NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
435909 |
2jzy   |
15632 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2jzy
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 1463
_Distance_constraint_stats_list.Viol_count 1180
_Distance_constraint_stats_list.Viol_total 410.237
_Distance_constraint_stats_list.Viol_max 0.192
_Distance_constraint_stats_list.Viol_rms 0.0051
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0174
_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 3 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 THR 0.032 0.009 1 0 "[ . 1 . 2]"
1 5 VAL 0.021 0.005 19 0 "[ . 1 . 2]"
1 6 CYS 0.088 0.016 12 0 "[ . 1 . 2]"
1 7 THR 0.288 0.024 3 0 "[ . 1 . 2]"
1 8 ILE 1.210 0.054 8 0 "[ . 1 . 2]"
1 9 ALA 1.011 0.089 12 0 "[ . 1 . 2]"
1 10 ASP 0.461 0.090 17 0 "[ . 1 . 2]"
1 11 MET 2.093 0.089 12 0 "[ . 1 . 2]"
1 12 THR 0.501 0.029 12 0 "[ . 1 . 2]"
1 13 VAL 0.240 0.042 19 0 "[ . 1 . 2]"
1 14 ASP 0.476 0.037 15 0 "[ . 1 . 2]"
1 15 MET 0.032 0.009 1 0 "[ . 1 . 2]"
1 16 VAL 0.104 0.014 12 0 "[ . 1 . 2]"
1 17 ARG 0.195 0.049 1 0 "[ . 1 . 2]"
1 18 ARG 0.083 0.049 1 0 "[ . 1 . 2]"
1 19 THR 0.363 0.019 9 0 "[ . 1 . 2]"
1 20 VAL 0.487 0.037 15 0 "[ . 1 . 2]"
1 21 ILE 0.487 0.076 17 0 "[ . 1 . 2]"
1 22 ARG 0.170 0.048 12 0 "[ . 1 . 2]"
1 23 SER 0.607 0.090 17 0 "[ . 1 . 2]"
1 24 GLY 0.174 0.077 12 0 "[ . 1 . 2]"
1 25 LYS 0.418 0.077 12 0 "[ . 1 . 2]"
1 26 LYS 0.583 0.048 12 0 "[ . 1 . 2]"
1 27 ILE 0.554 0.098 4 0 "[ . 1 . 2]"
1 28 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.060 0.013 17 0 "[ . 1 . 2]"
1 30 THR 0.090 0.018 9 0 "[ . 1 . 2]"
1 31 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.342 0.052 12 0 "[ . 1 . 2]"
1 33 GLU 0.006 0.006 7 0 "[ . 1 . 2]"
1 34 TYR 0.085 0.018 9 0 "[ . 1 . 2]"
1 35 VAL 1.467 0.057 5 0 "[ . 1 . 2]"
1 36 LEU 0.504 0.060 10 0 "[ . 1 . 2]"
1 37 LEU 0.339 0.060 10 0 "[ . 1 . 2]"
1 38 GLU 0.140 0.015 20 0 "[ . 1 . 2]"
1 39 LEU 0.471 0.087 16 0 "[ . 1 . 2]"
1 40 LEU 0.547 0.047 19 0 "[ . 1 . 2]"
1 41 LEU 0.168 0.042 19 0 "[ . 1 . 2]"
1 42 GLN 1.270 0.151 18 0 "[ . 1 . 2]"
1 43 ARG 0.764 0.103 20 0 "[ . 1 . 2]"
1 44 THR 1.650 0.151 18 0 "[ . 1 . 2]"
1 45 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.309 0.035 3 0 "[ . 1 . 2]"
1 47 VAL 0.254 0.044 5 0 "[ . 1 . 2]"
1 48 LEU 0.423 0.043 11 0 "[ . 1 . 2]"
1 49 PRO 0.315 0.044 20 0 "[ . 1 . 2]"
1 50 ARG 0.415 0.043 18 0 "[ . 1 . 2]"
1 52 LEU 0.094 0.016 13 0 "[ . 1 . 2]"
1 53 ILE 0.474 0.077 20 0 "[ . 1 . 2]"
1 54 SER 0.153 0.022 5 0 "[ . 1 . 2]"
1 55 SER 0.060 0.011 13 0 "[ . 1 . 2]"
1 56 LEU 0.864 0.045 15 0 "[ . 1 . 2]"
1 57 VAL 0.722 0.057 5 0 "[ . 1 . 2]"
1 58 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 0.015 0.008 10 0 "[ . 1 . 2]"
1 60 MET 0.048 0.010 7 0 "[ . 1 . 2]"
1 61 ASN 0.004 0.004 15 0 "[ . 1 . 2]"
1 62 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.065 0.020 7 0 "[ . 1 . 2]"
1 64 SER 0.103 0.020 7 0 "[ . 1 . 2]"
1 65 ASP 0.035 0.019 10 0 "[ . 1 . 2]"
1 66 THR 0.823 0.096 10 0 "[ . 1 . 2]"
1 67 ASN 0.074 0.042 5 0 "[ . 1 . 2]"
1 68 VAL 0.032 0.019 10 0 "[ . 1 . 2]"
1 69 ILE 1.291 0.096 10 0 "[ . 1 . 2]"
1 70 ASP 0.181 0.042 5 0 "[ . 1 . 2]"
1 71 VAL 0.256 0.036 2 0 "[ . 1 . 2]"
1 72 ALA 0.229 0.055 19 0 "[ . 1 . 2]"
1 73 VAL 0.979 0.123 19 0 "[ . 1 . 2]"
1 74 ARG 0.057 0.025 9 0 "[ . 1 . 2]"
1 75 ARG 0.434 0.085 19 0 "[ . 1 . 2]"
1 76 LEU 0.147 0.030 8 0 "[ . 1 . 2]"
1 77 ARG 1.324 0.123 19 0 "[ . 1 . 2]"
1 78 SER 1.096 0.174 13 0 "[ . 1 . 2]"
1 79 LYS 0.344 0.092 13 0 "[ . 1 . 2]"
1 80 ILE 0.892 0.071 17 0 "[ . 1 . 2]"
1 81 ASP 0.004 0.004 16 0 "[ . 1 . 2]"
1 82 ASP 0.742 0.192 16 0 "[ . 1 . 2]"
1 83 ASP 0.205 0.063 14 0 "[ . 1 . 2]"
1 84 PHE 0.806 0.098 4 0 "[ . 1 . 2]"
1 85 GLU 0.122 0.097 4 0 "[ . 1 . 2]"
1 86 PRO 0.075 0.029 4 0 "[ . 1 . 2]"
1 87 LYS 0.112 0.027 4 0 "[ . 1 . 2]"
1 88 LEU 0.413 0.031 14 0 "[ . 1 . 2]"
1 89 ILE 0.567 0.046 11 0 "[ . 1 . 2]"
1 90 HIS 0.015 0.013 19 0 "[ . 1 . 2]"
1 91 THR 0.693 0.049 3 0 "[ . 1 . 2]"
1 92 VAL 0.293 0.044 5 0 "[ . 1 . 2]"
1 94 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 ALA 0.172 0.024 15 0 "[ . 1 . 2]"
1 96 GLY 0.206 0.027 13 0 "[ . 1 . 2]"
1 97 TYR 0.399 0.077 20 0 "[ . 1 . 2]"
1 98 VAL 1.255 0.057 16 0 "[ . 1 . 2]"
1 99 LEU 0.457 0.103 20 0 "[ . 1 . 2]"
1 100 GLU 0.072 0.030 6 0 "[ . 1 . 2]"
1 101 ILE 0.639 0.074 19 0 "[ . 1 . 2]"
1 102 ARG 0.129 0.032 8 0 "[ . 1 . 2]"
1 103 GLU 0.000 0.000 7 0 "[ . 1 . 2]"
1 104 GLU 0.136 0.035 8 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 43 ARG HB3 1 44 THR H . . 4.720 4.358 4.220 4.521 . 0 0 "[ . 1 . 2]" 1
2 1 42 GLN H 1 44 THR H . . 4.380 4.008 3.973 4.046 . 0 0 "[ . 1 . 2]" 1
3 1 43 ARG HA 1 44 THR H . . 3.180 2.997 2.968 3.033 . 0 0 "[ . 1 . 2]" 1
4 1 41 LEU HA 1 44 THR H . . 3.640 3.431 3.338 3.591 . 0 0 "[ . 1 . 2]" 1
5 1 43 ARG H 1 44 THR H . . 3.300 2.640 2.517 2.727 . 0 0 "[ . 1 . 2]" 1
6 1 44 THR H 1 44 THR HB . . 3.110 2.477 2.427 2.538 . 0 0 "[ . 1 . 2]" 1
7 1 44 THR H 1 44 THR MG . . 2.720 2.201 2.087 2.294 . 0 0 "[ . 1 . 2]" 1
8 1 42 GLN HB3 1 44 THR H . . 4.880 4.773 4.684 4.886 0.006 20 0 "[ . 1 . 2]" 1
9 1 44 THR H 1 45 GLY H . . 4.830 4.597 4.538 4.633 . 0 0 "[ . 1 . 2]" 1
10 1 43 ARG HB2 1 44 THR H . . 4.800 4.038 3.971 4.111 . 0 0 "[ . 1 . 2]" 1
11 1 52 LEU H 1 54 SER H . . 4.490 4.307 4.001 4.489 . 0 0 "[ . 1 . 2]" 1
12 1 49 PRO HB3 1 52 LEU H . . 4.890 4.457 4.279 4.804 . 0 0 "[ . 1 . 2]" 1
13 1 52 LEU H 1 53 ILE MD . . 5.040 4.877 4.370 5.050 0.010 3 0 "[ . 1 . 2]" 1
14 1 49 PRO HB2 1 52 LEU H . . 3.920 2.751 2.584 3.094 . 0 0 "[ . 1 . 2]" 1
15 1 52 LEU H 1 53 ILE HA . . 5.470 5.354 5.214 5.459 . 0 0 "[ . 1 . 2]" 1
16 1 52 LEU H 1 52 LEU HB3 . . 3.660 2.476 2.295 2.627 . 0 0 "[ . 1 . 2]" 1
17 1 52 LEU H 1 53 ILE H . . 3.580 2.783 2.615 2.915 . 0 0 "[ . 1 . 2]" 1
18 1 49 PRO HA 1 52 LEU H . . 5.110 4.988 4.797 5.126 0.016 13 0 "[ . 1 . 2]" 1
19 1 52 LEU H 1 52 LEU HB2 . . 3.660 2.544 2.390 2.743 . 0 0 "[ . 1 . 2]" 1
20 1 52 LEU H 1 52 LEU HG . . 4.670 4.453 4.318 4.552 . 0 0 "[ . 1 . 2]" 1
21 1 52 LEU H 1 55 SER H . . 5.090 4.808 4.717 4.904 . 0 0 "[ . 1 . 2]" 1
22 1 41 LEU H 1 43 ARG H . . 4.700 4.197 4.059 4.300 . 0 0 "[ . 1 . 2]" 1
23 1 43 ARG H 1 44 THR MG . . 4.610 4.471 4.429 4.502 . 0 0 "[ . 1 . 2]" 1
24 1 43 ARG H 1 48 LEU MD1 . . 4.070 3.789 3.235 4.081 0.011 7 0 "[ . 1 . 2]" 1
25 1 43 ARG H 1 99 LEU MD2 . . 5.500 4.837 4.367 5.396 . 0 0 "[ . 1 . 2]" 1
26 1 39 LEU HA 1 43 ARG H . . 4.140 3.863 3.617 4.086 . 0 0 "[ . 1 . 2]" 1
27 1 43 ARG H 1 43 ARG HB2 . . 3.380 2.413 2.230 2.674 . 0 0 "[ . 1 . 2]" 1
28 1 42 GLN H 1 43 ARG H . . 3.330 2.778 2.642 2.871 . 0 0 "[ . 1 . 2]" 1
29 1 43 ARG H 1 48 LEU MD2 . . 4.590 3.823 3.427 4.377 . 0 0 "[ . 1 . 2]" 1
30 1 43 ARG H 1 99 LEU MD1 . . 5.500 5.490 5.197 5.603 0.103 20 0 "[ . 1 . 2]" 1
31 1 42 GLN HB3 1 43 ARG H . . 3.850 2.570 2.446 2.756 . 0 0 "[ . 1 . 2]" 1
32 1 42 GLN HB2 1 43 ARG H . . 4.080 3.886 3.791 4.020 . 0 0 "[ . 1 . 2]" 1
33 1 40 LEU HA 1 43 ARG H . . 4.290 3.862 3.745 3.936 . 0 0 "[ . 1 . 2]" 1
34 1 43 ARG H 1 44 THR HB . . 4.850 4.601 4.453 4.743 . 0 0 "[ . 1 . 2]" 1
35 1 76 LEU H 1 79 LYS H . . 5.110 4.915 4.806 5.101 . 0 0 "[ . 1 . 2]" 1
36 1 79 LYS H 1 80 ILE MG . . 3.730 3.696 3.551 3.752 0.022 12 0 "[ . 1 . 2]" 1
37 1 79 LYS H 1 80 ILE H . . 3.470 2.314 2.247 2.365 . 0 0 "[ . 1 . 2]" 1
38 1 76 LEU HA 1 79 LYS H . . 4.130 3.514 3.411 3.726 . 0 0 "[ . 1 . 2]" 1
39 1 79 LYS H 1 79 LYS HB3 . . 3.630 3.346 3.265 3.502 . 0 0 "[ . 1 . 2]" 1
40 1 79 LYS H 1 79 LYS HB2 . . 3.330 2.160 2.121 2.235 . 0 0 "[ . 1 . 2]" 1
41 1 76 LEU MD1 1 79 LYS H . . 4.470 4.349 4.288 4.419 . 0 0 "[ . 1 . 2]" 1
42 1 75 ARG HA 1 79 LYS H . . 5.450 4.932 4.800 5.088 . 0 0 "[ . 1 . 2]" 1
43 1 66 THR MG 1 68 VAL H . . 4.470 2.666 2.567 2.785 . 0 0 "[ . 1 . 2]" 1
44 1 68 VAL H 1 68 VAL HB . . 3.570 2.509 2.377 2.602 . 0 0 "[ . 1 . 2]" 1
45 1 68 VAL H 1 68 VAL MG2 . . 3.820 3.516 2.517 3.770 . 0 0 "[ . 1 . 2]" 1
46 1 68 VAL H 1 69 ILE H . . 3.450 2.667 2.508 2.789 . 0 0 "[ . 1 . 2]" 1
47 1 58 TRP H 1 59 ASN H . . 4.390 2.858 2.750 2.914 . 0 0 "[ . 1 . 2]" 1
48 1 57 VAL H 1 58 TRP H . . 3.490 2.639 2.611 2.666 . 0 0 "[ . 1 . 2]" 1
49 1 57 VAL HB 1 58 TRP H . . 3.880 2.273 2.235 2.305 . 0 0 "[ . 1 . 2]" 1
50 1 57 VAL MG2 1 58 TRP H . . 4.110 1.903 1.893 1.915 . 0 0 "[ . 1 . 2]" 1
51 1 68 VAL H 1 71 VAL MG2 . . 4.840 4.387 4.100 4.697 . 0 0 "[ . 1 . 2]" 1
52 1 67 ASN HA 1 69 ILE H . . 4.870 3.218 3.122 3.364 . 0 0 "[ . 1 . 2]" 1
53 1 68 VAL HB 1 69 ILE H . . 4.250 3.838 2.940 4.123 . 0 0 "[ . 1 . 2]" 1
54 1 84 PHE H 1 84 PHE HB3 . . 3.930 3.494 2.495 3.715 . 0 0 "[ . 1 . 2]" 1
55 1 69 ILE H 1 69 ILE HG13 . . 4.050 3.632 3.531 3.700 . 0 0 "[ . 1 . 2]" 1
56 1 69 ILE H 1 69 ILE HG12 . . 4.050 2.147 2.020 2.242 . 0 0 "[ . 1 . 2]" 1
57 1 83 ASP H 1 84 PHE H . . 3.380 2.463 1.834 2.867 . 0 0 "[ . 1 . 2]" 1
58 1 84 PHE H 1 84 PHE HB2 . . 3.930 2.630 2.102 3.352 . 0 0 "[ . 1 . 2]" 1
59 1 81 ASP HA 1 84 PHE H . . 4.090 3.083 2.842 3.341 . 0 0 "[ . 1 . 2]" 1
60 1 35 VAL H 1 35 VAL MG1 . . 3.820 3.704 3.651 3.731 . 0 0 "[ . 1 . 2]" 1
61 1 72 ALA H 1 75 ARG HD2 . . 5.500 4.497 4.352 4.656 . 0 0 "[ . 1 . 2]" 1
62 1 72 ALA H 1 75 ARG HD3 . . 5.500 4.861 4.644 4.966 . 0 0 "[ . 1 . 2]" 1
63 1 35 VAL H 1 35 VAL MG2 . . 3.710 2.628 2.512 2.786 . 0 0 "[ . 1 . 2]" 1
64 1 35 VAL H 1 35 VAL HB . . 3.360 2.334 2.255 2.385 . 0 0 "[ . 1 . 2]" 1
65 1 32 LYS HA 1 35 VAL H . . 4.280 3.475 3.340 3.614 . 0 0 "[ . 1 . 2]" 1
66 1 70 ASP HB3 1 72 ALA H . . 5.270 5.046 4.906 5.276 0.006 11 0 "[ . 1 . 2]" 1
67 1 69 ILE HA 1 72 ALA H . . 4.050 3.467 3.369 3.615 . 0 0 "[ . 1 . 2]" 1
68 1 33 GLU H 1 34 TYR H . . 3.630 2.709 2.573 2.787 . 0 0 "[ . 1 . 2]" 1
69 1 34 TYR H 1 35 VAL H . . 3.870 2.604 2.502 2.678 . 0 0 "[ . 1 . 2]" 1
70 1 35 VAL H 1 57 VAL MG2 . . 5.500 5.314 5.151 5.524 0.024 5 0 "[ . 1 . 2]" 1
71 1 71 VAL MG1 1 72 ALA H . . 3.820 3.611 3.483 3.691 . 0 0 "[ . 1 . 2]" 1
72 1 72 ALA H 1 73 VAL H . . 3.390 2.586 2.494 2.650 . 0 0 "[ . 1 . 2]" 1
73 1 71 VAL HB 1 72 ALA H . . 3.240 2.824 2.668 2.911 . 0 0 "[ . 1 . 2]" 1
74 1 72 ALA H 1 72 ALA MB . . 2.860 2.103 2.039 2.253 . 0 0 "[ . 1 . 2]" 1
75 1 39 LEU H 1 40 LEU H . . 3.760 2.476 2.428 2.545 . 0 0 "[ . 1 . 2]" 1
76 1 69 ILE H 1 70 ASP HB2 . . 5.500 5.271 4.809 5.508 0.008 9 0 "[ . 1 . 2]" 1
77 1 69 ILE H 1 70 ASP HB3 . . 5.500 4.817 4.579 5.260 . 0 0 "[ . 1 . 2]" 1
78 1 53 ILE MG 1 55 SER H . . 5.430 4.715 4.650 4.802 . 0 0 "[ . 1 . 2]" 1
79 1 72 ALA H 1 73 VAL HB . . 5.310 5.052 4.973 5.108 . 0 0 "[ . 1 . 2]" 1
80 1 53 ILE HA 1 55 SER H . . 4.260 4.054 3.952 4.143 . 0 0 "[ . 1 . 2]" 1
81 1 52 LEU HA 1 55 SER H . . 4.030 3.515 3.444 3.628 . 0 0 "[ . 1 . 2]" 1
82 1 30 THR H 1 33 GLU H . . 4.410 3.585 3.492 3.743 . 0 0 "[ . 1 . 2]" 1
83 1 55 SER H 1 56 LEU HB2 . . 4.480 4.319 4.255 4.414 . 0 0 "[ . 1 . 2]" 1
84 1 69 ILE H 1 69 ILE HB . . 3.280 2.540 2.487 2.632 . 0 0 "[ . 1 . 2]" 1
85 1 55 SER H 1 55 SER HB3 . . 2.920 2.492 2.093 2.794 . 0 0 "[ . 1 . 2]" 1
86 1 55 SER H 1 60 MET HB3 . . 4.450 4.137 3.064 4.460 0.010 7 0 "[ . 1 . 2]" 1
87 1 53 ILE H 1 55 SER H . . 4.080 4.048 3.998 4.091 0.011 13 0 "[ . 1 . 2]" 1
88 1 55 SER H 1 56 LEU H . . 3.250 2.497 2.461 2.519 . 0 0 "[ . 1 . 2]" 1
89 1 39 LEU H 1 39 LEU MD2 . . 4.430 3.494 2.550 4.233 . 0 0 "[ . 1 . 2]" 1
90 1 39 LEU H 1 39 LEU HB2 . . 3.420 2.174 2.106 2.289 . 0 0 "[ . 1 . 2]" 1
91 1 37 LEU HA 1 39 LEU H . . 4.720 4.222 4.051 4.509 . 0 0 "[ . 1 . 2]" 1
92 1 36 LEU HA 1 39 LEU H . . 4.220 3.928 3.755 4.134 . 0 0 "[ . 1 . 2]" 1
93 1 38 GLU HB3 1 39 LEU H . . 4.600 3.590 2.908 3.909 . 0 0 "[ . 1 . 2]" 1
94 1 39 LEU H 1 39 LEU HG . . 4.500 4.077 2.994 4.587 0.087 16 0 "[ . 1 . 2]" 1
95 1 39 LEU H 1 41 LEU H . . 4.600 4.167 3.964 4.258 . 0 0 "[ . 1 . 2]" 1
96 1 37 LEU H 1 39 LEU H . . 4.790 4.038 3.817 4.480 . 0 0 "[ . 1 . 2]" 1
97 1 39 LEU H 1 42 GLN HB2 . . 5.500 5.191 5.083 5.283 . 0 0 "[ . 1 . 2]" 1
98 1 66 THR MG 1 69 ILE H . . 4.800 4.841 4.819 4.896 0.096 10 0 "[ . 1 . 2]" 1
99 1 5 VAL H 1 14 ASP HA . . 5.270 5.212 5.080 5.273 0.003 17 0 "[ . 1 . 2]" 1
100 1 5 VAL H 1 6 CYS H . . 4.170 4.025 3.758 4.175 0.005 19 0 "[ . 1 . 2]" 1
101 1 4 THR MG 1 5 VAL H . . 4.390 4.316 4.238 4.380 . 0 0 "[ . 1 . 2]" 1
102 1 5 VAL H 1 5 VAL HB . . 3.550 3.330 2.891 3.555 0.005 6 0 "[ . 1 . 2]" 1
103 1 4 THR HA 1 5 VAL H . . 3.040 2.944 2.838 3.005 . 0 0 "[ . 1 . 2]" 1
104 1 80 ILE MG 1 82 ASP H . . 4.890 4.029 3.959 4.090 . 0 0 "[ . 1 . 2]" 1
105 1 82 ASP H 1 83 ASP HA . . 5.500 5.327 5.211 5.393 . 0 0 "[ . 1 . 2]" 1
106 1 78 SER H 1 82 ASP H . . 5.500 4.946 4.817 5.138 . 0 0 "[ . 1 . 2]" 1
107 1 80 ILE HB 1 82 ASP H . . 5.500 5.407 5.339 5.499 . 0 0 "[ . 1 . 2]" 1
108 1 80 ILE H 1 82 ASP H . . 4.050 2.925 2.717 3.184 . 0 0 "[ . 1 . 2]" 1
109 1 82 ASP H 1 82 ASP HB2 . . 3.370 2.230 2.076 3.562 0.192 16 0 "[ . 1 . 2]" 1
110 1 82 ASP H 1 82 ASP HB3 . . 3.370 2.982 2.317 3.203 . 0 0 "[ . 1 . 2]" 1
111 1 81 ASP H 1 82 ASP H . . 3.180 2.611 2.560 2.690 . 0 0 "[ . 1 . 2]" 1
112 1 82 ASP H 1 83 ASP H . . 3.610 2.759 2.566 2.881 . 0 0 "[ . 1 . 2]" 1
113 1 60 MET H 1 60 MET HG2 . . 4.480 2.128 1.949 2.418 . 0 0 "[ . 1 . 2]" 1
114 1 77 ARG HA 1 82 ASP H . . 4.950 4.550 4.392 4.668 . 0 0 "[ . 1 . 2]" 1
115 1 55 SER HA 1 60 MET H . . 3.800 3.276 2.662 3.603 . 0 0 "[ . 1 . 2]" 1
116 1 59 ASN HA 1 60 MET H . . 2.960 2.505 2.290 2.663 . 0 0 "[ . 1 . 2]" 1
117 1 60 MET H 1 60 MET HB2 . . 4.170 3.676 3.590 3.842 . 0 0 "[ . 1 . 2]" 1
118 1 59 ASN HB2 1 60 MET H . . 4.510 3.380 1.947 4.124 . 0 0 "[ . 1 . 2]" 1
119 1 49 PRO HA 1 96 GLY H . . 5.460 5.415 5.146 5.480 0.020 10 0 "[ . 1 . 2]" 1
120 1 92 VAL HA 1 96 GLY H . . 5.500 5.417 5.206 5.507 0.007 10 0 "[ . 1 . 2]" 1
121 1 96 GLY H 1 97 TYR HA . . 4.900 4.332 4.248 4.417 . 0 0 "[ . 1 . 2]" 1
122 1 91 THR MG 1 96 GLY H . . 4.450 3.263 3.107 3.440 . 0 0 "[ . 1 . 2]" 1
123 1 96 GLY H 1 97 TYR H . . 4.250 3.599 3.451 3.792 . 0 0 "[ . 1 . 2]" 1
124 1 92 VAL H 1 96 GLY H . . 3.890 3.479 3.251 3.684 . 0 0 "[ . 1 . 2]" 1
125 1 95 ALA H 1 96 GLY H . . 3.020 2.607 2.417 2.736 . 0 0 "[ . 1 . 2]" 1
126 1 92 VAL HB 1 96 GLY H . . 3.480 3.379 2.894 3.488 0.008 14 0 "[ . 1 . 2]" 1
127 1 95 ALA MB 1 96 GLY H . . 3.140 1.932 1.898 2.071 . 0 0 "[ . 1 . 2]" 1
128 1 47 VAL MG1 1 96 GLY H . . 4.610 2.621 2.145 3.893 . 0 0 "[ . 1 . 2]" 1
129 1 92 VAL MG1 1 96 GLY H . . 5.210 4.589 4.382 4.755 . 0 0 "[ . 1 . 2]" 1
130 1 53 ILE H 1 53 ILE MD . . 3.510 3.244 2.918 3.397 . 0 0 "[ . 1 . 2]" 1
131 1 53 ILE H 1 53 ILE HG13 . . 3.650 1.946 1.935 1.961 . 0 0 "[ . 1 . 2]" 1
132 1 53 ILE H 1 53 ILE HB . . 3.460 2.615 2.603 2.668 . 0 0 "[ . 1 . 2]" 1
133 1 52 LEU HG 1 53 ILE H . . 4.770 3.593 3.086 4.490 . 0 0 "[ . 1 . 2]" 1
134 1 50 ARG HA 1 53 ILE H . . 4.540 3.474 3.170 3.688 . 0 0 "[ . 1 . 2]" 1
135 1 14 ASP HA 1 19 THR H . . 4.600 4.416 4.381 4.450 . 0 0 "[ . 1 . 2]" 1
136 1 14 ASP HB3 1 19 THR H . . 3.800 2.597 2.328 2.834 . 0 0 "[ . 1 . 2]" 1
137 1 14 ASP H 1 19 THR H . . 3.720 2.509 2.443 2.649 . 0 0 "[ . 1 . 2]" 1
138 1 19 THR H 1 19 THR MG . . 3.430 2.715 2.633 2.835 . 0 0 "[ . 1 . 2]" 1
139 1 18 ARG H 1 19 THR H . . 3.300 2.867 2.824 2.936 . 0 0 "[ . 1 . 2]" 1
140 1 18 ARG HA 1 19 THR H . . 3.250 2.613 2.583 2.664 . 0 0 "[ . 1 . 2]" 1
141 1 18 ARG HB2 1 19 THR H . . 5.170 4.400 4.315 4.451 . 0 0 "[ . 1 . 2]" 1
142 1 18 ARG HB3 1 19 THR H . . 5.170 4.368 4.330 4.473 . 0 0 "[ . 1 . 2]" 1
143 1 17 ARG H 1 19 THR H . . 4.190 4.179 4.114 4.207 0.017 10 0 "[ . 1 . 2]" 1
144 1 35 VAL H 1 36 LEU H . . 3.920 2.588 2.510 2.702 . 0 0 "[ . 1 . 2]" 1
145 1 13 VAL MG1 1 19 THR H . . 4.340 3.730 3.451 4.068 . 0 0 "[ . 1 . 2]" 1
146 1 33 GLU HA 1 36 LEU H . . 3.820 3.461 3.330 3.591 . 0 0 "[ . 1 . 2]" 1
147 1 14 ASP HB2 1 19 THR H . . 3.880 2.546 2.465 2.682 . 0 0 "[ . 1 . 2]" 1
148 1 35 VAL HB 1 36 LEU H . . 3.640 2.713 2.399 2.913 . 0 0 "[ . 1 . 2]" 1
149 1 36 LEU H 1 53 ILE MG . . 5.100 4.064 3.562 4.608 . 0 0 "[ . 1 . 2]" 1
150 1 13 VAL HA 1 19 THR H . . 4.580 4.289 4.218 4.467 . 0 0 "[ . 1 . 2]" 1
151 1 36 LEU H 1 36 LEU HB3 . . 3.570 3.490 3.393 3.603 0.033 19 0 "[ . 1 . 2]" 1
152 1 36 LEU H 1 36 LEU HB2 . . 3.570 2.199 2.099 2.523 . 0 0 "[ . 1 . 2]" 1
153 1 35 VAL MG1 1 36 LEU H . . 3.940 3.135 2.860 3.306 . 0 0 "[ . 1 . 2]" 1
154 1 69 ILE MD 1 70 ASP H . . 4.610 4.532 4.479 4.608 . 0 0 "[ . 1 . 2]" 1
155 1 70 ASP H 1 71 VAL H . . 3.780 2.669 2.518 2.793 . 0 0 "[ . 1 . 2]" 1
156 1 70 ASP H 1 72 ALA MB . . 5.500 4.751 4.648 4.950 . 0 0 "[ . 1 . 2]" 1
157 1 68 VAL HA 1 70 ASP H . . 4.990 4.842 4.466 5.002 0.012 10 0 "[ . 1 . 2]" 1
158 1 69 ILE MG 1 70 ASP H . . 4.170 3.174 3.038 3.447 . 0 0 "[ . 1 . 2]" 1
159 1 69 ILE H 1 70 ASP H . . 3.780 2.748 2.639 2.838 . 0 0 "[ . 1 . 2]" 1
160 1 70 ASP H 1 70 ASP HB2 . . 3.350 2.612 2.233 2.861 . 0 0 "[ . 1 . 2]" 1
161 1 70 ASP H 1 70 ASP HB3 . . 3.670 2.473 2.270 2.879 . 0 0 "[ . 1 . 2]" 1
162 1 69 ILE HB 1 70 ASP H . . 3.560 2.262 2.206 2.551 . 0 0 "[ . 1 . 2]" 1
163 1 67 ASN HB3 1 70 ASP H . . 5.040 3.564 3.139 3.877 . 0 0 "[ . 1 . 2]" 1
164 1 67 ASN HB2 1 70 ASP H . . 5.040 4.834 4.401 5.082 0.042 5 0 "[ . 1 . 2]" 1
165 1 70 ASP H 1 71 VAL HB . . 5.270 4.931 4.783 5.038 . 0 0 "[ . 1 . 2]" 1
166 1 37 LEU HA 1 40 LEU H . . 4.250 3.291 3.178 3.444 . 0 0 "[ . 1 . 2]" 1
167 1 39 LEU HB2 1 40 LEU H . . 4.000 3.128 2.636 3.567 . 0 0 "[ . 1 . 2]" 1
168 1 40 LEU H 1 40 LEU MD1 . . 4.320 3.775 2.750 4.109 . 0 0 "[ . 1 . 2]" 1
169 1 40 LEU H 1 48 LEU MD1 . . 4.580 3.854 3.418 4.283 . 0 0 "[ . 1 . 2]" 1
170 1 40 LEU H 1 40 LEU HG . . 4.530 3.709 2.804 4.557 0.027 12 0 "[ . 1 . 2]" 1
171 1 38 GLU HA 1 40 LEU H . . 5.010 4.697 4.356 4.942 . 0 0 "[ . 1 . 2]" 1
172 1 15 MET HA 1 17 ARG H . . 5.020 4.486 4.386 4.566 . 0 0 "[ . 1 . 2]" 1
173 1 17 ARG H 1 17 ARG HB3 . . 3.950 3.663 3.626 3.704 . 0 0 "[ . 1 . 2]" 1
174 1 16 VAL MG1 1 17 ARG H . . 4.690 4.066 4.022 4.121 . 0 0 "[ . 1 . 2]" 1
175 1 17 ARG H 1 19 THR MG . . 5.010 4.286 4.143 4.392 . 0 0 "[ . 1 . 2]" 1
176 1 17 ARG H 1 17 ARG HB2 . . 3.950 2.483 2.391 2.643 . 0 0 "[ . 1 . 2]" 1
177 1 16 VAL H 1 17 ARG H . . 3.430 2.052 2.020 2.092 . 0 0 "[ . 1 . 2]" 1
178 1 16 VAL HB 1 17 ARG H . . 3.770 3.767 3.733 3.784 0.014 12 0 "[ . 1 . 2]" 1
179 1 17 ARG H 1 17 ARG HG2 . . 4.060 3.474 2.654 3.910 . 0 0 "[ . 1 . 2]" 1
180 1 16 VAL MG2 1 17 ARG H . . 3.590 2.112 1.934 2.194 . 0 0 "[ . 1 . 2]" 1
181 1 17 ARG H 1 17 ARG HG3 . . 4.060 2.999 2.534 3.902 . 0 0 "[ . 1 . 2]" 1
182 1 15 MET H 1 17 ARG H . . 4.460 3.935 3.863 4.007 . 0 0 "[ . 1 . 2]" 1
183 1 44 THR HB 1 45 GLY H . . 4.280 4.137 4.016 4.219 . 0 0 "[ . 1 . 2]" 1
184 1 45 GLY H 1 46 GLU HG2 . . 5.020 4.735 4.587 4.887 . 0 0 "[ . 1 . 2]" 1
185 1 44 THR MG 1 45 GLY H . . 4.170 3.828 3.661 4.031 . 0 0 "[ . 1 . 2]" 1
186 1 65 ASP HB2 1 66 THR H . . 5.220 4.504 4.231 4.647 . 0 0 "[ . 1 . 2]" 1
187 1 66 THR H 1 66 THR MG . . 4.000 3.251 3.234 3.281 . 0 0 "[ . 1 . 2]" 1
188 1 65 ASP HB3 1 66 THR H . . 5.220 4.223 3.933 4.567 . 0 0 "[ . 1 . 2]" 1
189 1 16 VAL H 1 18 ARG H . . 4.030 3.213 3.145 3.271 . 0 0 "[ . 1 . 2]" 1
190 1 15 MET HA 1 18 ARG H . . 4.170 3.773 3.704 3.825 . 0 0 "[ . 1 . 2]" 1
191 1 16 VAL MG2 1 18 ARG H . . 3.970 3.932 3.815 3.978 0.008 2 0 "[ . 1 . 2]" 1
192 1 14 ASP H 1 18 ARG H . . 5.000 4.242 4.139 4.462 . 0 0 "[ . 1 . 2]" 1
193 1 14 ASP HB3 1 18 ARG H . . 4.960 2.275 2.202 2.420 . 0 0 "[ . 1 . 2]" 1
194 1 17 ARG HB2 1 18 ARG H . . 4.770 3.188 3.144 3.315 . 0 0 "[ . 1 . 2]" 1
195 1 18 ARG H 1 19 THR MG . . 4.120 3.734 3.678 3.821 . 0 0 "[ . 1 . 2]" 1
196 1 17 ARG HB3 1 18 ARG H . . 4.770 4.043 3.950 4.171 . 0 0 "[ . 1 . 2]" 1
197 1 16 VAL HB 1 18 ARG H . . 5.500 5.455 5.404 5.481 . 0 0 "[ . 1 . 2]" 1
198 1 17 ARG H 1 18 ARG H . . 3.700 2.086 1.996 2.132 . 0 0 "[ . 1 . 2]" 1
199 1 36 LEU HB3 1 37 LEU H . . 4.070 3.390 2.972 3.836 . 0 0 "[ . 1 . 2]" 1
200 1 35 VAL H 1 37 LEU H . . 5.200 4.010 3.830 4.291 . 0 0 "[ . 1 . 2]" 1
201 1 37 LEU H 1 37 LEU HB2 . . 3.820 2.163 2.113 2.549 . 0 0 "[ . 1 . 2]" 1
202 1 37 LEU H 1 38 GLU H . . 3.710 2.539 2.417 2.722 . 0 0 "[ . 1 . 2]" 1
203 1 37 LEU H 1 37 LEU MD1 . . 4.180 3.573 2.221 4.179 . 0 0 "[ . 1 . 2]" 1
204 1 36 LEU HB2 1 37 LEU H . . 4.070 2.864 2.742 3.034 . 0 0 "[ . 1 . 2]" 1
205 1 37 LEU H 1 37 LEU HB3 . . 3.820 3.453 3.402 3.601 . 0 0 "[ . 1 . 2]" 1
206 1 36 LEU H 1 37 LEU H . . 4.020 2.560 2.444 2.778 . 0 0 "[ . 1 . 2]" 1
207 1 35 VAL HA 1 37 LEU H . . 4.870 4.417 4.288 4.590 . 0 0 "[ . 1 . 2]" 1
208 1 69 ILE HA 1 71 VAL H . . 4.860 4.337 4.182 4.565 . 0 0 "[ . 1 . 2]" 1
209 1 71 VAL H 1 72 ALA MB . . 4.340 4.105 4.038 4.249 . 0 0 "[ . 1 . 2]" 1
210 1 70 ASP HB3 1 71 VAL H . . 3.620 2.816 2.567 2.997 . 0 0 "[ . 1 . 2]" 1
211 1 71 VAL H 1 71 VAL HB . . 3.120 2.498 2.483 2.524 . 0 0 "[ . 1 . 2]" 1
212 1 71 VAL H 1 72 ALA H . . 3.460 2.486 2.437 2.579 . 0 0 "[ . 1 . 2]" 1
213 1 71 VAL H 1 73 VAL H . . 4.860 4.108 3.936 4.170 . 0 0 "[ . 1 . 2]" 1
214 1 78 SER H 1 80 ILE MG . . 5.480 5.443 5.260 5.526 0.046 5 0 "[ . 1 . 2]" 1
215 1 78 SER H 1 80 ILE H . . 4.710 4.502 4.349 4.632 . 0 0 "[ . 1 . 2]" 1
216 1 75 ARG HA 1 78 SER H . . 3.860 3.720 3.562 3.790 . 0 0 "[ . 1 . 2]" 1
217 1 77 ARG HB3 1 78 SER H . . 4.190 2.820 2.419 3.861 . 0 0 "[ . 1 . 2]" 1
218 1 77 ARG H 1 78 SER H . . 3.580 2.659 2.501 2.731 . 0 0 "[ . 1 . 2]" 1
219 1 78 SER H 1 79 LYS HA . . 5.050 4.964 4.951 4.992 . 0 0 "[ . 1 . 2]" 1
220 1 77 ARG HB2 1 78 SER H . . 4.190 3.826 3.667 4.105 . 0 0 "[ . 1 . 2]" 1
221 1 78 SER H 1 79 LYS H . . 3.430 2.552 2.522 2.592 . 0 0 "[ . 1 . 2]" 1
222 1 78 SER H 1 78 SER HB2 . . 3.420 2.710 2.132 3.594 0.174 13 0 "[ . 1 . 2]" 1
223 1 78 SER H 1 78 SER HB3 . . 3.420 2.687 2.379 3.351 . 0 0 "[ . 1 . 2]" 1
224 1 75 ARG H 1 78 SER H . . 4.880 4.817 4.553 4.965 0.085 19 0 "[ . 1 . 2]" 1
225 1 78 SER H 1 79 LYS HB2 . . 4.560 4.202 4.154 4.313 . 0 0 "[ . 1 . 2]" 1
226 1 74 ARG HA 1 78 SER H . . 4.160 4.060 3.876 4.170 0.010 19 0 "[ . 1 . 2]" 1
227 1 74 ARG H 1 77 ARG H . . 4.890 4.582 4.527 4.642 . 0 0 "[ . 1 . 2]" 1
228 1 72 ALA H 1 74 ARG H . . 4.470 4.004 3.923 4.080 . 0 0 "[ . 1 . 2]" 1
229 1 74 ARG H 1 74 ARG HG3 . . 3.850 3.588 3.163 3.703 . 0 0 "[ . 1 . 2]" 1
230 1 73 VAL MG2 1 74 ARG H . . 3.840 3.680 3.603 3.731 . 0 0 "[ . 1 . 2]" 1
231 1 73 VAL H 1 74 ARG H . . 3.640 2.455 2.441 2.469 . 0 0 "[ . 1 . 2]" 1
232 1 74 ARG H 1 74 ARG HG2 . . 3.850 2.622 2.465 2.855 . 0 0 "[ . 1 . 2]" 1
233 1 74 ARG H 1 74 ARG HB2 . . 3.010 2.341 2.277 2.439 . 0 0 "[ . 1 . 2]" 1
234 1 71 VAL HA 1 74 ARG H . . 3.870 3.383 3.269 3.482 . 0 0 "[ . 1 . 2]" 1
235 1 73 VAL HB 1 74 ARG H . . 4.170 3.464 2.674 4.005 . 0 0 "[ . 1 . 2]" 1
236 1 95 ALA H 1 96 GLY HA2 . . 4.200 4.073 3.965 4.117 . 0 0 "[ . 1 . 2]" 1
237 1 95 ALA H 1 96 GLY HA3 . . 4.890 4.785 4.703 4.840 . 0 0 "[ . 1 . 2]" 1
238 1 95 ALA H 1 95 ALA MB . . 2.860 2.665 2.596 2.884 0.024 15 0 "[ . 1 . 2]" 1
239 1 91 THR MG 1 95 ALA H . . 4.350 4.247 4.119 4.372 0.022 18 0 "[ . 1 . 2]" 1
240 1 92 VAL MG1 1 95 ALA H . . 4.490 4.102 3.903 4.278 . 0 0 "[ . 1 . 2]" 1
241 1 92 VAL HB 1 95 ALA H . . 4.140 3.942 3.522 4.151 0.011 13 0 "[ . 1 . 2]" 1
242 1 92 VAL H 1 95 ALA H . . 5.240 4.953 4.776 5.180 . 0 0 "[ . 1 . 2]" 1
243 1 28 HIS H 1 29 LEU H . . 4.990 4.545 4.423 4.602 . 0 0 "[ . 1 . 2]" 1
244 1 29 LEU H 1 30 THR H . . 4.410 4.382 4.329 4.419 0.009 9 0 "[ . 1 . 2]" 1
245 1 29 LEU H 1 29 LEU HG . . 3.400 2.762 2.491 3.336 . 0 0 "[ . 1 . 2]" 1
246 1 29 LEU H 1 29 LEU MD1 . . 4.990 3.127 2.066 4.295 . 0 0 "[ . 1 . 2]" 1
247 1 29 LEU H 1 29 LEU MD2 . . 4.990 3.850 2.788 4.218 . 0 0 "[ . 1 . 2]" 1
248 1 28 HIS HA 1 29 LEU H . . 2.720 2.230 2.141 2.256 . 0 0 "[ . 1 . 2]" 1
249 1 29 LEU H 1 30 THR HA . . 4.920 4.729 4.647 4.898 . 0 0 "[ . 1 . 2]" 1
250 1 80 ILE H 1 80 ILE MG . . 3.670 2.163 1.939 2.380 . 0 0 "[ . 1 . 2]" 1
251 1 79 LYS HB3 1 80 ILE H . . 3.700 3.215 2.922 3.578 . 0 0 "[ . 1 . 2]" 1
252 1 80 ILE H 1 80 ILE HG12 . . 5.070 4.889 4.477 5.102 0.032 3 0 "[ . 1 . 2]" 1
253 1 80 ILE H 1 81 ASP H . . 3.640 1.943 1.865 2.023 . 0 0 "[ . 1 . 2]" 1
254 1 77 ARG HA 1 80 ILE H . . 4.780 3.888 3.621 3.996 . 0 0 "[ . 1 . 2]" 1
255 1 79 LYS HB2 1 80 ILE H . . 4.180 3.121 2.730 3.336 . 0 0 "[ . 1 . 2]" 1
256 1 23 SER HA 1 25 LYS H . . 4.680 4.473 4.397 4.544 . 0 0 "[ . 1 . 2]" 1
257 1 25 LYS H 1 25 LYS HG3 . . 4.530 3.733 3.586 3.801 . 0 0 "[ . 1 . 2]" 1
258 1 21 ILE HA 1 25 LYS H . . 4.730 3.912 3.767 4.157 . 0 0 "[ . 1 . 2]" 1
259 1 25 LYS H 1 25 LYS HB3 . . 3.790 3.788 3.742 3.857 0.067 4 0 "[ . 1 . 2]" 1
260 1 25 LYS H 1 25 LYS HB2 . . 3.220 2.706 2.581 3.085 . 0 0 "[ . 1 . 2]" 1
261 1 21 ILE MG 1 25 LYS H . . 3.150 2.198 2.064 2.371 . 0 0 "[ . 1 . 2]" 1
262 1 84 PHE H 1 85 GLU H . . 4.030 2.183 1.893 3.196 . 0 0 "[ . 1 . 2]" 1
263 1 25 LYS H 1 25 LYS HG2 . . 4.530 4.286 2.091 4.544 0.014 16 0 "[ . 1 . 2]" 1
264 1 84 PHE HB2 1 85 GLU H . . 3.560 2.872 2.353 3.657 0.097 4 0 "[ . 1 . 2]" 1
265 1 25 LYS H 1 25 LYS HE2 . . 5.500 4.868 4.184 5.218 . 0 0 "[ . 1 . 2]" 1
266 1 25 LYS H 1 25 LYS HE3 . . 5.500 5.009 4.147 5.498 . 0 0 "[ . 1 . 2]" 1
267 1 84 PHE HB3 1 85 GLU H . . 3.560 2.905 2.179 3.426 . 0 0 "[ . 1 . 2]" 1
268 1 85 GLU H 1 85 GLU HG2 . . 4.720 3.798 1.984 4.730 0.010 13 0 "[ . 1 . 2]" 1
269 1 85 GLU H 1 85 GLU HG3 . . 4.720 3.808 1.955 4.732 0.012 17 0 "[ . 1 . 2]" 1
270 1 75 ARG H 1 76 LEU HG . . 5.000 4.742 4.489 4.879 . 0 0 "[ . 1 . 2]" 1
271 1 75 ARG H 1 89 ILE MD . . 5.500 5.474 5.272 5.513 0.013 19 0 "[ . 1 . 2]" 1
272 1 74 ARG HB2 1 75 ARG H . . 3.020 2.750 2.685 2.894 . 0 0 "[ . 1 . 2]" 1
273 1 75 ARG H 1 75 ARG HD2 . . 4.120 3.998 3.939 4.059 . 0 0 "[ . 1 . 2]" 1
274 1 74 ARG H 1 75 ARG H . . 3.570 2.494 2.456 2.518 . 0 0 "[ . 1 . 2]" 1
275 1 75 ARG H 1 75 ARG HG2 . . 3.400 2.298 2.194 2.345 . 0 0 "[ . 1 . 2]" 1
276 1 71 VAL HA 1 75 ARG H . . 4.690 3.671 3.567 3.831 . 0 0 "[ . 1 . 2]" 1
277 1 71 VAL MG1 1 75 ARG H . . 4.410 3.674 3.480 3.850 . 0 0 "[ . 1 . 2]" 1
278 1 34 TYR H 1 37 LEU H . . 5.060 4.776 4.598 5.018 . 0 0 "[ . 1 . 2]" 1
279 1 95 ALA MB 1 97 TYR H . . 5.500 4.214 4.093 4.419 . 0 0 "[ . 1 . 2]" 1
280 1 24 GLY H 1 25 LYS HD2 . . 5.500 4.109 3.670 5.577 0.077 12 0 "[ . 1 . 2]" 1
281 1 24 GLY H 1 25 LYS HD3 . . 5.500 4.871 3.787 5.502 0.002 9 0 "[ . 1 . 2]" 1
282 1 34 TYR H 1 57 VAL MG1 . . 5.500 5.277 5.093 5.419 . 0 0 "[ . 1 . 2]" 1
283 1 97 TYR H 1 97 TYR HB3 . . 4.170 3.397 3.012 3.734 . 0 0 "[ . 1 . 2]" 1
284 1 96 GLY HA3 1 97 TYR H . . 3.310 2.198 2.155 2.231 . 0 0 "[ . 1 . 2]" 1
285 1 97 TYR H 1 97 TYR HB2 . . 4.170 3.163 2.778 4.001 . 0 0 "[ . 1 . 2]" 1
286 1 34 TYR H 1 34 TYR HB3 . . 3.550 2.618 2.350 3.490 . 0 0 "[ . 1 . 2]" 1
287 1 34 TYR H 1 34 TYR HB2 . . 3.550 2.537 2.116 2.759 . 0 0 "[ . 1 . 2]" 1
288 1 48 LEU HA 1 97 TYR H . . 5.080 4.688 4.439 4.817 . 0 0 "[ . 1 . 2]" 1
289 1 48 LEU H 1 97 TYR H . . 3.940 2.835 2.727 2.977 . 0 0 "[ . 1 . 2]" 1
290 1 21 ILE MG 1 24 GLY H . . 3.380 2.032 1.870 2.299 . 0 0 "[ . 1 . 2]" 1
291 1 21 ILE HA 1 24 GLY H . . 5.300 4.590 4.469 4.746 . 0 0 "[ . 1 . 2]" 1
292 1 22 ARG HA 1 24 GLY H . . 5.470 3.782 3.452 3.976 . 0 0 "[ . 1 . 2]" 1
293 1 23 SER H 1 24 GLY H . . 4.290 2.741 2.607 2.794 . 0 0 "[ . 1 . 2]" 1
294 1 48 LEU HG 1 97 TYR H . . 4.700 3.941 3.509 4.702 0.002 8 0 "[ . 1 . 2]" 1
295 1 76 LEU H 1 76 LEU MD1 . . 4.040 4.024 3.935 4.070 0.030 8 0 "[ . 1 . 2]" 1
296 1 74 ARG H 1 76 LEU H . . 4.510 4.030 4.014 4.050 . 0 0 "[ . 1 . 2]" 1
297 1 76 LEU H 1 78 SER H . . 4.820 4.177 3.879 4.326 . 0 0 "[ . 1 . 2]" 1
298 1 75 ARG HG2 1 76 LEU H . . 4.470 2.279 2.214 2.345 . 0 0 "[ . 1 . 2]" 1
299 1 76 LEU H 1 76 LEU HB2 . . 3.770 3.541 3.525 3.565 . 0 0 "[ . 1 . 2]" 1
300 1 76 LEU H 1 76 LEU MD2 . . 3.660 3.355 3.344 3.398 . 0 0 "[ . 1 . 2]" 1
301 1 76 LEU H 1 76 LEU HB3 . . 3.770 2.267 2.232 2.325 . 0 0 "[ . 1 . 2]" 1
302 1 76 LEU H 1 76 LEU HG . . 4.190 2.807 2.662 2.890 . 0 0 "[ . 1 . 2]" 1
303 1 63 ASP H 1 64 SER H . . 4.570 4.068 2.604 4.486 . 0 0 "[ . 1 . 2]" 1
304 1 61 ASN HA 1 63 ASP H . . 4.520 4.074 3.495 4.524 0.004 15 0 "[ . 1 . 2]" 1
305 1 47 VAL H 1 95 ALA MB . . 4.680 4.636 4.431 4.702 0.022 12 0 "[ . 1 . 2]" 1
306 1 47 VAL H 1 98 VAL MG2 . . 4.170 3.553 3.238 3.910 . 0 0 "[ . 1 . 2]" 1
307 1 47 VAL H 1 47 VAL MG1 . . 3.920 3.421 1.898 3.808 . 0 0 "[ . 1 . 2]" 1
308 1 47 VAL H 1 47 VAL MG2 . . 3.920 2.477 2.017 3.790 . 0 0 "[ . 1 . 2]" 1
309 1 46 GLU HB2 1 47 VAL H . . 3.480 2.770 2.424 3.068 . 0 0 "[ . 1 . 2]" 1
310 1 46 GLU HA 1 47 VAL H . . 2.790 2.276 2.188 2.403 . 0 0 "[ . 1 . 2]" 1
311 1 47 VAL H 1 47 VAL HB . . 3.040 2.634 2.539 2.779 . 0 0 "[ . 1 . 2]" 1
312 1 46 GLU HG3 1 47 VAL H . . 4.340 4.266 3.995 4.340 . 0 0 "[ . 1 . 2]" 1
313 1 53 ILE MG 1 56 LEU H . . 5.140 4.210 4.043 4.361 . 0 0 "[ . 1 . 2]" 1
314 1 47 VAL H 1 98 VAL HB . . 4.440 4.024 3.842 4.290 . 0 0 "[ . 1 . 2]" 1
315 1 46 GLU H 1 47 VAL H . . 4.660 4.428 4.347 4.488 . 0 0 "[ . 1 . 2]" 1
316 1 53 ILE HA 1 57 VAL H . . 5.500 5.183 5.090 5.267 . 0 0 "[ . 1 . 2]" 1
317 1 53 ILE H 1 56 LEU H . . 5.250 4.892 4.742 4.966 . 0 0 "[ . 1 . 2]" 1
318 1 56 LEU HB3 1 57 VAL H . . 4.550 3.745 3.664 3.879 . 0 0 "[ . 1 . 2]" 1
319 1 53 ILE HA 1 56 LEU H . . 4.200 3.335 3.221 3.423 . 0 0 "[ . 1 . 2]" 1
320 1 53 ILE MG 1 57 VAL H . . 5.410 4.773 4.652 4.851 . 0 0 "[ . 1 . 2]" 1
321 1 54 SER H 1 56 LEU H . . 4.870 4.156 4.119 4.180 . 0 0 "[ . 1 . 2]" 1
322 1 56 LEU HB2 1 57 VAL H . . 4.750 3.532 3.429 3.693 . 0 0 "[ . 1 . 2]" 1
323 1 52 LEU HA 1 56 LEU H . . 5.060 4.733 4.429 4.934 . 0 0 "[ . 1 . 2]" 1
324 1 54 SER HA 1 57 VAL H . . 4.650 3.651 3.520 3.754 . 0 0 "[ . 1 . 2]" 1
325 1 56 LEU H 1 56 LEU HB2 . . 3.590 2.093 2.072 2.162 . 0 0 "[ . 1 . 2]" 1
326 1 56 LEU H 1 56 LEU HG . . 4.110 3.924 3.581 4.132 0.022 15 0 "[ . 1 . 2]" 1
327 1 57 VAL H 1 57 VAL MG1 . . 3.760 3.573 3.558 3.600 . 0 0 "[ . 1 . 2]" 1
328 1 56 LEU H 1 58 TRP H . . 4.920 4.849 4.805 4.893 . 0 0 "[ . 1 . 2]" 1
329 1 52 LEU HG 1 56 LEU H . . 5.200 4.952 4.603 5.205 0.005 19 0 "[ . 1 . 2]" 1
330 1 56 LEU H 1 56 LEU HB3 . . 3.700 3.377 3.298 3.476 . 0 0 "[ . 1 . 2]" 1
331 1 103 GLU H 1 103 GLU HB2 . . 3.620 2.811 2.492 3.577 . 0 0 "[ . 1 . 2]" 1
332 1 103 GLU H 1 104 GLU H . . 4.610 2.705 2.604 2.771 . 0 0 "[ . 1 . 2]" 1
333 1 57 VAL H 1 59 ASN H . . 5.030 4.187 4.085 4.267 . 0 0 "[ . 1 . 2]" 1
334 1 55 SER H 1 57 VAL H . . 4.230 3.957 3.916 3.991 . 0 0 "[ . 1 . 2]" 1
335 1 103 GLU H 1 103 GLU HB3 . . 3.620 2.718 2.234 3.581 . 0 0 "[ . 1 . 2]" 1
336 1 102 ARG HA 1 103 GLU H . . 3.550 3.471 3.451 3.489 . 0 0 "[ . 1 . 2]" 1
337 1 4 THR HA 1 16 VAL H . . 5.070 4.628 4.479 4.793 . 0 0 "[ . 1 . 2]" 1
338 1 21 ILE H 1 21 ILE HG13 . . 3.950 3.706 3.628 3.802 . 0 0 "[ . 1 . 2]" 1
339 1 101 ILE MG 1 103 GLU H . . 4.390 4.232 4.102 4.357 . 0 0 "[ . 1 . 2]" 1
340 1 103 GLU H 1 103 GLU HG2 . . 5.340 3.599 1.938 4.610 . 0 0 "[ . 1 . 2]" 1
341 1 103 GLU H 1 103 GLU HG3 . . 5.340 3.858 2.112 4.462 . 0 0 "[ . 1 . 2]" 1
342 1 13 VAL H 1 21 ILE H . . 5.150 4.780 4.699 4.857 . 0 0 "[ . 1 . 2]" 1
343 1 102 ARG H 1 103 GLU H . . 4.150 2.206 1.989 2.392 . 0 0 "[ . 1 . 2]" 1
344 1 21 ILE H 1 21 ILE HB . . 3.590 2.477 2.445 2.539 . 0 0 "[ . 1 . 2]" 1
345 1 20 VAL MG1 1 21 ILE H . . 4.280 3.872 3.763 3.944 . 0 0 "[ . 1 . 2]" 1
346 1 21 ILE H 1 21 ILE MG . . 4.530 3.765 3.746 3.798 . 0 0 "[ . 1 . 2]" 1
347 1 20 VAL HA 1 21 ILE H . . 3.120 2.145 2.140 2.155 . 0 0 "[ . 1 . 2]" 1
348 1 16 VAL H 1 16 VAL MG2 . . 3.570 1.947 1.902 2.039 . 0 0 "[ . 1 . 2]" 1
349 1 16 VAL H 1 16 VAL HB . . 3.780 3.680 3.670 3.691 . 0 0 "[ . 1 . 2]" 1
350 1 16 VAL H 1 16 VAL MG1 . . 3.290 2.833 2.756 2.955 . 0 0 "[ . 1 . 2]" 1
351 1 21 ILE HA 1 27 ILE H . . 3.710 3.441 3.262 3.622 . 0 0 "[ . 1 . 2]" 1
352 1 27 ILE H 1 27 ILE HB . . 3.620 2.507 2.473 2.572 . 0 0 "[ . 1 . 2]" 1
353 1 26 LYS HA 1 27 ILE H . . 3.090 2.156 2.140 2.177 . 0 0 "[ . 1 . 2]" 1
354 1 27 ILE H 1 27 ILE MD . . 3.510 3.431 3.245 3.520 0.010 15 0 "[ . 1 . 2]" 1
355 1 20 VAL HB 1 27 ILE H . . 4.440 4.143 3.973 4.366 . 0 0 "[ . 1 . 2]" 1
356 1 20 VAL HA 1 27 ILE H . . 5.440 5.308 5.145 5.364 . 0 0 "[ . 1 . 2]" 1
357 1 71 VAL HA 1 73 VAL H . . 4.510 4.289 4.164 4.363 . 0 0 "[ . 1 . 2]" 1
358 1 73 VAL H 1 75 ARG HG2 . . 4.590 4.173 4.105 4.216 . 0 0 "[ . 1 . 2]" 1
359 1 73 VAL H 1 73 VAL HB . . 3.210 2.658 2.617 2.689 . 0 0 "[ . 1 . 2]" 1
360 1 73 VAL H 1 74 ARG HA . . 5.230 5.111 5.099 5.124 . 0 0 "[ . 1 . 2]" 1
361 1 70 ASP H 1 73 VAL H . . 5.170 4.957 4.797 5.017 . 0 0 "[ . 1 . 2]" 1
362 1 73 VAL H 1 74 ARG HB2 . . 4.600 4.535 4.461 4.625 0.025 9 0 "[ . 1 . 2]" 1
363 1 70 ASP HA 1 73 VAL H . . 3.930 3.605 3.550 3.661 . 0 0 "[ . 1 . 2]" 1
364 1 13 VAL H 1 14 ASP H . . 4.770 4.546 4.482 4.578 . 0 0 "[ . 1 . 2]" 1
365 1 14 ASP H 1 20 VAL HA . . 4.270 3.946 3.825 4.049 . 0 0 "[ . 1 . 2]" 1
366 1 14 ASP H 1 14 ASP HB3 . . 3.680 3.200 3.136 3.302 . 0 0 "[ . 1 . 2]" 1
367 1 14 ASP H 1 14 ASP HB2 . . 3.630 2.419 2.282 2.539 . 0 0 "[ . 1 . 2]" 1
368 1 13 VAL HA 1 14 ASP H . . 3.100 2.199 2.156 2.242 . 0 0 "[ . 1 . 2]" 1
369 1 12 THR MG 1 14 ASP H . . 5.140 4.884 4.551 5.121 . 0 0 "[ . 1 . 2]" 1
370 1 14 ASP H 1 19 THR MG . . 5.490 4.623 4.428 4.889 . 0 0 "[ . 1 . 2]" 1
371 1 14 ASP H 1 19 THR HB . . 5.500 5.344 5.202 5.509 0.009 1 0 "[ . 1 . 2]" 1
372 1 14 ASP H 1 20 VAL MG1 . . 4.370 3.749 3.469 3.917 . 0 0 "[ . 1 . 2]" 1
373 1 82 ASP HB3 1 83 ASP H . . 3.830 2.943 2.522 3.776 . 0 0 "[ . 1 . 2]" 1
374 1 82 ASP HB2 1 83 ASP H . . 3.830 3.639 3.317 3.877 0.047 16 0 "[ . 1 . 2]" 1
375 1 83 ASP H 1 83 ASP HB2 . . 3.510 3.004 2.489 3.566 0.056 5 0 "[ . 1 . 2]" 1
376 1 83 ASP H 1 83 ASP HB3 . . 3.510 3.036 2.783 3.573 0.063 14 0 "[ . 1 . 2]" 1
377 1 83 ASP H 1 84 PHE HA . . 4.790 4.638 4.433 4.810 0.020 5 0 "[ . 1 . 2]" 1
378 1 10 ASP HA 1 23 SER H . . 4.750 4.676 4.246 4.779 0.029 4 0 "[ . 1 . 2]" 1
379 1 10 ASP HB3 1 23 SER H . . 5.410 4.347 3.926 4.553 . 0 0 "[ . 1 . 2]" 1
380 1 22 ARG HA 1 23 SER H . . 3.450 2.157 2.139 2.179 . 0 0 "[ . 1 . 2]" 1
381 1 41 LEU H 1 42 GLN HB2 . . 5.220 4.959 4.852 5.028 . 0 0 "[ . 1 . 2]" 1
382 1 11 MET HA 1 23 SER H . . 4.390 2.846 2.589 3.169 . 0 0 "[ . 1 . 2]" 1
383 1 10 ASP HB2 1 23 SER H . . 5.410 5.421 5.276 5.500 0.090 17 0 "[ . 1 . 2]" 1
384 1 11 MET HB2 1 23 SER H . . 5.500 4.843 4.601 5.057 . 0 0 "[ . 1 . 2]" 1
385 1 41 LEU H 1 41 LEU HG . . 3.760 2.187 1.984 2.588 . 0 0 "[ . 1 . 2]" 1
386 1 41 LEU H 1 41 LEU HB3 . . 3.870 2.571 2.366 2.690 . 0 0 "[ . 1 . 2]" 1
387 1 40 LEU H 1 41 LEU H . . 3.650 2.790 2.675 2.872 . 0 0 "[ . 1 . 2]" 1
388 1 41 LEU H 1 41 LEU MD2 . . 3.360 3.031 2.816 3.181 . 0 0 "[ . 1 . 2]" 1
389 1 38 GLU HA 1 41 LEU H . . 4.410 4.000 3.790 4.186 . 0 0 "[ . 1 . 2]" 1
390 1 25 LYS H 1 26 LYS H . . 4.510 4.068 3.931 4.300 . 0 0 "[ . 1 . 2]" 1
391 1 25 LYS HB3 1 26 LYS H . . 4.240 3.704 3.496 3.860 . 0 0 "[ . 1 . 2]" 1
392 1 26 LYS H 1 26 LYS HG2 . . 4.810 4.450 4.354 4.589 . 0 0 "[ . 1 . 2]" 1
393 1 26 LYS H 1 26 LYS HB2 . . 3.130 2.576 2.485 2.691 . 0 0 "[ . 1 . 2]" 1
394 1 26 LYS H 1 26 LYS HB3 . . 3.320 2.477 2.377 2.563 . 0 0 "[ . 1 . 2]" 1
395 1 25 LYS HA 1 26 LYS H . . 2.620 2.159 2.139 2.192 . 0 0 "[ . 1 . 2]" 1
396 1 26 LYS H 1 26 LYS HG3 . . 4.810 4.469 4.407 4.535 . 0 0 "[ . 1 . 2]" 1
397 1 21 ILE MG 1 26 LYS H . . 4.020 3.617 3.490 3.774 . 0 0 "[ . 1 . 2]" 1
398 1 7 THR H 1 8 ILE H . . 4.720 4.583 4.546 4.602 . 0 0 "[ . 1 . 2]" 1
399 1 101 ILE MG 1 104 GLU H . . 5.050 4.665 4.544 4.757 . 0 0 "[ . 1 . 2]" 1
400 1 101 ILE H 1 102 ARG H . . 4.840 4.509 4.424 4.602 . 0 0 "[ . 1 . 2]" 1
401 1 104 GLU H 1 104 GLU HG2 . . 5.210 4.475 3.718 4.610 . 0 0 "[ . 1 . 2]" 1
402 1 104 GLU H 1 104 GLU HG3 . . 5.210 4.396 3.052 4.618 . 0 0 "[ . 1 . 2]" 1
403 1 104 GLU H 1 104 GLU HB2 . . 3.620 2.596 2.326 3.480 . 0 0 "[ . 1 . 2]" 1
404 1 102 ARG HA 1 104 GLU H . . 4.010 3.806 3.537 3.977 . 0 0 "[ . 1 . 2]" 1
405 1 7 THR H 1 7 THR MG . . 3.910 3.599 3.520 3.663 . 0 0 "[ . 1 . 2]" 1
406 1 7 THR H 1 7 THR HB . . 3.310 3.172 3.115 3.264 . 0 0 "[ . 1 . 2]" 1
407 1 6 CYS HA 1 7 THR H . . 2.730 2.141 2.137 2.148 . 0 0 "[ . 1 . 2]" 1
408 1 6 CYS H 1 7 THR H . . 4.490 4.293 4.194 4.424 . 0 0 "[ . 1 . 2]" 1
409 1 101 ILE H 1 101 ILE MD . . 3.830 2.652 1.832 3.833 0.003 14 0 "[ . 1 . 2]" 1
410 1 101 ILE H 1 101 ILE HG12 . . 4.000 2.723 2.039 3.715 . 0 0 "[ . 1 . 2]" 1
411 1 101 ILE H 1 101 ILE HG13 . . 4.000 3.383 2.454 4.056 0.056 19 0 "[ . 1 . 2]" 1
412 1 101 ILE H 1 101 ILE MG . . 3.630 2.611 1.853 2.951 . 0 0 "[ . 1 . 2]" 1
413 1 101 ILE H 1 104 GLU HB2 . . 4.870 4.288 3.137 4.820 . 0 0 "[ . 1 . 2]" 1
414 1 101 ILE H 1 101 ILE HB . . 3.830 3.720 3.603 3.904 0.074 19 0 "[ . 1 . 2]" 1
415 1 101 ILE H 1 104 GLU HB3 . . 4.870 4.398 3.453 4.894 0.024 3 0 "[ . 1 . 2]" 1
416 1 100 GLU HA 1 101 ILE H . . 3.340 2.402 2.160 2.715 . 0 0 "[ . 1 . 2]" 1
417 1 101 ILE H 1 102 ARG HA . . 5.500 5.180 4.869 5.532 0.032 8 0 "[ . 1 . 2]" 1
418 1 88 LEU HB3 1 101 ILE H . . 5.500 5.240 4.425 5.506 0.006 5 0 "[ . 1 . 2]" 1
419 1 44 THR MG 1 46 GLU H . . 4.960 4.693 4.509 4.882 . 0 0 "[ . 1 . 2]" 1
420 1 79 LYS HA 1 81 ASP H . . 5.500 5.388 5.264 5.459 . 0 0 "[ . 1 . 2]" 1
421 1 79 LYS H 1 81 ASP H . . 4.500 3.668 3.498 3.753 . 0 0 "[ . 1 . 2]" 1
422 1 80 ILE HG13 1 81 ASP H . . 4.870 3.832 3.381 4.842 . 0 0 "[ . 1 . 2]" 1
423 1 77 ARG HA 1 81 ASP H . . 4.130 3.217 2.885 3.376 . 0 0 "[ . 1 . 2]" 1
424 1 81 ASP H 1 81 ASP HB3 . . 3.870 3.122 2.149 3.594 . 0 0 "[ . 1 . 2]" 1
425 1 81 ASP H 1 81 ASP HB2 . . 3.870 2.299 2.068 3.019 . 0 0 "[ . 1 . 2]" 1
426 1 46 GLU H 1 98 VAL MG2 . . 3.570 3.020 2.911 3.177 . 0 0 "[ . 1 . 2]" 1
427 1 78 SER HA 1 81 ASP H . . 5.200 4.622 4.399 4.878 . 0 0 "[ . 1 . 2]" 1
428 1 81 ASP H 1 82 ASP HA . . 5.500 5.091 4.936 5.236 . 0 0 "[ . 1 . 2]" 1
429 1 43 ARG HB3 1 46 GLU H . . 4.630 4.137 3.928 4.374 . 0 0 "[ . 1 . 2]" 1
430 1 46 GLU H 1 46 GLU HB3 . . 3.490 3.335 3.238 3.459 . 0 0 "[ . 1 . 2]" 1
431 1 46 GLU H 1 46 GLU HG2 . . 3.150 2.366 2.097 2.585 . 0 0 "[ . 1 . 2]" 1
432 1 45 GLY H 1 46 GLU H . . 3.730 2.614 2.390 2.817 . 0 0 "[ . 1 . 2]" 1
433 1 76 LEU MD1 1 81 ASP H . . 5.330 4.129 3.849 4.398 . 0 0 "[ . 1 . 2]" 1
434 1 38 GLU H 1 39 LEU HA . . 5.500 5.392 5.362 5.435 . 0 0 "[ . 1 . 2]" 1
435 1 80 ILE MG 1 81 ASP H . . 3.930 1.947 1.902 1.990 . 0 0 "[ . 1 . 2]" 1
436 1 81 ASP H 1 83 ASP H . . 4.910 4.550 4.309 4.840 . 0 0 "[ . 1 . 2]" 1
437 1 44 THR HA 1 46 GLU H . . 3.960 3.422 3.327 3.524 . 0 0 "[ . 1 . 2]" 1
438 1 90 HIS HB3 1 92 VAL H . . 5.500 5.077 4.772 5.491 . 0 0 "[ . 1 . 2]" 1
439 1 38 GLU H 1 41 LEU MD2 . . 4.520 3.476 3.247 3.844 . 0 0 "[ . 1 . 2]" 1
440 1 91 THR HA 1 92 VAL H . . 3.090 2.153 2.141 2.196 . 0 0 "[ . 1 . 2]" 1
441 1 92 VAL H 1 92 VAL MG1 . . 3.800 3.787 3.761 3.816 0.016 8 0 "[ . 1 . 2]" 1
442 1 92 VAL H 1 92 VAL HB . . 3.510 2.585 2.496 2.666 . 0 0 "[ . 1 . 2]" 1
443 1 92 VAL H 1 97 TYR HA . . 4.070 3.802 3.385 4.081 0.011 11 0 "[ . 1 . 2]" 1
444 1 92 VAL H 1 92 VAL MG2 . . 3.460 2.282 1.961 2.551 . 0 0 "[ . 1 . 2]" 1
445 1 38 GLU H 1 38 GLU HG2 . . 4.320 3.014 2.456 3.492 . 0 0 "[ . 1 . 2]" 1
446 1 38 GLU H 1 38 GLU HG3 . . 4.320 3.281 2.408 3.710 . 0 0 "[ . 1 . 2]" 1
447 1 38 GLU H 1 38 GLU HB2 . . 3.570 3.141 2.136 3.585 0.015 7 0 "[ . 1 . 2]" 1
448 1 38 GLU H 1 39 LEU H . . 3.660 2.806 2.767 2.882 . 0 0 "[ . 1 . 2]" 1
449 1 38 GLU H 1 38 GLU HB3 . . 3.570 2.684 2.302 3.466 . 0 0 "[ . 1 . 2]" 1
450 1 38 GLU H 1 40 LEU H . . 5.500 4.225 4.039 4.437 . 0 0 "[ . 1 . 2]" 1
451 1 92 VAL H 1 95 ALA MB . . 4.340 3.327 3.150 3.556 . 0 0 "[ . 1 . 2]" 1
452 1 34 TYR HA 1 38 GLU H . . 4.190 3.568 3.277 3.951 . 0 0 "[ . 1 . 2]" 1
453 1 36 LEU H 1 38 GLU H . . 4.580 4.154 3.832 4.360 . 0 0 "[ . 1 . 2]" 1
454 1 36 LEU HA 1 38 GLU H . . 5.020 4.772 4.368 4.973 . 0 0 "[ . 1 . 2]" 1
455 1 8 ILE H 1 11 MET HA . . 4.930 4.889 4.823 4.932 0.002 7 0 "[ . 1 . 2]" 1
456 1 8 ILE H 1 8 ILE HG13 . . 4.250 3.595 3.579 3.629 . 0 0 "[ . 1 . 2]" 1
457 1 8 ILE H 1 8 ILE HB . . 3.770 3.423 3.391 3.440 . 0 0 "[ . 1 . 2]" 1
458 1 8 ILE H 1 8 ILE MD . . 3.400 2.641 2.622 2.678 . 0 0 "[ . 1 . 2]" 1
459 1 8 ILE H 1 11 MET H . . 3.750 2.887 2.761 2.927 . 0 0 "[ . 1 . 2]" 1
460 1 7 THR MG 1 8 ILE H . . 3.360 2.616 2.536 2.746 . 0 0 "[ . 1 . 2]" 1
461 1 7 THR HA 1 8 ILE H . . 2.940 2.284 2.244 2.315 . 0 0 "[ . 1 . 2]" 1
462 1 8 ILE H 1 11 MET HB3 . . 4.360 3.960 3.836 4.019 . 0 0 "[ . 1 . 2]" 1
463 1 7 THR HB 1 8 ILE H . . 3.730 3.161 2.973 3.315 . 0 0 "[ . 1 . 2]" 1
464 1 86 PRO HB3 1 87 LYS H . . 4.190 3.352 3.195 3.757 . 0 0 "[ . 1 . 2]" 1
465 1 22 ARG H 1 24 GLY HA2 . . 5.500 5.271 5.127 5.440 . 0 0 "[ . 1 . 2]" 1
466 1 22 ARG H 1 27 ILE HA . . 5.500 5.270 4.857 5.519 0.019 15 0 "[ . 1 . 2]" 1
467 1 8 ILE H 1 8 ILE HG12 . . 4.820 1.943 1.928 1.977 . 0 0 "[ . 1 . 2]" 1
468 1 86 PRO HB2 1 87 LYS H . . 4.190 2.384 2.040 3.154 . 0 0 "[ . 1 . 2]" 1
469 1 22 ARG H 1 26 LYS HA . . 3.890 3.067 2.869 3.311 . 0 0 "[ . 1 . 2]" 1
470 1 21 ILE HB 1 22 ARG H . . 4.750 4.391 4.308 4.441 . 0 0 "[ . 1 . 2]" 1
471 1 21 ILE MG 1 22 ARG H . . 3.080 2.771 2.524 2.905 . 0 0 "[ . 1 . 2]" 1
472 1 21 ILE HA 1 22 ARG H . . 2.980 2.146 2.140 2.157 . 0 0 "[ . 1 . 2]" 1
473 1 22 ARG H 1 25 LYS H . . 3.810 2.916 2.668 3.335 . 0 0 "[ . 1 . 2]" 1
474 1 11 MET HA 1 22 ARG H . . 5.100 4.672 4.384 4.847 . 0 0 "[ . 1 . 2]" 1
475 1 21 ILE HG13 1 22 ARG H . . 4.610 4.281 4.155 4.375 . 0 0 "[ . 1 . 2]" 1
476 1 50 ARG HA 1 54 SER H . . 4.440 4.221 3.892 4.430 . 0 0 "[ . 1 . 2]" 1
477 1 53 ILE MG 1 54 SER H . . 3.790 3.331 3.162 3.508 . 0 0 "[ . 1 . 2]" 1
478 1 53 ILE HB 1 54 SER H . . 3.450 2.395 2.252 2.542 . 0 0 "[ . 1 . 2]" 1
479 1 53 ILE HG13 1 54 SER H . . 4.400 4.163 4.138 4.191 . 0 0 "[ . 1 . 2]" 1
480 1 53 ILE H 1 54 SER H . . 3.570 2.871 2.781 2.962 . 0 0 "[ . 1 . 2]" 1
481 1 54 SER H 1 69 ILE MD . . 3.860 2.674 2.349 3.013 . 0 0 "[ . 1 . 2]" 1
482 1 54 SER H 1 55 SER H . . 3.480 2.709 2.624 2.737 . 0 0 "[ . 1 . 2]" 1
483 1 54 SER H 1 54 SER HB2 . . 3.660 2.857 2.274 3.589 . 0 0 "[ . 1 . 2]" 1
484 1 54 SER H 1 54 SER HB3 . . 3.660 2.637 2.264 3.025 . 0 0 "[ . 1 . 2]" 1
485 1 28 HIS H 1 29 LEU HA . . 5.500 5.309 5.167 5.405 . 0 0 "[ . 1 . 2]" 1
486 1 27 ILE MD 1 28 HIS H . . 4.300 3.381 3.250 3.532 . 0 0 "[ . 1 . 2]" 1
487 1 14 ASP HB2 1 15 MET H . . 5.330 4.527 4.498 4.562 . 0 0 "[ . 1 . 2]" 1
488 1 15 MET H 1 16 VAL MG2 . . 3.780 3.393 3.329 3.518 . 0 0 "[ . 1 . 2]" 1
489 1 15 MET H 1 16 VAL MG1 . . 4.360 4.035 3.911 4.178 . 0 0 "[ . 1 . 2]" 1
490 1 15 MET H 1 18 ARG H . . 5.090 4.370 4.338 4.420 . 0 0 "[ . 1 . 2]" 1
491 1 15 MET H 1 15 MET HG2 . . 4.380 2.391 2.229 3.149 . 0 0 "[ . 1 . 2]" 1
492 1 14 ASP HB3 1 15 MET H . . 3.970 3.782 3.677 3.932 . 0 0 "[ . 1 . 2]" 1
493 1 14 ASP H 1 15 MET H . . 4.760 4.343 4.250 4.427 . 0 0 "[ . 1 . 2]" 1
494 1 15 MET H 1 16 VAL H . . 3.630 2.388 2.366 2.422 . 0 0 "[ . 1 . 2]" 1
495 1 14 ASP HA 1 15 MET H . . 3.170 2.142 2.140 2.146 . 0 0 "[ . 1 . 2]" 1
496 1 4 THR HA 1 15 MET H . . 4.640 4.087 3.894 4.188 . 0 0 "[ . 1 . 2]" 1
497 1 15 MET H 1 15 MET HG3 . . 4.380 3.113 2.447 3.436 . 0 0 "[ . 1 . 2]" 1
498 1 15 MET H 1 15 MET HB3 . . 3.620 2.579 2.526 2.693 . 0 0 "[ . 1 . 2]" 1
499 1 5 VAL H 1 15 MET H . . 4.950 4.606 4.374 4.800 . 0 0 "[ . 1 . 2]" 1
500 1 15 MET H 1 16 VAL HA . . 5.250 5.023 5.013 5.037 . 0 0 "[ . 1 . 2]" 1
501 1 14 ASP HB2 1 20 VAL H . . 5.500 5.420 5.302 5.508 0.008 12 0 "[ . 1 . 2]" 1
502 1 13 VAL MG1 1 42 GLN H . . 5.150 4.772 4.585 4.877 . 0 0 "[ . 1 . 2]" 1
503 1 42 GLN H 1 42 GLN HB3 . . 3.810 2.511 2.381 2.606 . 0 0 "[ . 1 . 2]" 1
504 1 42 GLN H 1 42 GLN HB2 . . 3.210 2.537 2.450 2.674 . 0 0 "[ . 1 . 2]" 1
505 1 41 LEU MD1 1 42 GLN H . . 3.930 2.529 2.239 2.958 . 0 0 "[ . 1 . 2]" 1
506 1 13 VAL HA 1 20 VAL H . . 5.110 4.932 4.777 5.094 . 0 0 "[ . 1 . 2]" 1
507 1 41 LEU H 1 42 GLN H . . 3.820 2.580 2.455 2.665 . 0 0 "[ . 1 . 2]" 1
508 1 20 VAL H 1 20 VAL MG1 . . 3.640 3.360 3.284 3.460 . 0 0 "[ . 1 . 2]" 1
509 1 20 VAL H 1 20 VAL MG2 . . 3.310 2.182 2.088 2.251 . 0 0 "[ . 1 . 2]" 1
510 1 20 VAL H 1 21 ILE H . . 4.480 4.052 3.971 4.127 . 0 0 "[ . 1 . 2]" 1
511 1 20 VAL H 1 20 VAL HB . . 3.960 3.782 3.729 3.804 . 0 0 "[ . 1 . 2]" 1
512 1 19 THR HA 1 20 VAL H . . 2.820 2.506 2.447 2.564 . 0 0 "[ . 1 . 2]" 1
513 1 19 THR H 1 20 VAL H . . 4.590 4.438 4.422 4.458 . 0 0 "[ . 1 . 2]" 1
514 1 38 GLU HA 1 42 GLN H . . 4.270 3.970 3.735 4.200 . 0 0 "[ . 1 . 2]" 1
515 1 41 LEU HB3 1 42 GLN H . . 4.340 3.872 3.788 3.943 . 0 0 "[ . 1 . 2]" 1
516 1 19 THR HB 1 20 VAL H . . 3.370 2.277 2.191 2.371 . 0 0 "[ . 1 . 2]" 1
517 1 42 GLN H 1 44 THR HB . . 4.800 4.861 4.829 4.951 0.151 18 0 "[ . 1 . 2]" 1
518 1 40 LEU HA 1 42 GLN H . . 4.960 4.639 4.473 4.825 . 0 0 "[ . 1 . 2]" 1
519 1 40 LEU H 1 42 GLN H . . 5.480 4.095 4.015 4.176 . 0 0 "[ . 1 . 2]" 1
520 1 49 PRO HB3 1 50 ARG H . . 4.100 3.532 3.313 3.968 . 0 0 "[ . 1 . 2]" 1
521 1 49 PRO HB2 1 50 ARG H . . 4.280 2.746 2.322 3.484 . 0 0 "[ . 1 . 2]" 1
522 1 50 ARG H 1 96 GLY HA2 . . 4.780 4.196 3.299 4.754 . 0 0 "[ . 1 . 2]" 1
523 1 49 PRO HA 1 50 ARG H . . 3.390 2.361 2.159 2.524 . 0 0 "[ . 1 . 2]" 1
524 1 50 ARG H 1 52 LEU H . . 5.240 4.042 3.607 4.565 . 0 0 "[ . 1 . 2]" 1
525 1 50 ARG H 1 69 ILE MG . . 5.500 5.515 5.483 5.543 0.043 18 0 "[ . 1 . 2]" 1
526 1 6 CYS H 1 12 THR MG . . 4.360 4.091 3.664 4.355 . 0 0 "[ . 1 . 2]" 1
527 1 5 VAL HA 1 6 CYS H . . 2.850 2.154 2.141 2.186 . 0 0 "[ . 1 . 2]" 1
528 1 6 CYS H 1 13 VAL HB . . 3.690 3.408 3.135 3.484 . 0 0 "[ . 1 . 2]" 1
529 1 6 CYS H 1 13 VAL H . . 4.170 3.762 3.510 3.993 . 0 0 "[ . 1 . 2]" 1
530 1 91 THR HB 1 98 VAL H . . 5.500 5.532 5.508 5.549 0.049 3 0 "[ . 1 . 2]" 1
531 1 91 THR HA 1 98 VAL H . . 4.050 3.101 2.922 3.162 . 0 0 "[ . 1 . 2]" 1
532 1 97 TYR HA 1 98 VAL H . . 3.060 2.226 2.188 2.309 . 0 0 "[ . 1 . 2]" 1
533 1 98 VAL H 1 98 VAL MG1 . . 3.050 2.507 2.387 2.606 . 0 0 "[ . 1 . 2]" 1
534 1 30 THR H 1 34 TYR H . . 4.930 3.807 3.635 3.942 . 0 0 "[ . 1 . 2]" 1
535 1 92 VAL H 1 98 VAL H . . 4.850 4.531 4.303 4.586 . 0 0 "[ . 1 . 2]" 1
536 1 29 LEU HA 1 30 THR H . . 3.280 2.566 2.398 2.717 . 0 0 "[ . 1 . 2]" 1
537 1 30 THR H 1 33 GLU HA . . 5.500 4.991 4.895 5.200 . 0 0 "[ . 1 . 2]" 1
538 1 30 THR H 1 34 TYR HA . . 5.500 5.482 5.246 5.518 0.018 9 0 "[ . 1 . 2]" 1
539 1 73 VAL HA 1 77 ARG H . . 3.940 3.929 3.728 4.063 0.123 19 0 "[ . 1 . 2]" 1
540 1 76 LEU H 1 77 ARG H . . 3.530 2.505 2.492 2.519 . 0 0 "[ . 1 . 2]" 1
541 1 77 ARG H 1 79 LYS HB2 . . 4.890 4.467 4.335 4.897 0.007 13 0 "[ . 1 . 2]" 1
542 1 74 ARG HA 1 77 ARG H . . 3.950 3.531 3.467 3.655 . 0 0 "[ . 1 . 2]" 1
543 1 77 ARG H 1 77 ARG HB2 . . 3.760 2.742 2.367 3.588 . 0 0 "[ . 1 . 2]" 1
544 1 77 ARG H 1 77 ARG HB3 . . 3.760 2.545 2.357 2.691 . 0 0 "[ . 1 . 2]" 1
545 1 76 LEU HG 1 77 ARG H . . 4.460 2.077 1.945 2.142 . 0 0 "[ . 1 . 2]" 1
546 1 89 ILE HG12 1 90 HIS H . . 5.170 4.547 4.273 4.856 . 0 0 "[ . 1 . 2]" 1
547 1 89 ILE HB 1 90 HIS H . . 4.600 4.271 4.103 4.459 . 0 0 "[ . 1 . 2]" 1
548 1 89 ILE MG 1 90 HIS H . . 3.480 2.761 2.212 3.424 . 0 0 "[ . 1 . 2]" 1
549 1 90 HIS H 1 90 HIS HB2 . . 3.760 2.591 2.380 2.906 . 0 0 "[ . 1 . 2]" 1
550 1 89 ILE HA 1 90 HIS H . . 3.090 2.162 2.142 2.240 . 0 0 "[ . 1 . 2]" 1
551 1 90 HIS H 1 99 LEU HA . . 4.250 2.969 2.793 3.103 . 0 0 "[ . 1 . 2]" 1
552 1 90 HIS H 1 98 VAL MG1 . . 3.770 3.554 3.304 3.783 0.013 19 0 "[ . 1 . 2]" 1
553 1 89 ILE HG13 1 90 HIS H . . 5.170 5.006 4.801 5.170 0.000 13 0 "[ . 1 . 2]" 1
554 1 12 THR H 1 23 SER H . . 4.970 4.690 4.337 4.999 0.029 12 0 "[ . 1 . 2]" 1
555 1 11 MET HG2 1 12 THR H . . 4.340 2.090 1.919 2.403 . 0 0 "[ . 1 . 2]" 1
556 1 12 THR H 1 21 ILE H . . 4.120 2.538 2.407 2.634 . 0 0 "[ . 1 . 2]" 1
557 1 12 THR H 1 12 THR MG . . 3.960 3.935 3.885 3.972 0.012 10 0 "[ . 1 . 2]" 1
558 1 11 MET HG3 1 12 THR H . . 4.340 2.684 2.482 3.058 . 0 0 "[ . 1 . 2]" 1
559 1 8 ILE MD 1 12 THR H . . 4.970 4.263 4.086 4.530 . 0 0 "[ . 1 . 2]" 1
560 1 12 THR H 1 21 ILE MG . . 4.080 3.994 3.853 4.081 0.001 2 0 "[ . 1 . 2]" 1
561 1 12 THR H 1 12 THR HB . . 3.600 2.856 2.739 2.974 . 0 0 "[ . 1 . 2]" 1
562 1 11 MET HB2 1 12 THR H . . 5.500 3.924 3.871 4.017 . 0 0 "[ . 1 . 2]" 1
563 1 11 MET HB3 1 12 THR H . . 5.500 3.156 2.980 3.486 . 0 0 "[ . 1 . 2]" 1
564 1 12 THR H 1 20 VAL HA . . 4.610 3.895 3.780 4.039 . 0 0 "[ . 1 . 2]" 1
565 1 11 MET H 1 12 THR H . . 4.920 4.354 4.328 4.364 . 0 0 "[ . 1 . 2]" 1
566 1 11 MET HA 1 12 THR H . . 3.330 2.444 2.342 2.502 . 0 0 "[ . 1 . 2]" 1
567 1 98 VAL HB 1 99 LEU H . . 4.750 3.927 3.910 3.960 . 0 0 "[ . 1 . 2]" 1
568 1 44 THR HA 1 99 LEU H . . 4.850 3.907 3.525 4.113 . 0 0 "[ . 1 . 2]" 1
569 1 47 VAL HA 1 99 LEU H . . 5.500 5.231 4.983 5.422 . 0 0 "[ . 1 . 2]" 1
570 1 91 THR H 1 92 VAL H . . 4.770 4.244 4.103 4.397 . 0 0 "[ . 1 . 2]" 1
571 1 98 VAL HA 1 99 LEU H . . 3.440 2.353 2.294 2.385 . 0 0 "[ . 1 . 2]" 1
572 1 98 VAL MG2 1 99 LEU H . . 3.690 1.968 1.891 2.058 . 0 0 "[ . 1 . 2]" 1
573 1 91 THR H 1 98 VAL MG1 . . 4.930 4.390 4.160 4.635 . 0 0 "[ . 1 . 2]" 1
574 1 91 THR H 1 91 THR HB . . 3.280 2.643 2.575 2.682 . 0 0 "[ . 1 . 2]" 1
575 1 91 THR H 1 91 THR MG . . 4.060 3.836 3.807 3.865 . 0 0 "[ . 1 . 2]" 1
576 1 90 HIS HB3 1 91 THR H . . 3.650 3.291 2.901 3.632 . 0 0 "[ . 1 . 2]" 1
577 1 90 HIS HA 1 91 THR H . . 2.850 2.171 2.139 2.241 . 0 0 "[ . 1 . 2]" 1
578 1 8 ILE HA 1 11 MET H . . 4.870 4.904 4.862 4.924 0.054 8 0 "[ . 1 . 2]" 1
579 1 8 ILE MD 1 11 MET H . . 4.820 4.359 4.334 4.380 . 0 0 "[ . 1 . 2]" 1
580 1 8 ILE HB 1 11 MET H . . 4.180 3.743 3.703 3.826 . 0 0 "[ . 1 . 2]" 1
581 1 8 ILE HG12 1 11 MET H . . 3.560 2.842 2.805 2.885 . 0 0 "[ . 1 . 2]" 1
582 1 10 ASP H 1 11 MET H . . 3.420 2.770 2.689 2.797 . 0 0 "[ . 1 . 2]" 1
583 1 11 MET H 1 11 MET HB2 . . 3.610 3.236 3.164 3.362 . 0 0 "[ . 1 . 2]" 1
584 1 11 MET H 1 11 MET HB3 . . 3.870 3.296 3.163 3.355 . 0 0 "[ . 1 . 2]" 1
585 1 9 ALA HA 1 11 MET H . . 5.120 5.148 5.121 5.209 0.089 12 0 "[ . 1 . 2]" 1
586 1 11 MET H 1 22 ARG HA . . 5.100 4.861 4.501 5.103 0.003 20 0 "[ . 1 . 2]" 1
587 1 8 ILE HB 1 9 ALA H . . 3.700 1.984 1.946 2.004 . 0 0 "[ . 1 . 2]" 1
588 1 8 ILE HA 1 9 ALA H . . 2.860 2.708 2.699 2.726 . 0 0 "[ . 1 . 2]" 1
589 1 9 ALA H 1 9 ALA HA . . 2.830 2.721 2.704 2.728 . 0 0 "[ . 1 . 2]" 1
590 1 9 ALA H 1 9 ALA MB . . 3.240 2.193 2.040 2.251 . 0 0 "[ . 1 . 2]" 1
591 1 9 ALA H 1 101 ILE MD . . 4.550 3.428 2.090 4.557 0.007 20 0 "[ . 1 . 2]" 1
592 1 9 ALA H 1 101 ILE MG . . 3.440 2.139 1.853 2.959 . 0 0 "[ . 1 . 2]" 1
593 1 12 THR H 1 13 VAL H . . 4.540 3.977 3.932 4.040 . 0 0 "[ . 1 . 2]" 1
594 1 12 THR HB 1 13 VAL H . . 4.690 4.331 4.222 4.433 . 0 0 "[ . 1 . 2]" 1
595 1 12 THR MG 1 13 VAL H . . 3.270 3.054 2.930 3.228 . 0 0 "[ . 1 . 2]" 1
596 1 13 VAL H 1 13 VAL HB . . 3.590 2.509 2.462 2.558 . 0 0 "[ . 1 . 2]" 1
597 1 7 THR HA 1 13 VAL H . . 3.800 3.145 2.974 3.330 . 0 0 "[ . 1 . 2]" 1
598 1 12 THR HA 1 13 VAL H . . 3.070 2.172 2.158 2.181 . 0 0 "[ . 1 . 2]" 1
599 1 8 ILE MG 1 9 ALA H . . 5.040 2.396 2.310 2.437 . 0 0 "[ . 1 . 2]" 1
600 1 8 ILE H 1 9 ALA H . . 4.810 4.352 4.340 4.359 . 0 0 "[ . 1 . 2]" 1
601 1 8 ILE H 1 13 VAL H . . 5.110 4.418 4.314 4.580 . 0 0 "[ . 1 . 2]" 1
602 1 9 ALA H 1 11 MET HB3 . . 5.500 5.468 5.268 5.562 0.062 11 0 "[ . 1 . 2]" 1
603 1 11 MET HB3 1 13 VAL H . . 5.500 4.558 4.437 4.716 . 0 0 "[ . 1 . 2]" 1
604 1 102 ARG H 1 103 GLU HA . . 5.270 4.825 4.641 4.991 . 0 0 "[ . 1 . 2]" 1
605 1 101 ILE MD 1 102 ARG H . . 4.520 4.173 3.815 4.532 0.012 11 0 "[ . 1 . 2]" 1
606 1 101 ILE MG 1 102 ARG H . . 3.890 3.656 3.372 3.889 . 0 0 "[ . 1 . 2]" 1
607 1 101 ILE HA 1 102 ARG H . . 3.120 2.474 2.285 2.623 . 0 0 "[ . 1 . 2]" 1
608 1 8 ILE H 1 10 ASP H . . 4.810 4.426 4.201 4.479 . 0 0 "[ . 1 . 2]" 1
609 1 102 ARG H 1 104 GLU H . . 5.200 4.024 3.818 4.206 . 0 0 "[ . 1 . 2]" 1
610 1 10 ASP H 1 11 MET HB2 . . 4.450 3.543 3.450 3.716 . 0 0 "[ . 1 . 2]" 1
611 1 9 ALA MB 1 10 ASP H . . 2.890 2.439 2.331 2.595 . 0 0 "[ . 1 . 2]" 1
612 1 87 LYS H 1 89 ILE H . . 5.500 5.470 5.308 5.527 0.027 4 0 "[ . 1 . 2]" 1
613 1 89 ILE H 1 89 ILE HG13 . . 4.020 2.358 1.945 2.730 . 0 0 "[ . 1 . 2]" 1
614 1 88 LEU H 1 89 ILE H . . 3.410 2.411 2.295 2.621 . 0 0 "[ . 1 . 2]" 1
615 1 89 ILE H 1 89 ILE HB . . 3.340 2.534 2.490 2.646 . 0 0 "[ . 1 . 2]" 1
616 1 88 LEU HB3 1 89 ILE H . . 4.280 4.193 3.951 4.311 0.031 14 0 "[ . 1 . 2]" 1
617 1 87 LYS HA 1 89 ILE H . . 3.970 3.230 3.080 3.448 . 0 0 "[ . 1 . 2]" 1
618 1 89 ILE H 1 89 ILE HG12 . . 4.020 3.656 3.299 3.941 . 0 0 "[ . 1 . 2]" 1
619 1 89 ILE H 1 89 ILE MG . . 4.150 3.788 3.765 3.852 . 0 0 "[ . 1 . 2]" 1
620 1 89 ILE H 1 89 ILE MD . . 4.430 3.591 3.250 3.917 . 0 0 "[ . 1 . 2]" 1
621 1 88 LEU HB2 1 89 ILE H . . 3.880 3.689 3.244 3.899 0.019 2 0 "[ . 1 . 2]" 1
622 1 89 ILE H 1 90 HIS H . . 4.700 4.386 4.085 4.552 . 0 0 "[ . 1 . 2]" 1
623 1 100 GLU H 1 101 ILE H . . 4.650 4.282 4.048 4.371 . 0 0 "[ . 1 . 2]" 1
624 1 90 HIS H 1 100 GLU H . . 4.370 4.090 3.791 4.361 . 0 0 "[ . 1 . 2]" 1
625 1 99 LEU HA 1 100 GLU H . . 3.170 2.229 2.154 2.310 . 0 0 "[ . 1 . 2]" 1
626 1 100 GLU H 1 101 ILE MG . . 4.620 4.411 3.567 4.650 0.030 6 0 "[ . 1 . 2]" 1
627 1 48 LEU H 1 48 LEU HG . . 4.470 2.074 1.977 2.163 . 0 0 "[ . 1 . 2]" 1
628 1 48 LEU H 1 98 VAL HB . . 3.960 3.661 3.463 3.820 . 0 0 "[ . 1 . 2]" 1
629 1 47 VAL MG1 1 48 LEU H . . 4.380 2.794 2.196 3.913 . 0 0 "[ . 1 . 2]" 1
630 1 47 VAL HA 1 48 LEU H . . 3.280 2.160 2.141 2.181 . 0 0 "[ . 1 . 2]" 1
631 1 47 VAL HB 1 48 LEU H . . 4.260 4.099 3.991 4.195 . 0 0 "[ . 1 . 2]" 1
632 1 47 VAL H 1 48 LEU H . . 4.590 4.520 4.425 4.562 . 0 0 "[ . 1 . 2]" 1
633 1 48 LEU H 1 96 GLY HA3 . . 4.650 4.320 4.197 4.480 . 0 0 "[ . 1 . 2]" 1
634 1 48 LEU H 1 98 VAL HA . . 4.250 3.996 3.754 4.225 . 0 0 "[ . 1 . 2]" 1
635 1 48 LEU H 1 97 TYR HA . . 5.320 4.928 4.745 5.026 . 0 0 "[ . 1 . 2]" 1
636 1 7 THR HB 1 8 ILE MD . . 4.580 4.413 4.345 4.450 . 0 0 "[ . 1 . 2]" 1
637 1 12 THR HB 1 21 ILE MG . . 3.960 3.358 3.173 3.523 . 0 0 "[ . 1 . 2]" 1
638 1 12 THR HB 1 21 ILE HB . . 3.960 2.003 1.982 2.050 . 0 0 "[ . 1 . 2]" 1
639 1 91 THR HB 1 92 VAL H . . 4.830 4.303 4.081 4.436 . 0 0 "[ . 1 . 2]" 1
640 1 41 LEU HA 1 44 THR HB . . 4.210 2.157 1.989 2.291 . 0 0 "[ . 1 . 2]" 1
641 1 73 VAL HA 1 76 LEU HG . . 4.540 2.625 2.428 2.756 . 0 0 "[ . 1 . 2]" 1
642 1 73 VAL HA 1 76 LEU H . . 4.470 3.652 3.569 3.695 . 0 0 "[ . 1 . 2]" 1
643 1 35 VAL HA 1 36 LEU HA . . 4.880 4.749 4.712 4.816 . 0 0 "[ . 1 . 2]" 1
644 1 35 VAL HA 1 35 VAL MG1 . . 3.290 2.511 2.465 2.591 . 0 0 "[ . 1 . 2]" 1
645 1 71 VAL HA 1 74 ARG HB2 . . 3.970 2.550 2.473 2.645 . 0 0 "[ . 1 . 2]" 1
646 1 35 VAL HA 1 38 GLU H . . 4.300 3.705 3.317 4.038 . 0 0 "[ . 1 . 2]" 1
647 1 35 VAL HA 1 38 GLU HG3 . . 4.360 2.993 2.255 3.555 . 0 0 "[ . 1 . 2]" 1
648 1 16 VAL HA 1 16 VAL MG1 . . 3.160 2.283 2.140 2.339 . 0 0 "[ . 1 . 2]" 1
649 1 16 VAL HA 1 16 VAL MG2 . . 3.240 3.193 3.180 3.199 . 0 0 "[ . 1 . 2]" 1
650 1 16 VAL HA 1 18 ARG H . . 4.520 4.315 4.228 4.361 . 0 0 "[ . 1 . 2]" 1
651 1 68 VAL HA 1 72 ALA H . . 4.830 3.949 3.601 4.135 . 0 0 "[ . 1 . 2]" 1
652 1 66 THR MG 1 68 VAL HA . . 4.740 3.033 2.895 3.225 . 0 0 "[ . 1 . 2]" 1
653 1 15 MET HB2 1 16 VAL HA . . 5.140 4.851 4.723 4.907 . 0 0 "[ . 1 . 2]" 1
654 1 35 VAL MG1 1 57 VAL HA . . 4.170 3.580 3.455 3.653 . 0 0 "[ . 1 . 2]" 1
655 1 57 VAL HA 1 57 VAL MG1 . . 3.310 1.952 1.930 1.987 . 0 0 "[ . 1 . 2]" 1
656 1 64 SER HA 1 64 SER HB2 . . 3.010 2.660 2.281 3.028 0.018 14 0 "[ . 1 . 2]" 1
657 1 64 SER HA 1 64 SER HB3 . . 3.010 2.569 2.305 3.017 0.007 9 0 "[ . 1 . 2]" 1
658 1 54 SER HB2 1 69 ILE MD . . 4.410 3.004 2.185 4.054 . 0 0 "[ . 1 . 2]" 1
659 1 53 ILE H 1 55 SER HB3 . . 5.500 5.205 4.803 5.491 . 0 0 "[ . 1 . 2]" 1
660 1 55 SER HB2 1 59 ASN H . . 5.500 5.183 5.012 5.455 . 0 0 "[ . 1 . 2]" 1
661 1 55 SER HB3 1 56 LEU H . . 3.400 3.006 2.869 3.263 . 0 0 "[ . 1 . 2]" 1
662 1 55 SER HB2 1 60 MET HB3 . . 3.840 2.058 1.991 2.153 . 0 0 "[ . 1 . 2]" 1
663 1 55 SER HB2 1 60 MET HB2 . . 4.330 3.395 3.032 3.860 . 0 0 "[ . 1 . 2]" 1
664 1 55 SER HB3 1 60 MET HB2 . . 4.940 4.648 3.984 4.936 . 0 0 "[ . 1 . 2]" 1
665 1 54 SER HB3 1 69 ILE MD . . 4.410 3.401 2.259 4.155 . 0 0 "[ . 1 . 2]" 1
666 1 69 ILE HA 1 73 VAL H . . 4.720 4.379 4.170 4.455 . 0 0 "[ . 1 . 2]" 1
667 1 55 SER HB2 1 60 MET HA . . 4.080 3.103 1.996 4.079 . 0 0 "[ . 1 . 2]" 1
668 1 29 LEU HG 1 34 TYR HA . . 5.500 4.988 4.282 5.513 0.013 17 0 "[ . 1 . 2]" 1
669 1 54 SER HA 1 69 ILE MD . . 4.020 2.242 1.917 2.670 . 0 0 "[ . 1 . 2]" 1
670 1 47 VAL HA 1 98 VAL MG2 . . 4.120 2.859 2.636 3.229 . 0 0 "[ . 1 . 2]" 1
671 1 91 THR HA 1 91 THR MG . . 3.740 2.386 2.353 2.432 . 0 0 "[ . 1 . 2]" 1
672 1 4 THR HA 1 15 MET HB3 . . 4.400 4.359 4.218 4.409 0.009 1 0 "[ . 1 . 2]" 1
673 1 88 LEU HB3 1 101 ILE HA . . 5.090 4.268 3.823 4.755 . 0 0 "[ . 1 . 2]" 1
674 1 49 PRO HA 1 96 GLY HA2 . . 4.470 3.722 3.409 3.914 . 0 0 "[ . 1 . 2]" 1
675 1 8 ILE MD 1 12 THR HA . . 4.970 3.040 2.848 3.287 . 0 0 "[ . 1 . 2]" 1
676 1 12 THR HA 1 13 VAL MG2 . . 5.210 3.816 3.765 3.868 . 0 0 "[ . 1 . 2]" 1
677 1 8 ILE H 1 12 THR HA . . 4.000 3.601 3.511 3.745 . 0 0 "[ . 1 . 2]" 1
678 1 91 THR HA 1 97 TYR HA . . 4.210 2.595 2.332 2.820 . 0 0 "[ . 1 . 2]" 1
679 1 4 THR HA 1 16 VAL MG1 . . 3.790 3.115 2.902 3.440 . 0 0 "[ . 1 . 2]" 1
680 1 55 SER HA 1 57 VAL H . . 4.910 3.592 3.555 3.652 . 0 0 "[ . 1 . 2]" 1
681 1 49 PRO HA 1 97 TYR H . . 4.500 4.391 4.176 4.498 . 0 0 "[ . 1 . 2]" 1
682 1 12 THR HA 1 21 ILE MG . . 5.500 5.504 5.482 5.520 0.020 2 0 "[ . 1 . 2]" 1
683 1 49 PRO HA 1 96 GLY HA3 . . 3.530 2.849 2.715 2.981 . 0 0 "[ . 1 . 2]" 1
684 1 8 ILE HG12 1 12 THR HA . . 4.610 3.679 3.538 3.924 . 0 0 "[ . 1 . 2]" 1
685 1 92 VAL HA 1 92 VAL MG1 . . 3.500 2.270 2.196 2.369 . 0 0 "[ . 1 . 2]" 1
686 1 77 ARG H 1 78 SER HA . . 5.310 5.277 5.144 5.328 0.018 19 0 "[ . 1 . 2]" 1
687 1 49 PRO HA 1 50 ARG HA . . 4.690 4.362 4.335 4.419 . 0 0 "[ . 1 . 2]" 1
688 1 5 VAL HA 1 15 MET H . . 3.990 3.043 2.804 3.335 . 0 0 "[ . 1 . 2]" 1
689 1 5 VAL HA 1 6 CYS HA . . 4.630 4.396 4.390 4.436 . 0 0 "[ . 1 . 2]" 1
690 1 30 THR HA 1 30 THR MG . . 3.260 3.198 3.191 3.203 . 0 0 "[ . 1 . 2]" 1
691 1 57 VAL MG2 1 58 TRP HA . . 4.730 4.434 4.406 4.484 . 0 0 "[ . 1 . 2]" 1
692 1 6 CYS HA 1 7 THR HA . . 4.650 4.395 4.378 4.408 . 0 0 "[ . 1 . 2]" 1
693 1 7 THR HA 1 8 ILE MD . . 4.190 2.630 2.568 2.682 . 0 0 "[ . 1 . 2]" 1
694 1 57 VAL H 1 58 TRP HA . . 5.070 4.862 4.832 4.899 . 0 0 "[ . 1 . 2]" 1
695 1 89 ILE HA 1 99 LEU HA . . 4.750 3.158 2.780 3.551 . 0 0 "[ . 1 . 2]" 1
696 1 88 LEU HB3 1 89 ILE HA . . 5.020 4.545 4.304 4.750 . 0 0 "[ . 1 . 2]" 1
697 1 79 LYS H 1 80 ILE HA . . 5.090 4.961 4.909 5.020 . 0 0 "[ . 1 . 2]" 1
698 1 74 ARG HA 1 74 ARG HG3 . . 3.890 3.721 3.665 3.764 . 0 0 "[ . 1 . 2]" 1
699 1 76 LEU HG 1 77 ARG HA . . 4.240 3.498 3.405 3.705 . 0 0 "[ . 1 . 2]" 1
700 1 38 GLU HA 1 41 LEU MD2 . . 4.220 1.998 1.927 2.211 . 0 0 "[ . 1 . 2]" 1
701 1 7 THR HA 1 11 MET H . . 4.820 4.700 4.498 4.784 . 0 0 "[ . 1 . 2]" 1
702 1 7 THR HA 1 12 THR HA . . 4.000 2.499 2.424 2.589 . 0 0 "[ . 1 . 2]" 1
703 1 7 THR HA 1 8 ILE HA . . 4.590 4.426 4.418 4.435 . 0 0 "[ . 1 . 2]" 1
704 1 8 ILE HA 1 8 ILE HG12 . . 3.640 3.559 3.554 3.563 . 0 0 "[ . 1 . 2]" 1
705 1 76 LEU MD2 1 77 ARG HA . . 4.870 4.695 4.648 4.791 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLU HA 1 35 VAL HB . . 5.320 5.126 5.012 5.326 0.006 7 0 "[ . 1 . 2]" 1
707 1 80 ILE HA 1 83 ASP H . . 4.680 4.095 3.659 4.510 . 0 0 "[ . 1 . 2]" 1
708 1 63 ASP H 1 64 SER HA . . 5.200 4.982 4.336 5.208 0.008 18 0 "[ . 1 . 2]" 1
709 1 75 ARG HA 1 75 ARG HD2 . . 4.890 4.797 4.728 4.892 0.002 4 0 "[ . 1 . 2]" 1
710 1 14 ASP HB2 1 19 THR HA . . 4.920 4.896 4.791 4.930 0.010 12 0 "[ . 1 . 2]" 1
711 1 19 THR HA 1 19 THR MG . . 3.320 2.447 2.419 2.477 . 0 0 "[ . 1 . 2]" 1
712 1 64 SER HA 1 65 ASP HA . . 4.580 4.405 4.351 4.496 . 0 0 "[ . 1 . 2]" 1
713 1 75 ARG HA 1 75 ARG HG2 . . 4.020 3.783 3.765 3.800 . 0 0 "[ . 1 . 2]" 1
714 1 75 ARG HA 1 75 ARG HG3 . . 3.830 3.703 3.680 3.729 . 0 0 "[ . 1 . 2]" 1
715 1 21 ILE HA 1 26 LYS HA . . 3.950 2.043 1.975 2.147 . 0 0 "[ . 1 . 2]" 1
716 1 20 VAL HB 1 21 ILE HA . . 5.410 4.558 4.439 4.611 . 0 0 "[ . 1 . 2]" 1
717 1 82 ASP HA 1 83 ASP HA . . 4.610 4.527 4.499 4.553 . 0 0 "[ . 1 . 2]" 1
718 1 98 VAL HA 1 98 VAL MG1 . . 3.320 3.194 3.179 3.202 . 0 0 "[ . 1 . 2]" 1
719 1 70 ASP HA 1 72 ALA H . . 4.690 4.278 4.180 4.488 . 0 0 "[ . 1 . 2]" 1
720 1 32 LYS HA 1 57 VAL MG2 . . 4.030 3.955 3.690 4.057 0.027 15 0 "[ . 1 . 2]" 1
721 1 40 LEU HA 1 40 LEU MD1 . . 3.880 2.973 1.941 3.820 . 0 0 "[ . 1 . 2]" 1
722 1 40 LEU HA 1 43 ARG HB2 . . 4.110 3.888 3.647 4.112 0.002 8 0 "[ . 1 . 2]" 1
723 1 32 LYS HA 1 35 VAL HB . . 3.690 2.838 2.510 2.996 . 0 0 "[ . 1 . 2]" 1
724 1 36 LEU HA 1 53 ILE MG . . 3.800 2.321 1.900 2.937 . 0 0 "[ . 1 . 2]" 1
725 1 32 LYS HA 1 34 TYR H . . 5.000 4.353 4.158 4.485 . 0 0 "[ . 1 . 2]" 1
726 1 36 LEU H 1 37 LEU HA . . 5.500 5.198 5.101 5.368 . 0 0 "[ . 1 . 2]" 1
727 1 49 PRO HB2 1 52 LEU HA . . 5.500 5.255 5.055 5.516 0.016 20 0 "[ . 1 . 2]" 1
728 1 26 LYS HA 1 27 ILE HG12 . . 4.210 3.750 3.622 3.836 . 0 0 "[ . 1 . 2]" 1
729 1 97 TYR HA 1 98 VAL HA . . 4.570 4.459 4.435 4.507 . 0 0 "[ . 1 . 2]" 1
730 1 25 LYS HB2 1 26 LYS HA . . 5.390 5.247 4.815 5.331 . 0 0 "[ . 1 . 2]" 1
731 1 35 VAL MG1 1 56 LEU HA . . 4.070 4.006 3.873 4.071 0.001 15 0 "[ . 1 . 2]" 1
732 1 35 VAL MG2 1 56 LEU HA . . 4.520 4.530 4.522 4.540 0.020 9 0 "[ . 1 . 2]" 1
733 1 41 LEU HA 1 99 LEU MD2 . . 4.360 2.461 2.155 2.818 . 0 0 "[ . 1 . 2]" 1
734 1 13 VAL MG1 1 18 ARG HA . . 4.400 3.925 3.707 4.292 . 0 0 "[ . 1 . 2]" 1
735 1 40 LEU HA 1 41 LEU HA . . 4.980 4.730 4.703 4.748 . 0 0 "[ . 1 . 2]" 1
736 1 13 VAL MG1 1 41 LEU HA . . 4.480 3.541 3.005 3.985 . 0 0 "[ . 1 . 2]" 1
737 1 16 VAL MG2 1 17 ARG HA . . 4.840 3.711 3.604 3.842 . 0 0 "[ . 1 . 2]" 1
738 1 12 THR H 1 22 ARG HA . . 4.680 3.762 3.617 3.921 . 0 0 "[ . 1 . 2]" 1
739 1 28 HIS HA 1 29 LEU HG . . 4.960 3.545 3.311 4.017 . 0 0 "[ . 1 . 2]" 1
740 1 17 ARG HA 1 17 ARG HG3 . . 3.830 3.370 3.074 3.806 . 0 0 "[ . 1 . 2]" 1
741 1 28 HIS HA 1 29 LEU MD2 . . 5.500 4.404 2.720 4.884 . 0 0 "[ . 1 . 2]" 1
742 1 103 GLU HA 1 103 GLU HG2 . . 4.240 3.532 2.536 4.220 . 0 0 "[ . 1 . 2]" 1
743 1 103 GLU HA 1 103 GLU HG3 . . 4.240 3.307 2.460 3.800 . 0 0 "[ . 1 . 2]" 1
744 1 71 VAL HA 1 72 ALA HA . . 4.980 4.778 4.740 4.810 . 0 0 "[ . 1 . 2]" 1
745 1 80 ILE MG 1 81 ASP HA . . 4.350 3.405 3.292 3.593 . 0 0 "[ . 1 . 2]" 1
746 1 101 ILE HB 1 102 ARG HA . . 5.500 4.677 4.412 4.910 . 0 0 "[ . 1 . 2]" 1
747 1 72 ALA HA 1 75 ARG H . . 3.950 3.683 3.636 3.721 . 0 0 "[ . 1 . 2]" 1
748 1 71 VAL MG1 1 72 ALA HA . . 4.310 3.570 3.441 3.665 . 0 0 "[ . 1 . 2]" 1
749 1 21 ILE MG 1 25 LYS HA . . 4.170 3.592 3.326 3.748 . 0 0 "[ . 1 . 2]" 1
750 1 11 MET HA 1 21 ILE MG . . 4.800 4.348 4.271 4.454 . 0 0 "[ . 1 . 2]" 1
751 1 11 MET HA 1 22 ARG HA . . 4.230 2.281 1.993 2.536 . 0 0 "[ . 1 . 2]" 1
752 1 87 LYS HA 1 88 LEU HB2 . . 4.880 4.520 4.286 4.737 . 0 0 "[ . 1 . 2]" 1
753 1 55 SER HA 1 59 ASN HA . . 4.130 2.202 2.051 2.487 . 0 0 "[ . 1 . 2]" 1
754 1 63 ASP HA 1 64 SER HA . . 4.650 4.442 4.305 4.670 0.020 7 0 "[ . 1 . 2]" 1
755 1 8 ILE HA 1 9 ALA HA . . 4.370 4.339 4.336 4.348 . 0 0 "[ . 1 . 2]" 1
756 1 85 GLU HA 1 86 PRO HA . . 4.460 4.386 4.385 4.387 . 0 0 "[ . 1 . 2]" 1
757 1 29 LEU HA 1 30 THR MG . . 4.670 4.234 4.127 4.476 . 0 0 "[ . 1 . 2]" 1
758 1 43 ARG HA 1 46 GLU HG2 . . 4.620 3.784 3.554 4.177 . 0 0 "[ . 1 . 2]" 1
759 1 43 ARG HA 1 46 GLU HG3 . . 5.220 3.915 3.458 4.220 . 0 0 "[ . 1 . 2]" 1
760 1 9 ALA MB 1 10 ASP HA . . 4.620 4.249 4.190 4.301 . 0 0 "[ . 1 . 2]" 1
761 1 98 VAL HA 1 99 LEU HA . . 4.430 4.397 4.367 4.430 . 0 0 "[ . 1 . 2]" 1
762 1 98 VAL MG1 1 99 LEU HA . . 4.310 3.672 3.532 3.850 . 0 0 "[ . 1 . 2]" 1
763 1 14 ASP HA 1 16 VAL H . . 4.890 3.471 3.403 3.529 . 0 0 "[ . 1 . 2]" 1
764 1 3 ALA HA 1 5 VAL H . . 4.120 3.533 3.155 4.108 . 0 0 "[ . 1 . 2]" 1
765 1 6 CYS H 1 14 ASP HA . . 4.690 3.445 3.343 3.584 . 0 0 "[ . 1 . 2]" 1
766 1 13 VAL MG1 1 14 ASP HA . . 4.830 3.740 3.567 3.834 . 0 0 "[ . 1 . 2]" 1
767 1 14 ASP HA 1 16 VAL MG2 . . 4.720 3.857 3.731 3.969 . 0 0 "[ . 1 . 2]" 1
768 1 3 ALA HA 1 4 THR MG . . 4.590 4.037 3.467 4.350 . 0 0 "[ . 1 . 2]" 1
769 1 45 GLY HA2 1 98 VAL MG2 . . 5.000 3.766 3.588 3.907 . 0 0 "[ . 1 . 2]" 1
770 1 21 ILE MG 1 24 GLY HA2 . . 4.200 2.034 2.006 2.058 . 0 0 "[ . 1 . 2]" 1
771 1 45 GLY HA3 1 98 VAL MG2 . . 5.000 4.581 4.388 4.714 . 0 0 "[ . 1 . 2]" 1
772 1 8 ILE MG 1 88 LEU HB2 . . 5.500 5.461 5.112 5.527 0.027 20 0 "[ . 1 . 2]" 1
773 1 88 LEU HB2 1 89 ILE MD . . 5.500 5.233 5.008 5.313 . 0 0 "[ . 1 . 2]" 1
774 1 72 ALA HA 1 75 ARG HD2 . . 4.030 2.533 2.381 2.683 . 0 0 "[ . 1 . 2]" 1
775 1 72 ALA HA 1 75 ARG HD3 . . 4.170 2.193 2.015 2.318 . 0 0 "[ . 1 . 2]" 1
776 1 71 VAL MG1 1 75 ARG HD2 . . 3.320 2.494 2.414 2.708 . 0 0 "[ . 1 . 2]" 1
777 1 75 ARG HD3 1 76 LEU MD2 . . 5.290 5.149 5.063 5.240 . 0 0 "[ . 1 . 2]" 1
778 1 27 ILE MD 1 84 PHE HB3 . . 4.310 3.936 3.641 4.408 0.098 4 0 "[ . 1 . 2]" 1
779 1 41 LEU H 1 41 LEU HB2 . . 3.870 3.588 3.573 3.607 . 0 0 "[ . 1 . 2]" 1
780 1 53 ILE MG 1 56 LEU HB3 . . 4.950 4.244 3.872 4.529 . 0 0 "[ . 1 . 2]" 1
781 1 41 LEU HB2 1 42 GLN H . . 4.340 3.700 3.443 3.981 . 0 0 "[ . 1 . 2]" 1
782 1 21 ILE HB 1 24 GLY H . . 4.490 4.271 4.090 4.504 0.014 14 0 "[ . 1 . 2]" 1
783 1 53 ILE HA 1 56 LEU HB3 . . 4.520 4.226 4.039 4.432 . 0 0 "[ . 1 . 2]" 1
784 1 21 ILE MD 1 26 LYS HE2 . . 4.210 2.964 2.597 3.518 . 0 0 "[ . 1 . 2]" 1
785 1 21 ILE MD 1 26 LYS HE3 . . 4.210 3.288 2.317 3.949 . 0 0 "[ . 1 . 2]" 1
786 1 26 LYS HA 1 26 LYS HE2 . . 5.500 4.623 3.692 5.342 . 0 0 "[ . 1 . 2]" 1
787 1 26 LYS HA 1 26 LYS HE3 . . 5.500 4.349 3.741 5.245 . 0 0 "[ . 1 . 2]" 1
788 1 12 THR H 1 21 ILE HB . . 4.560 3.297 3.094 3.445 . 0 0 "[ . 1 . 2]" 1
789 1 38 GLU H 1 39 LEU HB2 . . 5.040 4.765 4.657 4.867 . 0 0 "[ . 1 . 2]" 1
790 1 12 THR MG 1 21 ILE HB . . 3.620 3.536 3.385 3.627 0.007 17 0 "[ . 1 . 2]" 1
791 1 70 ASP HB3 1 71 VAL HA . . 4.740 4.419 4.039 4.658 . 0 0 "[ . 1 . 2]" 1
792 1 67 ASN HB2 1 71 VAL MG2 . . 4.580 3.010 2.334 4.323 . 0 0 "[ . 1 . 2]" 1
793 1 67 ASN HB3 1 71 VAL MG2 . . 4.580 3.207 2.401 3.681 . 0 0 "[ . 1 . 2]" 1
794 1 80 ILE H 1 80 ILE HB . . 3.960 3.378 3.178 3.544 . 0 0 "[ . 1 . 2]" 1
795 1 50 ARG HA 1 53 ILE HB . . 4.300 3.138 2.837 3.406 . 0 0 "[ . 1 . 2]" 1
796 1 53 ILE HB 1 69 ILE MD . . 4.710 2.546 2.012 2.975 . 0 0 "[ . 1 . 2]" 1
797 1 27 ILE HB 1 27 ILE MD . . 3.330 3.218 3.214 3.230 . 0 0 "[ . 1 . 2]" 1
798 1 37 LEU H 1 38 GLU HG2 . . 5.500 4.787 3.940 5.511 0.011 4 0 "[ . 1 . 2]" 1
799 1 37 LEU H 1 38 GLU HG3 . . 5.500 5.061 3.892 5.513 0.013 20 0 "[ . 1 . 2]" 1
800 1 35 VAL HA 1 38 GLU HG2 . . 4.360 2.777 1.981 4.365 0.005 4 0 "[ . 1 . 2]" 1
801 1 20 VAL HB 1 27 ILE HB . . 4.440 3.960 3.602 4.309 . 0 0 "[ . 1 . 2]" 1
802 1 59 ASN HB3 1 60 MET H . . 4.510 2.991 2.145 3.865 . 0 0 "[ . 1 . 2]" 1
803 1 8 ILE HB 1 11 MET HB2 . . 4.990 4.022 3.861 4.258 . 0 0 "[ . 1 . 2]" 1
804 1 8 ILE HB 1 11 MET HB3 . . 5.170 3.598 3.402 3.698 . 0 0 "[ . 1 . 2]" 1
805 1 8 ILE MD 1 11 MET HB3 . . 5.070 3.142 3.074 3.267 . 0 0 "[ . 1 . 2]" 1
806 1 11 MET HB3 1 13 VAL MG2 . . 5.160 3.381 3.251 3.576 . 0 0 "[ . 1 . 2]" 1
807 1 69 ILE HB 1 70 ASP HA . . 4.880 4.202 4.118 4.311 . 0 0 "[ . 1 . 2]" 1
808 1 46 GLU HG3 1 47 VAL HA . . 4.990 4.798 4.564 4.929 . 0 0 "[ . 1 . 2]" 1
809 1 47 VAL HA 1 98 VAL HB . . 4.610 2.005 1.969 2.138 . 0 0 "[ . 1 . 2]" 1
810 1 101 ILE MD 1 103 GLU HG2 . . 5.500 4.199 3.109 5.500 0.000 7 0 "[ . 1 . 2]" 1
811 1 101 ILE MD 1 103 GLU HG3 . . 5.500 4.209 2.626 5.486 . 0 0 "[ . 1 . 2]" 1
812 1 46 GLU HA 1 46 GLU HG2 . . 4.180 3.719 3.624 3.810 . 0 0 "[ . 1 . 2]" 1
813 1 46 GLU HB2 1 46 GLU HG3 . . 2.990 2.497 2.417 2.569 . 0 0 "[ . 1 . 2]" 1
814 1 85 GLU HA 1 85 GLU HG2 . . 4.070 2.715 2.083 3.799 . 0 0 "[ . 1 . 2]" 1
815 1 85 GLU HA 1 85 GLU HG3 . . 4.070 3.312 2.482 3.817 . 0 0 "[ . 1 . 2]" 1
816 1 43 ARG HB3 1 46 GLU HG2 . . 3.510 3.372 2.927 3.526 0.016 11 0 "[ . 1 . 2]" 1
817 1 43 ARG HB3 1 46 GLU HG3 . . 3.650 2.339 2.161 2.542 . 0 0 "[ . 1 . 2]" 1
818 1 9 ALA MB 1 86 PRO HB2 . . 5.500 5.313 4.539 5.529 0.029 4 0 "[ . 1 . 2]" 1
819 1 9 ALA MB 1 86 PRO HB3 . . 5.500 5.398 4.436 5.511 0.011 9 0 "[ . 1 . 2]" 1
820 1 59 ASN HA 1 60 MET HB3 . . 4.590 4.454 4.277 4.598 0.008 10 0 "[ . 1 . 2]" 1
821 1 42 GLN H 1 42 GLN HG2 . . 5.350 4.465 4.368 4.594 . 0 0 "[ . 1 . 2]" 1
822 1 42 GLN H 1 42 GLN HG3 . . 5.350 4.453 4.398 4.509 . 0 0 "[ . 1 . 2]" 1
823 1 13 VAL HB 1 14 ASP H . . 4.810 4.021 3.862 4.154 . 0 0 "[ . 1 . 2]" 1
824 1 5 VAL HB 1 12 THR MG . . 4.430 4.218 4.053 4.398 . 0 0 "[ . 1 . 2]" 1
825 1 25 LYS HB2 1 26 LYS H . . 4.690 4.364 3.896 4.466 . 0 0 "[ . 1 . 2]" 1
826 1 90 HIS HB2 1 98 VAL MG1 . . 4.210 2.616 2.110 3.301 . 0 0 "[ . 1 . 2]" 1
827 1 90 HIS HB3 1 98 VAL MG1 . . 4.580 2.887 2.197 3.349 . 0 0 "[ . 1 . 2]" 1
828 1 25 LYS HA 1 26 LYS HB2 . . 5.090 4.658 4.531 4.800 . 0 0 "[ . 1 . 2]" 1
829 1 25 LYS HA 1 26 LYS HB3 . . 5.430 4.546 4.431 4.662 . 0 0 "[ . 1 . 2]" 1
830 1 71 VAL HB 1 72 ALA HA . . 4.430 4.296 4.256 4.343 . 0 0 "[ . 1 . 2]" 1
831 1 22 ARG H 1 26 LYS HB2 . . 5.390 5.176 4.960 5.438 0.048 12 0 "[ . 1 . 2]" 1
832 1 60 MET HA 1 60 MET HG3 . . 4.160 3.789 3.661 3.892 . 0 0 "[ . 1 . 2]" 1
833 1 57 VAL H 1 57 VAL HB . . 3.650 3.526 3.499 3.555 . 0 0 "[ . 1 . 2]" 1
834 1 68 VAL HA 1 71 VAL HB . . 3.880 2.561 2.338 2.700 . 0 0 "[ . 1 . 2]" 1
835 1 68 VAL MG1 1 71 VAL HB . . 5.440 4.854 3.602 5.155 . 0 0 "[ . 1 . 2]" 1
836 1 60 MET H 1 60 MET HG3 . . 4.480 3.230 2.378 3.719 . 0 0 "[ . 1 . 2]" 1
837 1 60 MET HA 1 60 MET HG2 . . 4.160 3.693 3.631 3.812 . 0 0 "[ . 1 . 2]" 1
838 1 35 VAL MG1 1 57 VAL HB . . 4.110 4.136 4.100 4.167 0.057 5 0 "[ . 1 . 2]" 1
839 1 11 MET HG2 1 22 ARG HA . . 4.600 3.763 3.584 4.094 . 0 0 "[ . 1 . 2]" 1
840 1 11 MET HG3 1 22 ARG HA . . 4.600 2.137 1.985 2.621 . 0 0 "[ . 1 . 2]" 1
841 1 11 MET HG3 1 20 VAL MG1 . . 4.970 4.518 3.898 4.702 . 0 0 "[ . 1 . 2]" 1
842 1 57 VAL HB 1 59 ASN H . . 5.260 5.107 4.978 5.175 . 0 0 "[ . 1 . 2]" 1
843 1 46 GLU HB2 1 48 LEU MD2 . . 4.300 4.022 3.252 4.335 0.035 3 0 "[ . 1 . 2]" 1
844 1 46 GLU HB2 1 48 LEU HA . . 5.500 5.418 5.316 5.512 0.012 20 0 "[ . 1 . 2]" 1
845 1 35 VAL HB 1 57 VAL MG2 . . 3.770 3.331 3.159 3.548 . 0 0 "[ . 1 . 2]" 1
846 1 47 VAL HB 1 96 GLY H . . 5.050 4.647 4.432 4.816 . 0 0 "[ . 1 . 2]" 1
847 1 47 VAL HB 1 95 ALA MB . . 3.960 2.594 2.183 3.546 . 0 0 "[ . 1 . 2]" 1
848 1 104 GLU H 1 104 GLU HB3 . . 3.620 2.485 2.169 2.742 . 0 0 "[ . 1 . 2]" 1
849 1 28 HIS HB2 1 29 LEU H . . 4.860 3.828 2.834 4.459 . 0 0 "[ . 1 . 2]" 1
850 1 28 HIS HB3 1 29 LEU H . . 4.860 3.587 2.843 4.127 . 0 0 "[ . 1 . 2]" 1
851 1 74 ARG HB2 1 75 ARG HA . . 5.010 4.469 4.385 4.595 . 0 0 "[ . 1 . 2]" 1
852 1 74 ARG HB3 1 75 ARG HA . . 5.310 4.299 4.208 4.460 . 0 0 "[ . 1 . 2]" 1
853 1 25 LYS H 1 25 LYS HD2 . . 5.020 2.845 2.460 3.929 . 0 0 "[ . 1 . 2]" 1
854 1 25 LYS H 1 25 LYS HD3 . . 5.020 3.491 2.442 4.067 . 0 0 "[ . 1 . 2]" 1
855 1 38 GLU HB2 1 39 LEU H . . 4.600 3.584 2.714 4.036 . 0 0 "[ . 1 . 2]" 1
856 1 25 LYS HA 1 25 LYS HD2 . . 4.860 3.549 2.634 4.175 . 0 0 "[ . 1 . 2]" 1
857 1 25 LYS HA 1 25 LYS HD3 . . 4.860 4.248 3.291 4.623 . 0 0 "[ . 1 . 2]" 1
858 1 42 GLN HB3 1 43 ARG HB2 . . 4.740 4.201 3.891 4.658 . 0 0 "[ . 1 . 2]" 1
859 1 17 ARG HA 1 17 ARG HG2 . . 3.830 2.466 2.298 2.786 . 0 0 "[ . 1 . 2]" 1
860 1 74 ARG H 1 75 ARG HG2 . . 5.080 4.051 3.966 4.123 . 0 0 "[ . 1 . 2]" 1
861 1 75 ARG HG2 1 76 LEU HA . . 5.190 4.420 4.375 4.522 . 0 0 "[ . 1 . 2]" 1
862 1 75 ARG H 1 75 ARG HG3 . . 3.800 3.508 3.395 3.559 . 0 0 "[ . 1 . 2]" 1
863 1 74 ARG HA 1 74 ARG HG2 . . 3.890 2.680 2.453 2.833 . 0 0 "[ . 1 . 2]" 1
864 1 80 ILE HG12 1 81 ASP H . . 4.870 4.464 4.094 4.629 . 0 0 "[ . 1 . 2]" 1
865 1 21 ILE HA 1 21 ILE HG12 . . 4.200 3.539 3.519 3.545 . 0 0 "[ . 1 . 2]" 1
866 1 21 ILE HG12 1 26 LYS HA . . 4.910 4.486 4.049 4.656 . 0 0 "[ . 1 . 2]" 1
867 1 12 THR HB 1 21 ILE HG12 . . 4.820 4.179 3.944 4.323 . 0 0 "[ . 1 . 2]" 1
868 1 21 ILE HG12 1 26 LYS HE2 . . 5.500 4.922 4.509 5.489 . 0 0 "[ . 1 . 2]" 1
869 1 21 ILE HG12 1 26 LYS HE3 . . 5.500 4.412 3.558 5.500 0.000 8 0 "[ . 1 . 2]" 1
870 1 21 ILE HG12 1 21 ILE MG . . 3.160 2.059 2.033 2.074 . 0 0 "[ . 1 . 2]" 1
871 1 21 ILE H 1 21 ILE HG12 . . 4.370 4.286 4.250 4.385 0.015 14 0 "[ . 1 . 2]" 1
872 1 12 THR MG 1 21 ILE HG12 . . 5.030 4.774 4.606 4.898 . 0 0 "[ . 1 . 2]" 1
873 1 80 ILE H 1 80 ILE HG13 . . 5.070 4.553 4.343 5.141 0.071 17 0 "[ . 1 . 2]" 1
874 1 21 ILE HG13 1 26 LYS HA . . 3.960 2.804 2.354 2.969 . 0 0 "[ . 1 . 2]" 1
875 1 12 THR HB 1 21 ILE HG13 . . 5.450 4.793 4.545 4.969 . 0 0 "[ . 1 . 2]" 1
876 1 21 ILE HA 1 21 ILE HG13 . . 4.100 2.275 2.265 2.293 . 0 0 "[ . 1 . 2]" 1
877 1 41 LEU HG 1 43 ARG H . . 4.800 4.674 4.574 4.776 . 0 0 "[ . 1 . 2]" 1
878 1 37 LEU HA 1 41 LEU HG . . 5.070 4.835 4.719 5.068 . 0 0 "[ . 1 . 2]" 1
879 1 41 LEU HG 1 42 GLN H . . 4.290 1.998 1.946 2.120 . 0 0 "[ . 1 . 2]" 1
880 1 41 LEU HG 1 42 GLN HA . . 4.510 4.097 3.670 4.312 . 0 0 "[ . 1 . 2]" 1
881 1 7 THR HB 1 8 ILE HG12 . . 5.500 5.062 4.905 5.193 . 0 0 "[ . 1 . 2]" 1
882 1 36 LEU H 1 36 LEU HG . . 4.660 3.853 2.445 4.158 . 0 0 "[ . 1 . 2]" 1
883 1 27 ILE H 1 27 ILE HG12 . . 4.010 2.282 2.158 2.382 . 0 0 "[ . 1 . 2]" 1
884 1 36 LEU HG 1 69 ILE MD . . 4.950 3.265 2.345 4.256 . 0 0 "[ . 1 . 2]" 1
885 1 37 LEU H 1 37 LEU HG . . 4.900 4.035 2.428 4.276 . 0 0 "[ . 1 . 2]" 1
886 1 40 LEU MD1 1 98 VAL HA . . 4.230 3.379 1.937 4.261 0.031 14 0 "[ . 1 . 2]" 1
887 1 48 LEU HA 1 48 LEU MD1 . . 4.340 4.079 3.978 4.137 . 0 0 "[ . 1 . 2]" 1
888 1 48 LEU H 1 48 LEU MD1 . . 3.790 3.722 3.678 3.780 . 0 0 "[ . 1 . 2]" 1
889 1 88 LEU HB2 1 88 LEU MD1 . . 3.390 2.234 2.034 2.537 . 0 0 "[ . 1 . 2]" 1
890 1 42 GLN H 1 48 LEU MD1 . . 5.500 5.297 4.936 5.543 0.043 11 0 "[ . 1 . 2]" 1
891 1 40 LEU H 1 40 LEU MD2 . . 4.320 3.839 2.148 4.230 . 0 0 "[ . 1 . 2]" 1
892 1 40 LEU HA 1 40 LEU MD2 . . 3.880 2.773 1.953 3.807 . 0 0 "[ . 1 . 2]" 1
893 1 40 LEU MD2 1 98 VAL HA . . 4.230 3.093 2.110 4.263 0.033 13 0 "[ . 1 . 2]" 1
894 1 76 LEU MD1 1 77 ARG H . . 3.660 3.004 2.746 3.176 . 0 0 "[ . 1 . 2]" 1
895 1 76 LEU HA 1 76 LEU MD1 . . 3.560 3.293 3.232 3.335 . 0 0 "[ . 1 . 2]" 1
896 1 41 LEU HA 1 99 LEU MD1 . . 4.360 2.679 2.179 3.516 . 0 0 "[ . 1 . 2]" 1
897 1 41 LEU MD1 1 42 GLN HB2 . . 4.420 2.747 2.518 3.099 . 0 0 "[ . 1 . 2]" 1
898 1 38 GLU HG2 1 41 LEU MD2 . . 5.500 4.581 3.075 5.503 0.003 5 0 "[ . 1 . 2]" 1
899 1 38 GLU HG3 1 41 LEU MD2 . . 5.500 4.901 4.569 5.118 . 0 0 "[ . 1 . 2]" 1
900 1 37 LEU HA 1 41 LEU MD2 . . 3.830 3.774 3.584 3.863 0.033 1 0 "[ . 1 . 2]" 1
901 1 52 LEU H 1 52 LEU MD1 . . 5.000 4.089 3.869 4.205 . 0 0 "[ . 1 . 2]" 1
902 1 52 LEU H 1 52 LEU MD2 . . 5.000 4.210 4.060 4.267 . 0 0 "[ . 1 . 2]" 1
903 1 39 LEU H 1 39 LEU MD1 . . 4.430 4.046 3.621 4.302 . 0 0 "[ . 1 . 2]" 1
904 1 72 ALA HA 1 76 LEU MD2 . . 4.500 4.352 4.247 4.501 0.001 19 0 "[ . 1 . 2]" 1
905 1 74 ARG H 1 76 LEU MD2 . . 4.850 4.727 4.685 4.777 . 0 0 "[ . 1 . 2]" 1
906 1 43 ARG HB3 1 48 LEU MD2 . . 4.150 2.072 1.872 2.464 . 0 0 "[ . 1 . 2]" 1
907 1 46 GLU HG3 1 48 LEU MD2 . . 3.210 2.665 1.974 3.107 . 0 0 "[ . 1 . 2]" 1
908 1 88 LEU HB2 1 88 LEU MD2 . . 3.390 2.728 2.204 3.187 . 0 0 "[ . 1 . 2]" 1
909 1 48 LEU HA 1 48 LEU MD2 . . 3.500 3.043 2.286 3.437 . 0 0 "[ . 1 . 2]" 1
910 1 28 HIS HA 1 29 LEU MD1 . . 5.500 4.287 3.445 5.252 . 0 0 "[ . 1 . 2]" 1
911 1 43 ARG HA 1 48 LEU MD2 . . 4.960 4.086 3.948 4.355 . 0 0 "[ . 1 . 2]" 1
912 1 40 LEU HA 1 48 LEU MD2 . . 4.460 3.350 2.656 4.488 0.028 19 0 "[ . 1 . 2]" 1
913 1 37 LEU H 1 37 LEU MD2 . . 4.180 2.931 2.117 4.139 . 0 0 "[ . 1 . 2]" 1
914 1 71 VAL H 1 71 VAL MG2 . . 2.910 2.261 2.078 2.374 . 0 0 "[ . 1 . 2]" 1
915 1 35 VAL HA 1 57 VAL MG1 . . 4.480 4.303 4.255 4.394 . 0 0 "[ . 1 . 2]" 1
916 1 48 LEU H 1 48 LEU MD2 . . 3.640 2.427 2.037 2.968 . 0 0 "[ . 1 . 2]" 1
917 1 71 VAL MG2 1 72 ALA H . . 3.950 3.913 3.864 3.950 0.000 3 0 "[ . 1 . 2]" 1
918 1 71 VAL HA 1 71 VAL MG2 . . 2.860 2.397 2.329 2.435 . 0 0 "[ . 1 . 2]" 1
919 1 56 LEU HA 1 56 LEU MD1 . . 3.810 2.905 2.380 3.523 . 0 0 "[ . 1 . 2]" 1
920 1 56 LEU HA 1 56 LEU MD2 . . 3.810 2.870 2.007 3.549 . 0 0 "[ . 1 . 2]" 1
921 1 36 LEU H 1 57 VAL MG1 . . 4.430 4.206 3.820 4.440 0.010 16 0 "[ . 1 . 2]" 1
922 1 35 VAL H 1 57 VAL MG1 . . 3.930 3.765 3.645 3.884 . 0 0 "[ . 1 . 2]" 1
923 1 32 LYS HA 1 57 VAL MG1 . . 3.170 2.034 1.912 2.388 . 0 0 "[ . 1 . 2]" 1
924 1 56 LEU HB3 1 57 VAL MG1 . . 3.940 3.867 3.805 3.973 0.033 16 0 "[ . 1 . 2]" 1
925 1 57 VAL MG1 1 58 TRP H . . 3.950 3.759 3.747 3.771 . 0 0 "[ . 1 . 2]" 1
926 1 35 VAL MG2 1 36 LEU H . . 4.240 4.021 3.876 4.127 . 0 0 "[ . 1 . 2]" 1
927 1 35 VAL HA 1 35 VAL MG2 . . 3.270 2.159 2.050 2.260 . 0 0 "[ . 1 . 2]" 1
928 1 35 VAL MG2 1 57 VAL MG2 . . 3.590 3.363 3.302 3.478 . 0 0 "[ . 1 . 2]" 1
929 1 13 VAL MG1 1 20 VAL HA . . 4.230 4.096 3.765 4.243 0.013 20 0 "[ . 1 . 2]" 1
930 1 13 VAL MG1 1 20 VAL MG1 . . 2.870 2.828 2.561 2.884 0.014 8 0 "[ . 1 . 2]" 1
931 1 13 VAL HA 1 13 VAL MG1 . . 3.540 2.331 2.261 2.419 . 0 0 "[ . 1 . 2]" 1
932 1 5 VAL HA 1 13 VAL MG1 . . 5.290 4.909 4.472 5.133 . 0 0 "[ . 1 . 2]" 1
933 1 13 VAL MG1 1 14 ASP HB2 . . 5.070 4.274 4.131 4.414 . 0 0 "[ . 1 . 2]" 1
934 1 4 THR HA 1 4 THR MG . . 2.470 2.348 2.159 2.452 . 0 0 "[ . 1 . 2]" 1
935 1 4 THR MG 1 16 VAL MG1 . . 3.410 2.172 1.848 2.741 . 0 0 "[ . 1 . 2]" 1
936 1 91 THR MG 1 92 VAL HB . . 4.370 4.246 3.957 4.375 0.005 16 0 "[ . 1 . 2]" 1
937 1 35 VAL MG2 1 57 VAL H . . 4.510 4.417 4.376 4.451 . 0 0 "[ . 1 . 2]" 1
938 1 13 VAL MG1 1 14 ASP H . . 3.750 2.147 1.922 2.395 . 0 0 "[ . 1 . 2]" 1
939 1 73 VAL H 1 73 VAL MG2 . . 3.950 3.147 2.172 3.779 . 0 0 "[ . 1 . 2]" 1
940 1 70 ASP HA 1 73 VAL MG2 . . 4.650 3.897 2.684 4.656 0.006 7 0 "[ . 1 . 2]" 1
941 1 73 VAL HA 1 73 VAL MG2 . . 3.290 2.354 2.272 2.420 . 0 0 "[ . 1 . 2]" 1
942 1 92 VAL HB 1 95 ALA MB . . 3.220 1.934 1.880 2.098 . 0 0 "[ . 1 . 2]" 1
943 1 66 THR MG 1 68 VAL HB . . 3.660 2.550 2.187 3.616 . 0 0 "[ . 1 . 2]" 1
944 1 91 THR MG 1 92 VAL H . . 3.130 2.579 2.139 2.864 . 0 0 "[ . 1 . 2]" 1
945 1 7 THR MG 1 8 ILE HG12 . . 4.280 4.000 3.921 4.177 . 0 0 "[ . 1 . 2]" 1
946 1 7 THR MG 1 12 THR HA . . 3.630 2.700 2.533 2.815 . 0 0 "[ . 1 . 2]" 1
947 1 35 VAL MG2 1 56 LEU HB3 . . 3.280 2.785 2.660 2.958 . 0 0 "[ . 1 . 2]" 1
948 1 14 ASP HB3 1 19 THR MG . . 3.420 3.430 3.417 3.439 0.019 9 0 "[ . 1 . 2]" 1
949 1 14 ASP H 1 20 VAL MG2 . . 5.500 5.483 5.352 5.537 0.037 15 0 "[ . 1 . 2]" 1
950 1 47 VAL MG1 1 92 VAL H . . 4.180 3.204 2.757 4.224 0.044 5 0 "[ . 1 . 2]" 1
951 1 30 THR H 1 30 THR MG . . 3.210 2.095 2.041 2.149 . 0 0 "[ . 1 . 2]" 1
952 1 30 THR MG 1 34 TYR H . . 3.600 3.392 3.207 3.536 . 0 0 "[ . 1 . 2]" 1
953 1 65 ASP HA 1 66 THR MG . . 3.990 3.596 3.337 3.784 . 0 0 "[ . 1 . 2]" 1
954 1 66 THR MG 1 68 VAL MG1 . . 4.330 3.387 3.079 3.875 . 0 0 "[ . 1 . 2]" 1
955 1 35 VAL MG1 1 56 LEU HB2 . . 3.990 2.557 2.209 2.737 . 0 0 "[ . 1 . 2]" 1
956 1 7 THR MG 1 10 ASP HA . . 4.960 4.953 4.921 4.967 0.007 14 0 "[ . 1 . 2]" 1
957 1 7 THR MG 1 11 MET H . . 3.940 3.671 3.622 3.731 . 0 0 "[ . 1 . 2]" 1
958 1 7 THR HA 1 7 THR MG . . 3.240 2.024 1.995 2.071 . 0 0 "[ . 1 . 2]" 1
959 1 7 THR MG 1 12 THR HB . . 4.460 4.472 4.457 4.484 0.024 3 0 "[ . 1 . 2]" 1
960 1 19 THR MG 1 20 VAL H . . 3.960 3.800 3.764 3.843 . 0 0 "[ . 1 . 2]" 1
961 1 12 THR HA 1 12 THR MG . . 3.260 2.235 2.081 2.384 . 0 0 "[ . 1 . 2]" 1
962 1 35 VAL MG2 1 57 VAL MG1 . . 3.180 1.851 1.811 1.944 . 0 0 "[ . 1 . 2]" 1
963 1 20 VAL MG2 1 27 ILE HB . . 3.860 2.375 1.978 2.706 . 0 0 "[ . 1 . 2]" 1
964 1 5 VAL HA 1 5 VAL MG2 . . 3.290 2.351 2.291 2.389 . 0 0 "[ . 1 . 2]" 1
965 1 47 VAL MG1 1 92 VAL MG2 . . 3.050 2.774 2.032 3.049 . 0 0 "[ . 1 . 2]" 1
966 1 47 VAL MG2 1 92 VAL H . . 4.180 3.335 2.661 3.703 . 0 0 "[ . 1 . 2]" 1
967 1 71 VAL H 1 71 VAL MG1 . . 3.940 3.767 3.762 3.771 . 0 0 "[ . 1 . 2]" 1
968 1 13 VAL MG2 1 41 LEU HA . . 4.520 4.375 3.973 4.562 0.042 19 0 "[ . 1 . 2]" 1
969 1 20 VAL HA 1 20 VAL MG1 . . 3.610 2.240 2.201 2.268 . 0 0 "[ . 1 . 2]" 1
970 1 47 VAL MG2 1 48 LEU H . . 4.380 3.752 2.184 4.182 . 0 0 "[ . 1 . 2]" 1
971 1 73 VAL H 1 73 VAL MG1 . . 3.950 2.658 1.901 3.784 . 0 0 "[ . 1 . 2]" 1
972 1 70 ASP HA 1 73 VAL MG1 . . 4.650 3.103 1.976 4.661 0.011 10 0 "[ . 1 . 2]" 1
973 1 57 VAL MG2 1 59 ASN H . . 4.080 3.877 3.795 3.904 . 0 0 "[ . 1 . 2]" 1
974 1 57 VAL H 1 57 VAL MG2 . . 3.920 1.928 1.893 2.007 . 0 0 "[ . 1 . 2]" 1
975 1 55 SER H 1 57 VAL MG2 . . 4.350 4.024 3.886 4.112 . 0 0 "[ . 1 . 2]" 1
976 1 57 VAL HA 1 57 VAL MG2 . . 3.120 3.084 3.064 3.093 . 0 0 "[ . 1 . 2]" 1
977 1 35 VAL MG1 1 57 VAL MG2 . . 3.580 1.970 1.917 2.115 . 0 0 "[ . 1 . 2]" 1
978 1 53 ILE MG 1 57 VAL MG2 . . 3.290 2.930 2.682 3.107 . 0 0 "[ . 1 . 2]" 1
979 1 4 THR HA 1 16 VAL MG2 . . 4.860 3.826 3.570 4.036 . 0 0 "[ . 1 . 2]" 1
980 1 71 VAL HA 1 71 VAL MG1 . . 2.970 2.340 2.307 2.395 . 0 0 "[ . 1 . 2]" 1
981 1 5 VAL HA 1 5 VAL MG1 . . 3.290 2.938 2.288 3.201 . 0 0 "[ . 1 . 2]" 1
982 1 15 MET HG2 1 16 VAL MG2 . . 4.270 3.691 3.342 4.268 . 0 0 "[ . 1 . 2]" 1
983 1 6 CYS HB2 1 13 VAL MG2 . . 4.770 4.220 3.776 4.745 . 0 0 "[ . 1 . 2]" 1
984 1 6 CYS HB3 1 13 VAL MG2 . . 4.770 4.195 3.399 4.719 . 0 0 "[ . 1 . 2]" 1
985 1 11 MET HG2 1 20 VAL MG1 . . 4.970 3.273 2.998 3.452 . 0 0 "[ . 1 . 2]" 1
986 1 91 THR HA 1 92 VAL MG2 . . 4.520 3.649 3.499 3.841 . 0 0 "[ . 1 . 2]" 1
987 1 45 GLY H 1 98 VAL MG2 . . 3.660 2.767 2.550 2.954 . 0 0 "[ . 1 . 2]" 1
988 1 44 THR H 1 98 VAL MG2 . . 5.500 5.506 5.436 5.545 0.045 5 0 "[ . 1 . 2]" 1
989 1 98 VAL HA 1 98 VAL MG2 . . 2.710 2.159 2.119 2.241 . 0 0 "[ . 1 . 2]" 1
990 1 68 VAL H 1 68 VAL MG1 . . 3.820 2.429 2.022 3.732 . 0 0 "[ . 1 . 2]" 1
991 1 68 VAL HA 1 68 VAL MG1 . . 3.300 3.062 2.520 3.203 . 0 0 "[ . 1 . 2]" 1
992 1 47 VAL MG2 1 96 GLY H . . 4.610 3.831 2.199 4.425 . 0 0 "[ . 1 . 2]" 1
993 1 73 VAL MG1 1 74 ARG H . . 3.840 2.753 1.977 3.747 . 0 0 "[ . 1 . 2]" 1
994 1 73 VAL HA 1 73 VAL MG1 . . 3.290 2.854 2.183 3.204 . 0 0 "[ . 1 . 2]" 1
995 1 71 VAL MG1 1 75 ARG HD3 . . 4.000 3.948 3.852 4.015 0.015 4 0 "[ . 1 . 2]" 1
996 1 15 MET HG3 1 16 VAL MG2 . . 4.270 3.488 2.874 3.866 . 0 0 "[ . 1 . 2]" 1
997 1 47 VAL MG2 1 92 VAL MG2 . . 3.050 2.082 1.859 2.850 . 0 0 "[ . 1 . 2]" 1
998 1 68 VAL MG1 1 69 ILE H . . 4.220 2.415 1.985 3.348 . 0 0 "[ . 1 . 2]" 1
999 1 44 THR HA 1 98 VAL MG2 . . 4.060 3.416 3.325 3.520 . 0 0 "[ . 1 . 2]" 1
1000 1 68 VAL MG1 1 69 ILE HA . . 5.500 3.300 3.138 3.455 . 0 0 "[ . 1 . 2]" 1
1001 1 66 THR MG 1 68 VAL MG2 . . 4.330 3.080 1.753 3.537 . 0 0 "[ . 1 . 2]" 1
1002 1 47 VAL HA 1 92 VAL MG2 . . 4.800 4.693 4.163 4.813 0.013 19 0 "[ . 1 . 2]" 1
1003 1 92 VAL HA 1 92 VAL MG2 . . 3.450 2.370 2.288 2.439 . 0 0 "[ . 1 . 2]" 1
1004 1 68 VAL MG2 1 69 ILE H . . 4.220 3.870 3.671 4.142 . 0 0 "[ . 1 . 2]" 1
1005 1 68 VAL HA 1 68 VAL MG2 . . 3.300 2.241 2.092 2.353 . 0 0 "[ . 1 . 2]" 1
1006 1 68 VAL MG2 1 69 ILE HA . . 5.500 4.109 3.581 5.427 . 0 0 "[ . 1 . 2]" 1
1007 1 68 VAL MG2 1 71 VAL HB . . 5.440 3.741 3.415 4.250 . 0 0 "[ . 1 . 2]" 1
1008 1 53 ILE MD 1 53 ILE MG . . 2.600 2.281 2.108 2.594 . 0 0 "[ . 1 . 2]" 1
1009 1 53 ILE H 1 53 ILE MG . . 3.950 3.764 3.761 3.766 . 0 0 "[ . 1 . 2]" 1
1010 1 53 ILE HA 1 53 ILE MG . . 3.420 2.333 2.276 2.393 . 0 0 "[ . 1 . 2]" 1
1011 1 53 ILE MG 1 69 ILE MD . . 3.220 1.988 1.794 2.580 . 0 0 "[ . 1 . 2]" 1
1012 1 47 VAL HA 1 98 VAL MG1 . . 4.290 3.646 3.551 3.760 . 0 0 "[ . 1 . 2]" 1
1013 1 97 TYR HA 1 98 VAL MG1 . . 4.330 3.810 3.674 3.927 . 0 0 "[ . 1 . 2]" 1
1014 1 72 ALA MB 1 75 ARG H . . 5.180 4.754 4.700 4.789 . 0 0 "[ . 1 . 2]" 1
1015 1 72 ALA MB 1 76 LEU H . . 5.500 4.674 4.632 4.716 . 0 0 "[ . 1 . 2]" 1
1016 1 72 ALA MB 1 73 VAL H . . 3.270 2.728 2.621 2.790 . 0 0 "[ . 1 . 2]" 1
1017 1 69 ILE HA 1 72 ALA MB . . 3.620 2.556 2.413 2.812 . 0 0 "[ . 1 . 2]" 1
1018 1 71 VAL MG1 1 72 ALA MB . . 4.470 4.216 4.092 4.290 . 0 0 "[ . 1 . 2]" 1
1019 1 69 ILE MD 1 72 ALA MB . . 3.780 3.558 3.433 3.796 0.016 19 0 "[ . 1 . 2]" 1
1020 1 36 LEU HA 1 72 ALA MB . . 5.500 5.469 5.250 5.555 0.055 19 0 "[ . 1 . 2]" 1
1021 1 44 THR HA 1 44 THR MG . . 3.590 3.204 3.201 3.207 . 0 0 "[ . 1 . 2]" 1
1022 1 69 ILE HA 1 69 ILE MG . . 3.410 2.380 2.330 2.405 . 0 0 "[ . 1 . 2]" 1
1023 1 69 ILE MD 1 69 ILE MG . . 2.910 1.990 1.914 2.120 . 0 0 "[ . 1 . 2]" 1
1024 1 69 ILE MG 1 72 ALA MB . . 4.190 3.737 3.588 4.029 . 0 0 "[ . 1 . 2]" 1
1025 1 69 ILE MG 1 71 VAL H . . 5.060 4.809 4.695 4.969 . 0 0 "[ . 1 . 2]" 1
1026 1 69 ILE H 1 69 ILE MG . . 3.970 3.766 3.760 3.773 . 0 0 "[ . 1 . 2]" 1
1027 1 69 ILE MG 1 70 ASP HA . . 4.710 3.344 3.187 3.639 . 0 0 "[ . 1 . 2]" 1
1028 1 50 ARG HA 1 69 ILE MG . . 4.510 3.198 2.961 3.576 . 0 0 "[ . 1 . 2]" 1
1029 1 21 ILE MG 1 23 SER H . . 4.370 3.755 3.540 4.116 . 0 0 "[ . 1 . 2]" 1
1030 1 21 ILE HA 1 21 ILE MG . . 3.310 2.406 2.368 2.433 . 0 0 "[ . 1 . 2]" 1
1031 1 21 ILE MG 1 26 LYS HA . . 3.770 3.655 3.494 3.776 0.006 2 0 "[ . 1 . 2]" 1
1032 1 8 ILE HA 1 9 ALA MB . . 4.580 4.431 4.393 4.467 . 0 0 "[ . 1 . 2]" 1
1033 1 9 ALA MB 1 101 ILE HB . . 4.200 2.814 2.098 3.361 . 0 0 "[ . 1 . 2]" 1
1034 1 21 ILE MG 1 24 GLY HA3 . . 3.490 3.326 3.292 3.365 . 0 0 "[ . 1 . 2]" 1
1035 1 8 ILE HA 1 8 ILE MG . . 3.620 2.128 2.091 2.137 . 0 0 "[ . 1 . 2]" 1
1036 1 8 ILE MG 1 101 ILE MG . . 3.650 1.949 1.849 2.207 . 0 0 "[ . 1 . 2]" 1
1037 1 8 ILE MG 1 101 ILE MD . . 4.230 2.964 2.252 3.499 . 0 0 "[ . 1 . 2]" 1
1038 1 53 ILE MD 1 54 SER H . . 4.330 4.178 3.803 4.347 0.017 14 0 "[ . 1 . 2]" 1
1039 1 53 ILE HA 1 53 ILE MD . . 4.080 3.889 3.881 3.894 . 0 0 "[ . 1 . 2]" 1
1040 1 53 ILE MD 1 97 TYR HB3 . . 4.360 3.635 2.999 4.231 . 0 0 "[ . 1 . 2]" 1
1041 1 50 ARG HA 1 53 ILE MD . . 3.770 2.257 1.874 2.801 . 0 0 "[ . 1 . 2]" 1
1042 1 53 ILE MD 1 97 TYR HB2 . . 4.360 3.770 3.055 4.437 0.077 20 0 "[ . 1 . 2]" 1
1043 1 8 ILE HA 1 8 ILE MD . . 3.280 2.859 2.801 2.893 . 0 0 "[ . 1 . 2]" 1
1044 1 8 ILE HB 1 8 ILE MD . . 3.240 3.207 3.205 3.209 . 0 0 "[ . 1 . 2]" 1
1045 1 8 ILE MD 1 8 ILE MG . . 3.810 1.899 1.880 1.953 . 0 0 "[ . 1 . 2]" 1
1046 1 49 PRO HA 1 53 ILE MD . . 4.900 4.807 4.240 4.944 0.044 20 0 "[ . 1 . 2]" 1
1047 1 7 THR H 1 8 ILE MD . . 4.200 3.955 3.798 4.034 . 0 0 "[ . 1 . 2]" 1
1048 1 20 VAL HA 1 21 ILE MD . . 4.030 3.183 3.131 3.251 . 0 0 "[ . 1 . 2]" 1
1049 1 12 THR HB 1 21 ILE MD . . 4.000 2.748 2.216 3.113 . 0 0 "[ . 1 . 2]" 1
1050 1 20 VAL HB 1 21 ILE MD . . 5.500 4.860 4.760 4.916 . 0 0 "[ . 1 . 2]" 1
1051 1 21 ILE MD 1 26 LYS HA . . 3.920 3.829 3.482 3.927 0.007 20 0 "[ . 1 . 2]" 1
1052 1 21 ILE HA 1 21 ILE MD . . 3.600 3.158 3.099 3.235 . 0 0 "[ . 1 . 2]" 1
1053 1 21 ILE MD 1 26 LYS HB2 . . 3.580 3.528 3.010 3.606 0.026 16 0 "[ . 1 . 2]" 1
1054 1 12 THR H 1 21 ILE MD . . 4.400 4.077 3.880 4.189 . 0 0 "[ . 1 . 2]" 1
1055 1 21 ILE H 1 21 ILE MD . . 4.310 2.193 2.106 2.410 . 0 0 "[ . 1 . 2]" 1
1056 1 56 LEU H 1 69 ILE MD . . 5.450 5.066 4.812 5.221 . 0 0 "[ . 1 . 2]" 1
1057 1 57 VAL H 1 69 ILE MD . . 5.500 4.996 4.752 5.432 . 0 0 "[ . 1 . 2]" 1
1058 1 53 ILE H 1 69 ILE MD . . 4.780 4.560 4.118 4.783 0.003 2 0 "[ . 1 . 2]" 1
1059 1 69 ILE H 1 69 ILE MD . . 3.490 3.184 2.897 3.333 . 0 0 "[ . 1 . 2]" 1
1060 1 69 ILE HA 1 69 ILE MD . . 3.430 2.004 1.949 2.104 . 0 0 "[ . 1 . 2]" 1
1061 1 69 ILE HB 1 69 ILE MD . . 3.470 3.219 3.215 3.230 . 0 0 "[ . 1 . 2]" 1
1062 1 22 ARG H 1 27 ILE MD . . 4.080 3.693 3.287 3.911 . 0 0 "[ . 1 . 2]" 1
1063 1 88 LEU H 1 89 ILE MD . . 4.850 4.400 3.945 4.852 0.002 17 0 "[ . 1 . 2]" 1
1064 1 77 ARG HA 1 89 ILE MD . . 4.440 4.212 3.918 4.444 0.004 9 0 "[ . 1 . 2]" 1
1065 1 26 LYS HA 1 27 ILE MD . . 4.570 4.468 4.281 4.604 0.034 4 0 "[ . 1 . 2]" 1
1066 1 27 ILE HA 1 27 ILE MD . . 3.100 2.045 1.959 2.111 . 0 0 "[ . 1 . 2]" 1
1067 1 27 ILE MD 1 84 PHE HB2 . . 4.310 4.310 4.004 4.365 0.055 17 0 "[ . 1 . 2]" 1
1068 1 80 ILE H 1 80 ILE MD . . 4.570 4.223 3.816 4.376 . 0 0 "[ . 1 . 2]" 1
1069 1 80 ILE MD 1 84 PHE HA . . 4.980 4.621 3.995 4.909 . 0 0 "[ . 1 . 2]" 1
1070 1 80 ILE HA 1 80 ILE MD . . 3.600 2.485 2.029 3.571 . 0 0 "[ . 1 . 2]" 1
1071 1 36 LEU HA 1 69 ILE MD . . 5.050 4.610 4.096 5.069 0.019 15 0 "[ . 1 . 2]" 1
1072 1 50 ARG HA 1 69 ILE MD . . 5.500 4.520 3.557 5.036 . 0 0 "[ . 1 . 2]" 1
1073 1 77 ARG H 1 89 ILE MD . . 4.060 4.015 3.888 4.106 0.046 11 0 "[ . 1 . 2]" 1
1074 1 89 ILE HA 1 89 ILE MD . . 4.040 3.856 3.805 3.885 . 0 0 "[ . 1 . 2]" 1
1075 1 4 THR HA 1 5 VAL QG . . 4.610 4.309 4.083 4.512 . 0 0 "[ . 1 . 2]" 1
1076 1 5 VAL H 1 5 VAL QG . . 3.190 2.585 2.300 2.996 . 0 0 "[ . 1 . 2]" 1
1077 1 5 VAL HA 1 6 CYS QB . . 4.430 4.161 3.948 4.347 . 0 0 "[ . 1 . 2]" 1
1078 1 5 VAL QG 1 6 CYS H . . 3.350 2.597 2.272 3.092 . 0 0 "[ . 1 . 2]" 1
1079 1 5 VAL QG 1 6 CYS HA . . 4.240 3.554 3.352 3.975 . 0 0 "[ . 1 . 2]" 1
1080 1 5 VAL QG 1 7 THR H . . 4.930 3.772 3.518 4.037 . 0 0 "[ . 1 . 2]" 1
1081 1 5 VAL QG 1 12 THR HA . . 4.530 3.774 3.647 3.936 . 0 0 "[ . 1 . 2]" 1
1082 1 5 VAL QG 1 12 THR HB . . 4.680 4.227 4.030 4.528 . 0 0 "[ . 1 . 2]" 1
1083 1 5 VAL QG 1 12 THR MG . . 2.930 2.023 1.832 2.264 . 0 0 "[ . 1 . 2]" 1
1084 1 6 CYS H 1 6 CYS QB . . 3.260 2.374 2.251 2.476 . 0 0 "[ . 1 . 2]" 1
1085 1 6 CYS QB 1 7 THR H . . 3.730 3.484 3.267 3.696 . 0 0 "[ . 1 . 2]" 1
1086 1 6 CYS QB 1 13 VAL H . . 4.470 3.879 3.536 4.100 . 0 0 "[ . 1 . 2]" 1
1087 1 6 CYS QB 1 13 VAL HB . . 3.370 2.601 2.262 2.806 . 0 0 "[ . 1 . 2]" 1
1088 1 6 CYS QB 1 13 VAL MG1 . . 3.270 3.243 2.986 3.286 0.016 12 0 "[ . 1 . 2]" 1
1089 1 6 CYS QB 1 13 VAL MG2 . . 4.000 3.697 3.275 3.952 . 0 0 "[ . 1 . 2]" 1
1090 1 6 CYS QB 1 14 ASP HA . . 5.140 4.940 4.740 5.140 0.000 6 0 "[ . 1 . 2]" 1
1091 1 8 ILE H 1 11 MET QG . . 5.340 5.308 5.046 5.383 0.043 19 0 "[ . 1 . 2]" 1
1092 1 8 ILE HA 1 88 LEU QD . . 5.350 4.803 4.506 5.004 . 0 0 "[ . 1 . 2]" 1
1093 1 8 ILE MG 1 88 LEU QD . . 3.100 2.498 2.206 2.761 . 0 0 "[ . 1 . 2]" 1
1094 1 8 ILE HG12 1 11 MET QG . . 4.530 3.969 3.724 4.033 . 0 0 "[ . 1 . 2]" 1
1095 1 8 ILE MD 1 11 MET QG . . 5.190 4.072 3.876 4.140 . 0 0 "[ . 1 . 2]" 1
1096 1 9 ALA H 1 88 LEU QD . . 4.250 3.460 2.912 3.796 . 0 0 "[ . 1 . 2]" 1
1097 1 9 ALA HA 1 101 ILE QG . . 5.340 4.660 3.627 5.108 . 0 0 "[ . 1 . 2]" 1
1098 1 9 ALA MB 1 10 ASP QB . . 4.680 3.498 3.154 3.652 . 0 0 "[ . 1 . 2]" 1
1099 1 9 ALA MB 1 88 LEU QD . . 3.460 2.911 2.173 3.369 . 0 0 "[ . 1 . 2]" 1
1100 1 9 ALA MB 1 101 ILE QG . . 3.920 3.521 2.517 3.944 0.024 4 0 "[ . 1 . 2]" 1
1101 1 10 ASP H 1 10 ASP QB . . 3.600 2.881 2.820 2.920 . 0 0 "[ . 1 . 2]" 1
1102 1 10 ASP QB 1 22 ARG HA . . 5.340 4.683 4.532 4.799 . 0 0 "[ . 1 . 2]" 1
1103 1 10 ASP QB 1 23 SER H . . 4.610 4.175 3.840 4.340 . 0 0 "[ . 1 . 2]" 1
1104 1 11 MET H 1 11 MET QG . . 4.680 4.257 4.242 4.266 . 0 0 "[ . 1 . 2]" 1
1105 1 11 MET HA 1 22 ARG QB . . 5.340 4.219 3.520 4.593 . 0 0 "[ . 1 . 2]" 1
1106 1 11 MET QG 1 12 THR H . . 3.760 2.010 1.900 2.240 . 0 0 "[ . 1 . 2]" 1
1107 1 11 MET QG 1 12 THR HA . . 5.010 4.225 3.874 4.408 . 0 0 "[ . 1 . 2]" 1
1108 1 11 MET QG 1 12 THR HB . . 4.610 4.416 4.271 4.543 . 0 0 "[ . 1 . 2]" 1
1109 1 11 MET QG 1 20 VAL HA . . 5.340 3.375 3.225 3.537 . 0 0 "[ . 1 . 2]" 1
1110 1 11 MET QG 1 20 VAL HB . . 3.800 2.848 2.579 3.107 . 0 0 "[ . 1 . 2]" 1
1111 1 11 MET QG 1 20 VAL MG1 . . 4.280 3.198 2.906 3.369 . 0 0 "[ . 1 . 2]" 1
1112 1 11 MET QG 1 21 ILE HA . . 4.550 3.989 3.886 4.185 . 0 0 "[ . 1 . 2]" 1
1113 1 11 MET QG 1 21 ILE MG . . 4.360 4.267 4.130 4.436 0.076 17 0 "[ . 1 . 2]" 1
1114 1 11 MET QG 1 21 ILE MD . . 5.140 4.585 4.405 4.726 . 0 0 "[ . 1 . 2]" 1
1115 1 11 MET QG 1 22 ARG H . . 4.620 3.418 3.220 3.678 . 0 0 "[ . 1 . 2]" 1
1116 1 11 MET QG 1 22 ARG QB . . 4.610 2.869 2.099 3.547 . 0 0 "[ . 1 . 2]" 1
1117 1 11 MET QG 1 23 SER H . . 4.740 3.924 3.690 4.505 . 0 0 "[ . 1 . 2]" 1
1118 1 11 MET QG 1 24 GLY H . . 5.340 5.141 5.000 5.347 0.007 17 0 "[ . 1 . 2]" 1
1119 1 11 MET QG 1 27 ILE H . . 5.340 5.144 4.888 5.346 0.006 11 0 "[ . 1 . 2]" 1
1120 1 13 VAL MG1 1 41 LEU QB . . 3.890 1.834 1.733 1.911 . 0 0 "[ . 1 . 2]" 1
1121 1 13 VAL MG1 1 99 LEU QD . . 4.800 3.891 3.406 4.303 . 0 0 "[ . 1 . 2]" 1
1122 1 13 VAL MG2 1 41 LEU QB . . 4.140 3.074 2.838 3.396 . 0 0 "[ . 1 . 2]" 1
1123 1 13 VAL MG2 1 99 LEU QD . . 4.910 3.473 3.067 3.955 . 0 0 "[ . 1 . 2]" 1
1124 1 14 ASP HB3 1 17 ARG QB . . 4.360 2.025 1.987 2.134 . 0 0 "[ . 1 . 2]" 1
1125 1 15 MET H 1 15 MET QG . . 3.700 2.250 2.197 2.367 . 0 0 "[ . 1 . 2]" 1
1126 1 15 MET QG 1 16 VAL MG1 . . 4.030 2.120 2.032 2.375 . 0 0 "[ . 1 . 2]" 1
1127 1 15 MET QG 1 16 VAL MG2 . . 3.440 3.110 2.831 3.302 . 0 0 "[ . 1 . 2]" 1
1128 1 16 VAL H 1 17 ARG QG . . 4.460 4.089 3.705 4.357 . 0 0 "[ . 1 . 2]" 1
1129 1 16 VAL H 1 18 ARG QD . . 4.980 4.131 3.772 4.503 . 0 0 "[ . 1 . 2]" 1
1130 1 16 VAL MG2 1 17 ARG QG . . 3.340 2.087 1.929 2.302 . 0 0 "[ . 1 . 2]" 1
1131 1 16 VAL MG2 1 17 ARG QD . . 4.180 3.783 3.376 3.954 . 0 0 "[ . 1 . 2]" 1
1132 1 17 ARG H 1 17 ARG QG . . 3.450 2.748 2.475 2.969 . 0 0 "[ . 1 . 2]" 1
1133 1 17 ARG H 1 18 ARG QD . . 4.120 3.560 3.410 3.744 . 0 0 "[ . 1 . 2]" 1
1134 1 17 ARG HA 1 17 ARG QD . . 4.710 3.681 2.338 4.195 . 0 0 "[ . 1 . 2]" 1
1135 1 17 ARG HA 1 18 ARG QD . . 4.220 3.475 2.808 4.269 0.049 1 0 "[ . 1 . 2]" 1
1136 1 17 ARG QB 1 18 ARG H . . 4.120 3.074 3.054 3.166 . 0 0 "[ . 1 . 2]" 1
1137 1 17 ARG QB 1 19 THR H . . 4.280 3.374 3.151 3.518 . 0 0 "[ . 1 . 2]" 1
1138 1 17 ARG QB 1 19 THR MG . . 3.940 2.018 1.931 2.145 . 0 0 "[ . 1 . 2]" 1
1139 1 17 ARG QG 1 19 THR MG . . 4.470 3.895 3.686 4.026 . 0 0 "[ . 1 . 2]" 1
1140 1 17 ARG QD 1 19 THR MG . . 3.660 3.410 3.104 3.659 . 0 0 "[ . 1 . 2]" 1
1141 1 18 ARG H 1 18 ARG QD . . 5.000 2.516 2.255 2.673 . 0 0 "[ . 1 . 2]" 1
1142 1 18 ARG QB 1 18 ARG QD . . 3.310 2.308 2.040 2.736 . 0 0 "[ . 1 . 2]" 1
1143 1 18 ARG QB 1 19 THR H . . 4.430 3.905 3.896 3.910 . 0 0 "[ . 1 . 2]" 1
1144 1 18 ARG QB 1 19 THR MG . . 4.720 3.628 3.496 3.719 . 0 0 "[ . 1 . 2]" 1
1145 1 19 THR HA 1 26 LYS QE . . 4.440 4.299 4.110 4.454 0.014 16 0 "[ . 1 . 2]" 1
1146 1 19 THR HB 1 26 LYS QE . . 4.430 2.180 1.996 2.529 . 0 0 "[ . 1 . 2]" 1
1147 1 19 THR MG 1 26 LYS QE . . 3.590 2.676 2.131 3.190 . 0 0 "[ . 1 . 2]" 1
1148 1 20 VAL HB 1 26 LYS QG . . 5.240 5.246 5.196 5.267 0.027 13 0 "[ . 1 . 2]" 1
1149 1 21 ILE HA 1 22 ARG QB . . 4.720 4.154 4.045 4.567 . 0 0 "[ . 1 . 2]" 1
1150 1 21 ILE MG 1 22 ARG QB . . 4.870 4.288 4.081 4.643 . 0 0 "[ . 1 . 2]" 1
1151 1 21 ILE MD 1 26 LYS QE . . 3.460 2.688 2.287 3.061 . 0 0 "[ . 1 . 2]" 1
1152 1 22 ARG H 1 22 ARG QB . . 3.550 2.376 2.248 2.871 . 0 0 "[ . 1 . 2]" 1
1153 1 22 ARG HA 1 23 SER QB . . 4.530 4.084 3.981 4.212 . 0 0 "[ . 1 . 2]" 1
1154 1 22 ARG QB 1 25 LYS H . . 4.750 3.729 3.459 4.641 . 0 0 "[ . 1 . 2]" 1
1155 1 23 SER H 1 23 SER QB . . 3.130 2.958 2.861 3.156 0.026 10 0 "[ . 1 . 2]" 1
1156 1 23 SER HA 1 25 LYS QD . . 5.010 4.400 4.215 5.034 0.024 14 0 "[ . 1 . 2]" 1
1157 1 23 SER QB 1 25 LYS H . . 4.010 3.814 3.395 4.005 . 0 0 "[ . 1 . 2]" 1
1158 1 23 SER QB 1 25 LYS QD . . 4.540 2.637 2.305 3.525 . 0 0 "[ . 1 . 2]" 1
1159 1 23 SER QB 1 25 LYS QE . . 4.540 3.114 2.116 3.737 . 0 0 "[ . 1 . 2]" 1
1160 1 24 GLY H 1 25 LYS QD . . 4.840 3.739 3.596 4.076 . 0 0 "[ . 1 . 2]" 1
1161 1 24 GLY HA3 1 25 LYS QG . . 4.640 4.232 3.949 4.396 . 0 0 "[ . 1 . 2]" 1
1162 1 25 LYS H 1 25 LYS QG . . 3.670 3.421 2.080 3.619 . 0 0 "[ . 1 . 2]" 1
1163 1 25 LYS H 1 25 LYS QD . . 4.170 2.553 2.419 2.769 . 0 0 "[ . 1 . 2]" 1
1164 1 25 LYS HA 1 25 LYS QG . . 3.640 2.430 2.291 3.322 . 0 0 "[ . 1 . 2]" 1
1165 1 25 LYS HA 1 25 LYS QD . . 4.110 3.351 2.534 3.578 . 0 0 "[ . 1 . 2]" 1
1166 1 25 LYS HB2 1 25 LYS QD . . 3.660 2.307 2.122 3.307 . 0 0 "[ . 1 . 2]" 1
1167 1 25 LYS QD 1 25 LYS QG . . 2.370 2.076 2.030 2.092 . 0 0 "[ . 1 . 2]" 1
1168 1 26 LYS H 1 26 LYS QG . . 4.150 3.971 3.941 4.005 . 0 0 "[ . 1 . 2]" 1
1169 1 26 LYS H 1 26 LYS QE . . 4.760 4.494 4.250 4.778 0.018 8 0 "[ . 1 . 2]" 1
1170 1 26 LYS HA 1 26 LYS QE . . 4.810 3.898 3.616 4.285 . 0 0 "[ . 1 . 2]" 1
1171 1 26 LYS HB2 1 26 LYS QE . . 2.640 2.181 1.978 2.413 . 0 0 "[ . 1 . 2]" 1
1172 1 26 LYS QE 1 26 LYS QG . . 3.300 2.307 2.136 2.653 . 0 0 "[ . 1 . 2]" 1
1173 1 26 LYS QG 1 27 ILE H . . 4.790 2.728 2.312 2.994 . 0 0 "[ . 1 . 2]" 1
1174 1 27 ILE HA 1 80 ILE QG . . 5.150 4.377 3.906 5.121 . 0 0 "[ . 1 . 2]" 1
1175 1 27 ILE HG13 1 80 ILE QG . . 4.370 4.068 3.349 4.385 0.015 1 0 "[ . 1 . 2]" 1
1176 1 27 ILE MD 1 80 ILE QG . . 4.060 2.351 1.906 3.029 . 0 0 "[ . 1 . 2]" 1
1177 1 28 HIS HA 1 29 LEU QD . . 4.400 3.628 2.710 4.260 . 0 0 "[ . 1 . 2]" 1
1178 1 28 HIS QB 1 29 LEU H . . 4.190 3.146 2.775 3.723 . 0 0 "[ . 1 . 2]" 1
1179 1 29 LEU H 1 29 LEU QD . . 4.090 2.727 2.061 3.694 . 0 0 "[ . 1 . 2]" 1
1180 1 29 LEU HA 1 29 LEU QD . . 3.590 2.949 1.957 3.360 . 0 0 "[ . 1 . 2]" 1
1181 1 29 LEU QB 1 30 THR H . . 4.380 2.077 1.920 2.409 . 0 0 "[ . 1 . 2]" 1
1182 1 29 LEU QB 1 30 THR MG . . 3.670 3.530 3.333 3.678 0.008 4 0 "[ . 1 . 2]" 1
1183 1 29 LEU QB 1 34 TYR H . . 4.750 3.475 3.172 3.724 . 0 0 "[ . 1 . 2]" 1
1184 1 29 LEU QD 1 30 THR H . . 3.640 3.208 2.950 3.534 . 0 0 "[ . 1 . 2]" 1
1185 1 29 LEU QD 1 30 THR HB . . 5.440 5.066 4.831 5.446 0.006 15 0 "[ . 1 . 2]" 1
1186 1 30 THR H 1 33 GLU QB . . 4.180 2.006 1.919 2.223 . 0 0 "[ . 1 . 2]" 1
1187 1 30 THR H 1 34 TYR QB . . 5.340 4.518 4.266 4.961 . 0 0 "[ . 1 . 2]" 1
1188 1 30 THR MG 1 33 GLU QB . . 4.600 2.136 1.958 2.500 . 0 0 "[ . 1 . 2]" 1
1189 1 31 GLY QA 1 34 TYR H . . 5.270 3.519 3.417 3.628 . 0 0 "[ . 1 . 2]" 1
1190 1 32 LYS QB 1 35 VAL MG1 . . 5.200 5.175 4.976 5.252 0.052 12 0 "[ . 1 . 2]" 1
1191 1 32 LYS QB 1 36 LEU H . . 5.340 4.978 4.774 5.365 0.025 8 0 "[ . 1 . 2]" 1
1192 1 32 LYS QB 1 57 VAL MG1 . . 4.420 3.236 2.776 3.872 . 0 0 "[ . 1 . 2]" 1
1193 1 33 GLU H 1 33 GLU QB . . 3.630 2.343 2.207 2.514 . 0 0 "[ . 1 . 2]" 1
1194 1 33 GLU HA 1 36 LEU QB . . 3.780 2.773 2.580 3.009 . 0 0 "[ . 1 . 2]" 1
1195 1 33 GLU HA 1 36 LEU QD . . 4.490 3.201 2.610 3.768 . 0 0 "[ . 1 . 2]" 1
1196 1 33 GLU QB 1 34 TYR H . . 4.310 2.666 2.560 2.804 . 0 0 "[ . 1 . 2]" 1
1197 1 34 TYR H 1 37 LEU QD . . 5.320 4.730 4.248 5.084 . 0 0 "[ . 1 . 2]" 1
1198 1 34 TYR HA 1 37 LEU QB . . 5.080 2.727 2.458 3.132 . 0 0 "[ . 1 . 2]" 1
1199 1 34 TYR HA 1 37 LEU QD . . 4.160 3.764 3.249 4.093 . 0 0 "[ . 1 . 2]" 1
1200 1 34 TYR QB 1 35 VAL MG2 . . 4.420 3.522 3.394 3.720 . 0 0 "[ . 1 . 2]" 1
1201 1 35 VAL H 1 36 LEU QD . . 4.170 3.855 3.596 4.180 0.010 19 0 "[ . 1 . 2]" 1
1202 1 35 VAL HA 1 38 GLU QB . . 4.330 3.195 2.011 3.811 . 0 0 "[ . 1 . 2]" 1
1203 1 35 VAL HA 1 38 GLU QG . . 3.750 2.308 1.898 3.019 . 0 0 "[ . 1 . 2]" 1
1204 1 35 VAL HA 1 56 LEU QD . . 5.280 3.886 3.348 4.413 . 0 0 "[ . 1 . 2]" 1
1205 1 35 VAL MG1 1 56 LEU QD . . 3.460 2.646 2.098 3.055 . 0 0 "[ . 1 . 2]" 1
1206 1 35 VAL MG2 1 56 LEU QD . . 3.090 3.114 3.095 3.135 0.045 15 0 "[ . 1 . 2]" 1
1207 1 36 LEU H 1 36 LEU QB . . 2.970 2.176 2.080 2.477 . 0 0 "[ . 1 . 2]" 1
1208 1 36 LEU H 1 36 LEU QD . . 4.720 2.276 1.921 2.679 . 0 0 "[ . 1 . 2]" 1
1209 1 36 LEU H 1 37 LEU QD . . 4.020 3.988 3.892 4.080 0.060 10 0 "[ . 1 . 2]" 1
1210 1 36 LEU HA 1 36 LEU QD . . 3.010 2.400 1.892 2.762 . 0 0 "[ . 1 . 2]" 1
1211 1 36 LEU HA 1 37 LEU QD . . 5.110 4.440 4.275 4.622 . 0 0 "[ . 1 . 2]" 1
1212 1 36 LEU QB 1 37 LEU H . . 3.400 2.713 2.549 2.851 . 0 0 "[ . 1 . 2]" 1
1213 1 36 LEU QB 1 37 LEU QD . . 3.320 2.673 2.429 2.880 . 0 0 "[ . 1 . 2]" 1
1214 1 36 LEU QB 1 69 ILE HA . . 5.340 5.073 4.814 5.353 0.013 18 0 "[ . 1 . 2]" 1
1215 1 36 LEU HG 1 73 VAL QG . . 5.280 4.052 1.961 5.290 0.010 19 0 "[ . 1 . 2]" 1
1216 1 36 LEU QD 1 57 VAL MG2 . . 3.550 2.860 2.542 3.088 . 0 0 "[ . 1 . 2]" 1
1217 1 36 LEU QD 1 69 ILE HA . . 3.900 2.217 1.937 2.824 . 0 0 "[ . 1 . 2]" 1
1218 1 36 LEU QD 1 69 ILE MD . . 3.760 2.046 1.810 2.422 . 0 0 "[ . 1 . 2]" 1
1219 1 36 LEU QD 1 71 VAL H . . 5.440 4.901 4.551 5.455 0.015 13 0 "[ . 1 . 2]" 1
1220 1 36 LEU QD 1 72 ALA H . . 4.540 3.637 3.275 4.493 . 0 0 "[ . 1 . 2]" 1
1221 1 36 LEU QD 1 72 ALA MB . . 3.180 1.981 1.693 2.822 . 0 0 "[ . 1 . 2]" 1
1222 1 36 LEU QD 1 73 VAL H . . 4.330 3.045 2.546 3.808 . 0 0 "[ . 1 . 2]" 1
1223 1 36 LEU QD 1 73 VAL HA . . 4.500 3.544 2.947 4.314 . 0 0 "[ . 1 . 2]" 1
1224 1 36 LEU QD 1 73 VAL QG . . 3.290 2.530 1.729 3.279 . 0 0 "[ . 1 . 2]" 1
1225 1 37 LEU H 1 37 LEU QD . . 3.460 2.441 2.108 2.650 . 0 0 "[ . 1 . 2]" 1
1226 1 37 LEU H 1 40 LEU QD . . 5.230 4.743 4.391 5.227 . 0 0 "[ . 1 . 2]" 1
1227 1 37 LEU HA 1 37 LEU QD . . 3.710 2.108 1.889 2.720 . 0 0 "[ . 1 . 2]" 1
1228 1 37 LEU HA 1 40 LEU QD . . 3.700 3.137 2.745 3.747 0.047 19 0 "[ . 1 . 2]" 1
1229 1 37 LEU QB 1 41 LEU MD2 . . 2.970 2.551 2.406 2.750 . 0 0 "[ . 1 . 2]" 1
1230 1 37 LEU QD 1 38 GLU H . . 4.180 3.887 3.840 3.958 . 0 0 "[ . 1 . 2]" 1
1231 1 37 LEU QD 1 73 VAL HA . . 4.270 3.787 3.474 4.060 . 0 0 "[ . 1 . 2]" 1
1232 1 38 GLU H 1 38 GLU QG . . 3.660 2.630 2.349 3.047 . 0 0 "[ . 1 . 2]" 1
1233 1 38 GLU HA 1 38 GLU QG . . 3.630 2.991 2.083 3.451 . 0 0 "[ . 1 . 2]" 1
1234 1 38 GLU HA 1 39 LEU QD . . 5.440 5.089 4.341 5.455 0.015 20 0 "[ . 1 . 2]" 1
1235 1 38 GLU QB 1 39 LEU H . . 3.810 3.192 2.496 3.512 . 0 0 "[ . 1 . 2]" 1
1236 1 38 GLU QG 1 41 LEU MD2 . . 4.740 4.098 3.030 4.639 . 0 0 "[ . 1 . 2]" 1
1237 1 39 LEU H 1 39 LEU QD . . 3.860 3.205 2.526 3.513 . 0 0 "[ . 1 . 2]" 1
1238 1 39 LEU HA 1 39 LEU QD . . 3.010 1.996 1.869 2.157 . 0 0 "[ . 1 . 2]" 1
1239 1 39 LEU QD 1 42 GLN H . . 5.440 4.500 4.139 4.936 . 0 0 "[ . 1 . 2]" 1
1240 1 39 LEU QD 1 42 GLN HB2 . . 4.440 3.974 3.656 4.279 . 0 0 "[ . 1 . 2]" 1
1241 1 39 LEU QD 1 42 GLN QG . . 4.250 3.751 3.222 4.247 . 0 0 "[ . 1 . 2]" 1
1242 1 39 LEU QD 1 43 ARG H . . 4.860 3.996 3.341 4.615 . 0 0 "[ . 1 . 2]" 1
1243 1 39 LEU QD 1 43 ARG QD . . 4.180 3.288 2.249 4.185 0.005 3 0 "[ . 1 . 2]" 1
1244 1 40 LEU H 1 40 LEU QB . . 3.340 2.127 2.021 2.227 . 0 0 "[ . 1 . 2]" 1
1245 1 40 LEU H 1 40 LEU QD . . 3.790 3.285 2.140 3.630 . 0 0 "[ . 1 . 2]" 1
1246 1 40 LEU HA 1 40 LEU QD . . 2.860 2.076 1.935 2.428 . 0 0 "[ . 1 . 2]" 1
1247 1 40 LEU HA 1 99 LEU QD . . 4.600 3.377 2.880 3.626 . 0 0 "[ . 1 . 2]" 1
1248 1 40 LEU QB 1 41 LEU H . . 3.640 2.498 2.343 2.568 . 0 0 "[ . 1 . 2]" 1
1249 1 40 LEU QD 1 41 LEU H . . 4.690 3.953 3.830 4.039 . 0 0 "[ . 1 . 2]" 1
1250 1 40 LEU QD 1 97 TYR HA . . 5.010 4.457 4.013 4.834 . 0 0 "[ . 1 . 2]" 1
1251 1 40 LEU QD 1 97 TYR QB . . 4.400 2.994 2.470 3.776 . 0 0 "[ . 1 . 2]" 1
1252 1 40 LEU QD 1 98 VAL H . . 4.490 3.479 3.132 4.074 . 0 0 "[ . 1 . 2]" 1
1253 1 40 LEU QD 1 98 VAL HA . . 3.550 2.323 1.929 3.348 . 0 0 "[ . 1 . 2]" 1
1254 1 40 LEU QD 1 99 LEU HA . . 4.670 3.369 3.081 3.891 . 0 0 "[ . 1 . 2]" 1
1255 1 40 LEU QD 1 99 LEU QD . . 5.100 2.109 1.854 2.636 . 0 0 "[ . 1 . 2]" 1
1256 1 41 LEU H 1 41 LEU QB . . 3.150 2.516 2.334 2.617 . 0 0 "[ . 1 . 2]" 1
1257 1 41 LEU H 1 99 LEU QD . . 3.620 3.192 2.993 3.557 . 0 0 "[ . 1 . 2]" 1
1258 1 41 LEU HA 1 99 LEU QD . . 3.110 2.196 1.997 2.544 . 0 0 "[ . 1 . 2]" 1
1259 1 41 LEU QB 1 42 GLN H . . 3.820 3.359 3.221 3.457 . 0 0 "[ . 1 . 2]" 1
1260 1 41 LEU QB 1 99 LEU QD . . 4.430 2.919 2.613 3.316 . 0 0 "[ . 1 . 2]" 1
1261 1 42 GLN H 1 42 GLN QG . . 4.590 3.971 3.937 4.045 . 0 0 "[ . 1 . 2]" 1
1262 1 42 GLN H 1 99 LEU QD . . 4.970 4.543 4.336 4.760 . 0 0 "[ . 1 . 2]" 1
1263 1 42 GLN HA 1 42 GLN QG . . 3.540 2.537 2.397 3.117 . 0 0 "[ . 1 . 2]" 1
1264 1 42 GLN QG 1 43 ARG H . . 4.620 3.531 3.338 3.734 . 0 0 "[ . 1 . 2]" 1
1265 1 42 GLN QG 1 43 ARG HA . . 4.380 3.719 3.532 3.890 . 0 0 "[ . 1 . 2]" 1
1266 1 42 GLN QG 1 43 ARG QD . . 3.840 2.278 1.918 3.284 . 0 0 "[ . 1 . 2]" 1
1267 1 43 ARG H 1 43 ARG QD . . 3.950 3.142 2.616 3.956 0.006 3 0 "[ . 1 . 2]" 1
1268 1 43 ARG H 1 99 LEU QD . . 4.800 4.512 4.214 4.808 0.008 2 0 "[ . 1 . 2]" 1
1269 1 43 ARG HA 1 43 ARG QD . . 3.540 2.175 1.957 2.412 . 0 0 "[ . 1 . 2]" 1
1270 1 43 ARG QD 1 44 THR H . . 4.670 4.440 4.273 4.646 . 0 0 "[ . 1 . 2]" 1
1271 1 43 ARG QD 1 44 THR MG . . 5.340 5.343 5.280 5.376 0.036 18 0 "[ . 1 . 2]" 1
1272 1 44 THR H 1 99 LEU QD . . 4.000 3.590 3.385 3.846 . 0 0 "[ . 1 . 2]" 1
1273 1 44 THR HA 1 99 LEU QD . . 4.820 2.003 1.920 2.254 . 0 0 "[ . 1 . 2]" 1
1274 1 44 THR HB 1 99 LEU QD . . 3.870 2.266 2.012 2.519 . 0 0 "[ . 1 . 2]" 1
1275 1 44 THR MG 1 45 GLY QA . . 4.200 3.581 3.473 3.761 . 0 0 "[ . 1 . 2]" 1
1276 1 44 THR MG 1 99 LEU QD . . 3.660 3.406 3.311 3.509 . 0 0 "[ . 1 . 2]" 1
1277 1 45 GLY H 1 99 LEU QD . . 4.470 2.558 2.320 2.726 . 0 0 "[ . 1 . 2]" 1
1278 1 45 GLY QA 1 98 VAL MG2 . . 4.130 3.601 3.435 3.726 . 0 0 "[ . 1 . 2]" 1
1279 1 46 GLU H 1 99 LEU QD . . 4.510 4.283 4.144 4.512 0.002 10 0 "[ . 1 . 2]" 1
1280 1 46 GLU HA 1 47 VAL QG . . 4.060 3.454 3.296 3.794 . 0 0 "[ . 1 . 2]" 1
1281 1 47 VAL H 1 47 VAL QG . . 2.960 2.095 1.893 2.330 . 0 0 "[ . 1 . 2]" 1
1282 1 47 VAL QG 1 48 LEU H . . 3.390 2.452 2.173 2.731 . 0 0 "[ . 1 . 2]" 1
1283 1 47 VAL QG 1 49 PRO HA . . 4.880 4.457 4.273 4.574 . 0 0 "[ . 1 . 2]" 1
1284 1 47 VAL QG 1 92 VAL H . . 3.650 2.777 2.594 2.988 . 0 0 "[ . 1 . 2]" 1
1285 1 47 VAL QG 1 92 VAL HA . . 4.940 4.399 4.162 4.582 . 0 0 "[ . 1 . 2]" 1
1286 1 47 VAL QG 1 92 VAL HB . . 4.100 2.536 2.273 3.061 . 0 0 "[ . 1 . 2]" 1
1287 1 47 VAL QG 1 92 VAL MG2 . . 2.480 1.986 1.842 2.483 0.003 5 0 "[ . 1 . 2]" 1
1288 1 47 VAL QG 1 95 ALA H . . 4.380 4.054 3.974 4.177 . 0 0 "[ . 1 . 2]" 1
1289 1 47 VAL QG 1 95 ALA HA . . 4.670 3.575 3.421 3.758 . 0 0 "[ . 1 . 2]" 1
1290 1 47 VAL QG 1 95 ALA MB . . 2.980 1.761 1.625 1.979 . 0 0 "[ . 1 . 2]" 1
1291 1 47 VAL QG 1 96 GLY H . . 3.620 2.316 2.137 2.450 . 0 0 "[ . 1 . 2]" 1
1292 1 47 VAL QG 1 96 GLY HA2 . . 3.870 3.709 3.568 3.837 . 0 0 "[ . 1 . 2]" 1
1293 1 47 VAL QG 1 96 GLY HA3 . . 3.720 2.712 2.562 2.877 . 0 0 "[ . 1 . 2]" 1
1294 1 47 VAL QG 1 97 TYR H . . 3.570 2.009 1.884 2.240 . 0 0 "[ . 1 . 2]" 1
1295 1 47 VAL QG 1 98 VAL HA . . 4.030 3.845 3.738 4.035 0.005 20 0 "[ . 1 . 2]" 1
1296 1 47 VAL QG 1 98 VAL MG2 . . 4.040 2.921 2.435 3.686 . 0 0 "[ . 1 . 2]" 1
1297 1 48 LEU H 1 48 LEU QB . . 3.580 3.007 2.821 3.141 . 0 0 "[ . 1 . 2]" 1
1298 1 48 LEU H 1 97 TYR QB . . 5.340 4.407 4.042 4.996 . 0 0 "[ . 1 . 2]" 1
1299 1 48 LEU QB 1 48 LEU MD1 . . 3.180 2.002 1.932 2.094 . 0 0 "[ . 1 . 2]" 1
1300 1 49 PRO HA 1 50 ARG QB . . 4.700 4.078 4.011 4.136 . 0 0 "[ . 1 . 2]" 1
1301 1 50 ARG H 1 50 ARG QB . . 3.450 2.290 2.203 2.412 . 0 0 "[ . 1 . 2]" 1
1302 1 50 ARG H 1 50 ARG QG . . 4.370 4.012 3.860 4.171 . 0 0 "[ . 1 . 2]" 1
1303 1 50 ARG QG 1 54 SER H . . 4.590 3.841 3.273 4.577 . 0 0 "[ . 1 . 2]" 1
1304 1 50 ARG QG 1 69 ILE MG . . 3.600 2.372 1.866 3.507 . 0 0 "[ . 1 . 2]" 1
1305 1 50 ARG QG 1 70 ASP H . . 5.240 4.029 3.349 4.908 . 0 0 "[ . 1 . 2]" 1
1306 1 50 ARG QD 1 54 SER H . . 5.340 4.753 3.500 5.359 0.019 18 0 "[ . 1 . 2]" 1
1307 1 50 ARG QD 1 69 ILE QG . . 4.180 2.573 1.905 3.459 . 0 0 "[ . 1 . 2]" 1
1308 1 52 LEU H 1 52 LEU QD . . 4.270 3.692 3.582 3.751 . 0 0 "[ . 1 . 2]" 1
1309 1 52 LEU HA 1 52 LEU QD . . 3.440 2.278 1.982 3.110 . 0 0 "[ . 1 . 2]" 1
1310 1 52 LEU QD 1 53 ILE H . . 4.090 3.608 2.827 3.857 . 0 0 "[ . 1 . 2]" 1
1311 1 52 LEU QD 1 55 SER H . . 4.560 4.266 4.046 4.386 . 0 0 "[ . 1 . 2]" 1
1312 1 52 LEU QD 1 55 SER HB3 . . 4.320 3.125 2.641 4.154 . 0 0 "[ . 1 . 2]" 1
1313 1 52 LEU QD 1 56 LEU H . . 4.740 4.163 3.729 4.430 . 0 0 "[ . 1 . 2]" 1
1314 1 53 ILE H 1 54 SER QB . . 5.320 4.762 4.501 5.327 0.007 9 0 "[ . 1 . 2]" 1
1315 1 53 ILE HA 1 56 LEU QD . . 3.610 2.927 2.158 3.625 0.015 15 0 "[ . 1 . 2]" 1
1316 1 53 ILE MG 1 54 SER QB . . 4.720 4.271 4.114 4.402 . 0 0 "[ . 1 . 2]" 1
1317 1 53 ILE MD 1 97 TYR QB . . 3.690 3.228 2.809 3.559 . 0 0 "[ . 1 . 2]" 1
1318 1 54 SER H 1 54 SER QB . . 3.170 2.335 2.187 2.846 . 0 0 "[ . 1 . 2]" 1
1319 1 54 SER HA 1 69 ILE QG . . 4.150 3.673 3.277 4.172 0.022 5 0 "[ . 1 . 2]" 1
1320 1 54 SER QB 1 69 ILE H . . 5.340 4.839 4.308 5.321 . 0 0 "[ . 1 . 2]" 1
1321 1 54 SER QB 1 69 ILE MD . . 3.770 2.603 2.163 2.833 . 0 0 "[ . 1 . 2]" 1
1322 1 55 SER H 1 56 LEU QD . . 4.450 4.195 3.824 4.458 0.008 5 0 "[ . 1 . 2]" 1
1323 1 55 SER HA 1 59 ASN QB . . 4.590 4.083 3.888 4.298 . 0 0 "[ . 1 . 2]" 1
1324 1 55 SER HB3 1 56 LEU QD . . 4.200 3.486 2.935 3.959 . 0 0 "[ . 1 . 2]" 1
1325 1 56 LEU H 1 56 LEU QD . . 3.230 2.767 2.530 3.090 . 0 0 "[ . 1 . 2]" 1
1326 1 56 LEU HA 1 56 LEU QD . . 3.210 2.549 1.909 2.949 . 0 0 "[ . 1 . 2]" 1
1327 1 56 LEU HB3 1 56 LEU QD . . 2.810 2.014 1.916 2.112 . 0 0 "[ . 1 . 2]" 1
1328 1 57 VAL H 1 58 TRP QB . . 5.340 4.479 4.418 4.611 . 0 0 "[ . 1 . 2]" 1
1329 1 58 TRP H 1 58 TRP QB . . 3.550 2.273 2.166 2.335 . 0 0 "[ . 1 . 2]" 1
1330 1 59 ASN HA 1 60 MET QG . . 4.580 4.096 3.509 4.484 . 0 0 "[ . 1 . 2]" 1
1331 1 59 ASN QB 1 60 MET H . . 3.880 2.529 1.937 3.062 . 0 0 "[ . 1 . 2]" 1
1332 1 59 ASN QB 1 60 MET QG . . 4.440 3.916 3.436 4.336 . 0 0 "[ . 1 . 2]" 1
1333 1 60 MET H 1 60 MET QG . . 3.880 2.086 1.912 2.262 . 0 0 "[ . 1 . 2]" 1
1334 1 61 ASN QB 1 62 PHE HA . . 5.340 4.663 4.318 5.179 . 0 0 "[ . 1 . 2]" 1
1335 1 61 ASN QB 1 63 ASP H . . 4.400 2.739 2.235 3.396 . 0 0 "[ . 1 . 2]" 1
1336 1 61 ASN QB 1 63 ASP HA . . 5.340 4.972 4.700 5.299 . 0 0 "[ . 1 . 2]" 1
1337 1 63 ASP QB 1 64 SER HA . . 5.340 4.257 4.001 4.726 . 0 0 "[ . 1 . 2]" 1
1338 1 64 SER HA 1 65 ASP QB . . 4.880 4.274 3.919 4.548 . 0 0 "[ . 1 . 2]" 1
1339 1 64 SER QB 1 65 ASP H . . 3.790 3.307 2.132 3.806 0.016 7 0 "[ . 1 . 2]" 1
1340 1 65 ASP H 1 68 VAL QG . . 4.920 4.109 3.474 4.939 0.019 10 0 "[ . 1 . 2]" 1
1341 1 65 ASP QB 1 66 THR MG . . 3.640 3.085 2.774 3.479 . 0 0 "[ . 1 . 2]" 1
1342 1 65 ASP QB 1 68 VAL QG . . 3.800 2.259 1.950 2.586 . 0 0 "[ . 1 . 2]" 1
1343 1 66 THR MG 1 67 ASN QB . . 4.560 4.352 4.268 4.438 . 0 0 "[ . 1 . 2]" 1
1344 1 66 THR MG 1 68 VAL QG . . 3.230 2.724 1.751 3.071 . 0 0 "[ . 1 . 2]" 1
1345 1 67 ASN QB 1 70 ASP H . . 4.370 3.474 3.094 3.754 . 0 0 "[ . 1 . 2]" 1
1346 1 67 ASN QB 1 70 ASP HB3 . . 4.580 2.529 1.986 2.959 . 0 0 "[ . 1 . 2]" 1
1347 1 67 ASN QB 1 71 VAL MG2 . . 3.930 2.663 2.275 3.000 . 0 0 "[ . 1 . 2]" 1
1348 1 68 VAL H 1 68 VAL QG . . 3.080 2.172 2.014 2.497 . 0 0 "[ . 1 . 2]" 1
1349 1 68 VAL QG 1 69 ILE H . . 3.560 2.378 1.978 3.213 . 0 0 "[ . 1 . 2]" 1
1350 1 68 VAL QG 1 69 ILE HA . . 4.060 3.130 3.021 3.229 . 0 0 "[ . 1 . 2]" 1
1351 1 68 VAL QG 1 71 VAL HB . . 4.120 3.570 3.313 3.809 . 0 0 "[ . 1 . 2]" 1
1352 1 68 VAL QG 1 72 ALA HA . . 4.680 4.421 4.180 4.660 . 0 0 "[ . 1 . 2]" 1
1353 1 69 ILE MG 1 73 VAL QG . . 3.760 3.173 2.707 3.567 . 0 0 "[ . 1 . 2]" 1
1354 1 69 ILE QG 1 70 ASP H . . 4.370 3.837 3.727 4.003 . 0 0 "[ . 1 . 2]" 1
1355 1 70 ASP HA 1 73 VAL QG . . 3.710 2.369 1.973 2.932 . 0 0 "[ . 1 . 2]" 1
1356 1 71 VAL H 1 73 VAL QG . . 4.710 4.283 3.841 4.746 0.036 2 0 "[ . 1 . 2]" 1
1357 1 72 ALA H 1 73 VAL QG . . 4.070 3.729 3.560 3.927 . 0 0 "[ . 1 . 2]" 1
1358 1 72 ALA HA 1 75 ARG QB . . 5.070 3.650 3.583 3.728 . 0 0 "[ . 1 . 2]" 1
1359 1 72 ALA MB 1 73 VAL QG . . 4.170 3.476 2.972 3.805 . 0 0 "[ . 1 . 2]" 1
1360 1 73 VAL H 1 73 VAL QG . . 2.990 2.017 1.896 2.217 . 0 0 "[ . 1 . 2]" 1
1361 1 73 VAL QG 1 74 ARG HA . . 4.340 3.325 3.029 3.764 . 0 0 "[ . 1 . 2]" 1
1362 1 73 VAL QG 1 74 ARG HB2 . . 5.440 4.056 3.429 4.937 . 0 0 "[ . 1 . 2]" 1
1363 1 73 VAL QG 1 74 ARG QD . . 4.850 3.742 3.089 4.761 . 0 0 "[ . 1 . 2]" 1
1364 1 73 VAL QG 1 75 ARG H . . 5.440 4.270 3.913 4.694 . 0 0 "[ . 1 . 2]" 1
1365 1 73 VAL QG 1 76 LEU H . . 5.440 4.447 4.378 4.558 . 0 0 "[ . 1 . 2]" 1
1366 1 73 VAL QG 1 76 LEU HG . . 5.360 3.281 3.196 3.411 . 0 0 "[ . 1 . 2]" 1
1367 1 73 VAL QG 1 77 ARG H . . 4.780 3.926 3.734 4.127 . 0 0 "[ . 1 . 2]" 1
1368 1 73 VAL QG 1 77 ARG QB . . 3.780 3.014 2.779 3.238 . 0 0 "[ . 1 . 2]" 1
1369 1 73 VAL QG 1 89 ILE MD . . 3.280 1.915 1.788 2.246 . 0 0 "[ . 1 . 2]" 1
1370 1 74 ARG H 1 74 ARG QG . . 3.270 2.558 2.410 2.730 . 0 0 "[ . 1 . 2]" 1
1371 1 74 ARG HB3 1 74 ARG QD . . 3.170 2.315 1.956 2.624 . 0 0 "[ . 1 . 2]" 1
1372 1 74 ARG QG 1 75 ARG H . . 4.760 4.196 4.120 4.314 . 0 0 "[ . 1 . 2]" 1
1373 1 74 ARG QG 1 89 ILE MG . . 4.110 3.741 3.376 4.038 . 0 0 "[ . 1 . 2]" 1
1374 1 74 ARG QG 1 89 ILE MD . . 4.270 3.278 2.924 3.574 . 0 0 "[ . 1 . 2]" 1
1375 1 74 ARG QD 1 89 ILE MG . . 4.210 3.571 2.752 4.218 0.008 9 0 "[ . 1 . 2]" 1
1376 1 74 ARG QD 1 89 ILE MD . . 4.210 2.789 1.895 3.380 . 0 0 "[ . 1 . 2]" 1
1377 1 75 ARG HG3 1 76 LEU QB . . 4.430 2.980 2.941 3.012 . 0 0 "[ . 1 . 2]" 1
1378 1 76 LEU H 1 76 LEU QB . . 3.290 2.242 2.209 2.297 . 0 0 "[ . 1 . 2]" 1
1379 1 76 LEU HG 1 77 ARG QB . . 4.120 3.089 2.944 3.193 . 0 0 "[ . 1 . 2]" 1
1380 1 76 LEU MD1 1 77 ARG QB . . 3.600 3.149 2.641 3.404 . 0 0 "[ . 1 . 2]" 1
1381 1 77 ARG H 1 77 ARG QB . . 3.090 2.274 2.222 2.385 . 0 0 "[ . 1 . 2]" 1
1382 1 77 ARG H 1 77 ARG QD . . 4.600 4.330 4.027 4.590 . 0 0 "[ . 1 . 2]" 1
1383 1 77 ARG HA 1 77 ARG QD . . 4.060 3.481 3.219 3.586 . 0 0 "[ . 1 . 2]" 1
1384 1 77 ARG QB 1 77 ARG QD . . 3.280 2.261 2.023 2.541 . 0 0 "[ . 1 . 2]" 1
1385 1 77 ARG QB 1 78 SER H . . 3.660 2.707 2.387 3.529 . 0 0 "[ . 1 . 2]" 1
1386 1 77 ARG QB 1 81 ASP QB . . 4.650 3.336 2.272 3.775 . 0 0 "[ . 1 . 2]" 1
1387 1 77 ARG QB 1 82 ASP H . . 5.340 5.283 4.852 5.397 0.057 17 0 "[ . 1 . 2]" 1
1388 1 77 ARG QB 1 89 ILE MD . . 4.220 2.074 1.955 2.228 . 0 0 "[ . 1 . 2]" 1
1389 1 77 ARG QD 1 78 SER H . . 4.040 3.190 2.875 3.406 . 0 0 "[ . 1 . 2]" 1
1390 1 77 ARG QD 1 78 SER HA . . 4.480 2.875 2.561 3.126 . 0 0 "[ . 1 . 2]" 1
1391 1 77 ARG QD 1 78 SER QB . . 4.300 3.306 2.432 3.776 . 0 0 "[ . 1 . 2]" 1
1392 1 77 ARG QD 1 81 ASP H . . 5.240 4.688 4.069 5.043 . 0 0 "[ . 1 . 2]" 1
1393 1 78 SER H 1 78 SER QB . . 2.950 2.354 2.110 2.939 . 0 0 "[ . 1 . 2]" 1
1394 1 78 SER H 1 81 ASP QB . . 4.880 4.643 4.443 4.773 . 0 0 "[ . 1 . 2]" 1
1395 1 78 SER H 1 82 ASP QB . . 4.760 4.613 4.539 4.761 0.001 18 0 "[ . 1 . 2]" 1
1396 1 78 SER HA 1 81 ASP QB . . 4.980 4.344 4.147 4.575 . 0 0 "[ . 1 . 2]" 1
1397 1 78 SER HA 1 82 ASP QB . . 4.710 2.040 1.975 2.390 . 0 0 "[ . 1 . 2]" 1
1398 1 78 SER QB 1 79 LYS H . . 3.760 3.502 3.385 3.852 0.092 13 0 "[ . 1 . 2]" 1
1399 1 78 SER QB 1 79 LYS QG . . 4.520 4.432 4.200 4.547 0.027 15 0 "[ . 1 . 2]" 1
1400 1 78 SER QB 1 82 ASP QB . . 4.650 3.732 3.168 4.000 . 0 0 "[ . 1 . 2]" 1
1401 1 79 LYS H 1 79 LYS QG . . 3.670 3.422 3.140 3.535 . 0 0 "[ . 1 . 2]" 1
1402 1 79 LYS H 1 82 ASP QB . . 4.990 3.972 3.789 4.152 . 0 0 "[ . 1 . 2]" 1
1403 1 79 LYS HA 1 79 LYS QG . . 3.660 2.264 2.208 2.407 . 0 0 "[ . 1 . 2]" 1
1404 1 79 LYS HA 1 82 ASP QB . . 4.770 4.296 3.815 4.583 . 0 0 "[ . 1 . 2]" 1
1405 1 80 ILE H 1 80 ILE QG . . 4.240 4.144 4.068 4.235 . 0 0 "[ . 1 . 2]" 1
1406 1 80 ILE HA 1 84 PHE QB . . 4.440 4.423 4.111 4.475 0.035 17 0 "[ . 1 . 2]" 1
1407 1 80 ILE QG 1 84 PHE QB . . 4.080 2.739 2.116 3.059 . 0 0 "[ . 1 . 2]" 1
1408 1 81 ASP H 1 82 ASP QB . . 4.530 4.305 4.171 4.534 0.004 16 0 "[ . 1 . 2]" 1
1409 1 81 ASP HA 1 84 PHE QB . . 4.870 2.113 1.937 2.289 . 0 0 "[ . 1 . 2]" 1
1410 1 81 ASP QB 1 82 ASP H . . 4.240 3.147 2.967 3.328 . 0 0 "[ . 1 . 2]" 1
1411 1 82 ASP QB 1 83 ASP QB . . 4.540 3.296 3.141 3.955 . 0 0 "[ . 1 . 2]" 1
1412 1 82 ASP QB 1 84 PHE H . . 5.110 4.768 4.162 5.135 0.025 16 0 "[ . 1 . 2]" 1
1413 1 83 ASP H 1 83 ASP QB . . 3.060 2.666 2.444 3.075 0.015 5 0 "[ . 1 . 2]" 1
1414 1 84 PHE H 1 84 PHE QB . . 3.380 2.518 2.083 2.664 . 0 0 "[ . 1 . 2]" 1
1415 1 84 PHE HA 1 85 GLU QG . . 5.130 4.600 4.310 4.965 . 0 0 "[ . 1 . 2]" 1
1416 1 84 PHE QB 1 85 GLU H . . 3.070 2.513 2.069 2.810 . 0 0 "[ . 1 . 2]" 1
1417 1 84 PHE QB 1 85 GLU QB . . 4.140 3.427 3.105 3.743 . 0 0 "[ . 1 . 2]" 1
1418 1 84 PHE QB 1 85 GLU QG . . 4.650 3.160 2.520 4.270 . 0 0 "[ . 1 . 2]" 1
1419 1 85 GLU H 1 85 GLU QB . . 3.520 2.689 2.312 3.242 . 0 0 "[ . 1 . 2]" 1
1420 1 85 GLU H 1 85 GLU QG . . 3.880 3.279 1.909 3.790 . 0 0 "[ . 1 . 2]" 1
1421 1 85 GLU HA 1 85 GLU QG . . 3.360 2.541 2.056 3.303 . 0 0 "[ . 1 . 2]" 1
1422 1 85 GLU QB 1 86 PRO HA . . 4.820 4.493 4.470 4.592 . 0 0 "[ . 1 . 2]" 1
1423 1 85 GLU QB 1 88 LEU QD . . 4.090 2.615 2.035 3.459 . 0 0 "[ . 1 . 2]" 1
1424 1 85 GLU QG 1 88 LEU QD . . 5.010 3.629 3.101 4.317 . 0 0 "[ . 1 . 2]" 1
1425 1 86 PRO QB 1 87 LYS H . . 3.680 2.329 2.018 3.000 . 0 0 "[ . 1 . 2]" 1
1426 1 86 PRO QB 1 87 LYS QG . . 4.200 3.439 2.990 4.197 . 0 0 "[ . 1 . 2]" 1
1427 1 87 LYS H 1 87 LYS QB . . 3.610 2.630 2.418 2.867 . 0 0 "[ . 1 . 2]" 1
1428 1 87 LYS H 1 87 LYS QG . . 3.190 2.097 1.899 2.358 . 0 0 "[ . 1 . 2]" 1
1429 1 87 LYS HA 1 87 LYS QG . . 3.710 3.170 2.507 3.378 . 0 0 "[ . 1 . 2]" 1
1430 1 87 LYS QB 1 89 ILE H . . 4.690 3.215 2.967 3.618 . 0 0 "[ . 1 . 2]" 1
1431 1 88 LEU H 1 88 LEU QD . . 5.190 2.757 2.047 3.321 . 0 0 "[ . 1 . 2]" 1
1432 1 88 LEU HA 1 88 LEU QD . . 3.220 2.554 1.944 3.014 . 0 0 "[ . 1 . 2]" 1
1433 1 88 LEU HB2 1 88 LEU QD . . 2.690 2.127 1.970 2.440 . 0 0 "[ . 1 . 2]" 1
1434 1 88 LEU QD 1 100 GLU HA . . 5.440 3.948 3.430 4.515 . 0 0 "[ . 1 . 2]" 1
1435 1 88 LEU QD 1 101 ILE H . . 5.200 3.913 3.158 4.526 . 0 0 "[ . 1 . 2]" 1
1436 1 88 LEU QD 1 101 ILE HA . . 4.270 2.734 1.922 3.398 . 0 0 "[ . 1 . 2]" 1
1437 1 88 LEU QD 1 101 ILE HB . . 3.840 3.355 2.222 3.844 0.004 16 0 "[ . 1 . 2]" 1
1438 1 88 LEU QD 1 102 ARG H . . 4.450 3.953 3.337 4.466 0.016 11 0 "[ . 1 . 2]" 1
1439 1 89 ILE H 1 89 ILE QG . . 3.480 2.329 1.932 2.683 . 0 0 "[ . 1 . 2]" 1
1440 1 89 ILE QG 1 90 HIS H . . 4.390 4.216 4.032 4.384 . 0 0 "[ . 1 . 2]" 1
1441 1 94 GLY QA 1 95 ALA MB . . 4.390 3.914 3.765 3.958 . 0 0 "[ . 1 . 2]" 1
1442 1 96 GLY H 1 97 TYR QB . . 5.340 5.207 4.947 5.367 0.027 13 0 "[ . 1 . 2]" 1
1443 1 97 TYR H 1 97 TYR QB . . 3.600 2.813 2.692 3.064 . 0 0 "[ . 1 . 2]" 1
1444 1 97 TYR QB 1 98 VAL H . . 3.550 3.165 2.756 3.607 0.057 16 0 "[ . 1 . 2]" 1
1445 1 99 LEU H 1 99 LEU QD . . 3.740 1.905 1.847 2.076 . 0 0 "[ . 1 . 2]" 1
1446 1 99 LEU HA 1 99 LEU QD . . 4.250 3.346 3.318 3.376 . 0 0 "[ . 1 . 2]" 1
1447 1 99 LEU QD 1 100 GLU H . . 4.540 3.889 3.570 4.076 . 0 0 "[ . 1 . 2]" 1
1448 1 99 LEU QD 1 100 GLU HA . . 4.550 3.783 3.326 4.086 . 0 0 "[ . 1 . 2]" 1
1449 1 100 GLU QB 1 101 ILE H . . 3.990 2.822 1.926 3.700 . 0 0 "[ . 1 . 2]" 1
1450 1 101 ILE H 1 101 ILE QG . . 3.470 2.576 1.999 3.400 . 0 0 "[ . 1 . 2]" 1
1451 1 101 ILE H 1 104 GLU QB . . 4.120 3.836 3.028 4.155 0.035 8 0 "[ . 1 . 2]" 1
1452 1 101 ILE HA 1 102 ARG QG . . 5.340 4.209 3.670 5.332 . 0 0 "[ . 1 . 2]" 1
1453 1 101 ILE MG 1 103 GLU QB . . 5.340 4.254 4.016 4.690 . 0 0 "[ . 1 . 2]" 1
1454 1 101 ILE MG 1 104 GLU QB . . 5.340 4.557 4.259 4.774 . 0 0 "[ . 1 . 2]" 1
1455 1 101 ILE QG 1 103 GLU QB . . 3.980 3.043 2.045 3.953 . 0 0 "[ . 1 . 2]" 1
1456 1 101 ILE QG 1 104 GLU H . . 5.160 2.119 1.922 2.559 . 0 0 "[ . 1 . 2]" 1
1457 1 102 ARG HA 1 102 ARG QG . . 3.640 2.761 2.125 3.430 . 0 0 "[ . 1 . 2]" 1
1458 1 102 ARG HA 1 104 GLU QB . . 4.930 4.141 3.881 4.414 . 0 0 "[ . 1 . 2]" 1
1459 1 103 GLU H 1 103 GLU QG . . 4.540 3.192 1.929 4.026 . 0 0 "[ . 1 . 2]" 1
1460 1 103 GLU HA 1 103 GLU QG . . 3.630 2.964 2.405 3.400 . 0 0 "[ . 1 . 2]" 1
1461 1 103 GLU QB 1 104 GLU H . . 3.990 2.958 2.661 3.629 . 0 0 "[ . 1 . 2]" 1
1462 1 104 GLU H 1 104 GLU QB . . 3.110 2.235 2.149 2.249 . 0 0 "[ . 1 . 2]" 1
1463 1 104 GLU H 1 104 GLU QG . . 4.440 3.943 2.919 4.057 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 254
_Distance_constraint_stats_list.Viol_total 136.373
_Distance_constraint_stats_list.Viol_max 0.127
_Distance_constraint_stats_list.Viol_rms 0.0190
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0268
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ASP 0.028 0.011 16 0 "[ . 1 . 2]"
1 19 THR 0.028 0.011 16 0 "[ . 1 . 2]"
1 20 VAL 0.199 0.041 4 0 "[ . 1 . 2]"
1 21 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ILE 0.199 0.041 4 0 "[ . 1 . 2]"
1 30 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLY 0.062 0.022 9 0 "[ . 1 . 2]"
1 32 LYS 0.248 0.091 10 0 "[ . 1 . 2]"
1 33 GLU 0.030 0.017 18 0 "[ . 1 . 2]"
1 34 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 VAL 0.062 0.022 9 0 "[ . 1 . 2]"
1 36 LEU 0.664 0.091 10 0 "[ . 1 . 2]"
1 37 LEU 0.030 0.017 18 0 "[ . 1 . 2]"
1 38 GLU 0.261 0.041 19 0 "[ . 1 . 2]"
1 39 LEU 0.002 0.002 5 0 "[ . 1 . 2]"
1 40 LEU 0.415 0.053 15 0 "[ . 1 . 2]"
1 41 LEU 0.076 0.016 4 0 "[ . 1 . 2]"
1 42 GLN 0.261 0.041 19 0 "[ . 1 . 2]"
1 43 ARG 0.259 0.053 20 0 "[ . 1 . 2]"
1 44 THR 0.076 0.016 4 0 "[ . 1 . 2]"
1 46 GLU 0.257 0.053 20 0 "[ . 1 . 2]"
1 48 LEU 0.402 0.056 20 0 "[ . 1 . 2]"
1 50 ARG 0.230 0.076 15 0 "[ . 1 . 2]"
1 52 LEU 0.266 0.028 15 0 "[ . 1 . 2]"
1 54 SER 0.230 0.076 15 0 "[ . 1 . 2]"
1 55 SER 0.266 0.028 15 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ASN 0.109 0.021 17 0 "[ . 1 . 2]"
1 68 VAL 0.028 0.014 10 0 "[ . 1 . 2]"
1 69 ILE 0.494 0.054 15 0 "[ . 1 . 2]"
1 70 ASP 0.365 0.054 18 0 "[ . 1 . 2]"
1 71 VAL 0.109 0.021 17 0 "[ . 1 . 2]"
1 72 ALA 0.852 0.081 19 0 "[ . 1 . 2]"
1 73 VAL 0.497 0.054 15 0 "[ . 1 . 2]"
1 74 ARG 1.085 0.119 13 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 2.298 0.127 4 0 "[ . 1 . 2]"
1 77 ARG 0.003 0.002 15 0 "[ . 1 . 2]"
1 78 SER 0.720 0.119 13 0 "[ . 1 . 2]"
1 79 LYS 1.474 0.127 4 0 "[ . 1 . 2]"
1 88 LEU 0.083 0.040 4 0 "[ . 1 . 2]"
1 90 HIS 0.243 0.034 10 0 "[ . 1 . 2]"
1 97 TYR 0.402 0.056 20 0 "[ . 1 . 2]"
1 98 VAL 0.243 0.034 10 0 "[ . 1 . 2]"
1 100 GLU 0.083 0.040 4 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 12 THR H 1 21 ILE O . . 2.200 2.024 1.937 2.100 . 0 0 "[ . 1 . 2]" 2
2 1 6 CYS O 1 13 VAL H . . 2.200 1.982 1.842 2.143 . 0 0 "[ . 1 . 2]" 2
3 1 14 ASP H 1 19 THR O . . 2.200 2.144 2.043 2.211 0.011 16 0 "[ . 1 . 2]" 2
4 1 12 THR O 1 21 ILE H . . 2.200 2.035 1.945 2.150 . 0 0 "[ . 1 . 2]" 2
5 1 22 ARG H 1 25 LYS O . . 2.200 1.890 1.818 2.034 . 0 0 "[ . 1 . 2]" 2
6 1 22 ARG O 1 25 LYS H . . 2.200 1.952 1.838 2.012 . 0 0 "[ . 1 . 2]" 2
7 1 20 VAL O 1 27 ILE H . . 2.200 2.185 2.020 2.241 0.041 4 0 "[ . 1 . 2]" 2
8 1 30 THR O 1 34 TYR H . . 2.200 1.891 1.801 2.042 . 0 0 "[ . 1 . 2]" 2
9 1 31 GLY O 1 35 VAL H . . 2.200 2.122 2.007 2.222 0.022 9 0 "[ . 1 . 2]" 2
10 1 32 LYS O 1 36 LEU H . . 2.200 2.187 2.071 2.291 0.091 10 0 "[ . 1 . 2]" 2
11 1 33 GLU O 1 37 LEU H . . 2.200 2.069 1.856 2.217 0.017 18 0 "[ . 1 . 2]" 2
12 1 34 TYR O 1 38 GLU H . . 2.200 1.867 1.812 1.974 . 0 0 "[ . 1 . 2]" 2
13 1 36 LEU O 1 40 LEU H . . 2.200 2.209 2.108 2.253 0.053 15 0 "[ . 1 . 2]" 2
14 1 37 LEU O 1 41 LEU H . . 2.200 1.822 1.778 2.007 . 0 0 "[ . 1 . 2]" 2
15 1 38 GLU O 1 42 GLN H . . 2.200 2.209 2.169 2.241 0.041 19 0 "[ . 1 . 2]" 2
16 1 39 LEU O 1 43 ARG H . . 2.200 1.984 1.796 2.202 0.002 5 0 "[ . 1 . 2]" 2
17 1 41 LEU O 1 44 THR H . . 2.200 2.085 1.948 2.216 0.016 4 0 "[ . 1 . 2]" 2
18 1 43 ARG O 1 46 GLU H . . 2.200 2.202 2.098 2.253 0.053 20 0 "[ . 1 . 2]" 2
19 1 48 LEU H 1 97 TYR O . . 2.200 2.171 1.966 2.256 0.056 20 0 "[ . 1 . 2]" 2
20 1 50 ARG O 1 54 SER H . . 2.200 2.126 1.942 2.276 0.076 15 0 "[ . 1 . 2]" 2
21 1 52 LEU O 1 55 SER H . . 2.200 2.212 2.180 2.228 0.028 15 0 "[ . 1 . 2]" 2
22 1 65 ASP O 1 68 VAL H . . 2.200 1.791 1.773 1.814 . 0 0 "[ . 1 . 2]" 2
23 1 67 ASN O 1 71 VAL H . . 2.200 2.087 1.819 2.221 0.021 17 0 "[ . 1 . 2]" 2
24 1 68 VAL O 1 72 ALA H . . 2.200 2.073 1.888 2.214 0.014 10 0 "[ . 1 . 2]" 2
25 1 69 ILE O 1 73 VAL H . . 2.200 2.224 2.186 2.254 0.054 15 0 "[ . 1 . 2]" 2
26 1 70 ASP O 1 74 ARG H . . 2.200 2.213 2.146 2.254 0.054 18 0 "[ . 1 . 2]" 2
27 1 71 VAL O 1 75 ARG H . . 2.200 1.893 1.812 2.074 . 0 0 "[ . 1 . 2]" 2
28 1 72 ALA O 1 76 LEU H . . 2.200 2.241 2.194 2.281 0.081 19 0 "[ . 1 . 2]" 2
29 1 73 VAL O 1 77 ARG H . . 2.200 2.137 2.032 2.202 0.002 15 0 "[ . 1 . 2]" 2
30 1 74 ARG O 1 78 SER H . . 2.200 2.236 2.208 2.319 0.119 13 0 "[ . 1 . 2]" 2
31 1 76 LEU O 1 79 LYS H . . 2.200 2.274 2.249 2.327 0.127 4 0 "[ . 1 . 2]" 2
32 1 90 HIS H 1 98 VAL O . . 2.200 2.112 1.851 2.229 0.029 10 0 "[ . 1 . 2]" 2
33 1 48 LEU O 1 97 TYR H . . 2.200 2.146 1.925 2.245 0.045 18 0 "[ . 1 . 2]" 2
34 1 90 HIS O 1 98 VAL H . . 2.200 2.054 1.830 2.234 0.034 10 0 "[ . 1 . 2]" 2
35 1 88 LEU O 1 100 GLU H . . 2.200 2.088 1.801 2.240 0.040 4 0 "[ . 1 . 2]" 2
stop_
save_
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