY H . . 4.380 4.300 4.167 4.381 0.001 6 0 "[ . 1 . 2]" 1
623 1 40 VAL MG2 1 44 ILE H . . 3.900 2.582 2.428 2.827 . 0 0 "[ . 1 . 2]" 1
624 1 40 VAL MG2 1 44 ILE HB . . 3.720 2.065 2.011 2.209 . 0 0 "[ . 1 . 2]" 1
625 1 40 VAL MG2 1 44 ILE HG12 . . 4.170 3.449 3.265 3.624 . 0 0 "[ . 1 . 2]" 1
626 1 40 VAL MG2 1 44 ILE HG13 . . 3.900 3.633 3.336 3.774 . 0 0 "[ . 1 . 2]" 1
627 1 40 VAL MG2 1 45 GLU HA . . 4.680 3.709 3.347 4.682 0.002 8 0 "[ . 1 . 2]" 1
628 1 40 VAL MG2 1 46 LEU HB2 . . 5.500 4.954 4.288 5.241 . 0 0 "[ . 1 . 2]" 1
629 1 40 VAL MG2 1 46 LEU MD1 . . 3.470 3.232 2.345 3.463 . 0 0 "[ . 1 . 2]" 1
630 1 40 VAL MG2 1 46 LEU HG . . 3.390 2.791 2.332 3.062 . 0 0 "[ . 1 . 2]" 1
631 1 40 VAL MG2 1 70 VAL H . . 5.420 4.917 4.684 5.111 . 0 0 "[ . 1 . 2]" 1
632 1 40 VAL MG2 1 70 VAL HB . . 3.470 3.388 3.242 3.466 . 0 0 "[ . 1 . 2]" 1
633 1 40 VAL MG2 1 70 VAL MG1 . . 3.900 3.397 3.185 3.636 . 0 0 "[ . 1 . 2]" 1
634 1 41 GLN H 1 41 GLN HB2 . . 3.870 2.821 2.688 3.851 . 0 0 "[ . 1 . 2]" 1
635 1 41 GLN H 1 41 GLN QB . . 3.240 2.724 2.625 3.108 . 0 0 "[ . 1 . 2]" 1
636 1 41 GLN H 1 41 GLN HB3 . . 3.870 3.782 3.280 3.870 . 0 0 "[ . 1 . 2]" 1
637 1 41 GLN H 1 41 GLN HG2 . . 3.900 3.102 2.473 3.912 0.012 7 0 "[ . 1 . 2]" 1
638 1 41 GLN H 1 41 GLN QG . . 3.240 2.693 2.413 3.024 . 0 0 "[ . 1 . 2]" 1
639 1 41 GLN H 1 41 GLN HG3 . . 3.900 3.414 2.748 3.902 0.002 10 0 "[ . 1 . 2]" 1
640 1 41 GLN H 1 70 VAL HB . . 4.390 4.227 3.973 4.367 . 0 0 "[ . 1 . 2]" 1
641 1 41 GLN HA 1 41 GLN HG2 . . 4.170 2.933 2.457 3.861 . 0 0 "[ . 1 . 2]" 1
642 1 41 GLN HA 1 41 GLN HG3 . . 4.170 3.593 2.596 3.857 . 0 0 "[ . 1 . 2]" 1
643 1 41 GLN HA 1 42 ASP H . . 3.020 2.673 2.638 2.710 . 0 0 "[ . 1 . 2]" 1
644 1 41 GLN HA 1 42 ASP HA . . 4.870 4.704 4.677 4.726 . 0 0 "[ . 1 . 2]" 1
645 1 41 GLN HA 1 43 GLY H . . 4.680 3.142 3.068 3.183 . 0 0 "[ . 1 . 2]" 1
646 1 41 GLN QB 1 42 ASP H . . 3.830 1.997 1.924 2.069 . 0 0 "[ . 1 . 2]" 1
647 1 41 GLN QE 1 41 GLN QG . . 3.100 2.177 2.068 2.399 . 0 0 "[ . 1 . 2]" 1
648 1 41 GLN QE 1 69 ASN HA . . 4.090 3.079 2.060 3.697 . 0 0 "[ . 1 . 2]" 1
649 1 41 GLN HE21 1 69 ASN HA . . 4.920 3.192 2.723 3.823 . 0 0 "[ . 1 . 2]" 1
650 1 41 GLN HE22 1 69 ASN HA . . 4.920 4.544 2.085 4.921 0.001 10 0 "[ . 1 . 2]" 1
651 1 41 GLN QG 1 42 ASP H . . 4.570 3.960 3.190 4.098 . 0 0 "[ . 1 . 2]" 1
652 1 41 GLN QG 1 69 ASN HA . . 4.090 2.892 2.057 3.640 . 0 0 "[ . 1 . 2]" 1
653 1 41 GLN QG 1 70 VAL H . . 4.570 4.218 3.604 4.571 0.001 7 0 "[ . 1 . 2]" 1
654 1 42 ASP H 1 42 ASP HB2 . . 4.170 3.198 3.043 3.743 . 0 0 "[ . 1 . 2]" 1
655 1 42 ASP H 1 42 ASP HB3 . . 4.170 3.865 3.654 4.092 . 0 0 "[ . 1 . 2]" 1
656 1 42 ASP H 1 43 GLY H . . 3.650 2.630 2.612 2.674 . 0 0 "[ . 1 . 2]" 1
657 1 42 ASP HA 1 43 GLY H . . 3.350 2.993 2.971 3.035 . 0 0 "[ . 1 . 2]" 1
658 1 42 ASP HA 1 44 ILE MD . . 4.680 4.595 4.381 4.680 0.000 20 0 "[ . 1 . 2]" 1
659 1 42 ASP QB 1 44 ILE MG . . 4.860 4.461 4.247 4.777 . 0 0 "[ . 1 . 2]" 1
660 1 42 ASP HB2 1 44 ILE MD . . 4.170 3.897 2.951 4.173 0.003 5 0 "[ . 1 . 2]" 1
661 1 42 ASP HB2 1 44 ILE HG12 . . 4.680 3.356 2.000 4.151 . 0 0 "[ . 1 . 2]" 1
662 1 42 ASP HB2 1 44 ILE HG13 . . 4.680 3.874 2.668 4.619 . 0 0 "[ . 1 . 2]" 1
663 1 42 ASP HB3 1 44 ILE MD . . 4.170 2.762 2.282 3.588 . 0 0 "[ . 1 . 2]" 1
664 1 42 ASP HB3 1 44 ILE HG12 . . 4.680 2.412 1.999 3.942 . 0 0 "[ . 1 . 2]" 1
665 1 42 ASP HB3 1 44 ILE HG13 . . 4.680 3.087 2.634 4.552 . 0 0 "[ . 1 . 2]" 1
666 1 43 GLY H 1 44 ILE H . . 3.650 2.992 2.796 3.361 . 0 0 "[ . 1 . 2]" 1
667 1 44 ILE H 1 44 ILE HB . . 3.470 2.690 2.579 2.799 . 0 0 "[ . 1 . 2]" 1
668 1 44 ILE H 1 44 ILE MD . . 4.170 3.520 3.303 3.684 . 0 0 "[ . 1 . 2]" 1
669 1 44 ILE H 1 44 ILE HG12 . . 3.720 2.511 2.115 2.755 . 0 0 "[ . 1 . 2]" 1
670 1 44 ILE H 1 44 ILE HG13 . . 4.140 3.929 3.592 4.143 0.003 8 0 "[ . 1 . 2]" 1
671 1 44 ILE H 1 44 ILE MG . . 4.140 3.865 3.783 3.921 . 0 0 "[ . 1 . 2]" 1
672 1 44 ILE H 1 45 GLU H . . 4.650 4.507 4.432 4.608 . 0 0 "[ . 1 . 2]" 1
673 1 44 ILE HA 1 44 ILE MD . . 3.390 1.996 1.974 2.056 . 0 0 "[ . 1 . 2]" 1
674 1 44 ILE HA 1 44 ILE HG12 . . 3.900 3.126 3.100 3.150 . 0 0 "[ . 1 . 2]" 1
675 1 44 ILE HA 1 44 ILE HG13 . . 4.170 3.783 3.770 3.792 . 0 0 "[ . 1 . 2]" 1
676 1 44 ILE HA 1 44 ILE MG . . 3.250 2.223 2.195 2.317 . 0 0 "[ . 1 . 2]" 1
677 1 44 ILE HA 1 45 GLU H . . 2.760 2.255 2.242 2.272 . 0 0 "[ . 1 . 2]" 1
678 1 44 ILE HA 1 45 GLU HA . . 4.680 4.398 4.356 4.408 . 0 0 "[ . 1 . 2]" 1
679 1 44 ILE HA 1 45 GLU QB . . 4.340 4.066 3.933 4.340 . 0 0 "[ . 1 . 2]" 1
680 1 44 ILE HB 1 44 ILE MD . . 3.470 3.226 3.218 3.230 . 0 0 "[ . 1 . 2]" 1
681 1 44 ILE HB 1 45 GLU H . . 3.810 3.786 3.732 3.810 0.000 7 0 "[ . 1 . 2]" 1
682 1 44 ILE MD 1 45 GLU H . . 4.170 3.629 3.483 3.718 . 0 0 "[ . 1 . 2]" 1
683 1 44 ILE MD 1 72 ARG H . . 4.430 4.339 4.000 4.432 0.002 7 0 "[ . 1 . 2]" 1
684 1 44 ILE MD 1 72 ARG QB . . 4.060 3.377 3.090 3.609 . 0 0 "[ . 1 . 2]" 1
685 1 44 ILE MD 1 72 ARG HD3 . . 4.170 4.000 3.674 4.171 0.001 9 0 "[ . 1 . 2]" 1
686 1 44 ILE HG13 1 44 ILE MG . . 3.480 2.312 2.298 2.367 . 0 0 "[ . 1 . 2]" 1
687 1 44 ILE HG13 1 45 GLU H . . 5.200 5.144 5.116 5.184 . 0 0 "[ . 1 . 2]" 1
688 1 44 ILE HG13 1 72 ARG H . . 3.650 3.289 3.001 3.493 . 0 0 "[ . 1 . 2]" 1
689 1 44 ILE MG 1 45 GLU H . . 3.350 2.029 1.913 2.211 . 0 0 "[ . 1 . 2]" 1
690 1 44 ILE MG 1 45 GLU QB . . 4.090 3.907 3.839 4.111 0.021 8 0 "[ . 1 . 2]" 1
691 1 44 ILE MG 1 46 LEU HA . . 4.170 3.866 3.397 4.142 . 0 0 "[ . 1 . 2]" 1
692 1 44 ILE MG 1 46 LEU HG . . 4.170 3.899 3.395 4.169 . 0 0 "[ . 1 . 2]" 1
693 1 44 ILE MG 1 72 ARG H . . 4.460 3.187 2.893 3.516 . 0 0 "[ . 1 . 2]" 1
694 1 44 ILE MG 1 72 ARG HB2 . . 3.930 2.007 1.885 2.203 . 0 0 "[ . 1 . 2]" 1
695 1 44 ILE MG 1 72 ARG QB . . 3.400 1.883 1.830 2.027 . 0 0 "[ . 1 . 2]" 1
696 1 44 ILE MG 1 72 ARG HB3 . . 3.930 2.354 2.044 2.907 . 0 0 "[ . 1 . 2]" 1
697 1 44 ILE MG 1 72 ARG HD2 . . 3.830 3.624 3.401 3.805 . 0 0 "[ . 1 . 2]" 1
698 1 44 ILE MG 1 72 ARG HD3 . . 3.910 2.294 2.071 2.536 . 0 0 "[ . 1 . 2]" 1
699 1 44 ILE MG 1 72 ARG QG . . 4.670 3.164 2.884 3.442 . 0 0 "[ . 1 . 2]" 1
700 1 45 GLU H 1 45 GLU HB2 . . 3.650 2.784 2.388 3.654 0.004 8 0 "[ . 1 . 2]" 1
701 1 45 GLU H 1 45 GLU HB3 . . 3.650 3.083 2.550 3.639 . 0 0 "[ . 1 . 2]" 1
702 1 45 GLU H 1 45 GLU HG2 . . 4.920 4.276 1.960 4.819 . 0 0 "[ . 1 . 2]" 1
703 1 45 GLU H 1 45 GLU QG . . 4.100 3.626 1.951 4.091 . 0 0 "[ . 1 . 2]" 1
704 1 45 GLU H 1 45 GLU HG3 . . 4.920 4.096 3.411 4.682 . 0 0 "[ . 1 . 2]" 1
705 1 45 GLU H 1 46 LEU H . . 4.380 4.197 3.759 4.387 0.007 8 0 "[ . 1 . 2]" 1
706 1 45 GLU HA 1 45 GLU HG2 . . 4.170 3.087 2.230 3.819 . 0 0 "[ . 1 . 2]" 1
707 1 45 GLU HA 1 45 GLU QG . . 3.580 2.596 2.183 3.346 . 0 0 "[ . 1 . 2]" 1
708 1 45 GLU HA 1 45 GLU HG3 . . 4.170 3.000 2.529 4.043 . 0 0 "[ . 1 . 2]" 1
709 1 45 GLU HA 1 46 LEU H . . 3.100 2.175 2.139 2.299 . 0 0 "[ . 1 . 2]" 1
710 1 45 GLU HA 1 46 LEU HG . . 4.680 3.696 3.485 4.115 . 0 0 "[ . 1 . 2]" 1
711 1 45 GLU HB2 1 46 LEU H . . 4.680 4.364 3.505 4.585 . 0 0 "[ . 1 . 2]" 1
712 1 45 GLU HB3 1 46 LEU H . . 4.680 4.000 3.305 4.492 . 0 0 "[ . 1 . 2]" 1
713 1 46 LEU H 1 46 LEU HB2 . . 3.470 2.716 2.627 2.756 . 0 0 "[ . 1 . 2]" 1
714 1 46 LEU H 1 46 LEU HB3 . . 4.170 3.634 3.569 3.739 . 0 0 "[ . 1 . 2]" 1
715 1 46 LEU H 1 46 LEU MD2 . . 4.380 3.037 2.729 3.390 . 0 0 "[ . 1 . 2]" 1
716 1 46 LEU H 1 46 LEU HG . . 3.650 2.105 1.951 2.742 . 0 0 "[ . 1 . 2]" 1
717 1 46 LEU HA 1 46 LEU MD1 . . 4.170 3.929 3.832 3.975 . 0 0 "[ . 1 . 2]" 1
718 1 46 LEU HA 1 46 LEU MD2 . . 3.140 2.302 2.055 2.424 . 0 0 "[ . 1 . 2]" 1
719 1 46 LEU HA 1 46 LEU HG . . 3.900 3.344 3.238 3.408 . 0 0 "[ . 1 . 2]" 1
720 1 46 LEU HA 1 47 GLN H . . 2.850 2.174 2.141 2.297 . 0 0 "[ . 1 . 2]" 1
721 1 46 LEU HA 1 47 GLN QG . . 4.860 3.705 3.392 3.987 . 0 0 "[ . 1 . 2]" 1
722 1 46 LEU HB2 1 46 LEU MD1 . . 3.470 2.234 2.159 2.448 . 0 0 "[ . 1 . 2]" 1
723 1 46 LEU HB2 1 46 LEU MD2 . . 3.580 3.182 3.173 3.194 . 0 0 "[ . 1 . 2]" 1
724 1 46 LEU HB2 1 47 GLN H . . 4.140 3.956 3.622 4.141 0.001 8 0 "[ . 1 . 2]" 1
725 1 46 LEU HB3 1 46 LEU MD1 . . 3.580 2.395 2.240 2.461 . 0 0 "[ . 1 . 2]" 1
726 1 46 LEU HB3 1 46 LEU MD2 . . 3.510 2.273 2.187 2.375 . 0 0 "[ . 1 . 2]" 1
727 1 46 LEU HB3 1 47 GLN H . . 3.470 3.223 2.732 3.457 . 0 0 "[ . 1 . 2]" 1
728 1 46 LEU MD1 1 47 GLN H . . 5.270 5.070 4.724 5.267 . 0 0 "[ . 1 . 2]" 1
729 1 46 LEU MD1 1 52 VAL HB . . 4.680 3.783 3.102 4.174 . 0 0 "[ . 1 . 2]" 1
730 1 46 LEU MD1 1 70 VAL HB . . 3.580 3.143 2.798 3.488 . 0 0 "[ . 1 . 2]" 1
731 1 46 LEU MD1 1 70 VAL MG1 . . 3.720 1.891 1.809 2.126 . 0 0 "[ . 1 . 2]" 1
732 1 46 LEU MD2 1 47 GLN H . . 4.440 3.897 3.649 4.048 . 0 0 "[ . 1 . 2]" 1
733 1 46 LEU MD2 1 50 ASP HB2 . . 4.170 3.990 3.719 4.153 . 0 0 "[ . 1 . 2]" 1
734 1 46 LEU MD2 1 50 ASP HB3 . . 4.170 3.423 3.069 3.788 . 0 0 "[ . 1 . 2]" 1
735 1 46 LEU MD2 1 52 VAL MG1 . . 3.390 1.812 1.755 2.070 . 0 0 "[ . 1 . 2]" 1
736 1 46 LEU MD2 1 70 VAL MG1 . . 4.680 2.279 1.954 2.691 . 0 0 "[ . 1 . 2]" 1
737 1 46 LEU MD2 1 72 ARG H . . 4.780 3.821 3.414 4.162 . 0 0 "[ . 1 . 2]" 1
738 1 46 LEU MD2 1 72 ARG HB2 . . 4.140 2.683 2.490 2.791 . 0 0 "[ . 1 . 2]" 1
739 1 46 LEU MD2 1 72 ARG QB . . 3.570 2.648 2.461 2.749 . 0 0 "[ . 1 . 2]" 1
740 1 46 LEU MD2 1 72 ARG HB3 . . 4.140 4.068 3.854 4.140 . 0 0 "[ . 1 . 2]" 1
741 1 46 LEU MD2 1 72 ARG HD2 . . 4.170 4.108 3.888 4.171 0.001 10 0 "[ . 1 . 2]" 1
742 1 46 LEU MD2 1 72 ARG HD3 . . 3.900 3.658 3.232 3.901 0.001 7 0 "[ . 1 . 2]" 1
743 1 46 LEU MD2 1 72 ARG QG . . 3.860 2.630 2.345 3.039 . 0 0 "[ . 1 . 2]" 1
744 1 47 GLN H 1 47 GLN QB . . 3.380 2.625 2.480 2.857 . 0 0 "[ . 1 . 2]" 1
745 1 47 GLN H 1 47 GLN HG2 . . 4.390 3.808 2.943 4.255 . 0 0 "[ . 1 . 2]" 1
746 1 47 GLN H 1 47 GLN QG . . 3.650 2.888 2.587 3.285 . 0 0 "[ . 1 . 2]" 1
747 1 47 GLN H 1 47 GLN HG3 . . 4.390 3.082 2.641 4.340 . 0 0 "[ . 1 . 2]" 1
748 1 47 GLN H 1 50 ASP HB2 . . 3.900 2.256 2.043 2.509 . 0 0 "[ . 1 . 2]" 1
749 1 47 GLN H 1 50 ASP HB3 . . 4.570 3.187 2.998 3.380 . 0 0 "[ . 1 . 2]" 1
750 1 47 GLN HA 1 47 GLN HG2 . . 4.170 2.583 2.376 2.810 . 0 0 "[ . 1 . 2]" 1
751 1 47 GLN HA 1 47 GLN HG3 . . 4.170 3.232 2.771 3.782 . 0 0 "[ . 1 . 2]" 1
752 1 47 GLN HA 1 48 ALA H . . 2.760 2.602 2.476 2.661 . 0 0 "[ . 1 . 2]" 1
753 1 47 GLN HA 1 48 ALA HA . . 4.730 4.313 4.299 4.321 . 0 0 "[ . 1 . 2]" 1
754 1 47 GLN HA 1 48 ALA MB . . 4.510 4.238 4.173 4.279 . 0 0 "[ . 1 . 2]" 1
755 1 47 GLN QB 1 48 ALA H . . 3.100 2.043 1.938 2.304 . 0 0 "[ . 1 . 2]" 1
756 1 47 GLN QB 1 48 ALA MB . . 4.440 3.587 3.506 3.738 . 0 0 "[ . 1 . 2]" 1
757 1 47 GLN QB 1 50 ASP HB2 . . 4.860 3.822 3.608 4.301 . 0 0 "[ . 1 . 2]" 1
758 1 47 GLN HB2 1 48 ALA H . . 3.650 3.203 2.928 3.491 . 0 0 "[ . 1 . 2]" 1
759 1 47 GLN HB3 1 48 ALA H . . 3.650 2.068 1.952 2.354 . 0 0 "[ . 1 . 2]" 1
760 1 47 GLN QG 1 48 ALA H . . 4.220 3.851 3.559 4.066 . 0 0 "[ . 1 . 2]" 1
761 1 48 ALA H 1 48 ALA MB . . 2.790 2.226 2.159 2.249 . 0 0 "[ . 1 . 2]" 1
762 1 48 ALA HA 1 49 GLY H . . 2.850 2.152 2.145 2.193 . 0 0 "[ . 1 . 2]" 1
763 1 48 ALA HA 1 49 GLY HA3 . . 5.110 4.396 4.384 4.454 . 0 0 "[ . 1 . 2]" 1
764 1 48 ALA HA 1 50 ASP H . . 3.900 3.535 3.341 3.643 . 0 0 "[ . 1 . 2]" 1
765 1 48 ALA MB 1 49 GLY H . . 3.650 3.247 2.922 3.398 . 0 0 "[ . 1 . 2]" 1
766 1 48 ALA MB 1 49 GLY HA3 . . 4.780 4.025 3.910 4.098 . 0 0 "[ . 1 . 2]" 1
767 1 49 GLY H 1 50 ASP H . . 3.470 2.254 2.090 2.547 . 0 0 "[ . 1 . 2]" 1
768 1 50 ASP H 1 50 ASP HB2 . . 3.250 2.326 2.254 2.395 . 0 0 "[ . 1 . 2]" 1
769 1 50 ASP H 1 50 ASP HB3 . . 3.900 3.578 3.515 3.629 . 0 0 "[ . 1 . 2]" 1
770 1 50 ASP HA 1 51 GLU H . . 2.820 2.143 2.139 2.148 . 0 0 "[ . 1 . 2]" 1
771 1 50 ASP HA 1 72 ARG HD2 . . 5.140 4.924 4.062 5.139 . 0 0 "[ . 1 . 2]" 1
772 1 50 ASP HB2 1 52 VAL MG1 . . 4.170 3.918 3.646 4.152 . 0 0 "[ . 1 . 2]" 1
773 1 50 ASP HB2 1 72 ARG QG . . 5.130 4.336 4.078 4.603 . 0 0 "[ . 1 . 2]" 1
774 1 50 ASP HB3 1 51 GLU H . . 3.650 3.588 3.358 3.649 . 0 0 "[ . 1 . 2]" 1
775 1 50 ASP HB3 1 52 VAL MG1 . . 4.170 3.075 2.877 3.234 . 0 0 "[ . 1 . 2]" 1
776 1 50 ASP HB3 1 72 ARG HD2 . . 4.170 3.536 2.972 3.977 . 0 0 "[ . 1 . 2]" 1
777 1 50 ASP HB3 1 72 ARG HD3 . . 5.500 4.689 3.936 5.099 . 0 0 "[ . 1 . 2]" 1
778 1 50 ASP HB3 1 72 ARG HG2 . . 4.900 3.850 3.373 4.366 . 0 0 "[ . 1 . 2]" 1
779 1 50 ASP HB3 1 72 ARG QG . . 4.290 2.868 2.668 3.009 . 0 0 "[ . 1 . 2]" 1
780 1 50 ASP HB3 1 72 ARG HG3 . . 4.900 2.972 2.736 3.122 . 0 0 "[ . 1 . 2]" 1
781 1 51 GLU H 1 51 GLU HB2 . . 3.350 2.344 2.265 2.463 . 0 0 "[ . 1 . 2]" 1
782 1 51 GLU H 1 51 GLU HB3 . . 3.250 2.821 2.765 2.860 . 0 0 "[ . 1 . 2]" 1
783 1 51 GLU H 1 51 GLU HG2 . . 4.680 4.580 4.534 4.635 . 0 0 "[ . 1 . 2]" 1
784 1 51 GLU H 1 52 VAL H . . 4.630 4.486 4.329 4.567 . 0 0 "[ . 1 . 2]" 1
785 1 51 GLU H 1 74 SER H . . 4.140 3.983 3.574 4.140 . 0 0 "[ . 1 . 2]" 1
786 1 51 GLU H 1 74 SER QB . . 4.570 2.773 1.932 4.169 . 0 0 "[ . 1 . 2]" 1
787 1 51 GLU HA 1 52 VAL H . . 3.170 2.148 2.139 2.169 . 0 0 "[ . 1 . 2]" 1
788 1 51 GLU HA 1 52 VAL MG2 . . 4.680 3.658 3.485 3.829 . 0 0 "[ . 1 . 2]" 1
789 1 51 GLU HB2 1 52 VAL H . . 4.680 4.432 4.352 4.568 . 0 0 "[ . 1 . 2]" 1
790 1 51 GLU HB2 1 73 VAL QG . . 4.650 4.265 3.762 4.650 0.000 7 0 "[ . 1 . 2]" 1
791 1 51 GLU HB2 1 74 SER QB . . 4.090 3.151 2.464 4.061 . 0 0 "[ . 1 . 2]" 1
792 1 51 GLU HB3 1 52 VAL H . . 4.390 3.996 3.845 4.200 . 0 0 "[ . 1 . 2]" 1
793 1 51 GLU HB3 1 73 VAL QG . . 3.460 2.901 2.393 3.441 . 0 0 "[ . 1 . 2]" 1
794 1 51 GLU HB3 1 74 SER H . . 3.900 3.399 2.642 3.809 . 0 0 "[ . 1 . 2]" 1
795 1 51 GLU HB3 1 74 SER HB2 . . 4.680 3.213 2.049 4.526 . 0 0 "[ . 1 . 2]" 1
796 1 51 GLU HB3 1 74 SER HB3 . . 4.680 3.165 2.051 4.261 . 0 0 "[ . 1 . 2]" 1
797 1 51 GLU HG2 1 52 VAL H . . 4.380 3.172 2.875 3.750 . 0 0 "[ . 1 . 2]" 1
798 1 51 GLU HG2 1 73 VAL QG . . 3.880 3.372 2.896 3.873 . 0 0 "[ . 1 . 2]" 1
799 1 51 GLU HG3 1 52 VAL H . . 4.170 3.561 3.239 3.822 . 0 0 "[ . 1 . 2]" 1
800 1 52 VAL H 1 52 VAL HB . . 4.030 3.822 3.741 3.875 . 0 0 "[ . 1 . 2]" 1
801 1 52 VAL H 1 52 VAL MG1 . . 3.800 3.018 2.841 3.179 . 0 0 "[ . 1 . 2]" 1
802 1 52 VAL H 1 52 VAL MG2 . . 3.100 2.124 1.943 2.255 . 0 0 "[ . 1 . 2]" 1
803 1 52 VAL HA 1 52 VAL MG1 . . 3.250 2.313 2.208 2.421 . 0 0 "[ . 1 . 2]" 1
804 1 52 VAL HA 1 53 GLU H . . 3.100 2.336 2.253 2.494 . 0 0 "[ . 1 . 2]" 1
805 1 52 VAL HA 1 72 ARG HA . . 3.470 2.537 2.093 3.088 . 0 0 "[ . 1 . 2]" 1
806 1 52 VAL HA 1 73 VAL H . . 3.470 2.473 1.951 2.848 . 0 0 "[ . 1 . 2]" 1
807 1 52 VAL HA 1 73 VAL MG1 . . 4.980 3.599 2.093 4.949 . 0 0 "[ . 1 . 2]" 1
808 1 52 VAL HA 1 73 VAL QG . . 3.500 2.534 2.090 3.016 . 0 0 "[ . 1 . 2]" 1
809 1 52 VAL HA 1 73 VAL MG2 . . 4.980 3.033 2.151 4.940 . 0 0 "[ . 1 . 2]" 1
810 1 52 VAL HB 1 53 GLU H . . 3.350 2.558 2.204 2.788 . 0 0 "[ . 1 . 2]" 1
811 1 52 VAL HB 1 54 PHE QD . . 4.680 4.024 3.664 4.364 . 0 0 "[ . 1 . 2]" 1
812 1 52 VAL HB 1 70 VAL MG1 . . 3.310 2.138 1.960 2.398 . 0 0 "[ . 1 . 2]" 1
813 1 52 VAL HB 1 72 ARG HA . . 4.840 3.256 2.829 3.556 . 0 0 "[ . 1 . 2]" 1
814 1 52 VAL MG1 1 53 GLU H . . 3.900 3.717 3.556 3.841 . 0 0 "[ . 1 . 2]" 1
815 1 52 VAL MG1 1 70 VAL MG1 . . 3.250 2.616 2.447 2.798 . 0 0 "[ . 1 . 2]" 1
816 1 52 VAL MG1 1 72 ARG HA . . 3.310 1.988 1.918 2.114 . 0 0 "[ . 1 . 2]" 1
817 1 52 VAL MG1 1 72 ARG HB2 . . 4.720 2.867 2.459 3.325 . 0 0 "[ . 1 . 2]" 1
818 1 52 VAL MG1 1 72 ARG QB . . 3.910 2.798 2.420 3.208 . 0 0 "[ . 1 . 2]" 1
819 1 52 VAL MG1 1 72 ARG HB3 . . 4.720 3.946 3.609 4.248 . 0 0 "[ . 1 . 2]" 1
820 1 52 VAL MG1 1 72 ARG HG2 . . 4.930 3.097 2.701 3.426 . 0 0 "[ . 1 . 2]" 1
821 1 52 VAL MG1 1 72 ARG QG . . 4.320 2.360 1.938 2.621 . 0 0 "[ . 1 . 2]" 1
822 1 52 VAL MG1 1 72 ARG HG3 . . 4.930 2.459 1.986 2.813 . 0 0 "[ . 1 . 2]" 1
823 1 52 VAL MG1 1 73 VAL H . . 4.170 3.176 2.846 3.342 . 0 0 "[ . 1 . 2]" 1
824 1 52 VAL MG1 1 74 SER H . . 5.120 4.019 3.691 4.653 . 0 0 "[ . 1 . 2]" 1
825 1 52 VAL MG2 1 53 GLU HA . . 4.170 3.979 3.767 4.149 . 0 0 "[ . 1 . 2]" 1
826 1 52 VAL MG2 1 54 PHE QD . . 3.200 2.177 1.987 2.402 . 0 0 "[ . 1 . 2]" 1
827 1 52 VAL MG2 1 70 VAL MG1 . . 3.400 2.042 1.868 2.383 . 0 0 "[ . 1 . 2]" 1
828 1 53 GLU H 1 53 GLU HB2 . . 3.900 2.847 2.644 3.078 . 0 0 "[ . 1 . 2]" 1
829 1 53 GLU H 1 53 GLU HB3 . . 3.900 2.634 2.430 2.844 . 0 0 "[ . 1 . 2]" 1
830 1 53 GLU H 1 53 GLU HG2 . . 4.980 4.523 4.369 4.687 . 0 0 "[ . 1 . 2]" 1
831 1 53 GLU H 1 53 GLU QG . . 4.270 4.072 4.020 4.155 . 0 0 "[ . 1 . 2]" 1
832 1 53 GLU H 1 53 GLU HG3 . . 4.980 4.636 4.487 4.833 . 0 0 "[ . 1 . 2]" 1
833 1 53 GLU H 1 54 PHE QD . . 5.500 4.716 4.296 5.023 . 0 0 "[ . 1 . 2]" 1
834 1 53 GLU H 1 70 VAL MG1 . . 4.780 3.773 3.299 4.120 . 0 0 "[ . 1 . 2]" 1
835 1 53 GLU H 1 71 TRP H . . 3.900 3.008 2.761 3.313 . 0 0 "[ . 1 . 2]" 1
836 1 53 GLU H 1 71 TRP HB2 . . 4.960 4.421 3.619 4.960 0.000 15 0 "[ . 1 . 2]" 1
837 1 53 GLU H 1 71 TRP QB . . 4.110 3.500 3.285 3.753 . 0 0 "[ . 1 . 2]" 1
838 1 53 GLU H 1 71 TRP HB3 . . 4.960 3.917 3.336 4.621 . 0 0 "[ . 1 . 2]" 1
839 1 53 GLU H 1 72 ARG HA . . 4.380 3.840 3.422 4.379 . 0 0 "[ . 1 . 2]" 1
840 1 53 GLU H 1 73 VAL H . . 4.380 4.007 3.040 4.379 . 0 0 "[ . 1 . 2]" 1
841 1 53 GLU H 1 73 VAL QG . . 3.880 2.966 2.219 3.478 . 0 0 "[ . 1 . 2]" 1
842 1 53 GLU HA 1 53 GLU HG2 . . 3.900 2.936 2.538 3.332 . 0 0 "[ . 1 . 2]" 1
843 1 53 GLU HA 1 53 GLU HG3 . . 3.900 2.684 2.256 3.619 . 0 0 "[ . 1 . 2]" 1
844 1 53 GLU HA 1 54 PHE H . . 3.040 2.147 2.138 2.186 . 0 0 "[ . 1 . 2]" 1
845 1 53 GLU HA 1 54 PHE QD . . 4.140 3.935 3.438 4.138 . 0 0 "[ . 1 . 2]" 1
846 1 53 GLU HA 1 54 PHE QE . . 5.500 4.893 4.558 5.095 . 0 0 "[ . 1 . 2]" 1
847 1 53 GLU HA 1 73 VAL MG1 . . 5.500 4.905 3.853 5.500 0.000 7 0 "[ . 1 . 2]" 1
848 1 53 GLU HA 1 73 VAL MG2 . . 5.500 4.736 3.321 5.500 0.000 3 0 "[ . 1 . 2]" 1
849 1 53 GLU QB 1 54 PHE H . . 4.020 3.788 3.625 3.851 . 0 0 "[ . 1 . 2]" 1
850 1 53 GLU QB 1 71 TRP QB . . 4.460 3.104 2.852 3.628 . 0 0 "[ . 1 . 2]" 1
851 1 53 GLU QB 1 73 VAL QG . . 3.160 2.573 1.942 3.071 . 0 0 "[ . 1 . 2]" 1
852 1 53 GLU HB2 1 54 PHE H . . 4.680 4.330 4.032 4.470 . 0 0 "[ . 1 . 2]" 1
853 1 53 GLU HB2 1 73 VAL MG1 . . 5.460 3.233 2.725 3.896 . 0 0 "[ . 1 . 2]" 1
854 1 53 GLU HB2 1 73 VAL MG2 . . 5.460 3.365 1.999 4.351 . 0 0 "[ . 1 . 2]" 1
855 1 53 GLU HB3 1 54 PHE H . . 4.680 4.192 3.887 4.332 . 0 0 "[ . 1 . 2]" 1
856 1 53 GLU HB3 1 73 VAL MG1 . . 5.460 3.940 3.071 5.098 . 0 0 "[ . 1 . 2]" 1
857 1 53 GLU HB3 1 73 VAL MG2 . . 5.460 4.296 2.622 5.259 . 0 0 "[ . 1 . 2]" 1
858 1 53 GLU QG 1 73 VAL QG . . 5.070 4.063 3.475 4.420 . 0 0 "[ . 1 . 2]" 1
859 1 53 GLU HG2 1 54 PHE H . . 4.170 3.156 2.395 3.694 . 0 0 "[ . 1 . 2]" 1
860 1 53 GLU HG3 1 54 PHE H . . 4.170 3.589 3.109 4.170 . 7 0 "[ . 1 . 2]" 1
861 1 54 PHE H 1 54 PHE QD . . 3.900 3.048 2.610 3.232 . 0 0 "[ . 1 . 2]" 1
862 1 54 PHE HA 1 54 PHE QD . . 4.170 3.720 3.702 3.728 . 0 0 "[ . 1 . 2]" 1
863 1 54 PHE HA 1 55 SER H . . 3.040 2.393 2.349 2.412 . 0 0 "[ . 1 . 2]" 1
864 1 54 PHE HA 1 70 VAL HA . . 3.900 3.145 2.862 3.268 . 0 0 "[ . 1 . 2]" 1
865 1 54 PHE HA 1 70 VAL MG1 . . 4.640 4.386 3.939 4.625 . 0 0 "[ . 1 . 2]" 1
866 1 54 PHE HA 1 70 VAL MG2 . . 4.680 3.870 3.644 4.053 . 0 0 "[ . 1 . 2]" 1
867 1 54 PHE HB2 1 55 SER H . . 3.170 2.454 2.411 2.566 . 0 0 "[ . 1 . 2]" 1
868 1 54 PHE HB2 1 56 VAL QG . . 5.440 5.052 4.868 5.220 . 0 0 "[ . 1 . 2]" 1
869 1 54 PHE HB2 1 67 ALA MB . . 3.580 2.398 2.020 2.825 . 0 0 "[ . 1 . 2]" 1
870 1 54 PHE HB2 1 68 CYS H . . 3.900 2.494 2.160 3.004 . 0 0 "[ . 1 . 2]" 1
871 1 54 PHE HB2 1 70 VAL HA . . 4.170 3.989 3.728 4.163 . 0 0 "[ . 1 . 2]" 1
872 1 54 PHE HB2 1 70 VAL MG2 . . 3.720 3.107 2.817 3.364 . 0 0 "[ . 1 . 2]" 1
873 1 54 PHE HB3 1 55 SER H . . 3.770 3.703 3.651 3.746 . 0 0 "[ . 1 . 2]" 1
874 1 54 PHE HB3 1 67 ALA MB . . 3.900 2.825 2.336 3.245 . 0 0 "[ . 1 . 2]" 1
875 1 54 PHE HB3 1 68 CYS H . . 4.680 3.778 3.369 4.402 . 0 0 "[ . 1 . 2]" 1
876 1 54 PHE HB3 1 70 VAL HA . . 3.940 2.741 2.490 2.999 . 0 0 "[ . 1 . 2]" 1
877 1 54 PHE HB3 1 70 VAL MG1 . . 4.170 3.041 2.558 3.416 . 0 0 "[ . 1 . 2]" 1
878 1 54 PHE HB3 1 70 VAL MG2 . . 3.580 2.426 2.083 2.714 . 0 0 "[ . 1 . 2]" 1
879 1 54 PHE QD 1 55 SER H . . 4.380 3.485 3.324 3.767 . 0 0 "[ . 1 . 2]" 1
880 1 54 PHE QD 1 56 VAL QG . . 3.460 3.139 2.857 3.351 . 0 0 "[ . 1 . 2]" 1
881 1 54 PHE QD 1 67 ALA HA . . 4.170 3.418 2.734 3.768 . 0 0 "[ . 1 . 2]" 1
882 1 54 PHE QD 1 67 ALA MB . . 3.470 3.028 2.466 3.353 . 0 0 "[ . 1 . 2]" 1
883 1 54 PHE QD 1 68 CYS H . . 4.380 4.093 3.780 4.377 . 0 0 "[ . 1 . 2]" 1
884 1 54 PHE QD 1 70 VAL MG2 . . 4.560 3.549 3.141 3.953 . 0 0 "[ . 1 . 2]" 1
885 1 54 PHE QE 1 56 VAL QG . . 3.460 2.777 2.448 3.128 . 0 0 "[ . 1 . 2]" 1
886 1 54 PHE QE 1 67 ALA MB . . 4.180 3.925 3.568 4.131 . 0 0 "[ . 1 . 2]" 1
887 1 54 PHE HZ 1 67 ALA MB . . 4.980 4.844 4.488 4.979 . 0 0 "[ . 1 . 2]" 1
888 1 55 SER H 1 55 SER HB2 . . 3.900 3.162 2.580 3.728 . 0 0 "[ . 1 . 2]" 1
889 1 55 SER H 1 55 SER QB . . 3.240 2.613 2.299 2.967 . 0 0 "[ . 1 . 2]" 1
890 1 55 SER H 1 55 SER HB3 . . 3.900 2.962 2.345 3.740 . 0 0 "[ . 1 . 2]" 1
891 1 55 SER H 1 68 CYS H . . 3.470 2.825 2.481 3.214 . 0 0 "[ . 1 . 2]" 1
892 1 55 SER H 1 68 CYS HB2 . . 5.090 4.474 3.448 5.091 0.001 7 0 "[ . 1 . 2]" 1
893 1 55 SER H 1 68 CYS QB . . 4.270 3.767 3.315 4.155 . 0 0 "[ . 1 . 2]" 1
894 1 55 SER H 1 68 CYS HB3 . . 5.090 4.271 3.499 5.090 . 0 0 "[ . 1 . 2]" 1
895 1 55 SER H 1 70 VAL MG2 . . 4.650 4.591 4.296 4.650 . 0 0 "[ . 1 . 2]" 1
896 1 55 SER HA 1 56 VAL H . . 3.170 2.163 2.140 2.186 . 0 0 "[ . 1 . 2]" 1
897 1 55 SER QB 1 56 VAL H . . 3.660 3.355 3.045 3.652 . 0 0 "[ . 1 . 2]" 1
898 1 55 SER QB 1 68 CYS QB . . 4.760 3.734 2.990 4.549 . 0 0 "[ . 1 . 2]" 1
899 1 55 SER HB2 1 56 VAL H . . 4.430 3.804 3.138 4.342 . 0 0 "[ . 1 . 2]" 1
900 1 55 SER HB2 1 57 ILE MD . . 4.680 3.297 2.303 4.105 . 0 0 "[ . 1 . 2]" 1
901 1 55 SER HB3 1 56 VAL H . . 4.430 3.962 3.175 4.405 . 0 0 "[ . 1 . 2]" 1
902 1 55 SER HB3 1 57 ILE MD . . 4.680 3.348 2.367 4.395 . 0 0 "[ . 1 . 2]" 1
903 1 56 VAL H 1 56 VAL HB . . 3.100 2.558 2.509 2.623 . 0 0 "[ . 1 . 2]" 1
904 1 56 VAL H 1 56 VAL QG . . 3.160 2.188 2.003 2.351 . 0 0 "[ . 1 . 2]" 1
905 1 56 VAL H 1 57 ILE H . . 4.970 4.422 4.306 4.559 . 0 0 "[ . 1 . 2]" 1
906 1 56 VAL HA 1 57 ILE H . . 3.170 2.149 2.140 2.175 . 0 0 "[ . 1 . 2]" 1
907 1 56 VAL HA 1 66 SER H . . 4.650 4.407 4.162 4.592 . 0 0 "[ . 1 . 2]" 1
908 1 56 VAL QG 1 57 ILE H . . 3.630 2.792 2.350 3.056 . 0 0 "[ . 1 . 2]" 1
909 1 56 VAL QG 1 57 ILE QG . . 4.530 4.343 4.139 4.439 . 0 0 "[ . 1 . 2]" 1
910 1 56 VAL QG 1 65 CYS QB . . 3.360 2.864 2.514 3.335 . 0 0 "[ . 1 . 2]" 1
911 1 56 VAL QG 1 66 SER H . . 4.120 3.897 3.529 4.075 . 0 0 "[ . 1 . 2]" 1
912 1 56 VAL QG 1 67 ALA HA . . 4.940 4.598 4.286 4.936 . 0 0 "[ . 1 . 2]" 1
913 1 57 ILE H 1 57 ILE HB . . 3.650 2.702 2.658 2.796 . 0 0 "[ . 1 . 2]" 1
914 1 57 ILE H 1 57 ILE MD . . 5.050 3.510 3.339 3.661 . 0 0 "[ . 1 . 2]" 1
915 1 57 ILE H 1 57 ILE HG12 . . 4.380 2.602 2.495 2.803 . 0 0 "[ . 1 . 2]" 1
916 1 57 ILE H 1 57 ILE QG . . 3.800 2.571 2.470 2.760 . 0 0 "[ . 1 . 2]" 1
917 1 57 ILE H 1 57 ILE HG13 . . 4.380 4.020 3.935 4.146 . 0 0 "[ . 1 . 2]" 1
918 1 57 ILE H 1 57 ILE MG . . 4.170 3.877 3.860 3.919 . 0 0 "[ . 1 . 2]" 1
919 1 57 ILE H 1 58 LEU H . . 4.380 4.366 4.340 4.380 . 0 0 "[ . 1 . 2]" 1
920 1 57 ILE H 1 66 SER H . . 3.650 3.173 2.799 3.387 . 0 0 "[ . 1 . 2]" 1
921 1 57 ILE HA 1 57 ILE MD . . 3.900 2.079 1.982 2.212 . 0 0 "[ . 1 . 2]" 1
922 1 57 ILE HA 1 57 ILE MG . . 3.580 2.231 2.198 2.297 . 0 0 "[ . 1 . 2]" 1
923 1 57 ILE HA 1 58 LEU H . . 2.760 2.150 2.145 2.174 . 0 0 "[ . 1 . 2]" 1
924 1 57 ILE HB 1 58 LEU H . . 4.140 4.116 4.004 4.138 . 0 0 "[ . 1 . 2]" 1
925 1 57 ILE HB 1 66 SER H . . 4.920 3.820 3.439 4.136 . 0 0 "[ . 1 . 2]" 1
926 1 57 ILE HB 1 68 CYS QB . . 4.570 4.002 3.399 4.333 . 0 0 "[ . 1 . 2]" 1
927 1 57 ILE MD 1 58 LEU H . . 4.510 3.704 3.591 3.831 . 0 0 "[ . 1 . 2]" 1
928 1 57 ILE MD 1 68 CYS HB2 . . 4.590 3.982 3.437 4.466 . 0 0 "[ . 1 . 2]" 1
929 1 57 ILE MD 1 68 CYS QB . . 3.790 3.553 3.151 3.788 . 0 0 "[ . 1 . 2]" 1
930 1 57 ILE MD 1 68 CYS HB3 . . 4.590 4.112 3.366 4.586 . 0 0 "[ . 1 . 2]" 1
931 1 57 ILE QG 1 57 ILE MG . . 3.140 2.235 2.196 2.293 . 0 0 "[ . 1 . 2]" 1
932 1 57 ILE QG 1 68 CYS QB . . 3.720 2.526 2.167 2.852 . 0 0 "[ . 1 . 2]" 1
933 1 57 ILE HG12 1 57 ILE MG . . 3.580 3.191 3.184 3.201 . 0 0 "[ . 1 . 2]" 1
934 1 57 ILE HG13 1 57 ILE MG . . 3.580 2.282 2.237 2.349 . 0 0 "[ . 1 . 2]" 1
935 1 57 ILE MG 1 58 LEU H . . 3.670 2.539 2.357 2.687 . 0 0 "[ . 1 . 2]" 1
936 1 57 ILE MG 1 58 LEU QB . . 4.570 4.177 4.083 4.308 . 0 0 "[ . 1 . 2]" 1
937 1 57 ILE MG 1 68 CYS HB2 . . 5.500 4.520 3.999 4.899 . 0 0 "[ . 1 . 2]" 1
938 1 57 ILE MG 1 68 CYS HB3 . . 5.500 5.168 4.577 5.446 . 0 0 "[ . 1 . 2]" 1
939 1 58 LEU H 1 58 LEU HB2 . . 3.350 3.053 2.935 3.216 . 0 0 "[ . 1 . 2]" 1
940 1 58 LEU H 1 58 LEU HB3 . . 3.350 2.397 2.349 2.469 . 0 0 "[ . 1 . 2]" 1
941 1 58 LEU H 1 58 LEU QD . . 4.740 3.818 3.554 3.877 . 0 0 "[ . 1 . 2]" 1
942 1 58 LEU HA 1 58 LEU MD1 . . 4.680 2.206 2.070 3.539 . 0 0 "[ . 1 . 2]" 1
943 1 58 LEU HA 1 58 LEU QD . . 3.470 2.178 2.063 3.160 . 0 0 "[ . 1 . 2]" 1
944 1 58 LEU HA 1 58 LEU MD2 . . 4.680 3.912 3.555 3.951 . 0 0 "[ . 1 . 2]" 1
945 1 58 LEU HA 1 59 ASN H . . 2.850 2.169 2.141 2.211 . 0 0 "[ . 1 . 2]" 1
946 1 58 LEU HA 1 59 ASN QB . . 4.570 4.129 3.970 4.179 . 0 0 "[ . 1 . 2]" 1
947 1 58 LEU HA 1 65 CYS HA . . 3.720 2.953 2.577 3.105 . 0 0 "[ . 1 . 2]" 1
948 1 58 LEU HA 1 66 SER H . . 4.630 4.474 3.843 4.629 . 0 0 "[ . 1 . 2]" 1
949 1 58 LEU QB 1 58 LEU QD . . 2.780 1.915 1.769 1.953 . 0 0 "[ . 1 . 2]" 1
950 1 58 LEU HB2 1 59 ASN H . . 4.380 4.055 3.955 4.201 . 0 0 "[ . 1 . 2]" 1
951 1 58 LEU HB3 1 59 ASN H . . 4.380 4.231 4.114 4.347 . 0 0 "[ . 1 . 2]" 1
952 1 58 LEU QD 1 59 ASN H . . 3.500 2.252 1.938 3.406 . 0 0 "[ . 1 . 2]" 1
953 1 58 LEU QD 1 60 GLN HA . . 3.900 3.735 2.254 3.887 . 0 0 "[ . 1 . 2]" 1
954 1 58 LEU QD 1 60 GLN QG . . 3.870 3.500 2.142 3.866 . 0 0 "[ . 1 . 2]" 1
955 1 58 LEU QD 1 63 GLY H . . 4.350 3.978 3.507 4.347 . 0 0 "[ . 1 . 2]" 1
956 1 58 LEU QD 1 63 GLY QA . . 3.370 2.768 2.280 3.325 . 0 0 "[ . 1 . 2]" 1
957 1 58 LEU QD 1 65 CYS HA . . 4.150 3.623 3.350 4.053 . 0 0 "[ . 1 . 2]" 1
958 1 58 LEU MD1 1 59 ASN H . . 4.470 2.309 1.941 4.439 . 0 0 "[ . 1 . 2]" 1
959 1 58 LEU MD1 1 60 GLN HA . . 4.680 4.149 3.850 4.438 . 0 0 "[ . 1 . 2]" 1
960 1 58 LEU MD2 1 59 ASN H . . 4.470 4.383 3.538 4.470 0.000 9 0 "[ . 1 . 2]" 1
961 1 58 LEU MD2 1 60 GLN HA . . 4.680 4.379 2.261 4.644 . 0 0 "[ . 1 . 2]" 1
962 1 58 LEU HG 1 59 ASN H . . 4.680 3.123 2.877 3.350 . 0 0 "[ . 1 . 2]" 1
963 1 58 LEU HG 1 60 GLN HA . . 4.170 4.041 3.922 4.170 . 0 0 "[ . 1 . 2]" 1
964 1 59 ASN H 1 59 ASN HB2 . . 3.560 2.326 2.241 2.715 . 0 0 "[ . 1 . 2]" 1
965 1 59 ASN H 1 59 ASN QB . . 3.010 2.278 2.217 2.469 . 0 0 "[ . 1 . 2]" 1
966 1 59 ASN H 1 59 ASN HB3 . . 3.560 3.432 2.837 3.559 . 0 0 "[ . 1 . 2]" 1
967 1 59 ASN H 1 64 LYS H . . 4.380 3.483 3.042 4.351 . 0 0 "[ . 1 . 2]" 1
968 1 59 ASN H 1 65 CYS HA . . 3.900 3.792 3.496 3.900 0.000 6 0 "[ . 1 . 2]" 1
969 1 59 ASN QB 1 64 LYS H . . 3.710 2.783 2.403 3.703 . 0 0 "[ . 1 . 2]" 1
970 1 59 ASN HB2 1 62 THR H . . 4.380 3.743 3.319 4.343 . 0 0 "[ . 1 . 2]" 1
971 1 59 ASN HB2 1 62 THR MG . . 4.680 4.260 3.746 4.637 . 0 0 "[ . 1 . 2]" 1
972 1 59 ASN HB2 1 63 GLY H . . 4.380 3.045 2.670 4.378 . 0 0 "[ . 1 . 2]" 1
973 1 59 ASN HB3 1 62 THR H . . 4.380 2.400 2.221 2.847 . 0 0 "[ . 1 . 2]" 1
974 1 59 ASN HB3 1 62 THR MG . . 4.680 3.636 3.202 3.875 . 0 0 "[ . 1 . 2]" 1
975 1 59 ASN HB3 1 63 GLY H . . 4.380 2.778 2.145 3.215 . 0 0 "[ . 1 . 2]" 1
976 1 59 ASN QD 1 62 THR HG1 . . 4.090 2.569 1.962 3.164 . 0 0 "[ . 1 . 2]" 1
977 1 59 ASN QD 1 62 THR MG . . 4.010 3.012 2.085 3.413 . 0 0 "[ . 1 . 2]" 1
978 1 59 ASN HD21 1 62 THR HG1 . . 4.920 2.605 1.970 3.256 . 0 0 "[ . 1 . 2]" 1
979 1 59 ASN HD21 1 62 THR MG . . 4.650 3.102 2.144 3.539 . 0 0 "[ . 1 . 2]" 1
980 1 59 ASN HD22 1 62 THR HG1 . . 4.920 4.073 3.264 4.760 . 0 0 "[ . 1 . 2]" 1
981 1 59 ASN HD22 1 62 THR MG . . 4.650 4.235 2.846 4.598 . 0 0 "[ . 1 . 2]" 1
982 1 60 GLN H 1 61 ARG H . . 4.380 2.391 2.263 2.760 . 0 0 "[ . 1 . 2]" 1
983 1 60 GLN HA 1 60 GLN HG2 . . 3.900 2.694 2.220 3.599 . 0 0 "[ . 1 . 2]" 1
984 1 60 GLN HA 1 60 GLN HG3 . . 3.900 2.837 2.201 3.704 . 0 0 "[ . 1 . 2]" 1
985 1 60 GLN HA 1 61 ARG HA . . 4.980 4.777 4.732 4.844 . 0 0 "[ . 1 . 2]" 1
986 1 60 GLN HA 1 63 GLY H . . 4.390 4.307 4.076 4.391 0.001 10 0 "[ . 1 . 2]" 1
987 1 60 GLN QB 1 61 ARG H . . 4.290 2.869 2.789 2.945 . 0 0 "[ . 1 . 2]" 1
988 1 60 GLN QB 1 61 ARG HA . . 4.300 3.928 3.869 3.956 . 0 0 "[ . 1 . 2]" 1
989 1 61 ARG H 1 61 ARG HB2 . . 3.210 2.398 2.250 2.612 . 0 0 "[ . 1 . 2]" 1
990 1 61 ARG H 1 61 ARG HB3 . . 3.510 2.681 2.482 2.840 . 0 0 "[ . 1 . 2]" 1
991 1 61 ARG H 1 61 ARG QG . . 4.550 4.015 3.936 4.066 . 0 0 "[ . 1 . 2]" 1
992 1 61 ARG H 1 62 THR H . . 3.250 2.675 2.585 2.853 . 0 0 "[ . 1 . 2]" 1
993 1 61 ARG H 1 62 THR MG . . 4.920 4.669 4.329 4.853 . 0 0 "[ . 1 . 2]" 1
994 1 61 ARG HA 1 61 ARG HD2 . . 4.680 3.580 2.322 4.646 . 0 0 "[ . 1 . 2]" 1
995 1 61 ARG HA 1 61 ARG HD3 . . 4.680 3.469 2.066 4.668 . 0 0 "[ . 1 . 2]" 1
996 1 61 ARG HA 1 61 ARG HG2 . . 3.900 3.491 2.746 3.799 . 0 0 "[ . 1 . 2]" 1
997 1 61 ARG HA 1 61 ARG HG3 . . 3.900 2.578 2.252 3.017 . 0 0 "[ . 1 . 2]" 1
998 1 61 ARG HB2 1 61 ARG HD2 . . 4.090 3.096 2.171 3.666 . 0 0 "[ . 1 . 2]" 1
999 1 61 ARG HB2 1 61 ARG HD3 . . 4.090 2.666 2.129 3.586 . 0 0 "[ . 1 . 2]" 1
1000 1 61 ARG HB3 1 62 THR H . . 3.500 2.399 2.220 2.521 . 0 0 "[ . 1 . 2]" 1
1001 1 61 ARG HB3 1 62 THR HA . . 4.680 4.249 4.092 4.392 . 0 0 "[ . 1 . 2]" 1
1002 1 61 ARG HB3 1 62 THR MG . . 3.580 2.992 2.745 3.291 . 0 0 "[ . 1 . 2]" 1
1003 1 61 ARG HB3 1 63 GLY H . . 4.920 4.870 4.704 4.921 0.001 9 0 "[ . 1 . 2]" 1
1004 1 61 ARG QG 1 62 THR MG . . 4.020 3.241 2.719 3.633 . 0 0 "[ . 1 . 2]" 1
1005 1 61 ARG HG2 1 62 THR MG . . 4.810 3.581 2.752 4.075 . 0 0 "[ . 1 . 2]" 1
1006 1 61 ARG HG3 1 62 THR MG . . 4.810 4.021 2.958 4.795 . 0 0 "[ . 1 . 2]" 1
1007 1 62 THR H 1 62 THR MG . . 3.470 2.681 2.323 2.942 . 0 0 "[ . 1 . 2]" 1
1008 1 62 THR H 1 63 GLY H . . 3.100 2.491 2.421 2.644 . 0 0 "[ . 1 . 2]" 1
1009 1 62 THR HA 1 62 THR MG . . 3.250 2.277 2.106 2.385 . 0 0 "[ . 1 . 2]" 1
1010 1 62 THR HB 1 64 LYS H . . 3.900 3.497 2.745 3.814 . 0 0 "[ . 1 . 2]" 1
1011 1 62 THR HB 1 64 LYS QB . . 4.570 3.862 3.285 4.176 . 0 0 "[ . 1 . 2]" 1
1012 1 62 THR HB 1 64 LYS HD2 . . 5.400 4.061 3.002 5.130 . 0 0 "[ . 1 . 2]" 1
1013 1 62 THR HB 1 64 LYS QD . . 4.630 3.513 2.333 4.126 . 0 0 "[ . 1 . 2]" 1
1014 1 62 THR HB 1 64 LYS HD3 . . 5.400 4.168 2.347 5.366 . 0 0 "[ . 1 . 2]" 1
1015 1 62 THR HB 1 64 LYS QG . . 3.970 2.758 2.180 3.704 . 0 0 "[ . 1 . 2]" 1
1016 1 62 THR HG1 1 64 LYS H . . 4.380 3.206 2.303 3.684 . 0 0 "[ . 1 . 2]" 1
1017 1 62 THR MG 1 63 GLY H . . 4.680 3.819 3.752 3.919 . 0 0 "[ . 1 . 2]" 1
1018 1 62 THR MG 1 64 LYS QD . . 4.810 3.963 2.895 4.772 . 0 0 "[ . 1 . 2]" 1
1019 1 63 GLY H 1 64 LYS H . . 2.940 2.105 1.900 2.581 . 0 0 "[ . 1 . 2]" 1
1020 1 64 LYS H 1 64 LYS HB2 . . 3.870 3.226 2.351 3.804 . 0 0 "[ . 1 . 2]" 1
1021 1 64 LYS H 1 64 LYS QB . . 3.090 2.781 2.321 3.039 . 0 0 "[ . 1 . 2]" 1
1022 1 64 LYS H 1 64 LYS HB3 . . 3.870 3.417 2.636 3.826 . 0 0 "[ . 1 . 2]" 1
1023 1 64 LYS H 1 64 LYS HG2 . . 3.900 2.869 2.047 3.874 . 0 0 "[ . 1 . 2]" 1
1024 1 64 LYS H 1 64 LYS QG . . 3.350 2.419 2.032 2.846 . 0 0 "[ . 1 . 2]" 1
1025 1 64 LYS H 1 64 LYS HG3 . . 3.900 3.053 2.447 3.876 . 0 0 "[ . 1 . 2]" 1
1026 1 64 LYS HA 1 65 CYS H . . 2.980 2.497 2.286 2.563 . 0 0 "[ . 1 . 2]" 1
1027 1 64 LYS QB 1 65 CYS H . . 3.650 2.255 2.124 2.678 . 0 0 "[ . 1 . 2]" 1
1028 1 64 LYS HB2 1 65 CYS H . . 4.380 2.796 2.139 3.879 . 0 0 "[ . 1 . 2]" 1
1029 1 64 LYS HB3 1 65 CYS H . . 4.380 2.992 2.178 3.872 . 0 0 "[ . 1 . 2]" 1
1030 1 64 LYS QE 1 64 LYS QG . . 3.310 2.230 2.086 2.430 . 0 0 "[ . 1 . 2]" 1
1031 1 65 CYS H 1 65 CYS QB . . 3.440 2.747 2.559 3.076 . 0 0 "[ . 1 . 2]" 1
1032 1 65 CYS HA 1 66 SER H . . 2.850 2.333 2.265 2.448 . 0 0 "[ . 1 . 2]" 1
1033 1 65 CYS QB 1 66 SER H . . 3.240 2.578 2.331 2.744 . 0 0 "[ . 1 . 2]" 1
1034 1 65 CYS HB2 1 66 SER H . . 3.900 3.384 2.526 3.801 . 0 0 "[ . 1 . 2]" 1
1035 1 65 CYS HB3 1 66 SER H . . 3.900 2.919 2.372 3.836 . 0 0 "[ . 1 . 2]" 1
1036 1 66 SER HA 1 67 ALA H . . 3.250 2.514 2.345 2.606 . 0 0 "[ . 1 . 2]" 1
1037 1 66 SER QB 1 67 ALA H . . 3.240 2.350 2.044 3.153 . 0 0 "[ . 1 . 2]" 1
1038 1 66 SER HB2 1 67 ALA H . . 3.870 2.688 2.056 3.749 . 0 0 "[ . 1 . 2]" 1
1039 1 66 SER HB3 1 67 ALA H . . 3.870 3.380 2.088 3.836 . 0 0 "[ . 1 . 2]" 1
1040 1 67 ALA H 1 67 ALA MB . . 3.170 2.239 2.158 2.398 . 0 0 "[ . 1 . 2]" 1
1041 1 67 ALA H 1 68 CYS H . . 5.360 4.533 4.389 4.578 . 0 0 "[ . 1 . 2]" 1
1042 1 67 ALA H 1 70 VAL MG2 . . 5.270 4.759 4.313 5.041 . 0 0 "[ . 1 . 2]" 1
1043 1 67 ALA HA 1 68 CYS H . . 3.040 2.332 2.142 2.525 . 0 0 "[ . 1 . 2]" 1
1044 1 67 ALA MB 1 68 CYS H . . 3.650 2.639 2.139 3.306 . 0 0 "[ . 1 . 2]" 1
1045 1 67 ALA MB 1 70 VAL H . . 5.500 4.365 4.063 4.765 . 0 0 "[ . 1 . 2]" 1
1046 1 67 ALA MB 1 70 VAL MG2 . . 3.310 2.163 1.854 2.423 . 0 0 "[ . 1 . 2]" 1
1047 1 68 CYS H 1 68 CYS QB . . 3.490 2.701 2.429 2.908 . 0 0 "[ . 1 . 2]" 1
1048 1 68 CYS H 1 70 VAL MG2 . . 4.380 3.334 2.887 3.871 . 0 0 "[ . 1 . 2]" 1
1049 1 68 CYS QB 1 69 ASN H . . 3.420 3.289 2.882 3.420 0.000 6 0 "[ . 1 . 2]" 1
1050 1 68 CYS QB 1 69 ASN HA . . 5.130 4.835 4.490 4.975 . 0 0 "[ . 1 . 2]" 1
1051 1 68 CYS QB 1 69 ASN QD . . 4.630 3.402 2.278 4.626 . 0 0 "[ . 1 . 2]" 1
1052 1 69 ASN H 1 70 VAL H . . 3.900 2.831 2.701 2.925 . 0 0 "[ . 1 . 2]" 1
1053 1 69 ASN HA 1 70 VAL H . . 3.170 2.727 2.592 2.825 . 0 0 "[ . 1 . 2]" 1
1054 1 70 VAL H 1 70 VAL HB . . 3.350 2.619 2.538 2.685 . 0 0 "[ . 1 . 2]" 1
1055 1 70 VAL H 1 70 VAL MG1 . . 4.680 3.763 3.756 3.780 . 0 0 "[ . 1 . 2]" 1
1056 1 70 VAL H 1 70 VAL MG2 . . 3.170 2.119 1.948 2.249 . 0 0 "[ . 1 . 2]" 1
1057 1 70 VAL HA 1 70 VAL MG1 . . 3.470 2.274 2.219 2.333 . 0 0 "[ . 1 . 2]" 1
1058 1 70 VAL HA 1 70 VAL MG2 . . 3.580 2.368 2.308 2.431 . 0 0 "[ . 1 . 2]" 1
1059 1 70 VAL HA 1 71 TRP H . . 3.170 2.150 2.140 2.206 . 0 0 "[ . 1 . 2]" 1
1060 1 70 VAL HA 1 71 TRP QB . . 5.340 4.144 4.036 4.393 . 0 0 "[ . 1 . 2]" 1
1061 1 70 VAL MG1 1 71 TRP H . . 3.900 2.776 2.320 3.293 . 0 0 "[ . 1 . 2]" 1
1062 1 71 TRP H 1 71 TRP HB2 . . 3.900 2.825 2.345 3.196 . 0 0 "[ . 1 . 2]" 1
1063 1 71 TRP H 1 71 TRP HB3 . . 3.900 3.053 2.490 3.702 . 0 0 "[ . 1 . 2]" 1
1064 1 71 TRP H 1 71 TRP HD1 . . 4.430 3.894 2.938 4.469 0.039 13 0 "[ . 1 . 2]" 1
1065 1 71 TRP H 1 72 ARG H . . 4.650 4.389 4.275 4.465 . 0 0 "[ . 1 . 2]" 1
1066 1 71 TRP HA 1 71 TRP HD1 . . 4.680 3.543 2.682 4.262 . 0 0 "[ . 1 . 2]" 1
1067 1 71 TRP HA 1 71 TRP HE3 . . 4.680 3.937 3.311 4.680 0.000 6 0 "[ . 1 . 2]" 1
1068 1 71 TRP HA 1 72 ARG H . . 3.040 2.171 2.141 2.216 . 0 0 "[ . 1 . 2]" 1
1069 1 71 TRP QB 1 72 ARG H . . 3.660 3.462 3.157 3.657 . 0 0 "[ . 1 . 2]" 1
1070 1 71 TRP QB 1 72 ARG HA . . 5.340 4.705 4.386 4.966 . 0 0 "[ . 1 . 2]" 1
1071 1 71 TRP HB2 1 71 TRP HE3 . . 4.170 3.063 2.512 3.927 . 0 0 "[ . 1 . 2]" 1
1072 1 71 TRP HB2 1 72 ARG H . . 4.430 4.196 3.939 4.430 . 0 0 "[ . 1 . 2]" 1
1073 1 71 TRP HB3 1 71 TRP HE3 . . 4.170 3.265 2.415 4.072 . 0 0 "[ . 1 . 2]" 1
1074 1 71 TRP HB3 1 72 ARG H . . 4.430 3.790 3.244 4.207 . 0 0 "[ . 1 . 2]" 1
1075 1 72 ARG H 1 72 ARG HB2 . . 3.900 2.410 2.236 2.634 . 0 0 "[ . 1 . 2]" 1
1076 1 72 ARG H 1 72 ARG QB . . 3.170 2.260 2.160 2.354 . 0 0 "[ . 1 . 2]" 1
1077 1 72 ARG H 1 72 ARG HB3 . . 3.900 2.769 2.624 2.863 . 0 0 "[ . 1 . 2]" 1
1078 1 72 ARG H 1 72 ARG HG2 . . 5.050 4.485 4.440 4.520 . 0 0 "[ . 1 . 2]" 1
1079 1 72 ARG H 1 72 ARG QG . . 4.360 3.945 3.849 4.027 . 0 0 "[ . 1 . 2]" 1
1080 1 72 ARG H 1 72 ARG HG3 . . 5.050 4.380 4.199 4.564 . 0 0 "[ . 1 . 2]" 1
1081 1 72 ARG HA 1 72 ARG HD2 . . 5.420 4.730 4.686 4.797 . 0 0 "[ . 1 . 2]" 1
1082 1 72 ARG HA 1 72 ARG HG2 . . 4.210 2.565 2.434 2.726 . 0 0 "[ . 1 . 2]" 1
1083 1 72 ARG HA 1 72 ARG QG . . 3.480 2.347 2.291 2.428 . 0 0 "[ . 1 . 2]" 1
1084 1 72 ARG HA 1 72 ARG HG3 . . 4.210 2.732 2.655 2.792 . 0 0 "[ . 1 . 2]" 1
1085 1 72 ARG HA 1 73 VAL H . . 3.100 2.151 2.140 2.200 . 0 0 "[ . 1 . 2]" 1
1086 1 72 ARG HA 1 73 VAL HA . . 4.680 4.393 4.373 4.423 . 0 0 "[ . 1 . 2]" 1
1087 1 72 ARG HA 1 73 VAL QG . . 4.150 3.435 3.268 3.720 . 0 0 "[ . 1 . 2]" 1
1088 1 72 ARG QB 1 72 ARG HD2 . . 3.580 3.267 3.217 3.293 . 0 0 "[ . 1 . 2]" 1
1089 1 72 ARG QB 1 72 ARG HD3 . . 3.580 2.333 2.219 2.472 . 0 0 "[ . 1 . 2]" 1
1090 1 72 ARG HB2 1 72 ARG HD2 . . 4.170 3.751 3.615 3.852 . 0 0 "[ . 1 . 2]" 1
1091 1 72 ARG HB2 1 72 ARG HD3 . . 4.170 2.678 2.597 2.779 . 0 0 "[ . 1 . 2]" 1
1092 1 72 ARG HB3 1 72 ARG HD2 . . 4.170 3.598 3.574 3.625 . 0 0 "[ . 1 . 2]" 1
1093 1 72 ARG HB3 1 72 ARG HD3 . . 4.170 2.576 2.384 2.882 . 0 0 "[ . 1 . 2]" 1
1094 1 72 ARG HE 1 73 VAL HA . . 4.680 4.599 4.285 4.686 0.006 9 0 "[ . 1 . 2]" 1
1095 1 72 ARG HE 1 73 VAL QG . . 5.440 4.966 4.732 5.223 . 0 0 "[ . 1 . 2]" 1
1096 1 72 ARG QG 1 73 VAL H . . 3.600 2.809 2.345 3.256 . 0 0 "[ . 1 . 2]" 1
1097 1 72 ARG QG 1 74 SER H . . 3.600 2.717 2.517 3.212 . 0 0 "[ . 1 . 2]" 1
1098 1 73 VAL H 1 73 VAL HB . . 3.870 3.312 2.607 3.789 . 0 0 "[ . 1 . 2]" 1
1099 1 73 VAL H 1 73 VAL MG1 . . 4.170 2.879 1.936 3.849 . 0 0 "[ . 1 . 2]" 1
1100 1 73 VAL H 1 73 VAL QG . . 3.310 2.060 1.879 2.519 . 0 0 "[ . 1 . 2]" 1
1101 1 73 VAL H 1 73 VAL MG2 . . 4.170 2.371 1.924 3.841 . 0 0 "[ . 1 . 2]" 1
1102 1 73 VAL H 1 74 SER H . . 3.470 2.103 1.896 2.405 . 0 0 "[ . 1 . 2]" 1
1103 1 73 VAL HA 1 73 VAL MG1 . . 3.470 2.427 2.174 3.204 . 0 0 "[ . 1 . 2]" 1
1104 1 73 VAL HA 1 73 VAL MG2 . . 3.470 2.858 2.265 3.203 . 0 0 "[ . 1 . 2]" 1
1105 1 73 VAL HB 1 74 SER H . . 4.140 3.615 2.408 4.119 . 0 0 "[ . 1 . 2]" 1
1106 1 73 VAL MG1 1 74 SER H . . 4.380 3.653 2.286 4.104 . 0 0 "[ . 1 . 2]" 1
1107 1 73 VAL MG2 1 74 SER H . . 4.380 2.827 1.926 3.850 . 0 0 "[ . 1 . 2]" 1
1108 1 74 SER H 1 74 SER HB2 . . 4.170 3.015 2.209 3.851 . 0 0 "[ . 1 . 2]" 1
1109 1 74 SER H 1 74 SER HB3 . . 4.170 2.861 2.220 3.880 . 0 0 "[ . 1 . 2]" 1
1110 1 74 SER HA 1 75 GLY H . . 3.100 2.427 2.190 3.055 . 0 0 "[ . 1 . 2]" 1
1111 1 74 SER HA 1 75 GLY QA . . 4.340 3.950 3.889 4.261 . 0 0 "[ . 1 . 2]" 1
1112 1 74 SER HB2 1 75 GLY H . . 4.140 3.706 2.438 4.154 0.014 9 0 "[ . 1 . 2]" 1
1113 1 74 SER HB3 1 75 GLY H . . 4.140 3.700 3.099 4.149 0.009 10 0 "[ . 1 . 2]" 1
1114 1 75 GLY QA 1 76 PRO QD . . 2.670 2.013 1.972 2.035 . 0 0 "[ . 1 . 2]" 1
1115 1 75 GLY HA2 1 76 PRO HD2 . . 3.470 2.792 2.574 2.972 . 0 0 "[ . 1 . 2]" 1
1116 1 75 GLY HA2 1 76 PRO HD3 . . 3.470 2.537 2.382 2.684 . 0 0 "[ . 1 . 2]" 1
1117 1 75 GLY HA3 1 76 PRO HD2 . . 3.470 2.256 2.108 2.452 . 0 0 "[ . 1 . 2]" 1
1118 1 75 GLY HA3 1 76 PRO HD3 . . 3.470 3.130 2.954 3.340 . 0 0 "[ . 1 . 2]" 1
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