NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
402085 |
1we6   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1we6
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 1611
_Distance_constraint_stats_list.Viol_count 146
_Distance_constraint_stats_list.Viol_total 14.547
_Distance_constraint_stats_list.Viol_max 0.059
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0050
_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 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.009 0.005 4 0 "[ . 1 . 2]"
1 15 VAL 0.046 0.021 3 0 "[ . 1 . 2]"
1 16 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASP 0.000 0.000 3 0 "[ . 1 . 2]"
1 19 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.050 0.015 20 0 "[ . 1 . 2]"
1 21 LEU 0.002 0.002 20 0 "[ . 1 . 2]"
1 22 ALA 0.001 0.001 11 0 "[ . 1 . 2]"
1 23 GLN 0.000 0.000 1 0 "[ . 1 . 2]"
1 24 HIS 0.001 0.001 11 0 "[ . 1 . 2]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ALA 0.001 0.001 9 0 "[ . 1 . 2]"
1 29 THR 0.003 0.003 20 0 "[ . 1 . 2]"
1 30 ILE 0.102 0.059 18 0 "[ . 1 . 2]"
1 31 ARG 0.062 0.059 18 0 "[ . 1 . 2]"
1 32 VAL 0.003 0.001 5 0 "[ . 1 . 2]"
1 33 SER 0.006 0.006 16 0 "[ . 1 . 2]"
1 34 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 PRO 0.023 0.009 9 0 "[ . 1 . 2]"
1 36 ASN 0.000 0.000 7 0 "[ . 1 . 2]"
1 37 GLU 0.037 0.028 11 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLN 0.004 0.004 5 0 "[ . 1 . 2]"
1 42 PHE 0.010 0.009 10 0 "[ . 1 . 2]"
1 43 MET 0.001 0.001 16 0 "[ . 1 . 2]"
1 44 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.031 0.009 4 0 "[ . 1 . 2]"
1 46 THR 0.007 0.004 9 0 "[ . 1 . 2]"
1 47 VAL 0.008 0.003 20 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 SER 0.012 0.012 15 0 "[ . 1 . 2]"
1 50 LEU 0.020 0.008 20 0 "[ . 1 . 2]"
1 51 SER 0.015 0.012 15 0 "[ . 1 . 2]"
1 52 GLU 0.006 0.002 13 0 "[ . 1 . 2]"
1 53 ASN 0.004 0.004 20 0 "[ . 1 . 2]"
1 54 VAL 0.004 0.002 5 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 LEU 0.005 0.004 3 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LYS 0.018 0.006 20 0 "[ . 1 . 2]"
1 61 ILE 0.009 0.009 4 0 "[ . 1 . 2]"
1 62 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLU 0.004 0.003 20 0 "[ . 1 . 2]"
1 65 ILE 0.030 0.009 9 0 "[ . 1 . 2]"
1 66 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ILE 0.007 0.003 19 0 "[ . 1 . 2]"
1 68 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.011 0.003 11 0 "[ . 1 . 2]"
1 72 GLN 0.019 0.006 14 0 "[ . 1 . 2]"
1 73 LYS 0.007 0.002 4 0 "[ . 1 . 2]"
1 74 LEU 0.010 0.002 3 0 "[ . 1 . 2]"
1 75 SER 0.099 0.011 16 0 "[ . 1 . 2]"
1 76 GLY 0.012 0.011 16 0 "[ . 1 . 2]"
1 77 LYS 0.024 0.019 19 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 GLY 0.004 0.003 16 0 "[ . 1 . 2]"
1 80 PHE 0.003 0.002 16 0 "[ . 1 . 2]"
1 81 LEU 0.007 0.002 3 0 "[ . 1 . 2]"
1 82 LYS 0.007 0.004 19 0 "[ . 1 . 2]"
1 83 ASP 0.004 0.004 19 0 "[ . 1 . 2]"
1 84 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 MET 0.004 0.004 1 0 "[ . 1 . 2]"
1 86 SER 0.004 0.004 20 0 "[ . 1 . 2]"
1 87 LEU 0.066 0.046 20 0 "[ . 1 . 2]"
1 88 ALA 0.013 0.009 16 0 "[ . 1 . 2]"
1 89 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 TYR 0.008 0.004 1 0 "[ . 1 . 2]"
1 91 ASN 0.076 0.021 3 0 "[ . 1 . 2]"
1 92 VAL 0.059 0.046 20 0 "[ . 1 . 2]"
1 93 GLY 0.031 0.010 9 0 "[ . 1 . 2]"
1 94 ALA 0.001 0.001 12 0 "[ . 1 . 2]"
1 95 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 GLU 0.057 0.016 12 0 "[ . 1 . 2]"
1 97 ILE 0.018 0.009 10 0 "[ . 1 . 2]"
1 98 LEU 0.015 0.007 9 0 "[ . 1 . 2]"
1 99 THR 0.073 0.009 3 0 "[ . 1 . 2]"
1 100 LEU 0.058 0.023 11 0 "[ . 1 . 2]"
1 101 SER 0.013 0.006 14 0 "[ . 1 . 2]"
1 102 LEU 0.001 0.001 15 0 "[ . 1 . 2]"
1 103 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 30 ILE H 1 30 ILE HG12 . . 4.330 2.574 2.232 4.299 . 0 0 "[ . 1 . 2]" 1
2 1 30 ILE H 1 30 ILE HB . . 3.710 2.572 2.300 2.737 . 0 0 "[ . 1 . 2]" 1
3 1 32 VAL HA 1 98 LEU H . . 3.610 3.172 2.730 3.432 . 0 0 "[ . 1 . 2]" 1
4 1 97 ILE HA 1 98 LEU H . . 3.130 2.175 2.142 2.247 . 0 0 "[ . 1 . 2]" 1
5 1 98 LEU H 1 98 LEU HB2 . . 3.410 2.612 2.476 2.729 . 0 0 "[ . 1 . 2]" 1
6 1 98 LEU H 1 98 LEU HG . . 3.410 2.507 2.196 2.747 . 0 0 "[ . 1 . 2]" 1
7 1 30 ILE MG 1 98 LEU H . . 3.920 3.607 3.384 3.804 . 0 0 "[ . 1 . 2]" 1
8 1 97 ILE MG 1 98 LEU H . . 3.540 2.346 2.012 2.824 . 0 0 "[ . 1 . 2]" 1
9 1 62 ALA MB 1 63 GLY H . . 3.680 2.828 2.693 2.960 . 0 0 "[ . 1 . 2]" 1
10 1 15 VAL H 1 91 ASN HD22 . . 3.910 2.916 2.618 3.261 . 0 0 "[ . 1 . 2]" 1
11 1 14 LEU HA 1 15 VAL H . . 3.200 2.271 2.192 2.329 . 0 0 "[ . 1 . 2]" 1
12 1 15 VAL H 1 15 VAL MG2 . . 3.240 2.214 1.944 2.503 . 0 0 "[ . 1 . 2]" 1
13 1 15 VAL H 1 15 VAL HB . . 3.540 2.564 2.485 2.709 . 0 0 "[ . 1 . 2]" 1
14 1 30 ILE H 1 45 ILE H . . 4.020 3.712 3.266 3.973 . 0 0 "[ . 1 . 2]" 1
15 1 44 GLU HA 1 45 ILE H . . 3.080 2.187 2.154 2.216 . 0 0 "[ . 1 . 2]" 1
16 1 45 ILE H 1 45 ILE HB . . 3.410 2.605 2.456 2.745 . 0 0 "[ . 1 . 2]" 1
17 1 45 ILE H 1 45 ILE QG . . 3.830 2.679 2.448 2.978 . 0 0 "[ . 1 . 2]" 1
18 1 29 THR MG 1 45 ILE H . . 4.100 3.364 2.941 3.659 . 0 0 "[ . 1 . 2]" 1
19 1 32 VAL MG2 1 45 ILE H . . 4.110 3.718 3.387 4.071 . 0 0 "[ . 1 . 2]" 1
20 1 45 ILE H 1 45 ILE MG . . 4.580 3.833 3.761 3.896 . 0 0 "[ . 1 . 2]" 1
21 1 57 LEU H 1 57 LEU HB2 . . 3.390 2.139 2.041 2.324 . 0 0 "[ . 1 . 2]" 1
22 1 54 VAL HA 1 57 LEU H . . 4.190 3.509 3.313 3.899 . 0 0 "[ . 1 . 2]" 1
23 1 57 LEU H 1 57 LEU HB3 . . 3.390 3.000 2.703 3.390 0.000 16 0 "[ . 1 . 2]" 1
24 1 57 LEU H 1 57 LEU MD1 . . 4.840 3.979 3.737 4.365 . 0 0 "[ . 1 . 2]" 1
25 1 57 LEU H 1 87 LEU MD2 . . 4.960 4.530 3.963 4.861 . 0 0 "[ . 1 . 2]" 1
26 1 16 PRO HA 1 17 GLU H . . 3.070 2.236 2.161 2.364 . 0 0 "[ . 1 . 2]" 1
27 1 17 GLU H 1 17 GLU QB . . 3.090 2.188 2.147 2.207 . 0 0 "[ . 1 . 2]" 1
28 1 30 ILE HA 1 31 ARG H . . 3.240 2.168 2.139 2.345 . 0 0 "[ . 1 . 2]" 1
29 1 31 ARG H 1 31 ARG HB2 . . 3.710 2.368 2.203 2.615 . 0 0 "[ . 1 . 2]" 1
30 1 30 ILE MG 1 31 ARG H . . 3.700 2.500 1.840 2.909 . 0 0 "[ . 1 . 2]" 1
31 1 68 PRO HA 1 69 ALA H . . 2.990 2.176 2.160 2.206 . 0 0 "[ . 1 . 2]" 1
32 1 68 PRO HB3 1 69 ALA H . . 3.970 3.889 3.792 3.966 . 0 0 "[ . 1 . 2]" 1
33 1 68 PRO HB2 1 69 ALA H . . 3.960 3.363 3.210 3.481 . 0 0 "[ . 1 . 2]" 1
34 1 62 ALA MB 1 69 ALA H . . 3.660 3.099 3.002 3.219 . 0 0 "[ . 1 . 2]" 1
35 1 69 ALA H 1 69 ALA MB . . 3.160 2.115 2.047 2.240 . 0 0 "[ . 1 . 2]" 1
36 1 13 ALA H 1 13 ALA MB . . 3.600 2.494 2.127 2.968 . 0 0 "[ . 1 . 2]" 1
37 1 45 ILE HA 1 46 THR H . . 2.910 2.173 2.156 2.180 . 0 0 "[ . 1 . 2]" 1
38 1 29 THR MG 1 46 THR H . . 4.520 3.917 3.723 4.133 . 0 0 "[ . 1 . 2]" 1
39 1 45 ILE MG 1 46 THR H . . 3.420 3.080 2.882 3.213 . 0 0 "[ . 1 . 2]" 1
40 1 49 SER HA 1 50 LEU H . . 3.350 2.254 2.170 2.326 . 0 0 "[ . 1 . 2]" 1
41 1 50 LEU H 1 50 LEU HG . . 3.410 2.505 2.266 2.741 . 0 0 "[ . 1 . 2]" 1
42 1 50 LEU H 1 50 LEU HB2 . . 3.470 2.387 2.312 2.485 . 0 0 "[ . 1 . 2]" 1
43 1 32 VAL HA 1 33 SER H . . 3.080 2.178 2.146 2.211 . 0 0 "[ . 1 . 2]" 1
44 1 33 SER H 1 99 THR HA . . 4.070 2.887 2.466 3.379 . 0 0 "[ . 1 . 2]" 1
45 1 33 SER H 1 33 SER HB3 . . 4.160 2.493 2.242 3.604 . 0 0 "[ . 1 . 2]" 1
46 1 32 VAL MG1 1 33 SER H . . 3.760 2.418 2.243 2.711 . 0 0 "[ . 1 . 2]" 1
47 1 10 ASP HA 1 11 GLU H . . 3.390 2.232 2.140 2.334 . 0 0 "[ . 1 . 2]" 1
48 1 75 SER HA 1 81 LEU H . . 4.060 2.258 1.946 2.719 . 0 0 "[ . 1 . 2]" 1
49 1 80 PHE HA 1 81 LEU H . . 3.180 2.166 2.138 2.219 . 0 0 "[ . 1 . 2]" 1
50 1 81 LEU H 1 81 LEU HB3 . . 3.810 3.592 3.573 3.612 . 0 0 "[ . 1 . 2]" 1
51 1 81 LEU H 1 81 LEU HG . . 3.210 2.161 1.911 2.473 . 0 0 "[ . 1 . 2]" 1
52 1 81 LEU H 1 81 LEU MD2 . . 4.270 3.469 3.085 3.814 . 0 0 "[ . 1 . 2]" 1
53 1 81 LEU MD2 1 82 LYS H . . 4.590 3.598 3.283 4.062 . 0 0 "[ . 1 . 2]" 1
54 1 82 LYS H 1 90 TYR QE . . 3.620 2.553 2.006 2.980 . 0 0 "[ . 1 . 2]" 1
55 1 81 LEU HA 1 82 LYS H . . 3.170 2.229 2.161 2.411 . 0 0 "[ . 1 . 2]" 1
56 1 82 LYS H 1 82 LYS HB3 . . 3.790 3.714 3.640 3.792 0.002 14 0 "[ . 1 . 2]" 1
57 1 82 LYS H 1 82 LYS HG2 . . 4.060 2.967 2.453 3.896 . 0 0 "[ . 1 . 2]" 1
58 1 73 LYS HA 1 74 LEU H . . 3.110 2.233 2.171 2.350 . 0 0 "[ . 1 . 2]" 1
59 1 73 LYS QG 1 74 LEU H . . 4.270 3.786 3.296 4.201 . 0 0 "[ . 1 . 2]" 1
60 1 74 LEU H 1 74 LEU HB2 . . 3.500 2.315 2.229 2.383 . 0 0 "[ . 1 . 2]" 1
61 1 51 SER H 1 52 GLU H . . 3.400 2.837 2.082 2.946 . 0 0 "[ . 1 . 2]" 1
62 1 52 GLU H 1 52 GLU HG2 . . 3.620 2.418 2.245 2.679 . 0 0 "[ . 1 . 2]" 1
63 1 52 GLU H 1 52 GLU HG3 . . 3.800 3.736 3.168 3.799 . 0 0 "[ . 1 . 2]" 1
64 1 52 GLU H 1 52 GLU QB . . 2.990 2.398 2.272 2.486 . 0 0 "[ . 1 . 2]" 1
65 1 89 HIS H 1 90 TYR H . . 3.790 2.765 2.549 2.972 . 0 0 "[ . 1 . 2]" 1
66 1 89 HIS H 1 89 HIS HB2 . . 3.490 2.268 2.086 2.522 . 0 0 "[ . 1 . 2]" 1
67 1 89 HIS H 1 89 HIS HB3 . . 3.490 2.845 2.538 3.154 . 0 0 "[ . 1 . 2]" 1
68 1 88 ALA MB 1 89 HIS H . . 3.610 2.579 2.264 2.838 . 0 0 "[ . 1 . 2]" 1
69 1 53 ASN HA 1 54 VAL H . . 3.360 2.194 2.157 2.246 . 0 0 "[ . 1 . 2]" 1
70 1 54 VAL H 1 54 VAL HB . . 3.440 2.619 2.465 2.744 . 0 0 "[ . 1 . 2]" 1
71 1 53 ASN HB2 1 54 VAL H . . 4.030 3.595 2.904 4.029 . 0 0 "[ . 1 . 2]" 1
72 1 53 ASN HB3 1 54 VAL H . . 4.030 3.417 2.983 4.020 . 0 0 "[ . 1 . 2]" 1
73 1 54 VAL H 1 54 VAL MG1 . . 4.750 3.772 3.753 3.790 . 0 0 "[ . 1 . 2]" 1
74 1 43 MET HA 1 44 GLU H . . 3.170 2.430 2.182 2.511 . 0 0 "[ . 1 . 2]" 1
75 1 44 GLU H 1 44 GLU HB2 . . 3.990 2.499 2.242 2.692 . 0 0 "[ . 1 . 2]" 1
76 1 44 GLU H 1 44 GLU HB3 . . 3.990 3.659 3.424 3.800 . 0 0 "[ . 1 . 2]" 1
77 1 60 LYS H 1 61 ILE H . . 3.320 3.019 2.806 3.152 . 0 0 "[ . 1 . 2]" 1
78 1 60 LYS HB2 1 61 ILE H . . 3.630 2.375 2.055 2.771 . 0 0 "[ . 1 . 2]" 1
79 1 58 LYS HA 1 61 ILE H . . 4.510 3.863 3.648 4.004 . 0 0 "[ . 1 . 2]" 1
80 1 58 LYS HA 1 62 ALA H . . 4.830 3.833 3.717 4.126 . 0 0 "[ . 1 . 2]" 1
81 1 61 ILE H 1 61 ILE HB . . 3.430 2.630 2.438 2.747 . 0 0 "[ . 1 . 2]" 1
82 1 61 ILE HB 1 62 ALA H . . 3.680 2.614 2.500 2.979 . 0 0 "[ . 1 . 2]" 1
83 1 61 ILE H 1 61 ILE MD . . 3.110 2.442 1.938 3.036 . 0 0 "[ . 1 . 2]" 1
84 1 45 ILE MG 1 61 ILE H . . 4.440 3.819 3.591 4.054 . 0 0 "[ . 1 . 2]" 1
85 1 62 ALA H 1 63 GLY H . . 3.430 2.894 2.723 2.958 . 0 0 "[ . 1 . 2]" 1
86 1 59 GLU HA 1 62 ALA H . . 4.000 3.623 3.177 3.875 . 0 0 "[ . 1 . 2]" 1
87 1 62 ALA H 1 72 GLN HE22 . . 3.620 2.400 1.961 3.085 . 0 0 "[ . 1 . 2]" 1
88 1 62 ALA H 1 62 ALA MB . . 3.030 2.217 2.138 2.259 . 0 0 "[ . 1 . 2]" 1
89 1 102 LEU HA 1 103 ARG H . . 3.250 2.260 2.166 2.391 . 0 0 "[ . 1 . 2]" 1
90 1 103 ARG H 1 103 ARG HB3 . . 3.770 2.986 2.446 3.502 . 0 0 "[ . 1 . 2]" 1
91 1 18 ASP H 1 19 GLN H . . 3.420 2.563 2.364 2.679 . 0 0 "[ . 1 . 2]" 1
92 1 19 GLN H 1 19 GLN HG2 . . 3.890 3.436 2.819 3.867 . 0 0 "[ . 1 . 2]" 1
93 1 19 GLN H 1 19 GLN QB . . 2.930 2.306 2.174 2.402 . 0 0 "[ . 1 . 2]" 1
94 1 16 PRO HB2 1 19 GLN H . . 3.350 2.960 2.832 3.188 . 0 0 "[ . 1 . 2]" 1
95 1 19 GLN H 1 20 PHE H . . 3.420 2.546 2.395 2.722 . 0 0 "[ . 1 . 2]" 1
96 1 20 PHE H 1 20 PHE HB3 . . 3.460 2.784 2.686 2.875 . 0 0 "[ . 1 . 2]" 1
97 1 20 PHE H 1 20 PHE HB2 . . 3.370 2.331 2.256 2.428 . 0 0 "[ . 1 . 2]" 1
98 1 19 GLN QB 1 20 PHE H . . 3.150 2.371 2.181 2.533 . 0 0 "[ . 1 . 2]" 1
99 1 15 VAL MG1 1 20 PHE H . . 3.680 2.217 1.811 2.583 . 0 0 "[ . 1 . 2]" 1
100 1 96 GLU HA 1 97 ILE H . . 3.070 2.204 2.141 2.281 . 0 0 "[ . 1 . 2]" 1
101 1 97 ILE H 1 97 ILE HB . . 3.430 2.601 2.481 2.752 . 0 0 "[ . 1 . 2]" 1
102 1 97 ILE H 1 97 ILE HG12 . . 4.490 3.977 2.792 4.229 . 0 0 "[ . 1 . 2]" 1
103 1 97 ILE H 1 97 ILE MG . . 4.270 3.830 3.766 3.889 . 0 0 "[ . 1 . 2]" 1
104 1 97 ILE H 1 97 ILE MD . . 4.610 3.748 3.328 3.997 . 0 0 "[ . 1 . 2]" 1
105 1 31 ARG HA 1 32 VAL H . . 3.140 2.183 2.141 2.251 . 0 0 "[ . 1 . 2]" 1
106 1 32 VAL H 1 32 VAL HB . . 3.710 2.824 2.696 2.949 . 0 0 "[ . 1 . 2]" 1
107 1 32 VAL H 1 32 VAL MG2 . . 3.900 2.788 2.584 2.944 . 0 0 "[ . 1 . 2]" 1
108 1 95 GLY H 1 96 GLU H . . 4.030 2.203 1.931 2.676 . 0 0 "[ . 1 . 2]" 1
109 1 96 GLU H 1 96 GLU HB2 . . 3.700 2.525 2.081 2.859 . 0 0 "[ . 1 . 2]" 1
110 1 96 GLU H 1 96 GLU HB3 . . 3.700 2.658 2.341 3.288 . 0 0 "[ . 1 . 2]" 1
111 1 47 VAL HB 1 48 GLN H . . 3.680 3.206 2.899 3.522 . 0 0 "[ . 1 . 2]" 1
112 1 48 GLN H 1 49 SER H . . 3.460 2.896 2.701 3.028 . 0 0 "[ . 1 . 2]" 1
113 1 47 VAL HA 1 48 GLN H . . 3.280 2.168 2.141 2.221 . 0 0 "[ . 1 . 2]" 1
114 1 48 GLN H 1 48 GLN QG . . 3.730 2.746 1.990 3.427 . 0 0 "[ . 1 . 2]" 1
115 1 48 GLN H 1 48 GLN QB . . 3.350 2.258 2.050 2.549 . 0 0 "[ . 1 . 2]" 1
116 1 28 ALA H 1 47 VAL H . . 3.830 3.247 2.984 3.486 . 0 0 "[ . 1 . 2]" 1
117 1 27 PRO HA 1 28 ALA H . . 3.040 2.194 2.154 2.244 . 0 0 "[ . 1 . 2]" 1
118 1 27 PRO HB2 1 28 ALA H . . 4.050 3.276 3.067 3.537 . 0 0 "[ . 1 . 2]" 1
119 1 27 PRO HB3 1 28 ALA H . . 4.050 3.834 3.704 4.003 . 0 0 "[ . 1 . 2]" 1
120 1 28 ALA H 1 28 ALA MB . . 3.580 2.381 2.283 2.467 . 0 0 "[ . 1 . 2]" 1
121 1 28 ALA H 1 46 THR MG . . 4.150 3.126 2.941 3.567 . 0 0 "[ . 1 . 2]" 1
122 1 28 ALA H 1 47 VAL MG2 . . 3.610 2.790 2.583 2.980 . 0 0 "[ . 1 . 2]" 1
123 1 73 LYS H 1 101 SER H . . 3.970 3.180 3.116 3.271 . 0 0 "[ . 1 . 2]" 1
124 1 72 GLN HA 1 73 LYS H . . 2.940 2.201 2.168 2.252 . 0 0 "[ . 1 . 2]" 1
125 1 73 LYS H 1 73 LYS HB2 . . 3.530 2.459 2.397 2.618 . 0 0 "[ . 1 . 2]" 1
126 1 73 LYS H 1 73 LYS QG . . 3.880 3.402 3.117 3.816 . 0 0 "[ . 1 . 2]" 1
127 1 73 LYS H 1 100 LEU MD1 . . 3.760 3.269 2.908 3.756 . 0 0 "[ . 1 . 2]" 1
128 1 60 LYS H 1 60 LYS HB2 . . 3.720 2.299 2.123 2.584 . 0 0 "[ . 1 . 2]" 1
129 1 100 LEU HA 1 101 SER H . . 3.160 2.144 2.139 2.158 . 0 0 "[ . 1 . 2]" 1
130 1 100 LEU MD1 1 101 SER H . . 3.630 2.939 2.484 3.428 . 0 0 "[ . 1 . 2]" 1
131 1 46 THR HA 1 47 VAL H . . 3.100 2.215 2.164 2.339 . 0 0 "[ . 1 . 2]" 1
132 1 47 VAL H 1 47 VAL MG2 . . 3.280 1.958 1.881 2.113 . 0 0 "[ . 1 . 2]" 1
133 1 93 GLY HA2 1 94 ALA H . . 3.490 2.740 2.139 3.326 . 0 0 "[ . 1 . 2]" 1
134 1 93 GLY HA3 1 94 ALA H . . 3.490 2.619 2.142 3.394 . 0 0 "[ . 1 . 2]" 1
135 1 94 ALA H 1 94 ALA MB . . 3.160 2.387 2.036 2.717 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU H 1 14 LEU HB3 . . 3.890 3.595 3.505 3.659 . 0 0 "[ . 1 . 2]" 1
137 1 13 ALA H 1 14 LEU H . . 3.890 3.186 1.891 3.877 . 0 0 "[ . 1 . 2]" 1
138 1 13 ALA HA 1 14 LEU H . . 3.350 2.523 2.248 2.853 . 0 0 "[ . 1 . 2]" 1
139 1 14 LEU H 1 14 LEU HG . . 3.050 2.800 2.313 3.002 . 0 0 "[ . 1 . 2]" 1
140 1 14 LEU H 1 14 LEU HB2 . . 3.050 2.368 2.198 2.543 . 0 0 "[ . 1 . 2]" 1
141 1 13 ALA MB 1 14 LEU H . . 3.880 3.661 3.573 3.719 . 0 0 "[ . 1 . 2]" 1
142 1 32 VAL H 1 43 MET H . . 3.990 3.028 2.810 3.175 . 0 0 "[ . 1 . 2]" 1
143 1 42 PHE HA 1 43 MET H . . 3.210 2.481 2.421 2.493 . 0 0 "[ . 1 . 2]" 1
144 1 42 PHE HB2 1 43 MET H . . 3.640 2.266 2.236 2.398 . 0 0 "[ . 1 . 2]" 1
145 1 42 PHE HB3 1 43 MET H . . 3.640 3.520 3.445 3.616 . 0 0 "[ . 1 . 2]" 1
146 1 43 MET H 1 43 MET ME . . 4.510 2.896 2.490 4.136 . 0 0 "[ . 1 . 2]" 1
147 1 33 SER HA 1 34 LYS H . . 3.000 2.298 2.178 2.377 . 0 0 "[ . 1 . 2]" 1
148 1 34 LYS H 1 34 LYS HB2 . . 3.770 2.414 2.197 3.586 . 0 0 "[ . 1 . 2]" 1
149 1 34 LYS H 1 34 LYS HB3 . . 3.770 3.526 2.734 3.603 . 0 0 "[ . 1 . 2]" 1
150 1 86 SER HB2 1 88 ALA H . . 3.870 3.472 3.076 3.797 . 0 0 "[ . 1 . 2]" 1
151 1 86 SER HB3 1 88 ALA H . . 3.870 3.190 2.937 3.513 . 0 0 "[ . 1 . 2]" 1
152 1 87 LEU HB2 1 88 ALA H . . 3.840 2.501 2.311 2.715 . 0 0 "[ . 1 . 2]" 1
153 1 50 LEU HB3 1 88 ALA H . . 3.240 2.925 2.475 3.238 . 0 0 "[ . 1 . 2]" 1
154 1 88 ALA H 1 88 ALA MB . . 2.900 2.089 2.026 2.234 . 0 0 "[ . 1 . 2]" 1
155 1 101 SER HA 1 102 LEU H . . 3.240 2.214 2.162 2.306 . 0 0 "[ . 1 . 2]" 1
156 1 102 LEU H 1 102 LEU HB3 . . 3.810 2.893 2.441 3.313 . 0 0 "[ . 1 . 2]" 1
157 1 21 LEU H 1 22 ALA H . . 3.590 2.983 2.813 3.072 . 0 0 "[ . 1 . 2]" 1
158 1 19 GLN HA 1 22 ALA H . . 3.730 3.640 3.407 3.728 . 0 0 "[ . 1 . 2]" 1
159 1 21 LEU HB2 1 22 ALA H . . 3.680 3.214 3.000 3.498 . 0 0 "[ . 1 . 2]" 1
160 1 21 LEU HB3 1 22 ALA H . . 3.680 2.118 1.906 2.430 . 0 0 "[ . 1 . 2]" 1
161 1 22 ALA H 1 22 ALA MB . . 3.010 2.180 2.034 2.233 . 0 0 "[ . 1 . 2]" 1
162 1 79 GLY HA2 1 80 PHE H . . 3.490 2.704 2.586 2.802 . 0 0 "[ . 1 . 2]" 1
163 1 79 GLY HA3 1 80 PHE H . . 3.490 2.431 2.349 2.540 . 0 0 "[ . 1 . 2]" 1
164 1 80 PHE H 1 80 PHE HB2 . . 3.760 2.348 2.158 2.536 . 0 0 "[ . 1 . 2]" 1
165 1 80 PHE H 1 80 PHE HB3 . . 3.760 3.564 3.471 3.610 . 0 0 "[ . 1 . 2]" 1
166 1 91 ASN H 1 92 VAL H . . 3.600 2.715 2.555 3.120 . 0 0 "[ . 1 . 2]" 1
167 1 92 VAL H 1 92 VAL HB . . 3.330 2.650 2.536 2.897 . 0 0 "[ . 1 . 2]" 1
168 1 92 VAL H 1 92 VAL QG . . 3.220 2.576 2.004 2.957 . 0 0 "[ . 1 . 2]" 1
169 1 87 LEU H 1 88 ALA H . . 3.640 2.439 2.305 2.946 . 0 0 "[ . 1 . 2]" 1
170 1 53 ASN HA 1 87 LEU H . . 4.310 4.021 3.316 4.218 . 0 0 "[ . 1 . 2]" 1
171 1 86 SER HA 1 87 LEU H . . 3.510 2.555 2.370 2.656 . 0 0 "[ . 1 . 2]" 1
172 1 86 SER HB2 1 87 LEU H . . 3.580 3.171 3.008 3.478 . 0 0 "[ . 1 . 2]" 1
173 1 86 SER HB3 1 87 LEU H . . 3.580 2.220 1.939 2.621 . 0 0 "[ . 1 . 2]" 1
174 1 87 LEU H 1 87 LEU HB2 . . 3.550 2.553 2.340 2.637 . 0 0 "[ . 1 . 2]" 1
175 1 87 LEU H 1 87 LEU HG . . 3.530 2.345 2.184 3.498 . 0 0 "[ . 1 . 2]" 1
176 1 87 LEU H 1 87 LEU HB3 . . 3.860 3.625 3.562 3.644 . 0 0 "[ . 1 . 2]" 1
177 1 87 LEU H 1 87 LEU MD2 . . 4.030 3.261 1.935 3.506 . 0 0 "[ . 1 . 2]" 1
178 1 58 LYS H 1 59 GLU H . . 3.810 2.785 2.657 2.996 . 0 0 "[ . 1 . 2]" 1
179 1 59 GLU H 1 59 GLU HG3 . . 3.800 2.238 2.026 2.464 . 0 0 "[ . 1 . 2]" 1
180 1 59 GLU H 1 59 GLU HG2 . . 3.420 3.256 2.795 3.418 . 0 0 "[ . 1 . 2]" 1
181 1 59 GLU H 1 59 GLU QB . . 3.140 2.464 2.371 2.629 . 0 0 "[ . 1 . 2]" 1
182 1 82 LYS HA 1 83 ASP H . . 3.320 2.174 2.159 2.214 . 0 0 "[ . 1 . 2]" 1
183 1 37 GLU H 1 37 GLU HB3 . . 3.950 3.395 2.225 3.960 0.010 3 0 "[ . 1 . 2]" 1
184 1 64 GLU H 1 65 ILE H . . 3.330 2.709 2.591 2.834 . 0 0 "[ . 1 . 2]" 1
185 1 64 GLU H 1 64 GLU HG2 . . 4.260 2.448 2.272 2.693 . 0 0 "[ . 1 . 2]" 1
186 1 64 GLU H 1 64 GLU HB2 . . 3.320 2.393 2.260 2.486 . 0 0 "[ . 1 . 2]" 1
187 1 67 ILE H 1 67 ILE HB . . 3.720 2.733 2.624 2.807 . 0 0 "[ . 1 . 2]" 1
188 1 65 ILE HG13 1 67 ILE H . . 3.830 2.093 1.903 2.376 . 0 0 "[ . 1 . 2]" 1
189 1 20 PHE HB3 1 21 LEU H . . 3.870 2.663 2.538 2.797 . 0 0 "[ . 1 . 2]" 1
190 1 21 LEU H 1 21 LEU HB2 . . 3.600 2.144 2.046 2.345 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU H 1 21 LEU HB3 . . 3.600 2.980 2.676 3.216 . 0 0 "[ . 1 . 2]" 1
192 1 71 LYS H 1 72 GLN H . . 3.290 2.901 2.776 3.085 . 0 0 "[ . 1 . 2]" 1
193 1 71 LYS H 1 71 LYS HB3 . . 3.770 3.438 3.375 3.514 . 0 0 "[ . 1 . 2]" 1
194 1 71 LYS H 1 71 LYS HB2 . . 3.460 2.131 2.089 2.218 . 0 0 "[ . 1 . 2]" 1
195 1 71 LYS H 1 71 LYS HG2 . . 4.420 4.054 2.984 4.423 0.003 11 0 "[ . 1 . 2]" 1
196 1 71 LYS H 1 71 LYS HG3 . . 4.420 3.492 3.174 3.895 . 0 0 "[ . 1 . 2]" 1
197 1 78 ALA H 1 78 ALA MB . . 3.400 2.205 2.034 2.270 . 0 0 "[ . 1 . 2]" 1
198 1 55 GLY H 1 56 SER H . . 3.800 2.806 2.538 2.966 . 0 0 "[ . 1 . 2]" 1
199 1 56 SER H 1 57 LEU H . . 3.470 2.741 2.557 3.063 . 0 0 "[ . 1 . 2]" 1
200 1 56 SER H 1 56 SER HB2 . . 3.370 2.223 2.072 2.762 . 0 0 "[ . 1 . 2]" 1
201 1 56 SER H 1 56 SER HB3 . . 3.370 3.041 2.339 3.369 . 0 0 "[ . 1 . 2]" 1
202 1 42 PHE H 1 42 PHE QD . . 4.190 2.846 2.291 3.148 . 0 0 "[ . 1 . 2]" 1
203 1 41 GLN HA 1 42 PHE H . . 2.930 2.307 2.142 2.565 . 0 0 "[ . 1 . 2]" 1
204 1 42 PHE H 1 42 PHE HB3 . . 3.810 3.195 2.850 3.457 . 0 0 "[ . 1 . 2]" 1
205 1 41 GLN HB2 1 42 PHE H . . 4.340 3.462 2.289 4.314 . 0 0 "[ . 1 . 2]" 1
206 1 72 GLN H 1 72 GLN HG2 . . 3.790 2.470 2.146 2.659 . 0 0 "[ . 1 . 2]" 1
207 1 72 GLN H 1 72 GLN HB3 . . 3.300 2.660 2.487 2.813 . 0 0 "[ . 1 . 2]" 1
208 1 84 ASN H 1 85 MET H . . 3.580 2.609 2.433 2.759 . 0 0 "[ . 1 . 2]" 1
209 1 85 MET H 1 85 MET HB2 . . 3.160 2.257 2.069 2.451 . 0 0 "[ . 1 . 2]" 1
210 1 28 ALA MB 1 29 THR H . . 3.720 2.999 2.512 3.238 . 0 0 "[ . 1 . 2]" 1
211 1 57 LEU H 1 58 LYS H . . 3.580 2.780 2.574 2.976 . 0 0 "[ . 1 . 2]" 1
212 1 57 LEU HB2 1 58 LYS H . . 3.750 3.384 2.981 3.714 . 0 0 "[ . 1 . 2]" 1
213 1 58 LYS H 1 58 LYS HB2 . . 3.670 2.443 2.141 2.693 . 0 0 "[ . 1 . 2]" 1
214 1 58 LYS H 1 58 LYS HB3 . . 3.670 3.570 3.457 3.613 . 0 0 "[ . 1 . 2]" 1
215 1 57 LEU HB3 1 58 LYS H . . 3.750 2.550 2.176 3.069 . 0 0 "[ . 1 . 2]" 1
216 1 98 LEU HA 1 99 THR H . . 3.220 2.318 2.236 2.359 . 0 0 "[ . 1 . 2]" 1
217 1 98 LEU HB3 1 99 THR H . . 3.890 2.651 2.553 2.878 . 0 0 "[ . 1 . 2]" 1
218 1 98 LEU MD2 1 99 THR H . . 3.770 3.581 3.374 3.754 . 0 0 "[ . 1 . 2]" 1
219 1 52 GLU HA 1 53 ASN H . . 3.030 2.356 2.304 2.683 . 0 0 "[ . 1 . 2]" 1
220 1 52 GLU QB 1 53 ASN H . . 3.840 2.539 1.897 2.663 . 0 0 "[ . 1 . 2]" 1
221 1 23 GLN HA 1 24 HIS H . . 3.540 3.500 3.489 3.508 . 0 0 "[ . 1 . 2]" 1
222 1 24 HIS H 1 25 PRO HD3 . . 3.800 3.755 3.732 3.789 . 0 0 "[ . 1 . 2]" 1
223 1 24 HIS H 1 24 HIS HB2 . . 3.620 2.990 2.926 3.070 . 0 0 "[ . 1 . 2]" 1
224 1 12 SER H 1 12 SER QB . . 3.890 2.347 2.067 2.999 . 0 0 "[ . 1 . 2]" 1
225 1 86 SER H 1 86 SER HB3 . . 3.840 3.674 3.630 3.715 . 0 0 "[ . 1 . 2]" 1
226 1 86 SER H 1 89 HIS HB3 . . 3.930 3.422 2.473 3.805 . 0 0 "[ . 1 . 2]" 1
227 1 85 MET HB3 1 86 SER H . . 3.750 2.730 2.470 3.003 . 0 0 "[ . 1 . 2]" 1
228 1 66 GLN H 1 67 ILE H . . 3.790 2.686 2.606 2.765 . 0 0 "[ . 1 . 2]" 1
229 1 66 GLN H 1 66 GLN QG . . 3.360 3.105 2.979 3.292 . 0 0 "[ . 1 . 2]" 1
230 1 35 PRO HA 1 36 ASN H . . 3.350 2.636 2.184 3.350 0.000 7 0 "[ . 1 . 2]" 1
231 1 74 LEU HA 1 75 SER H . . 3.050 2.162 2.145 2.183 . 0 0 "[ . 1 . 2]" 1
232 1 74 LEU MD2 1 75 SER H . . 3.810 2.891 2.684 3.090 . 0 0 "[ . 1 . 2]" 1
233 1 50 LEU H 1 51 SER H . . 3.940 2.564 2.329 2.893 . 0 0 "[ . 1 . 2]" 1
234 1 51 SER H 1 51 SER HB2 . . 3.900 2.500 2.129 3.598 . 0 0 "[ . 1 . 2]" 1
235 1 51 SER H 1 51 SER HB3 . . 3.900 2.756 2.317 3.134 . 0 0 "[ . 1 . 2]" 1
236 1 21 LEU QD 1 51 SER H . . 3.830 2.367 1.938 3.021 . 0 0 "[ . 1 . 2]" 1
237 1 20 PHE HA 1 23 GLN H . . 3.910 3.749 3.555 3.897 . 0 0 "[ . 1 . 2]" 1
238 1 23 GLN H 1 23 GLN HG2 . . 4.220 3.029 2.521 3.421 . 0 0 "[ . 1 . 2]" 1
239 1 23 GLN H 1 23 GLN HB2 . . 3.820 2.426 2.261 2.558 . 0 0 "[ . 1 . 2]" 1
240 1 23 GLN H 1 23 GLN HB3 . . 3.820 3.600 3.541 3.623 . 0 0 "[ . 1 . 2]" 1
241 1 22 ALA MB 1 23 GLN H . . 3.340 2.474 2.350 2.603 . 0 0 "[ . 1 . 2]" 1
242 1 90 TYR H 1 91 ASN H . . 3.110 2.565 2.402 2.675 . 0 0 "[ . 1 . 2]" 1
243 1 91 ASN H 1 91 ASN HD21 . . 3.390 3.309 3.060 3.392 0.002 3 0 "[ . 1 . 2]" 1
244 1 70 ASN H 1 70 ASN HB2 . . 4.150 2.124 2.065 2.405 . 0 0 "[ . 1 . 2]" 1
245 1 91 ASN HA 1 91 ASN HD21 . . 3.990 2.370 2.108 2.579 . 0 0 "[ . 1 . 2]" 1
246 1 90 TYR H 1 90 TYR QD . . 3.780 3.324 2.901 3.639 . 0 0 "[ . 1 . 2]" 1
247 1 89 HIS HB2 1 90 TYR H . . 4.200 3.648 3.220 3.978 . 0 0 "[ . 1 . 2]" 1
248 1 90 TYR H 1 90 TYR HB2 . . 3.760 2.250 2.138 2.342 . 0 0 "[ . 1 . 2]" 1
249 1 90 TYR H 1 90 TYR HB3 . . 3.760 3.528 3.413 3.581 . 0 0 "[ . 1 . 2]" 1
250 1 92 VAL HA 1 93 GLY H . . 3.000 2.152 2.144 2.215 . 0 0 "[ . 1 . 2]" 1
251 1 92 VAL QG 1 93 GLY H . . 3.650 2.622 2.096 2.927 . 0 0 "[ . 1 . 2]" 1
252 1 75 SER HA 1 76 GLY H . . 3.020 2.179 2.154 2.219 . 0 0 "[ . 1 . 2]" 1
253 1 76 GLY H 1 80 PHE HA . . 4.270 3.448 3.170 3.709 . 0 0 "[ . 1 . 2]" 1
254 1 64 GLU HB2 1 65 ILE H . . 3.430 2.378 2.219 2.498 . 0 0 "[ . 1 . 2]" 1
255 1 65 ILE H 1 65 ILE HG12 . . 3.600 2.125 1.973 2.288 . 0 0 "[ . 1 . 2]" 1
256 1 65 ILE H 1 65 ILE HG13 . . 3.970 3.422 3.191 3.625 . 0 0 "[ . 1 . 2]" 1
257 1 94 ALA HA 1 95 GLY H . . 3.530 2.610 2.400 2.767 . 0 0 "[ . 1 . 2]" 1
258 1 40 GLY H 1 41 GLN H . . 4.070 3.109 1.804 4.045 . 0 0 "[ . 1 . 2]" 1
259 1 54 VAL H 1 55 GLY H . . 4.010 2.892 2.727 2.985 . 0 0 "[ . 1 . 2]" 1
260 1 55 GLY H 1 83 ASP HA . . 3.570 2.201 1.912 2.496 . 0 0 "[ . 1 . 2]" 1
261 1 54 VAL HB 1 55 GLY H . . 3.780 2.831 2.597 3.197 . 0 0 "[ . 1 . 2]" 1
262 1 99 THR HA 1 100 LEU H . . 3.220 2.221 2.177 2.267 . 0 0 "[ . 1 . 2]" 1
263 1 100 LEU H 1 100 LEU HB2 . . 3.720 3.047 2.899 3.245 . 0 0 "[ . 1 . 2]" 1
264 1 100 LEU H 1 100 LEU HB3 . . 3.720 2.477 2.389 2.538 . 0 0 "[ . 1 . 2]" 1
265 1 99 THR MG 1 100 LEU H . . 3.760 2.156 1.896 2.490 . 0 0 "[ . 1 . 2]" 1
266 1 47 VAL HB 1 49 SER H . . 3.670 2.760 2.583 2.938 . 0 0 "[ . 1 . 2]" 1
267 1 48 GLN QB 1 49 SER H . . 3.720 2.749 2.541 3.319 . 0 0 "[ . 1 . 2]" 1
268 1 47 VAL MG2 1 49 SER H . . 3.800 3.214 2.693 3.775 . 0 0 "[ . 1 . 2]" 1
269 1 78 ALA H 1 79 GLY H . . 3.390 2.603 2.449 2.729 . 0 0 "[ . 1 . 2]" 1
270 1 76 GLY H 1 79 GLY H . . 4.000 2.989 2.825 3.151 . 0 0 "[ . 1 . 2]" 1
271 1 11 GLU H 1 11 GLU HG3 . . 4.480 3.488 2.618 4.265 . 0 0 "[ . 1 . 2]" 1
272 1 11 GLU H 1 11 GLU HG2 . . 4.480 3.963 3.476 4.455 . 0 0 "[ . 1 . 2]" 1
273 1 10 ASP HB3 1 11 GLU H . . 5.090 3.379 2.711 4.288 . 0 0 "[ . 1 . 2]" 1
274 1 10 ASP HB2 1 11 GLU H . . 5.090 4.133 2.777 4.595 . 0 0 "[ . 1 . 2]" 1
275 1 11 GLU HB3 1 12 SER H . . 5.500 3.262 2.440 4.322 . 0 0 "[ . 1 . 2]" 1
276 1 11 GLU HB2 1 12 SER H . . 5.500 3.363 2.717 4.635 . 0 0 "[ . 1 . 2]" 1
277 1 12 SER H 1 13 ALA H . . 4.260 2.729 1.880 3.344 . 0 0 "[ . 1 . 2]" 1
278 1 11 GLU H 1 12 SER H . . 4.400 2.945 2.025 4.022 . 0 0 "[ . 1 . 2]" 1
279 1 13 ALA H 1 14 LEU HG . . 5.400 3.754 2.668 4.544 . 0 0 "[ . 1 . 2]" 1
280 1 12 SER QB 1 13 ALA H . . 4.790 2.998 2.360 3.900 . 0 0 "[ . 1 . 2]" 1
281 1 11 GLU HA 1 13 ALA H . . 5.200 4.205 3.570 4.860 . 0 0 "[ . 1 . 2]" 1
282 1 14 LEU H 1 14 LEU MD2 . . 4.090 3.970 3.630 4.086 . 0 0 "[ . 1 . 2]" 1
283 1 14 LEU H 1 14 LEU MD1 . . 3.900 3.460 2.731 3.876 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU H 1 15 VAL H . . 5.250 4.580 4.503 4.631 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU MD2 1 15 VAL H . . 4.030 3.208 2.813 3.606 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU HB2 1 15 VAL H . . 4.400 3.955 3.751 4.215 . 0 0 "[ . 1 . 2]" 1
287 1 15 VAL H 1 20 PHE HB2 . . 5.500 5.162 4.674 5.442 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL H 1 16 PRO HD2 . . 4.860 4.828 4.818 4.841 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL H 1 91 ASN HD21 . . 4.420 3.477 3.149 3.821 . 0 0 "[ . 1 . 2]" 1
290 1 16 PRO HB2 1 17 GLU H . . 4.080 3.122 2.710 3.482 . 0 0 "[ . 1 . 2]" 1
291 1 16 PRO HB3 1 17 GLU H . . 4.120 3.742 3.505 3.968 . 0 0 "[ . 1 . 2]" 1
292 1 17 GLU H 1 89 HIS HA . . 4.460 3.390 2.886 3.833 . 0 0 "[ . 1 . 2]" 1
293 1 16 PRO HB2 1 18 ASP H . . 4.460 2.301 2.154 2.491 . 0 0 "[ . 1 . 2]" 1
294 1 17 GLU HG2 1 18 ASP H . . 4.100 3.853 3.586 4.062 . 0 0 "[ . 1 . 2]" 1
295 1 18 ASP H 1 18 ASP HB3 . . 4.070 3.200 2.691 3.400 . 0 0 "[ . 1 . 2]" 1
296 1 18 ASP H 1 20 PHE H . . 4.230 4.155 3.983 4.230 0.000 3 0 "[ . 1 . 2]" 1
297 1 15 VAL MG1 1 19 GLN H . . 4.580 3.496 3.289 3.783 . 0 0 "[ . 1 . 2]" 1
298 1 18 ASP HB2 1 19 GLN H . . 4.480 3.176 2.873 3.686 . 0 0 "[ . 1 . 2]" 1
299 1 19 GLN H 1 20 PHE HB3 . . 5.240 4.777 4.529 5.032 . 0 0 "[ . 1 . 2]" 1
300 1 17 GLU HA 1 19 GLN H . . 4.660 4.430 4.195 4.638 . 0 0 "[ . 1 . 2]" 1
301 1 20 PHE H 1 20 PHE QD . . 4.390 4.095 4.001 4.175 . 0 0 "[ . 1 . 2]" 1
302 1 21 LEU H 1 21 LEU QD . . 4.360 3.336 2.999 3.562 . 0 0 "[ . 1 . 2]" 1
303 1 15 VAL MG1 1 21 LEU H . . 5.480 4.530 4.107 4.873 . 0 0 "[ . 1 . 2]" 1
304 1 20 PHE HB2 1 21 LEU H . . 4.160 3.809 3.688 3.955 . 0 0 "[ . 1 . 2]" 1
305 1 20 PHE QD 1 21 LEU H . . 4.660 3.747 3.483 4.024 . 0 0 "[ . 1 . 2]" 1
306 1 19 GLN H 1 21 LEU H . . 4.700 3.936 3.736 4.075 . 0 0 "[ . 1 . 2]" 1
307 1 21 LEU H 1 23 GLN H . . 5.090 4.155 4.032 4.290 . 0 0 "[ . 1 . 2]" 1
308 1 21 LEU QD 1 22 ALA H . . 4.890 3.548 3.313 3.748 . 0 0 "[ . 1 . 2]" 1
309 1 18 ASP HA 1 22 ALA H . . 5.170 4.957 4.664 5.148 . 0 0 "[ . 1 . 2]" 1
310 1 23 GLN H 1 24 HIS HD2 . . 5.300 5.185 5.046 5.299 . 0 0 "[ . 1 . 2]" 1
311 1 20 PHE H 1 23 GLN H . . 5.500 4.823 4.694 4.908 . 0 0 "[ . 1 . 2]" 1
312 1 22 ALA H 1 23 GLN H . . 3.460 2.768 2.579 2.889 . 0 0 "[ . 1 . 2]" 1
313 1 21 LEU QD 1 24 HIS H . . 5.500 5.125 4.518 5.396 . 0 0 "[ . 1 . 2]" 1
314 1 24 HIS H 1 50 LEU MD1 . . 5.090 3.961 3.681 4.414 . 0 0 "[ . 1 . 2]" 1
315 1 22 ALA MB 1 24 HIS H . . 4.470 4.232 4.199 4.269 . 0 0 "[ . 1 . 2]" 1
316 1 23 GLN HB3 1 24 HIS H . . 4.070 3.575 3.416 3.696 . 0 0 "[ . 1 . 2]" 1
317 1 23 GLN HB2 1 24 HIS H . . 4.070 2.922 2.824 3.045 . 0 0 "[ . 1 . 2]" 1
318 1 24 HIS H 1 24 HIS HB3 . . 4.080 3.845 3.830 3.858 . 0 0 "[ . 1 . 2]" 1
319 1 24 HIS H 1 25 PRO HA . . 5.430 4.659 4.635 4.698 . 0 0 "[ . 1 . 2]" 1
320 1 24 HIS H 1 24 HIS HD2 . . 4.650 3.392 3.263 3.488 . 0 0 "[ . 1 . 2]" 1
321 1 22 ALA H 1 24 HIS H . . 4.560 4.250 4.138 4.325 . 0 0 "[ . 1 . 2]" 1
322 1 25 PRO HB2 1 26 GLY H . . 4.050 2.654 2.311 3.308 . 0 0 "[ . 1 . 2]" 1
323 1 26 GLY H 1 27 PRO QD . . 4.440 4.286 4.222 4.311 . 0 0 "[ . 1 . 2]" 1
324 1 28 ALA H 1 48 GLN HA . . 5.040 4.808 4.430 5.037 . 0 0 "[ . 1 . 2]" 1
325 1 28 ALA H 1 46 THR HA . . 5.100 4.773 4.474 4.982 . 0 0 "[ . 1 . 2]" 1
326 1 29 THR H 1 94 ALA MB . . 4.010 3.199 2.654 3.894 . 0 0 "[ . 1 . 2]" 1
327 1 29 THR H 1 46 THR HA . . 5.080 4.562 4.407 4.746 . 0 0 "[ . 1 . 2]" 1
328 1 30 ILE H 1 30 ILE MD . . 4.800 3.373 2.436 3.833 . 0 0 "[ . 1 . 2]" 1
329 1 30 ILE H 1 30 ILE MG . . 3.940 3.810 3.658 3.895 . 0 0 "[ . 1 . 2]" 1
330 1 30 ILE H 1 30 ILE HG13 . . 4.330 3.865 3.516 4.218 . 0 0 "[ . 1 . 2]" 1
331 1 30 ILE H 1 45 ILE HB . . 4.560 4.141 3.849 4.397 . 0 0 "[ . 1 . 2]" 1
332 1 29 THR HB 1 30 ILE H . . 5.200 4.255 3.873 4.350 . 0 0 "[ . 1 . 2]" 1
333 1 30 ILE H 1 46 THR HA . . 3.940 2.523 2.130 3.027 . 0 0 "[ . 1 . 2]" 1
334 1 30 ILE MD 1 31 ARG H . . 4.700 3.706 3.387 4.759 0.059 18 0 "[ . 1 . 2]" 1
335 1 31 ARG H 1 31 ARG HB3 . . 4.160 3.597 3.488 3.754 . 0 0 "[ . 1 . 2]" 1
336 1 30 ILE HB 1 31 ARG H . . 4.270 4.132 3.802 4.265 . 0 0 "[ . 1 . 2]" 1
337 1 31 ARG H 1 97 ILE HA . . 4.540 3.647 3.355 4.006 . 0 0 "[ . 1 . 2]" 1
338 1 31 ARG HB3 1 32 VAL H . . 4.350 3.167 2.864 3.514 . 0 0 "[ . 1 . 2]" 1
339 1 32 VAL H 1 42 PHE HB3 . . 4.820 4.536 4.222 4.821 0.001 5 0 "[ . 1 . 2]" 1
340 1 32 VAL H 1 42 PHE HB2 . . 4.820 3.005 2.673 3.269 . 0 0 "[ . 1 . 2]" 1
341 1 33 SER H 1 99 THR MG . . 5.290 4.399 3.972 4.944 . 0 0 "[ . 1 . 2]" 1
342 1 33 SER H 1 98 LEU HB2 . . 4.940 4.609 4.302 4.939 . 0 0 "[ . 1 . 2]" 1
343 1 32 VAL HB 1 33 SER H . . 4.440 3.991 3.797 4.172 . 0 0 "[ . 1 . 2]" 1
344 1 33 SER H 1 43 MET ME . . 5.020 3.892 3.595 4.450 . 0 0 "[ . 1 . 2]" 1
345 1 33 SER H 1 33 SER HB2 . . 4.160 2.988 2.422 3.620 . 0 0 "[ . 1 . 2]" 1
346 1 34 LYS H 1 35 PRO QD . . 5.010 4.365 4.355 4.372 . 0 0 "[ . 1 . 2]" 1
347 1 33 SER HB3 1 34 LYS H . . 4.470 3.835 2.514 4.336 . 0 0 "[ . 1 . 2]" 1
348 1 34 LYS H 1 42 PHE HA . . 4.100 3.500 2.828 3.820 . 0 0 "[ . 1 . 2]" 1
349 1 35 PRO HB3 1 36 ASN H . . 4.520 4.005 3.231 4.498 . 0 0 "[ . 1 . 2]" 1
350 1 37 GLU H 1 37 GLU HB2 . . 3.950 2.821 2.092 3.611 . 0 0 "[ . 1 . 2]" 1
351 1 37 GLU H 1 37 GLU QG . . 3.910 3.225 1.910 3.938 0.028 11 0 "[ . 1 . 2]" 1
352 1 36 ASN QB 1 37 GLU H . . 4.290 2.778 1.885 3.881 . 0 0 "[ . 1 . 2]" 1
353 1 36 ASN H 1 37 GLU H . . 4.610 3.901 2.495 4.569 . 0 0 "[ . 1 . 2]" 1
354 1 37 GLU H 1 38 ASN H . . 5.050 3.789 2.576 4.590 . 0 0 "[ . 1 . 2]" 1
355 1 39 ASP QB 1 40 GLY H . . 4.690 3.159 2.709 4.006 . 0 0 "[ . 1 . 2]" 1
356 1 41 GLN H 1 41 GLN HG2 . . 4.070 3.104 2.129 4.061 . 0 0 "[ . 1 . 2]" 1
357 1 42 PHE H 1 42 PHE HB2 . . 3.810 3.669 3.559 3.784 . 0 0 "[ . 1 . 2]" 1
358 1 32 VAL HB 1 43 MET H . . 4.220 3.795 3.565 3.897 . 0 0 "[ . 1 . 2]" 1
359 1 33 SER HA 1 43 MET H . . 3.990 3.878 3.764 3.967 . 0 0 "[ . 1 . 2]" 1
360 1 42 PHE QD 1 43 MET H . . 4.680 3.524 3.278 3.707 . 0 0 "[ . 1 . 2]" 1
361 1 30 ILE HB 1 45 ILE H . . 4.390 4.026 3.396 4.386 . 0 0 "[ . 1 . 2]" 1
362 1 31 ARG HA 1 45 ILE H . . 4.370 3.484 3.134 3.890 . 0 0 "[ . 1 . 2]" 1
363 1 45 ILE QG 1 46 THR H . . 4.780 4.744 4.696 4.784 0.004 9 0 "[ . 1 . 2]" 1
364 1 45 ILE HB 1 46 THR H . . 5.500 4.406 4.349 4.452 . 0 0 "[ . 1 . 2]" 1
365 1 29 THR HA 1 46 THR H . . 4.420 4.215 4.016 4.369 . 0 0 "[ . 1 . 2]" 1
366 1 28 ALA MB 1 47 VAL H . . 4.820 4.099 3.957 4.265 . 0 0 "[ . 1 . 2]" 1
367 1 46 THR HB 1 47 VAL H . . 4.590 3.919 3.614 4.084 . 0 0 "[ . 1 . 2]" 1
368 1 29 THR HA 1 47 VAL H . . 3.740 3.672 3.552 3.743 0.003 20 0 "[ . 1 . 2]" 1
369 1 47 VAL MG1 1 48 GLN H . . 4.190 3.871 3.630 4.043 . 0 0 "[ . 1 . 2]" 1
370 1 50 LEU H 1 50 LEU MD2 . . 3.900 3.659 3.295 3.833 . 0 0 "[ . 1 . 2]" 1
371 1 21 LEU QD 1 50 LEU H . . 3.930 3.507 3.061 3.927 . 0 0 "[ . 1 . 2]" 1
372 1 50 LEU H 1 50 LEU HB3 . . 3.950 3.580 3.567 3.623 . 0 0 "[ . 1 . 2]" 1
373 1 49 SER HB2 1 50 LEU H . . 4.760 3.974 3.806 4.192 . 0 0 "[ . 1 . 2]" 1
374 1 51 SER H 1 88 ALA MB . . 4.950 3.921 3.662 4.655 . 0 0 "[ . 1 . 2]" 1
375 1 21 LEU HG 1 51 SER H . . 5.080 4.075 2.942 4.989 . 0 0 "[ . 1 . 2]" 1
376 1 50 LEU HB3 1 51 SER H . . 5.410 3.661 3.488 4.406 . 0 0 "[ . 1 . 2]" 1
377 1 50 LEU HB2 1 51 SER H . . 4.560 2.763 2.587 4.096 . 0 0 "[ . 1 . 2]" 1
378 1 51 SER H 1 52 GLU QB . . 5.420 4.759 4.260 4.862 . 0 0 "[ . 1 . 2]" 1
379 1 51 SER H 1 87 LEU HB2 . . 5.500 5.126 4.064 5.430 . 0 0 "[ . 1 . 2]" 1
380 1 49 SER HB3 1 51 SER H . . 4.670 3.185 2.698 3.996 . 0 0 "[ . 1 . 2]" 1
381 1 47 VAL MG2 1 52 GLU H . . 4.820 4.515 4.271 4.817 . 0 0 "[ . 1 . 2]" 1
382 1 21 LEU QD 1 52 GLU H . . 5.500 4.401 4.095 4.642 . 0 0 "[ . 1 . 2]" 1
383 1 52 GLU H 1 87 LEU MD1 . . 5.500 4.134 3.778 5.123 . 0 0 "[ . 1 . 2]" 1
384 1 50 LEU HA 1 52 GLU H . . 3.830 3.600 3.413 3.722 . 0 0 "[ . 1 . 2]" 1
385 1 52 GLU HG2 1 53 ASN H . . 5.050 4.701 4.320 4.937 . 0 0 "[ . 1 . 2]" 1
386 1 53 ASN H 1 53 ASN HB2 . . 4.080 3.027 2.594 3.655 . 0 0 "[ . 1 . 2]" 1
387 1 52 GLU H 1 53 ASN H . . 5.030 4.641 4.524 4.650 . 0 0 "[ . 1 . 2]" 1
388 1 54 VAL H 1 87 LEU MD2 . . 4.220 3.414 3.003 3.778 . 0 0 "[ . 1 . 2]" 1
389 1 54 VAL H 1 83 ASP HA . . 4.430 3.586 2.965 4.010 . 0 0 "[ . 1 . 2]" 1
390 1 54 VAL H 1 86 SER HA . . 4.240 2.839 2.577 3.229 . 0 0 "[ . 1 . 2]" 1
391 1 54 VAL H 1 56 SER H . . 5.210 4.639 4.446 4.887 . 0 0 "[ . 1 . 2]" 1
392 1 54 VAL H 1 87 LEU H . . 5.500 4.441 4.172 4.791 . 0 0 "[ . 1 . 2]" 1
393 1 54 VAL MG2 1 55 GLY H . . 4.740 3.950 3.767 4.088 . 0 0 "[ . 1 . 2]" 1
394 1 54 VAL MG1 1 55 GLY H . . 4.740 3.531 3.100 3.943 . 0 0 "[ . 1 . 2]" 1
395 1 53 ASN HB3 1 55 GLY H . . 4.720 3.495 2.892 4.549 . 0 0 "[ . 1 . 2]" 1
396 1 53 ASN HB2 1 55 GLY H . . 4.720 2.866 2.400 3.341 . 0 0 "[ . 1 . 2]" 1
397 1 53 ASN H 1 56 SER H . . 4.190 3.880 3.630 4.093 . 0 0 "[ . 1 . 2]" 1
398 1 58 LYS H 1 74 LEU MD1 . . 4.090 3.244 2.828 3.500 . 0 0 "[ . 1 . 2]" 1
399 1 58 LYS H 1 69 ALA MB . . 5.040 4.285 4.132 4.442 . 0 0 "[ . 1 . 2]" 1
400 1 58 LYS H 1 59 GLU HG3 . . 4.690 4.381 4.107 4.678 . 0 0 "[ . 1 . 2]" 1
401 1 59 GLU H 1 69 ALA MB . . 4.580 3.802 3.637 3.992 . 0 0 "[ . 1 . 2]" 1
402 1 59 GLU H 1 62 ALA MB . . 4.430 4.124 4.012 4.300 . 0 0 "[ . 1 . 2]" 1
403 1 58 LYS HB3 1 59 GLU H . . 4.080 3.679 3.216 3.917 . 0 0 "[ . 1 . 2]" 1
404 1 58 LYS HB2 1 59 GLU H . . 4.080 2.855 2.617 3.168 . 0 0 "[ . 1 . 2]" 1
405 1 45 ILE MG 1 60 LYS H . . 5.240 4.524 4.316 4.882 . 0 0 "[ . 1 . 2]" 1
406 1 57 LEU MD2 1 60 LYS H . . 5.500 4.815 4.291 5.240 . 0 0 "[ . 1 . 2]" 1
407 1 60 LYS H 1 62 ALA MB . . 4.990 4.284 4.178 4.394 . 0 0 "[ . 1 . 2]" 1
408 1 59 GLU HG3 1 60 LYS H . . 4.490 4.241 4.012 4.380 . 0 0 "[ . 1 . 2]" 1
409 1 62 ALA H 1 72 GLN HE21 . . 4.230 3.185 2.927 3.563 . 0 0 "[ . 1 . 2]" 1
410 1 63 GLY H 1 65 ILE H . . 4.920 4.326 4.216 4.499 . 0 0 "[ . 1 . 2]" 1
411 1 64 GLU H 1 65 ILE MG . . 4.410 4.229 4.017 4.411 0.001 4 0 "[ . 1 . 2]" 1
412 1 64 GLU H 1 65 ILE HG12 . . 5.190 4.076 3.969 4.207 . 0 0 "[ . 1 . 2]" 1
413 1 62 ALA MB 1 64 GLU H . . 5.500 4.713 4.596 4.861 . 0 0 "[ . 1 . 2]" 1
414 1 61 ILE HA 1 64 GLU H . . 4.420 3.088 3.030 3.152 . 0 0 "[ . 1 . 2]" 1
415 1 61 ILE H 1 64 GLU H . . 5.500 5.210 5.132 5.281 . 0 0 "[ . 1 . 2]" 1
416 1 62 ALA H 1 64 GLU H . . 5.500 4.479 4.267 4.611 . 0 0 "[ . 1 . 2]" 1
417 1 65 ILE H 1 65 ILE MD . . 4.000 3.528 3.378 3.641 . 0 0 "[ . 1 . 2]" 1
418 1 63 GLY QA 1 65 ILE H . . 5.070 4.452 4.338 4.663 . 0 0 "[ . 1 . 2]" 1
419 1 65 ILE H 1 66 GLN HA . . 5.500 4.726 4.644 4.817 . 0 0 "[ . 1 . 2]" 1
420 1 62 ALA HA 1 65 ILE H . . 4.550 3.910 3.721 4.093 . 0 0 "[ . 1 . 2]" 1
421 1 65 ILE MD 1 66 GLN H . . 4.880 4.358 4.299 4.423 . 0 0 "[ . 1 . 2]" 1
422 1 65 ILE MG 1 66 GLN H . . 4.300 4.000 3.912 4.071 . 0 0 "[ . 1 . 2]" 1
423 1 65 ILE HG13 1 66 GLN H . . 4.530 3.187 2.992 3.381 . 0 0 "[ . 1 . 2]" 1
424 1 65 ILE HG12 1 66 GLN H . . 4.650 2.900 2.736 3.068 . 0 0 "[ . 1 . 2]" 1
425 1 62 ALA MB 1 66 GLN H . . 5.320 4.608 4.444 4.697 . 0 0 "[ . 1 . 2]" 1
426 1 62 ALA HA 1 66 GLN H . . 3.970 3.875 3.694 3.963 . 0 0 "[ . 1 . 2]" 1
427 1 64 GLU H 1 66 GLN H . . 4.710 3.569 3.452 3.628 . 0 0 "[ . 1 . 2]" 1
428 1 65 ILE MD 1 67 ILE H . . 4.430 3.350 3.250 3.452 . 0 0 "[ . 1 . 2]" 1
429 1 65 ILE MG 1 67 ILE H . . 4.680 4.625 4.438 4.679 . 0 0 "[ . 1 . 2]" 1
430 1 65 ILE HG12 1 67 ILE H . . 4.280 2.771 2.467 2.979 . 0 0 "[ . 1 . 2]" 1
431 1 66 GLN HB3 1 67 ILE H . . 5.000 4.325 4.278 4.343 . 0 0 "[ . 1 . 2]" 1
432 1 69 ALA H 1 70 ASN H . . 4.440 2.891 2.820 2.962 . 0 0 "[ . 1 . 2]" 1
433 1 84 ASN H 1 85 MET HB2 . . 5.060 4.540 4.233 4.863 . 0 0 "[ . 1 . 2]" 1
434 1 68 PRO HB3 1 70 ASN H . . 4.460 4.108 3.993 4.185 . 0 0 "[ . 1 . 2]" 1
435 1 68 PRO HA 1 70 ASN H . . 5.270 3.859 3.736 3.954 . 0 0 "[ . 1 . 2]" 1
436 1 83 ASP H 1 84 ASN H . . 4.260 2.723 2.660 2.782 . 0 0 "[ . 1 . 2]" 1
437 1 67 ILE MG 1 71 LYS H . . 4.750 3.317 3.213 3.473 . 0 0 "[ . 1 . 2]" 1
438 1 69 ALA H 1 71 LYS H . . 5.500 4.660 4.460 4.769 . 0 0 "[ . 1 . 2]" 1
439 1 67 ILE MG 1 72 GLN H . . 4.580 2.064 1.928 2.202 . 0 0 "[ . 1 . 2]" 1
440 1 72 GLN H 1 72 GLN HG3 . . 3.790 2.437 2.080 2.869 . 0 0 "[ . 1 . 2]" 1
441 1 69 ALA HA 1 72 GLN H . . 4.700 4.017 3.829 4.270 . 0 0 "[ . 1 . 2]" 1
442 1 73 LYS H 1 73 LYS HB3 . . 3.810 3.601 3.452 3.764 . 0 0 "[ . 1 . 2]" 1
443 1 72 GLN HB3 1 73 LYS H . . 4.100 4.008 3.903 4.102 0.002 7 0 "[ . 1 . 2]" 1
444 1 73 LYS H 1 102 LEU HA . . 4.130 3.791 3.624 3.869 . 0 0 "[ . 1 . 2]" 1
445 1 73 LYS H 1 102 LEU H . . 5.500 5.101 5.049 5.130 . 0 0 "[ . 1 . 2]" 1
446 1 73 LYS H 1 103 ARG H . . 5.500 4.859 4.331 5.351 . 0 0 "[ . 1 . 2]" 1
447 1 74 LEU H 1 74 LEU MD1 . . 4.230 4.065 3.831 4.231 0.001 13 0 "[ . 1 . 2]" 1
448 1 73 LYS HB2 1 74 LEU H . . 4.580 4.176 3.795 4.337 . 0 0 "[ . 1 . 2]" 1
449 1 74 LEU H 1 80 PHE QD . . 4.770 4.375 3.743 4.772 0.002 16 0 "[ . 1 . 2]" 1
450 1 74 LEU HB3 1 75 SER H . . 3.690 3.316 3.162 3.443 . 0 0 "[ . 1 . 2]" 1
451 1 74 LEU HB2 1 75 SER H . . 4.490 4.363 4.264 4.429 . 0 0 "[ . 1 . 2]" 1
452 1 75 SER H 1 75 SER HB2 . . 4.000 3.454 2.657 3.819 . 0 0 "[ . 1 . 2]" 1
453 1 75 SER H 1 100 LEU HA . . 4.380 3.734 3.673 3.814 . 0 0 "[ . 1 . 2]" 1
454 1 76 GLY H 1 81 LEU MD2 . . 4.150 3.074 2.487 3.508 . 0 0 "[ . 1 . 2]" 1
455 1 76 GLY H 1 81 LEU MD1 . . 4.400 3.350 2.664 3.934 . 0 0 "[ . 1 . 2]" 1
456 1 76 GLY H 1 98 LEU MD2 . . 4.580 4.234 3.824 4.581 0.001 16 0 "[ . 1 . 2]" 1
457 1 76 GLY H 1 81 LEU HG . . 4.330 2.291 1.937 2.697 . 0 0 "[ . 1 . 2]" 1
458 1 77 LYS H 1 77 LYS HG2 . . 5.200 4.089 2.633 4.687 . 0 0 "[ . 1 . 2]" 1
459 1 77 LYS H 1 77 LYS HG3 . . 5.200 4.010 2.303 4.518 . 0 0 "[ . 1 . 2]" 1
460 1 78 ALA H 1 81 LEU MD2 . . 5.240 4.083 3.685 4.305 . 0 0 "[ . 1 . 2]" 1
461 1 77 LYS H 1 78 ALA H . . 4.630 2.996 2.790 3.096 . 0 0 "[ . 1 . 2]" 1
462 1 78 ALA MB 1 79 GLY H . . 4.360 2.555 2.473 2.692 . 0 0 "[ . 1 . 2]" 1
463 1 79 GLY H 1 81 LEU MD2 . . 5.330 3.591 3.086 3.988 . 0 0 "[ . 1 . 2]" 1
464 1 77 LYS HA 1 79 GLY H . . 4.680 4.616 4.410 4.683 0.003 16 0 "[ . 1 . 2]" 1
465 1 75 SER HA 1 79 GLY H . . 5.080 4.913 4.713 5.059 . 0 0 "[ . 1 . 2]" 1
466 1 79 GLY H 1 80 PHE H . . 4.930 4.407 4.396 4.422 . 0 0 "[ . 1 . 2]" 1
467 1 80 PHE H 1 81 LEU H . . 4.530 4.351 4.216 4.462 . 0 0 "[ . 1 . 2]" 1
468 1 81 LEU H 1 81 LEU MD1 . . 4.370 3.329 2.773 3.624 . 0 0 "[ . 1 . 2]" 1
469 1 80 PHE HB2 1 81 LEU H . . 4.760 4.517 4.411 4.632 . 0 0 "[ . 1 . 2]" 1
470 1 80 PHE QD 1 81 LEU H . . 4.610 3.793 3.318 4.544 . 0 0 "[ . 1 . 2]" 1
471 1 76 GLY H 1 81 LEU H . . 5.500 2.990 2.501 3.484 . 0 0 "[ . 1 . 2]" 1
472 1 74 LEU H 1 81 LEU H . . 5.250 4.778 4.381 5.133 . 0 0 "[ . 1 . 2]" 1
473 1 75 SER H 1 81 LEU H . . 5.500 4.531 4.346 4.760 . 0 0 "[ . 1 . 2]" 1
474 1 82 LYS H 1 85 MET HB2 . . 4.990 3.054 2.660 3.442 . 0 0 "[ . 1 . 2]" 1
475 1 83 ASP H 1 83 ASP HB2 . . 4.060 3.238 2.663 3.592 . 0 0 "[ . 1 . 2]" 1
476 1 82 LYS HB2 1 83 ASP H . . 4.110 4.075 3.944 4.114 0.004 19 0 "[ . 1 . 2]" 1
477 1 85 MET H 1 85 MET HB3 . . 3.960 3.488 3.270 3.633 . 0 0 "[ . 1 . 2]" 1
478 1 54 VAL HB 1 85 MET H . . 4.450 4.164 3.862 4.423 . 0 0 "[ . 1 . 2]" 1
479 1 85 MET H 1 90 TYR QE . . 4.420 4.272 3.881 4.424 0.004 1 0 "[ . 1 . 2]" 1
480 1 85 MET HB2 1 86 SER H . . 4.180 4.013 3.854 4.165 . 0 0 "[ . 1 . 2]" 1
481 1 53 ASN HA 1 86 SER H . . 4.930 4.745 4.553 4.934 0.004 20 0 "[ . 1 . 2]" 1
482 1 87 LEU H 1 87 LEU MD1 . . 4.100 3.663 3.547 3.957 . 0 0 "[ . 1 . 2]" 1
483 1 88 ALA H 1 89 HIS H . . 3.680 2.815 2.613 3.052 . 0 0 "[ . 1 . 2]" 1
484 1 50 LEU HB2 1 88 ALA H . . 4.540 4.160 3.742 4.448 . 0 0 "[ . 1 . 2]" 1
485 1 50 LEU MD2 1 88 ALA H . . 4.670 4.164 3.819 4.650 . 0 0 "[ . 1 . 2]" 1
486 1 87 LEU MD2 1 88 ALA H . . 4.910 4.563 4.053 4.678 . 0 0 "[ . 1 . 2]" 1
487 1 21 LEU QD 1 88 ALA H . . 3.930 3.881 3.708 3.929 . 0 0 "[ . 1 . 2]" 1
488 1 17 GLU HG2 1 89 HIS H . . 5.320 5.040 4.788 5.215 . 0 0 "[ . 1 . 2]" 1
489 1 17 GLU HA 1 89 HIS H . . 5.500 3.940 3.341 4.345 . 0 0 "[ . 1 . 2]" 1
490 1 86 SER HB3 1 89 HIS H . . 4.640 3.841 3.594 4.071 . 0 0 "[ . 1 . 2]" 1
491 1 86 SER HB2 1 89 HIS H . . 4.640 2.688 2.364 2.896 . 0 0 "[ . 1 . 2]" 1
492 1 90 TYR H 1 92 VAL QG . . 4.500 3.971 3.696 4.405 . 0 0 "[ . 1 . 2]" 1
493 1 88 ALA MB 1 90 TYR H . . 4.860 4.521 4.343 4.778 . 0 0 "[ . 1 . 2]" 1
494 1 89 HIS HB3 1 90 TYR H . . 4.200 2.615 2.323 2.908 . 0 0 "[ . 1 . 2]" 1
495 1 88 ALA HA 1 91 ASN H . . 3.800 3.480 3.245 3.765 . 0 0 "[ . 1 . 2]" 1
496 1 28 ALA MB 1 94 ALA H . . 4.300 2.872 2.007 3.566 . 0 0 "[ . 1 . 2]" 1
497 1 93 GLY H 1 94 ALA H . . 4.280 3.904 3.642 4.025 . 0 0 "[ . 1 . 2]" 1
498 1 94 ALA MB 1 95 GLY H . . 4.200 3.708 3.684 3.723 . 0 0 "[ . 1 . 2]" 1
499 1 97 ILE H 1 97 ILE HG13 . . 4.490 2.839 2.554 4.180 . 0 0 "[ . 1 . 2]" 1
500 1 96 GLU HB3 1 97 ILE H . . 4.680 3.866 3.055 4.267 . 0 0 "[ . 1 . 2]" 1
501 1 96 GLU HG3 1 97 ILE H . . 4.310 2.638 1.972 4.294 . 0 0 "[ . 1 . 2]" 1
502 1 96 GLU HG2 1 97 ILE H . . 4.310 3.895 2.445 4.302 . 0 0 "[ . 1 . 2]" 1
503 1 97 ILE HG13 1 98 LEU H . . 5.500 4.895 4.619 5.249 . 0 0 "[ . 1 . 2]" 1
504 1 32 VAL MG1 1 98 LEU H . . 4.480 4.298 4.010 4.471 . 0 0 "[ . 1 . 2]" 1
505 1 31 ARG HB3 1 98 LEU H . . 5.330 4.912 4.237 5.326 . 0 0 "[ . 1 . 2]" 1
506 1 97 ILE HG12 1 98 LEU H . . 5.500 4.421 4.125 5.122 . 0 0 "[ . 1 . 2]" 1
507 1 99 THR H 1 99 THR MG . . 4.000 3.842 3.813 3.860 . 0 0 "[ . 1 . 2]" 1
508 1 100 LEU H 1 100 LEU MD2 . . 4.310 4.243 4.109 4.333 0.023 11 0 "[ . 1 . 2]" 1
509 1 33 SER H 1 100 LEU H . . 4.520 3.655 3.149 4.209 . 0 0 "[ . 1 . 2]" 1
510 1 74 LEU MD2 1 101 SER H . . 4.650 4.232 3.874 4.398 . 0 0 "[ . 1 . 2]" 1
511 1 100 LEU MD2 1 101 SER H . . 5.130 4.544 4.369 4.654 . 0 0 "[ . 1 . 2]" 1
512 1 100 LEU HG 1 101 SER H . . 3.890 3.057 2.794 3.345 . 0 0 "[ . 1 . 2]" 1
513 1 73 LYS HB3 1 101 SER H . . 4.870 4.516 4.216 4.872 0.002 16 0 "[ . 1 . 2]" 1
514 1 73 LYS HB2 1 101 SER H . . 4.430 3.996 3.650 4.196 . 0 0 "[ . 1 . 2]" 1
515 1 72 GLN HB2 1 101 SER H . . 5.070 4.607 4.443 4.738 . 0 0 "[ . 1 . 2]" 1
516 1 72 GLN HA 1 101 SER H . . 4.950 4.860 4.753 4.956 0.006 14 0 "[ . 1 . 2]" 1
517 1 74 LEU HA 1 101 SER H . . 4.570 3.631 3.475 3.763 . 0 0 "[ . 1 . 2]" 1
518 1 15 VAL MG1 1 91 ASN HD21 . . 5.110 3.955 3.624 4.413 . 0 0 "[ . 1 . 2]" 1
519 1 15 VAL MG2 1 91 ASN HD21 . . 4.900 3.962 3.718 4.216 . 0 0 "[ . 1 . 2]" 1
520 1 15 VAL HB 1 91 ASN HD21 . . 4.550 2.690 2.423 3.062 . 0 0 "[ . 1 . 2]" 1
521 1 14 LEU HB3 1 91 ASN HD22 . . 4.280 2.957 2.457 3.807 . 0 0 "[ . 1 . 2]" 1
522 1 20 PHE HB2 1 91 ASN HD22 . . 5.220 4.259 3.772 4.863 . 0 0 "[ . 1 . 2]" 1
523 1 91 ASN H 1 91 ASN HD22 . . 4.080 3.919 3.756 4.035 . 0 0 "[ . 1 . 2]" 1
524 1 72 GLN HE21 1 100 LEU MD1 . . 5.200 3.961 3.454 4.779 . 0 0 "[ . 1 . 2]" 1
525 1 16 PRO HG3 1 19 GLN HE22 . . 5.390 4.490 3.440 5.353 . 0 0 "[ . 1 . 2]" 1
526 1 16 PRO HG2 1 19 GLN HE22 . . 5.390 4.700 3.954 5.274 . 0 0 "[ . 1 . 2]" 1
527 1 16 PRO HG3 1 19 GLN HE21 . . 5.390 3.091 1.907 4.045 . 0 0 "[ . 1 . 2]" 1
528 1 16 PRO HG2 1 19 GLN HE21 . . 5.390 3.300 2.336 3.745 . 0 0 "[ . 1 . 2]" 1
529 1 15 VAL MG1 1 23 GLN HE22 . . 5.500 3.605 2.363 5.237 . 0 0 "[ . 1 . 2]" 1
530 1 15 VAL MG1 1 23 GLN HE21 . . 5.500 3.053 1.917 5.500 . 0 0 "[ . 1 . 2]" 1
531 1 92 VAL H 1 93 GLY H . . 4.530 4.311 4.027 4.506 . 0 0 "[ . 1 . 2]" 1
532 1 51 SER HA 1 87 LEU H . . 4.200 4.058 3.855 4.201 0.001 9 0 "[ . 1 . 2]" 1
533 1 68 PRO HB2 1 71 LYS H . . 3.320 3.051 2.894 3.103 . 0 0 "[ . 1 . 2]" 1
534 1 70 ASN H 1 71 LYS H . . 4.320 2.756 2.681 2.844 . 0 0 "[ . 1 . 2]" 1
535 1 19 GLN H 1 19 GLN HG3 . . 3.890 2.878 2.543 3.140 . 0 0 "[ . 1 . 2]" 1
536 1 18 ASP HB3 1 19 GLN H . . 4.480 2.855 2.484 3.079 . 0 0 "[ . 1 . 2]" 1
537 1 64 GLU HB2 1 66 GLN H . . 4.700 4.477 4.351 4.579 . 0 0 "[ . 1 . 2]" 1
538 1 65 ILE HB 1 66 GLN H . . 4.970 4.220 4.167 4.269 . 0 0 "[ . 1 . 2]" 1
539 1 66 GLN H 1 66 GLN HB2 . . 3.420 3.290 3.254 3.329 . 0 0 "[ . 1 . 2]" 1
540 1 73 LYS HB3 1 74 LEU H . . 3.880 3.003 2.561 3.258 . 0 0 "[ . 1 . 2]" 1
541 1 75 SER H 1 98 LEU HA . . 5.130 5.073 4.941 5.137 0.007 9 0 "[ . 1 . 2]" 1
542 1 75 SER H 1 75 SER HB3 . . 4.000 3.002 2.523 3.782 . 0 0 "[ . 1 . 2]" 1
543 1 80 PHE H 1 80 PHE QD . . 4.050 3.015 2.457 3.304 . 0 0 "[ . 1 . 2]" 1
544 1 54 VAL HB 1 83 ASP H . . 4.060 3.992 3.847 4.054 . 0 0 "[ . 1 . 2]" 1
545 1 82 LYS HB3 1 83 ASP H . . 4.110 3.155 2.972 3.240 . 0 0 "[ . 1 . 2]" 1
546 1 86 SER H 1 86 SER HB2 . . 3.840 2.621 2.412 2.754 . 0 0 "[ . 1 . 2]" 1
547 1 17 GLU QB 1 89 HIS H . . 4.100 3.012 2.559 3.417 . 0 0 "[ . 1 . 2]" 1
548 1 72 GLN HA 1 103 ARG H . . 4.250 3.515 2.992 3.978 . 0 0 "[ . 1 . 2]" 1
549 1 71 LYS HB3 1 103 ARG H . . 4.650 3.712 3.428 3.963 . 0 0 "[ . 1 . 2]" 1
550 1 103 ARG H 1 103 ARG HB2 . . 3.770 2.340 2.111 2.905 . 0 0 "[ . 1 . 2]" 1
551 1 102 LEU HB3 1 103 ARG H . . 3.880 3.512 2.831 3.833 . 0 0 "[ . 1 . 2]" 1
552 1 61 ILE MD 1 72 GLN HE22 . . 4.500 3.536 2.972 4.232 . 0 0 "[ . 1 . 2]" 1
553 1 8 LYS H 1 8 LYS QD . . 5.500 3.637 1.922 4.697 . 0 0 "[ . 1 . 2]" 1
554 1 17 GLU H 1 17 GLU HG2 . . 4.360 4.273 4.158 4.330 . 0 0 "[ . 1 . 2]" 1
555 1 19 GLN HA 1 21 LEU H . . 4.340 4.122 3.951 4.258 . 0 0 "[ . 1 . 2]" 1
556 1 19 GLN HA 1 23 GLN H . . 4.020 3.887 3.785 3.990 . 0 0 "[ . 1 . 2]" 1
557 1 22 ALA HA 1 24 HIS H . . 3.760 3.719 3.655 3.761 0.001 11 0 "[ . 1 . 2]" 1
558 1 25 PRO HG2 1 26 GLY H . . 5.020 3.509 1.978 4.342 . 0 0 "[ . 1 . 2]" 1
559 1 25 PRO HG3 1 26 GLY H . . 5.020 4.502 3.590 5.013 . 0 0 "[ . 1 . 2]" 1
560 1 28 ALA H 1 50 LEU MD2 . . 3.920 3.727 3.191 3.900 . 0 0 "[ . 1 . 2]" 1
561 1 28 ALA HA 1 29 THR H . . 3.070 2.186 2.140 2.344 . 0 0 "[ . 1 . 2]" 1
562 1 29 THR HA 1 30 ILE H . . 3.110 2.156 2.141 2.216 . 0 0 "[ . 1 . 2]" 1
563 1 32 VAL H 1 32 VAL MG1 . . 4.120 3.928 3.880 3.973 . 0 0 "[ . 1 . 2]" 1
564 1 31 ARG HB2 1 32 VAL H . . 4.650 4.207 4.029 4.351 . 0 0 "[ . 1 . 2]" 1
565 1 32 VAL MG2 1 33 SER H . . 4.430 4.083 3.988 4.171 . 0 0 "[ . 1 . 2]" 1
566 1 34 LYS H 1 43 MET ME . . 4.450 3.668 3.036 4.331 . 0 0 "[ . 1 . 2]" 1
567 1 41 GLN H 1 41 GLN HG3 . . 4.070 3.269 2.202 4.056 . 0 0 "[ . 1 . 2]" 1
568 1 45 ILE MD 1 46 THR H . . 4.070 3.853 3.587 4.064 . 0 0 "[ . 1 . 2]" 1
569 1 56 SER HA 1 59 GLU H . . 3.820 3.550 3.351 3.791 . 0 0 "[ . 1 . 2]" 1
570 1 60 LYS H 1 60 LYS HB3 . . 3.740 3.537 3.439 3.591 . 0 0 "[ . 1 . 2]" 1
571 1 57 LEU HA 1 60 LYS H . . 3.440 3.358 3.215 3.444 0.004 3 0 "[ . 1 . 2]" 1
572 1 69 ALA MB 1 70 ASN H . . 4.310 2.822 2.691 2.926 . 0 0 "[ . 1 . 2]" 1
573 1 70 ASN H 1 70 ASN HB3 . . 4.150 3.257 2.942 3.581 . 0 0 "[ . 1 . 2]" 1
574 1 82 LYS HA 1 84 ASN H . . 3.980 3.902 3.693 3.978 . 0 0 "[ . 1 . 2]" 1
575 1 71 LYS HB3 1 72 GLN H . . 4.060 2.581 2.358 2.771 . 0 0 "[ . 1 . 2]" 1
576 1 82 LYS H 1 82 LYS HG3 . . 4.060 3.280 2.485 3.987 . 0 0 "[ . 1 . 2]" 1
577 1 82 LYS H 1 82 LYS HB2 . . 3.790 2.591 2.526 2.683 . 0 0 "[ . 1 . 2]" 1
578 1 75 SER H 1 99 THR H . . 3.180 3.180 3.143 3.189 0.009 3 0 "[ . 1 . 2]" 1
579 1 102 LEU H 1 102 LEU MD1 . . 5.150 3.967 3.080 4.356 . 0 0 "[ . 1 . 2]" 1
580 1 32 VAL H 1 33 SER H . . 4.830 4.343 4.251 4.442 . 0 0 "[ . 1 . 2]" 1
581 1 32 VAL H 1 45 ILE H . . 5.090 4.279 3.944 4.642 . 0 0 "[ . 1 . 2]" 1
582 1 38 ASN H 1 39 ASP H . . 5.170 4.113 2.382 4.519 . 0 0 "[ . 1 . 2]" 1
583 1 91 ASN HD21 1 92 VAL H . . 5.280 4.962 4.733 5.162 . 0 0 "[ . 1 . 2]" 1
584 1 90 TYR H 1 92 VAL H . . 5.260 4.028 3.533 5.071 . 0 0 "[ . 1 . 2]" 1
585 1 92 VAL HB 1 93 GLY H . . 4.390 4.269 4.096 4.377 . 0 0 "[ . 1 . 2]" 1
586 1 93 GLY H 1 96 GLU HB3 . . 4.430 2.895 2.255 4.433 0.003 20 0 "[ . 1 . 2]" 1
587 1 93 GLY H 1 96 GLU H . . 2.610 2.587 2.534 2.620 0.010 9 0 "[ . 1 . 2]" 1
588 1 88 ALA H 1 91 ASN H . . 5.470 4.991 4.615 5.218 . 0 0 "[ . 1 . 2]" 1
589 1 94 ALA H 1 95 GLY H . . 4.760 3.355 3.062 3.909 . 0 0 "[ . 1 . 2]" 1
590 1 94 ALA H 1 96 GLU H . . 5.310 4.626 4.453 4.816 . 0 0 "[ . 1 . 2]" 1
591 1 94 ALA MB 1 96 GLU H . . 5.410 5.166 4.971 5.267 . 0 0 "[ . 1 . 2]" 1
592 1 96 GLU H 1 97 ILE H . . 4.980 4.575 4.468 4.624 . 0 0 "[ . 1 . 2]" 1
593 1 97 ILE H 1 98 LEU H . . 5.160 4.410 4.246 4.526 . 0 0 "[ . 1 . 2]" 1
594 1 31 ARG H 1 98 LEU H . . 5.260 4.440 4.003 4.838 . 0 0 "[ . 1 . 2]" 1
595 1 99 THR H 1 100 LEU H . . 5.250 4.499 4.453 4.520 . 0 0 "[ . 1 . 2]" 1
596 1 101 SER H 1 102 LEU H . . 5.040 4.461 4.398 4.499 . 0 0 "[ . 1 . 2]" 1
597 1 70 ASN H 1 72 GLN H . . 4.760 4.623 4.411 4.755 . 0 0 "[ . 1 . 2]" 1
598 1 72 GLN H 1 73 LYS H . . 5.190 4.602 4.569 4.633 . 0 0 "[ . 1 . 2]" 1
599 1 75 SER H 1 76 GLY H . . 5.230 4.399 4.339 4.440 . 0 0 "[ . 1 . 2]" 1
600 1 86 SER H 1 87 LEU H . . 5.500 4.505 4.457 4.571 . 0 0 "[ . 1 . 2]" 1
601 1 85 MET H 1 86 SER H . . 5.500 4.576 4.476 4.634 . 0 0 "[ . 1 . 2]" 1
602 1 86 SER H 1 90 TYR H . . 5.250 4.942 4.082 5.239 . 0 0 "[ . 1 . 2]" 1
603 1 90 TYR HA 1 91 ASN HD21 . . 5.500 5.398 5.194 5.500 . 0 0 "[ . 1 . 2]" 1
604 1 20 PHE QD 1 91 ASN HD21 . . 5.500 2.719 2.427 3.150 . 0 0 "[ . 1 . 2]" 1
605 1 20 PHE QD 1 91 ASN HD22 . . 5.500 4.208 3.808 4.594 . 0 0 "[ . 1 . 2]" 1
606 1 32 VAL MG1 1 100 LEU H . . 4.170 3.454 3.127 4.026 . 0 0 "[ . 1 . 2]" 1
607 1 54 VAL H 1 85 MET H . . 5.120 4.558 4.174 4.844 . 0 0 "[ . 1 . 2]" 1
608 1 80 PHE H 1 80 PHE QE . . 5.100 4.692 4.435 4.985 . 0 0 "[ . 1 . 2]" 1
609 1 50 LEU MD2 1 94 ALA H . . 5.410 4.109 3.260 4.871 . 0 0 "[ . 1 . 2]" 1
610 1 74 LEU HB2 1 81 LEU HB2 . . 3.440 3.305 2.951 3.442 0.002 3 0 "[ . 1 . 2]" 1
611 1 74 LEU HB2 1 74 LEU MD1 . . 3.420 2.208 2.124 2.423 . 0 0 "[ . 1 . 2]" 1
612 1 74 LEU HB3 1 74 LEU MD1 . . 3.360 2.453 2.257 2.536 . 0 0 "[ . 1 . 2]" 1
613 1 74 LEU HB3 1 98 LEU MD1 . . 4.010 3.609 3.241 3.939 . 0 0 "[ . 1 . 2]" 1
614 1 57 LEU HG 1 61 ILE MD . . 4.350 3.807 2.813 4.338 . 0 0 "[ . 1 . 2]" 1
615 1 61 ILE HA 1 61 ILE MD . . 4.270 3.756 3.452 3.908 . 0 0 "[ . 1 . 2]" 1
616 1 55 GLY HA2 1 83 ASP HB3 . . 4.850 3.346 2.558 4.594 . 0 0 "[ . 1 . 2]" 1
617 1 55 GLY HA3 1 83 ASP HB3 . . 4.850 3.256 2.019 4.217 . 0 0 "[ . 1 . 2]" 1
618 1 35 PRO QD 1 65 ILE MD . . 4.460 4.135 3.806 4.462 0.002 15 0 "[ . 1 . 2]" 1
619 1 65 ILE HA 1 65 ILE MD . . 4.670 4.178 4.168 4.181 . 0 0 "[ . 1 . 2]" 1
620 1 35 PRO HB3 1 65 ILE MD . . 3.870 3.805 3.578 3.879 0.009 9 0 "[ . 1 . 2]" 1
621 1 42 PHE QE 1 97 ILE MD . . 4.250 4.007 3.526 4.259 0.009 10 0 "[ . 1 . 2]" 1
622 1 42 PHE QD 1 97 ILE MD . . 4.620 4.017 3.642 4.368 . 0 0 "[ . 1 . 2]" 1
623 1 31 ARG HB2 1 97 ILE MD . . 3.990 3.570 1.780 3.988 . 0 0 "[ . 1 . 2]" 1
624 1 97 ILE HB 1 97 ILE MD . . 3.510 2.292 2.041 3.227 . 0 0 "[ . 1 . 2]" 1
625 1 67 ILE HA 1 67 ILE MD . . 4.140 2.495 1.966 3.887 . 0 0 "[ . 1 . 2]" 1
626 1 76 GLY HA3 1 98 LEU MD2 . . 4.080 2.772 2.403 3.217 . 0 0 "[ . 1 . 2]" 1
627 1 98 LEU HB2 1 98 LEU HG . . 2.910 2.466 2.407 2.508 . 0 0 "[ . 1 . 2]" 1
628 1 32 VAL MG2 1 98 LEU HB2 . . 3.660 2.970 2.483 3.614 . 0 0 "[ . 1 . 2]" 1
629 1 98 LEU HB3 1 98 LEU MD1 . . 3.310 2.381 2.230 2.481 . 0 0 "[ . 1 . 2]" 1
630 1 98 LEU H 1 98 LEU HB3 . . 4.010 3.697 3.625 3.784 . 0 0 "[ . 1 . 2]" 1
631 1 98 LEU HB3 1 98 LEU MD2 . . 3.520 2.313 2.206 2.461 . 0 0 "[ . 1 . 2]" 1
632 1 100 LEU HB3 1 100 LEU MD2 . . 3.660 2.119 1.968 2.274 . 0 0 "[ . 1 . 2]" 1
633 1 45 ILE MD 1 64 GLU HG3 . . 4.150 3.770 3.329 4.029 . 0 0 "[ . 1 . 2]" 1
634 1 45 ILE MD 1 60 LYS HB2 . . 3.580 3.479 3.124 3.586 0.006 20 0 "[ . 1 . 2]" 1
635 1 100 LEU HB2 1 100 LEU MD2 . . 3.660 2.575 2.426 2.728 . 0 0 "[ . 1 . 2]" 1
636 1 29 THR H 1 30 ILE MD . . 5.500 4.439 4.160 4.733 . 0 0 "[ . 1 . 2]" 1
637 1 30 ILE HA 1 30 ILE MD . . 3.750 2.138 1.939 3.252 . 0 0 "[ . 1 . 2]" 1
638 1 28 ALA MB 1 30 ILE MD . . 3.370 2.819 2.512 3.109 . 0 0 "[ . 1 . 2]" 1
639 1 71 LYS HA 1 103 ARG QD . . 3.780 2.633 1.990 3.600 . 0 0 "[ . 1 . 2]" 1
640 1 103 ARG HB2 1 103 ARG QD . . 3.430 2.382 1.920 2.824 . 0 0 "[ . 1 . 2]" 1
641 1 103 ARG HB3 1 103 ARG QD . . 3.430 2.518 1.969 3.136 . 0 0 "[ . 1 . 2]" 1
642 1 31 ARG HB2 1 31 ARG HD2 . . 4.220 2.560 1.999 3.500 . 0 0 "[ . 1 . 2]" 1
643 1 31 ARG HB2 1 31 ARG HD3 . . 4.220 2.838 2.019 3.812 . 0 0 "[ . 1 . 2]" 1
644 1 28 ALA MB 1 93 GLY HA2 . . 4.830 2.841 2.472 3.154 . 0 0 "[ . 1 . 2]" 1
645 1 20 PHE QE 1 93 GLY HA3 . . 4.750 3.198 2.418 3.788 . 0 0 "[ . 1 . 2]" 1
646 1 28 ALA MB 1 93 GLY HA3 . . 4.830 3.434 2.954 4.146 . 0 0 "[ . 1 . 2]" 1
647 1 60 LYS HE2 1 60 LYS HG2 . . 4.070 3.116 2.220 3.690 . 0 0 "[ . 1 . 2]" 1
648 1 60 LYS HE2 1 60 LYS HG3 . . 4.070 3.543 2.651 3.978 . 0 0 "[ . 1 . 2]" 1
649 1 58 LYS HE2 1 74 LEU HB2 . . 4.160 2.922 2.049 3.992 . 0 0 "[ . 1 . 2]" 1
650 1 58 LYS HE3 1 74 LEU HB2 . . 4.160 2.614 2.014 3.901 . 0 0 "[ . 1 . 2]" 1
651 1 60 LYS HE3 1 60 LYS HG3 . . 4.070 3.142 2.435 3.990 . 0 0 "[ . 1 . 2]" 1
652 1 68 PRO QG 1 71 LYS QE . . 4.330 3.310 2.733 4.297 . 0 0 "[ . 1 . 2]" 1
653 1 67 ILE MG 1 71 LYS QE . . 4.460 3.686 2.059 4.436 . 0 0 "[ . 1 . 2]" 1
654 1 14 LEU HB3 1 15 VAL H . . 4.290 2.778 2.593 3.054 . 0 0 "[ . 1 . 2]" 1
655 1 14 LEU HB3 1 14 LEU MD1 . . 3.340 2.582 2.342 2.827 . 0 0 "[ . 1 . 2]" 1
656 1 74 LEU HB3 1 81 LEU HB2 . . 3.000 2.911 2.592 3.001 0.001 9 0 "[ . 1 . 2]" 1
657 1 77 LYS QE 1 77 LYS HG2 . . 3.860 2.434 1.970 3.254 . 0 0 "[ . 1 . 2]" 1
658 1 77 LYS QE 1 77 LYS HG3 . . 3.860 2.547 1.995 3.182 . 0 0 "[ . 1 . 2]" 1
659 1 54 VAL MG2 1 81 LEU HB3 . . 3.850 2.167 1.987 2.556 . 0 0 "[ . 1 . 2]" 1
660 1 57 LEU HB2 1 57 LEU MD1 . . 3.390 2.483 1.962 3.194 . 0 0 "[ . 1 . 2]" 1
661 1 50 LEU HB3 1 88 ALA MB . . 3.650 2.794 2.295 3.123 . 0 0 "[ . 1 . 2]" 1
662 1 57 LEU HB3 1 57 LEU MD1 . . 3.390 2.594 2.177 2.920 . 0 0 "[ . 1 . 2]" 1
663 1 50 LEU HA 1 87 LEU HB2 . . 4.340 3.105 2.760 3.315 . 0 0 "[ . 1 . 2]" 1
664 1 50 LEU HB3 1 87 LEU HB2 . . 3.300 2.742 2.460 3.145 . 0 0 "[ . 1 . 2]" 1
665 1 87 LEU HB2 1 87 LEU MD1 . . 3.620 2.391 2.281 3.119 . 0 0 "[ . 1 . 2]" 1
666 1 50 LEU MD2 1 87 LEU HB2 . . 3.650 2.756 2.480 3.251 . 0 0 "[ . 1 . 2]" 1
667 1 50 LEU HB2 1 88 ALA MB . . 3.400 3.001 2.722 3.350 . 0 0 "[ . 1 . 2]" 1
668 1 21 LEU QD 1 50 LEU HB2 . . 3.950 2.792 2.347 3.495 . 0 0 "[ . 1 . 2]" 1
669 1 21 LEU QD 1 50 LEU HB3 . . 5.290 3.645 3.128 4.325 . 0 0 "[ . 1 . 2]" 1
670 1 50 LEU HB3 1 87 LEU MD1 . . 5.500 3.839 3.605 4.221 . 0 0 "[ . 1 . 2]" 1
671 1 50 LEU HA 1 87 LEU HB3 . . 4.630 4.327 3.128 4.629 . 0 0 "[ . 1 . 2]" 1
672 1 87 LEU HB3 1 87 LEU MD1 . . 3.570 2.311 2.163 2.385 . 0 0 "[ . 1 . 2]" 1
673 1 50 LEU MD2 1 87 LEU HB3 . . 3.500 3.042 2.455 3.367 . 0 0 "[ . 1 . 2]" 1
674 1 87 LEU HB3 1 92 VAL HB . . 4.140 2.579 2.014 4.186 0.046 20 0 "[ . 1 . 2]" 1
675 1 55 GLY HA2 1 83 ASP HB2 . . 4.850 3.086 2.025 4.459 . 0 0 "[ . 1 . 2]" 1
676 1 83 ASP H 1 83 ASP HB3 . . 4.060 2.600 2.131 3.583 . 0 0 "[ . 1 . 2]" 1
677 1 65 ILE HG13 1 67 ILE HB . . 3.900 2.072 2.000 2.208 . 0 0 "[ . 1 . 2]" 1
678 1 67 ILE HB 1 67 ILE MD . . 3.340 3.002 2.245 3.229 . 0 0 "[ . 1 . 2]" 1
679 1 45 ILE HB 1 45 ILE MD . . 3.270 3.217 3.199 3.228 . 0 0 "[ . 1 . 2]" 1
680 1 65 ILE HB 1 65 ILE MD . . 3.470 2.478 2.390 2.574 . 0 0 "[ . 1 . 2]" 1
681 1 15 VAL MG1 1 20 PHE HB3 . . 4.300 3.686 3.086 4.171 . 0 0 "[ . 1 . 2]" 1
682 1 20 PHE HB3 1 88 ALA MB . . 4.160 2.500 2.097 3.038 . 0 0 "[ . 1 . 2]" 1
683 1 15 VAL MG1 1 20 PHE HB2 . . 3.850 2.387 1.900 2.917 . 0 0 "[ . 1 . 2]" 1
684 1 18 ASP H 1 18 ASP HB2 . . 4.070 2.140 2.074 2.401 . 0 0 "[ . 1 . 2]" 1
685 1 53 ASN H 1 53 ASN HB3 . . 4.080 3.440 2.878 3.790 . 0 0 "[ . 1 . 2]" 1
686 1 90 TYR HB2 1 92 VAL QG . . 3.810 2.520 2.072 3.419 . 0 0 "[ . 1 . 2]" 1
687 1 90 TYR HB3 1 92 VAL QG . . 3.810 2.447 2.043 3.813 0.003 20 0 "[ . 1 . 2]" 1
688 1 99 THR H 1 99 THR HB . . 3.520 2.611 2.554 2.662 . 0 0 "[ . 1 . 2]" 1
689 1 75 SER HB2 1 99 THR HB . . 4.310 3.942 2.555 4.303 . 0 0 "[ . 1 . 2]" 1
690 1 75 SER H 1 99 THR HB . . 3.980 3.550 3.364 3.767 . 0 0 "[ . 1 . 2]" 1
691 1 46 THR H 1 46 THR HB . . 3.230 2.597 2.523 2.677 . 0 0 "[ . 1 . 2]" 1
692 1 61 ILE HB 1 72 GLN HE22 . . 4.050 2.493 2.223 2.893 . 0 0 "[ . 1 . 2]" 1
693 1 61 ILE HB 1 61 ILE MD . . 3.130 2.120 2.019 2.256 . 0 0 "[ . 1 . 2]" 1
694 1 29 THR H 1 29 THR HB . . 3.400 2.591 2.502 2.649 . 0 0 "[ . 1 . 2]" 1
695 1 49 SER H 1 52 GLU HG2 . . 4.290 3.304 2.875 4.266 . 0 0 "[ . 1 . 2]" 1
696 1 52 GLU HA 1 52 GLU HG2 . . 4.190 2.900 2.533 3.151 . 0 0 "[ . 1 . 2]" 1
697 1 52 GLU HA 1 52 GLU HG3 . . 3.770 3.655 3.624 3.772 0.002 13 0 "[ . 1 . 2]" 1
698 1 92 VAL QG 1 96 GLU HG2 . . 4.180 2.275 1.787 3.907 . 0 0 "[ . 1 . 2]" 1
699 1 96 GLU H 1 96 GLU HG3 . . 4.550 4.385 4.176 4.547 . 0 0 "[ . 1 . 2]" 1
700 1 59 GLU QB 1 59 GLU HG3 . . 2.680 2.301 2.233 2.371 . 0 0 "[ . 1 . 2]" 1
701 1 20 PHE HZ 1 91 ASN HB2 . . 5.150 4.996 4.579 5.165 0.015 20 0 "[ . 1 . 2]" 1
702 1 17 GLU HG2 1 88 ALA MB . . 4.070 3.806 3.550 4.018 . 0 0 "[ . 1 . 2]" 1
703 1 20 PHE HZ 1 50 LEU MD1 . . 3.760 3.732 3.578 3.768 0.008 20 0 "[ . 1 . 2]" 1
704 1 45 ILE MD 1 64 GLU HG2 . . 4.150 4.054 3.908 4.149 . 0 0 "[ . 1 . 2]" 1
705 1 64 GLU H 1 64 GLU HG3 . . 4.260 3.721 3.256 3.903 . 0 0 "[ . 1 . 2]" 1
706 1 17 GLU QB 1 17 GLU HG2 . . 2.530 2.213 2.192 2.253 . 0 0 "[ . 1 . 2]" 1
707 1 32 VAL HB 1 43 MET ME . . 2.720 2.530 2.170 2.719 . 0 0 "[ . 1 . 2]" 1
708 1 15 VAL MG1 1 20 PHE QD . . 3.890 2.864 2.506 3.477 . 0 0 "[ . 1 . 2]" 1
709 1 54 VAL HA 1 57 LEU HB2 . . 4.090 2.917 2.462 3.416 . 0 0 "[ . 1 . 2]" 1
710 1 54 VAL HA 1 57 LEU HB3 . . 4.090 3.713 3.379 4.046 . 0 0 "[ . 1 . 2]" 1
711 1 54 VAL HA 1 54 VAL MG1 . . 3.580 2.400 2.286 2.519 . 0 0 "[ . 1 . 2]" 1
712 1 54 VAL HA 1 54 VAL MG2 . . 3.580 2.258 2.133 2.416 . 0 0 "[ . 1 . 2]" 1
713 1 54 VAL HA 1 87 LEU MD2 . . 3.840 2.178 1.979 2.727 . 0 0 "[ . 1 . 2]" 1
714 1 48 GLN HA 1 48 GLN QG . . 3.810 2.303 2.070 3.339 . 0 0 "[ . 1 . 2]" 1
715 1 23 GLN HA 1 23 GLN HG2 . . 3.710 2.202 2.085 2.338 . 0 0 "[ . 1 . 2]" 1
716 1 23 GLN H 1 23 GLN HG3 . . 4.220 2.833 2.476 3.086 . 0 0 "[ . 1 . 2]" 1
717 1 23 GLN HA 1 23 GLN HG3 . . 3.710 3.354 3.023 3.593 . 0 0 "[ . 1 . 2]" 1
718 1 20 PHE QE 1 92 VAL H . . 3.430 3.275 2.622 3.438 0.008 9 0 "[ . 1 . 2]" 1
719 1 61 ILE HA 1 61 ILE HG13 . . 3.600 2.539 2.271 2.730 . 0 0 "[ . 1 . 2]" 1
720 1 61 ILE HA 1 61 ILE MG . . 2.930 2.257 2.159 2.395 . 0 0 "[ . 1 . 2]" 1
721 1 45 ILE MD 1 61 ILE HA . . 3.290 3.147 2.862 3.299 0.009 4 0 "[ . 1 . 2]" 1
722 1 61 ILE HA 1 63 GLY H . . 4.910 3.668 3.510 3.819 . 0 0 "[ . 1 . 2]" 1
723 1 61 ILE HA 1 61 ILE HG12 . . 3.600 3.213 2.857 3.509 . 0 0 "[ . 1 . 2]" 1
724 1 19 GLN HA 1 19 GLN HG2 . . 4.010 2.306 2.156 2.463 . 0 0 "[ . 1 . 2]" 1
725 1 19 GLN HA 1 19 GLN HG3 . . 4.010 3.297 3.010 3.668 . 0 0 "[ . 1 . 2]" 1
726 1 71 LYS HB3 1 71 LYS HD2 . . 3.860 3.198 2.037 3.863 0.003 16 0 "[ . 1 . 2]" 1
727 1 71 LYS HB3 1 72 GLN HB3 . . 4.320 4.176 4.053 4.322 0.002 1 0 "[ . 1 . 2]" 1
728 1 82 LYS HB2 1 82 LYS QD . . 3.770 2.998 2.136 3.302 . 0 0 "[ . 1 . 2]" 1
729 1 82 LYS HB3 1 82 LYS QD . . 3.770 2.196 1.973 3.017 . 0 0 "[ . 1 . 2]" 1
730 1 68 PRO QG 1 71 LYS HB2 . . 3.300 2.025 1.988 2.106 . 0 0 "[ . 1 . 2]" 1
731 1 51 SER HA 1 86 SER HB3 . . 4.110 2.949 2.760 3.220 . 0 0 "[ . 1 . 2]" 1
732 1 75 SER HB2 1 76 GLY H . . 4.180 3.572 3.002 4.165 . 0 0 "[ . 1 . 2]" 1
733 1 75 SER HB3 1 76 GLY H . . 4.180 4.051 3.188 4.180 . 0 0 "[ . 1 . 2]" 1
734 1 75 SER HB3 1 99 THR HB . . 4.310 3.623 2.337 4.316 0.006 15 0 "[ . 1 . 2]" 1
735 1 60 LYS HB3 1 61 ILE H . . 4.730 2.876 2.368 3.208 . 0 0 "[ . 1 . 2]" 1
736 1 49 SER HB2 1 51 SER H . . 4.670 4.159 3.131 4.682 0.012 15 0 "[ . 1 . 2]" 1
737 1 67 ILE MG 1 72 GLN HG2 . . 4.000 2.559 2.091 2.815 . 0 0 "[ . 1 . 2]" 1
738 1 85 MET H 1 85 MET HG2 . . 4.320 3.376 2.766 4.002 . 0 0 "[ . 1 . 2]" 1
739 1 85 MET HG2 1 90 TYR QE . . 4.680 4.447 4.067 4.670 . 0 0 "[ . 1 . 2]" 1
740 1 85 MET H 1 85 MET HG3 . . 4.320 3.878 3.349 4.319 . 0 0 "[ . 1 . 2]" 1
741 1 15 VAL HB 1 91 ASN HD22 . . 4.120 3.260 2.989 3.765 . 0 0 "[ . 1 . 2]" 1
742 1 15 VAL HB 1 20 PHE QD . . 3.980 2.428 2.176 2.696 . 0 0 "[ . 1 . 2]" 1
743 1 15 VAL HB 1 16 PRO HD2 . . 4.080 3.935 3.876 4.030 . 0 0 "[ . 1 . 2]" 1
744 1 15 VAL HB 1 16 PRO HD3 . . 5.020 4.870 4.827 4.913 . 0 0 "[ . 1 . 2]" 1
745 1 45 ILE MD 1 60 LYS HB3 . . 3.850 2.305 2.075 2.720 . 0 0 "[ . 1 . 2]" 1
746 1 67 ILE MG 1 72 GLN HG3 . . 4.000 3.498 3.223 3.899 . 0 0 "[ . 1 . 2]" 1
747 1 33 SER HB2 1 34 LYS H . . 4.470 3.529 2.577 3.994 . 0 0 "[ . 1 . 2]" 1
748 1 33 SER HB2 1 97 ILE MG . . 4.530 3.991 3.347 4.526 . 0 0 "[ . 1 . 2]" 1
749 1 33 SER HB3 1 97 ILE MG . . 4.530 4.128 3.102 4.536 0.006 16 0 "[ . 1 . 2]" 1
750 1 34 LYS HB2 1 35 PRO QD . . 4.250 3.503 2.248 3.831 . 0 0 "[ . 1 . 2]" 1
751 1 43 MET H 1 43 MET HG2 . . 4.270 1.963 1.897 2.147 . 0 0 "[ . 1 . 2]" 1
752 1 32 VAL HB 1 43 MET HG2 . . 3.900 2.128 2.021 2.247 . 0 0 "[ . 1 . 2]" 1
753 1 43 MET H 1 43 MET HG3 . . 4.270 3.412 3.175 3.623 . 0 0 "[ . 1 . 2]" 1
754 1 35 PRO HB2 1 100 LEU MD2 . . 4.490 3.725 3.368 4.166 . 0 0 "[ . 1 . 2]" 1
755 1 35 PRO HB2 1 102 LEU MD2 . . 4.780 3.586 2.205 4.702 . 0 0 "[ . 1 . 2]" 1
756 1 67 ILE MG 1 72 GLN HB3 . . 3.170 2.284 2.080 2.515 . 0 0 "[ . 1 . 2]" 1
757 1 71 LYS HA 1 103 ARG HB3 . . 4.290 3.735 3.105 4.211 . 0 0 "[ . 1 . 2]" 1
758 1 64 GLU HB3 1 65 ILE H . . 3.930 3.291 3.058 3.524 . 0 0 "[ . 1 . 2]" 1
759 1 64 GLU H 1 64 GLU HB3 . . 3.900 3.580 3.535 3.603 . 0 0 "[ . 1 . 2]" 1
760 1 17 GLU QB 1 18 ASP H . . 3.470 3.095 2.964 3.278 . 0 0 "[ . 1 . 2]" 1
761 1 61 ILE HA 1 64 GLU HB2 . . 3.670 3.029 2.760 3.258 . 0 0 "[ . 1 . 2]" 1
762 1 64 GLU HB2 1 65 ILE MG . . 3.970 2.963 2.807 3.162 . 0 0 "[ . 1 . 2]" 1
763 1 71 LYS HA 1 103 ARG HB2 . . 4.290 3.121 2.676 3.526 . 0 0 "[ . 1 . 2]" 1
764 1 20 PHE HA 1 20 PHE QD . . 3.690 2.965 2.736 3.104 . 0 0 "[ . 1 . 2]" 1
765 1 15 VAL MG1 1 20 PHE HA . . 3.950 2.576 2.155 3.040 . 0 0 "[ . 1 . 2]" 1
766 1 92 VAL HA 1 96 GLU HB2 . . 4.200 2.620 1.999 3.241 . 0 0 "[ . 1 . 2]" 1
767 1 92 VAL HA 1 92 VAL QG . . 3.060 2.094 2.041 2.206 . 0 0 "[ . 1 . 2]" 1
768 1 92 VAL QG 1 96 GLU HB2 . . 3.940 3.069 1.979 3.628 . 0 0 "[ . 1 . 2]" 1
769 1 96 GLU HB2 1 97 ILE H . . 4.680 4.154 3.961 4.357 . 0 0 "[ . 1 . 2]" 1
770 1 93 GLY H 1 96 GLU HB2 . . 4.430 3.194 2.143 3.790 . 0 0 "[ . 1 . 2]" 1
771 1 92 VAL QG 1 96 GLU HB3 . . 3.940 2.105 1.911 2.590 . 0 0 "[ . 1 . 2]" 1
772 1 52 GLU QB 1 87 LEU MD1 . . 4.250 2.747 2.354 4.053 . 0 0 "[ . 1 . 2]" 1
773 1 52 GLU QB 1 87 LEU MD2 . . 4.500 4.288 2.679 4.490 . 0 0 "[ . 1 . 2]" 1
774 1 41 GLN HB3 1 42 PHE H . . 4.340 3.318 2.080 4.106 . 0 0 "[ . 1 . 2]" 1
775 1 20 PHE HA 1 23 GLN HB2 . . 3.900 2.338 2.092 2.529 . 0 0 "[ . 1 . 2]" 1
776 1 45 ILE MG 1 60 LYS HD3 . . 4.010 2.274 1.881 2.824 . 0 0 "[ . 1 . 2]" 1
777 1 24 HIS HB3 1 50 LEU MD1 . . 3.780 3.384 3.091 3.691 . 0 0 "[ . 1 . 2]" 1
778 1 24 HIS HB2 1 50 LEU MD1 . . 3.790 2.161 1.979 2.517 . 0 0 "[ . 1 . 2]" 1
779 1 73 LYS HD2 1 73 LYS QG . . 2.570 2.291 2.144 2.532 . 0 0 "[ . 1 . 2]" 1
780 1 73 LYS HD3 1 73 LYS QG . . 2.570 2.381 2.144 2.532 . 0 0 "[ . 1 . 2]" 1
781 1 59 GLU QB 1 59 GLU HG2 . . 2.520 2.382 2.313 2.448 . 0 0 "[ . 1 . 2]" 1
782 1 59 GLU QB 1 60 LYS H . . 3.230 2.512 2.399 2.648 . 0 0 "[ . 1 . 2]" 1
783 1 56 SER HA 1 59 GLU QB . . 3.790 3.347 3.103 3.577 . 0 0 "[ . 1 . 2]" 1
784 1 67 ILE MG 1 71 LYS HD2 . . 4.820 3.517 2.136 4.247 . 0 0 "[ . 1 . 2]" 1
785 1 71 LYS HA 1 71 LYS HD2 . . 4.360 3.737 3.114 4.287 . 0 0 "[ . 1 . 2]" 1
786 1 15 VAL HA 1 16 PRO HD2 . . 3.120 2.149 2.078 2.179 . 0 0 "[ . 1 . 2]" 1
787 1 17 GLU QB 1 89 HIS HA . . 3.350 2.188 1.976 2.509 . 0 0 "[ . 1 . 2]" 1
788 1 17 GLU HA 1 20 PHE H . . 4.330 3.809 3.487 4.234 . 0 0 "[ . 1 . 2]" 1
789 1 17 GLU HA 1 21 LEU H . . 4.660 3.729 3.373 3.909 . 0 0 "[ . 1 . 2]" 1
790 1 17 GLU HA 1 89 HIS HA . . 3.910 2.988 2.700 3.404 . 0 0 "[ . 1 . 2]" 1
791 1 17 GLU HA 1 20 PHE HB3 . . 3.940 2.677 2.394 2.974 . 0 0 "[ . 1 . 2]" 1
792 1 17 GLU HA 1 20 PHE HB2 . . 4.370 3.565 3.241 4.208 . 0 0 "[ . 1 . 2]" 1
793 1 17 GLU HA 1 17 GLU HG2 . . 3.830 3.660 3.583 3.738 . 0 0 "[ . 1 . 2]" 1
794 1 17 GLU HA 1 88 ALA MB . . 3.960 2.463 2.099 2.853 . 0 0 "[ . 1 . 2]" 1
795 1 51 SER HA 1 86 SER HB2 . . 4.110 4.040 3.857 4.108 . 0 0 "[ . 1 . 2]" 1
796 1 51 SER HA 1 88 ALA MB . . 4.180 3.062 2.713 3.379 . 0 0 "[ . 1 . 2]" 1
797 1 21 LEU QD 1 51 SER HA . . 4.070 2.473 2.143 2.726 . 0 0 "[ . 1 . 2]" 1
798 1 103 ARG H 1 103 ARG QG . . 4.230 3.800 3.482 4.066 . 0 0 "[ . 1 . 2]" 1
799 1 35 PRO HB3 1 100 LEU HG . . 4.180 3.105 2.430 3.516 . 0 0 "[ . 1 . 2]" 1
800 1 60 LYS HA 1 63 GLY H . . 4.360 4.142 3.962 4.285 . 0 0 "[ . 1 . 2]" 1
801 1 60 LYS HA 1 60 LYS HG2 . . 3.710 3.025 2.409 3.446 . 0 0 "[ . 1 . 2]" 1
802 1 67 ILE HA 1 68 PRO QG . . 4.090 3.867 3.854 3.872 . 0 0 "[ . 1 . 2]" 1
803 1 87 LEU HA 1 87 LEU HG . . 4.180 3.246 3.110 3.734 . 0 0 "[ . 1 . 2]" 1
804 1 102 LEU H 1 102 LEU HG . . 5.400 4.439 3.939 4.600 . 0 0 "[ . 1 . 2]" 1
805 1 102 LEU HG 1 103 ARG H . . 5.500 2.866 1.983 4.652 . 0 0 "[ . 1 . 2]" 1
806 1 71 LYS HA 1 103 ARG QG . . 4.670 3.985 2.874 4.662 . 0 0 "[ . 1 . 2]" 1
807 1 30 ILE HG12 1 30 ILE MG . . 3.670 3.138 2.150 3.200 . 0 0 "[ . 1 . 2]" 1
808 1 58 LYS HA 1 61 ILE HB . . 3.710 3.544 3.325 3.684 . 0 0 "[ . 1 . 2]" 1
809 1 58 LYS HA 1 58 LYS HG2 . . 3.790 2.782 2.328 3.268 . 0 0 "[ . 1 . 2]" 1
810 1 58 LYS HA 1 58 LYS HG3 . . 3.790 2.757 2.089 3.632 . 0 0 "[ . 1 . 2]" 1
811 1 58 LYS HA 1 61 ILE MD . . 3.460 2.741 2.263 3.293 . 0 0 "[ . 1 . 2]" 1
812 1 58 LYS HA 1 74 LEU MD1 . . 3.680 2.859 2.560 3.107 . 0 0 "[ . 1 . 2]" 1
813 1 59 GLU HA 1 59 GLU HG3 . . 3.860 3.194 3.065 3.380 . 0 0 "[ . 1 . 2]" 1
814 1 59 GLU HA 1 59 GLU HG2 . . 3.430 2.492 2.393 2.635 . 0 0 "[ . 1 . 2]" 1
815 1 59 GLU HA 1 69 ALA MB . . 3.910 3.773 3.619 3.880 . 0 0 "[ . 1 . 2]" 1
816 1 27 PRO QG 1 48 GLN HA . . 3.900 3.825 3.666 3.889 . 0 0 "[ . 1 . 2]" 1
817 1 90 TYR HA 1 90 TYR QD . . 3.380 2.211 2.007 2.634 . 0 0 "[ . 1 . 2]" 1
818 1 77 LYS HA 1 77 LYS QD . . 3.650 2.934 2.217 3.669 0.019 19 0 "[ . 1 . 2]" 1
819 1 21 LEU H 1 21 LEU HG . . 4.690 4.390 4.085 4.535 . 0 0 "[ . 1 . 2]" 1
820 1 45 ILE HA 1 45 ILE QG . . 3.990 2.865 2.795 2.937 . 0 0 "[ . 1 . 2]" 1
821 1 45 ILE QG 1 61 ILE MD . . 3.330 2.756 2.123 3.319 . 0 0 "[ . 1 . 2]" 1
822 1 50 LEU H 1 50 LEU MD1 . . 4.040 3.586 3.237 3.737 . 0 0 "[ . 1 . 2]" 1
823 1 20 PHE QD 1 50 LEU MD1 . . 4.190 2.586 2.027 3.266 . 0 0 "[ . 1 . 2]" 1
824 1 50 LEU HA 1 50 LEU MD1 . . 3.980 3.878 3.852 3.922 . 0 0 "[ . 1 . 2]" 1
825 1 50 LEU HB2 1 50 LEU MD1 . . 2.780 2.201 2.009 2.307 . 0 0 "[ . 1 . 2]" 1
826 1 50 LEU HB3 1 50 LEU MD1 . . 3.190 2.448 2.320 2.657 . 0 0 "[ . 1 . 2]" 1
827 1 75 SER HA 1 81 LEU HG . . 4.340 2.879 2.515 3.311 . 0 0 "[ . 1 . 2]" 1
828 1 74 LEU MD1 1 75 SER H . . 5.500 4.881 4.781 4.998 . 0 0 "[ . 1 . 2]" 1
829 1 74 LEU HA 1 74 LEU MD1 . . 4.730 3.809 3.789 3.854 . 0 0 "[ . 1 . 2]" 1
830 1 57 LEU H 1 74 LEU MD1 . . 5.500 4.728 4.359 5.065 . 0 0 "[ . 1 . 2]" 1
831 1 57 LEU HA 1 57 LEU MD1 . . 4.320 2.957 2.142 3.679 . 0 0 "[ . 1 . 2]" 1
832 1 54 VAL HA 1 57 LEU MD1 . . 5.180 4.135 3.048 5.180 . 0 0 "[ . 1 . 2]" 1
833 1 54 VAL HA 1 74 LEU MD1 . . 5.430 4.111 3.789 4.404 . 0 0 "[ . 1 . 2]" 1
834 1 74 LEU MD1 1 81 LEU MD1 . . 4.590 3.041 2.717 3.344 . 0 0 "[ . 1 . 2]" 1
835 1 45 ILE HA 1 45 ILE MG . . 3.490 2.344 2.254 2.482 . 0 0 "[ . 1 . 2]" 1
836 1 45 ILE HA 1 45 ILE MD . . 3.500 2.148 1.968 2.291 . 0 0 "[ . 1 . 2]" 1
837 1 30 ILE HA 1 30 ILE MG . . 3.690 2.327 2.219 2.578 . 0 0 "[ . 1 . 2]" 1
838 1 87 LEU HA 1 92 VAL HB . . 4.570 3.411 2.824 4.516 . 0 0 "[ . 1 . 2]" 1
839 1 87 LEU HA 1 87 LEU MD2 . . 3.240 2.043 1.973 2.235 . 0 0 "[ . 1 . 2]" 1
840 1 61 ILE MG 1 65 ILE HG12 . . 3.130 2.870 2.304 3.128 . 0 0 "[ . 1 . 2]" 1
841 1 65 ILE HG13 1 67 ILE HA . . 4.010 3.953 3.822 4.012 0.002 14 0 "[ . 1 . 2]" 1
842 1 60 LYS HA 1 60 LYS HG3 . . 3.710 2.395 2.114 3.492 . 0 0 "[ . 1 . 2]" 1
843 1 98 LEU HB2 1 98 LEU MD1 . . 3.310 2.299 2.173 2.449 . 0 0 "[ . 1 . 2]" 1
844 1 57 LEU HA 1 60 LYS HB2 . . 3.700 3.105 2.797 3.401 . 0 0 "[ . 1 . 2]" 1
845 1 11 GLU HA 1 11 GLU HG3 . . 3.810 2.995 2.544 3.488 . 0 0 "[ . 1 . 2]" 1
846 1 21 LEU HA 1 24 HIS H . . 4.310 4.122 3.970 4.292 . 0 0 "[ . 1 . 2]" 1
847 1 21 LEU HA 1 21 LEU HG . . 3.820 2.791 2.131 3.649 . 0 0 "[ . 1 . 2]" 1
848 1 21 LEU HA 1 21 LEU QD . . 3.340 2.359 1.854 2.951 . 0 0 "[ . 1 . 2]" 1
849 1 75 SER HA 1 81 LEU MD1 . . 4.590 3.514 2.636 4.125 . 0 0 "[ . 1 . 2]" 1
850 1 81 LEU HB3 1 81 LEU MD1 . . 3.530 2.542 2.357 2.807 . 0 0 "[ . 1 . 2]" 1
851 1 74 LEU HB3 1 81 LEU MD1 . . 3.400 2.104 1.933 2.395 . 0 0 "[ . 1 . 2]" 1
852 1 81 LEU HB2 1 81 LEU MD1 . . 3.390 2.151 1.975 2.297 . 0 0 "[ . 1 . 2]" 1
853 1 74 LEU HB2 1 81 LEU MD1 . . 3.710 3.360 3.071 3.575 . 0 0 "[ . 1 . 2]" 1
854 1 27 PRO HA 1 48 GLN HA . . 3.680 3.316 2.687 3.673 . 0 0 "[ . 1 . 2]" 1
855 1 71 LYS HA 1 71 LYS HG2 . . 3.970 2.814 2.068 3.423 . 0 0 "[ . 1 . 2]" 1
856 1 71 LYS HA 1 71 LYS HG3 . . 3.970 2.563 2.063 3.588 . 0 0 "[ . 1 . 2]" 1
857 1 68 PRO QG 1 71 LYS HG3 . . 4.070 3.188 2.050 4.012 . 0 0 "[ . 1 . 2]" 1
858 1 21 LEU QD 1 22 ALA HA . . 4.230 4.032 3.731 4.230 . 0 0 "[ . 1 . 2]" 1
859 1 21 LEU HB2 1 21 LEU QD . . 3.130 2.096 1.928 2.296 . 0 0 "[ . 1 . 2]" 1
860 1 11 GLU HA 1 11 GLU HG2 . . 3.810 2.230 2.023 2.584 . 0 0 "[ . 1 . 2]" 1
861 1 102 LEU MD1 1 103 ARG H . . 5.340 3.205 1.901 4.671 . 0 0 "[ . 1 . 2]" 1
862 1 21 LEU HB3 1 21 LEU QD . . 3.130 2.137 1.933 2.307 . 0 0 "[ . 1 . 2]" 1
863 1 35 PRO HB2 1 102 LEU MD1 . . 4.780 3.090 1.983 4.781 0.001 15 0 "[ . 1 . 2]" 1
864 1 23 GLN HB2 1 24 HIS HD2 . . 4.560 3.660 3.490 3.927 . 0 0 "[ . 1 . 2]" 1
865 1 54 VAL HB 1 83 ASP HA . . 3.070 2.092 1.999 2.381 . 0 0 "[ . 1 . 2]" 1
866 1 54 VAL MG2 1 83 ASP HA . . 4.280 3.674 3.380 3.814 . 0 0 "[ . 1 . 2]" 1
867 1 18 ASP HA 1 21 LEU H . . 4.470 4.181 3.907 4.374 . 0 0 "[ . 1 . 2]" 1
868 1 18 ASP HA 1 21 LEU HB3 . . 4.270 4.162 3.922 4.263 . 0 0 "[ . 1 . 2]" 1
869 1 18 ASP HA 1 21 LEU QD . . 4.150 3.791 3.216 4.129 . 0 0 "[ . 1 . 2]" 1
870 1 11 GLU HA 1 14 LEU MD1 . . 3.550 2.852 2.110 3.461 . 0 0 "[ . 1 . 2]" 1
871 1 14 LEU HB2 1 14 LEU MD1 . . 3.030 2.153 1.999 2.318 . 0 0 "[ . 1 . 2]" 1
872 1 17 GLU HG2 1 18 ASP HA . . 3.990 3.718 3.585 3.895 . 0 0 "[ . 1 . 2]" 1
873 1 17 GLU HG3 1 18 ASP HA . . 4.390 4.206 3.928 4.380 . 0 0 "[ . 1 . 2]" 1
874 1 96 GLU HA 1 96 GLU HG2 . . 4.010 3.559 2.220 3.854 . 0 0 "[ . 1 . 2]" 1
875 1 96 GLU HA 1 96 GLU HG3 . . 4.010 2.634 2.162 3.582 . 0 0 "[ . 1 . 2]" 1
876 1 73 LYS HA 1 73 LYS QG . . 3.950 2.243 2.086 2.441 . 0 0 "[ . 1 . 2]" 1
877 1 54 VAL MG1 1 81 LEU MD1 . . 4.150 2.574 2.296 2.980 . 0 0 "[ . 1 . 2]" 1
878 1 54 VAL MG1 1 81 LEU HB3 . . 3.850 2.239 1.979 2.864 . 0 0 "[ . 1 . 2]" 1
879 1 33 SER HA 1 42 PHE HA . . 4.080 3.065 2.845 3.328 . 0 0 "[ . 1 . 2]" 1
880 1 75 SER HA 1 80 PHE HA . . 4.210 2.226 1.996 2.570 . 0 0 "[ . 1 . 2]" 1
881 1 103 ARG HA 1 103 ARG QG . . 3.600 2.238 2.040 2.541 . 0 0 "[ . 1 . 2]" 1
882 1 54 VAL MG1 1 90 TYR QE . . 4.820 4.413 3.806 4.761 . 0 0 "[ . 1 . 2]" 1
883 1 54 VAL MG1 1 83 ASP HA . . 4.280 3.129 2.310 3.726 . 0 0 "[ . 1 . 2]" 1
884 1 54 VAL MG1 1 81 LEU MD2 . . 4.650 3.644 3.195 4.204 . 0 0 "[ . 1 . 2]" 1
885 1 57 LEU HA 1 57 LEU MD2 . . 3.560 2.824 1.931 3.558 . 0 0 "[ . 1 . 2]" 1
886 1 72 GLN HA 1 102 LEU HA . . 4.380 2.856 2.683 2.975 . 0 0 "[ . 1 . 2]" 1
887 1 72 GLN HA 1 72 GLN HG2 . . 4.240 3.956 3.789 4.041 . 0 0 "[ . 1 . 2]" 1
888 1 67 ILE MG 1 72 GLN HA . . 4.170 3.267 3.160 3.442 . 0 0 "[ . 1 . 2]" 1
889 1 100 LEU HA 1 100 LEU MD1 . . 3.500 2.436 2.134 2.661 . 0 0 "[ . 1 . 2]" 1
890 1 72 GLN HA 1 100 LEU MD1 . . 4.270 3.729 3.044 4.078 . 0 0 "[ . 1 . 2]" 1
891 1 72 GLN HG2 1 100 LEU MD1 . . 4.180 4.061 3.586 4.181 0.001 3 0 "[ . 1 . 2]" 1
892 1 72 GLN HB2 1 100 LEU MD1 . . 3.440 2.003 1.866 2.158 . 0 0 "[ . 1 . 2]" 1
893 1 50 LEU HA 1 50 LEU HG . . 3.770 2.953 2.822 3.143 . 0 0 "[ . 1 . 2]" 1
894 1 50 LEU HA 1 87 LEU MD1 . . 4.050 2.666 2.355 3.752 . 0 0 "[ . 1 . 2]" 1
895 1 50 LEU HA 1 50 LEU MD2 . . 3.380 2.207 1.986 2.514 . 0 0 "[ . 1 . 2]" 1
896 1 47 VAL MG2 1 50 LEU HA . . 3.620 2.543 2.374 2.810 . 0 0 "[ . 1 . 2]" 1
897 1 102 LEU H 1 102 LEU MD2 . . 5.150 4.251 3.219 4.543 . 0 0 "[ . 1 . 2]" 1
898 1 102 LEU MD2 1 103 ARG H . . 5.340 3.626 1.826 4.516 . 0 0 "[ . 1 . 2]" 1
899 1 102 LEU HA 1 102 LEU MD2 . . 3.970 3.418 1.996 3.933 . 0 0 "[ . 1 . 2]" 1
900 1 71 LYS HA 1 71 LYS HD3 . . 4.360 4.081 3.431 4.335 . 0 0 "[ . 1 . 2]" 1
901 1 69 ALA HA 1 72 GLN HE21 . . 4.050 3.661 3.264 4.028 . 0 0 "[ . 1 . 2]" 1
902 1 69 ALA HA 1 72 GLN HE22 . . 4.450 4.110 3.832 4.360 . 0 0 "[ . 1 . 2]" 1
903 1 58 LYS HB2 1 69 ALA HA . . 3.830 3.662 3.491 3.805 . 0 0 "[ . 1 . 2]" 1
904 1 58 LYS HB3 1 69 ALA HA . . 3.830 2.331 2.061 2.569 . 0 0 "[ . 1 . 2]" 1
905 1 62 ALA MB 1 69 ALA HA . . 3.660 3.574 3.506 3.642 . 0 0 "[ . 1 . 2]" 1
906 1 41 GLN HA 1 41 GLN HG2 . . 4.240 2.933 2.032 4.143 . 0 0 "[ . 1 . 2]" 1
907 1 41 GLN HA 1 41 GLN HG3 . . 4.240 3.516 3.046 3.895 . 0 0 "[ . 1 . 2]" 1
908 1 62 ALA HA 1 67 ILE H . . 3.640 2.629 2.421 2.799 . 0 0 "[ . 1 . 2]" 1
909 1 62 ALA HA 1 72 GLN HE21 . . 3.950 2.069 1.894 2.449 . 0 0 "[ . 1 . 2]" 1
910 1 62 ALA HA 1 72 GLN HE22 . . 4.190 2.891 2.222 3.644 . 0 0 "[ . 1 . 2]" 1
911 1 62 ALA HA 1 67 ILE HB . . 3.750 3.504 3.361 3.691 . 0 0 "[ . 1 . 2]" 1
912 1 62 ALA HA 1 65 ILE HG12 . . 4.340 2.377 2.099 2.655 . 0 0 "[ . 1 . 2]" 1
913 1 61 ILE MG 1 62 ALA HA . . 3.990 3.744 3.383 3.933 . 0 0 "[ . 1 . 2]" 1
914 1 28 ALA MB 1 50 LEU HG . . 3.960 2.681 2.297 3.084 . 0 0 "[ . 1 . 2]" 1
915 1 28 ALA MB 1 50 LEU MD2 . . 3.060 2.001 1.741 2.270 . 0 0 "[ . 1 . 2]" 1
916 1 28 ALA MB 1 47 VAL MG2 . . 3.120 3.058 2.933 3.121 0.001 9 0 "[ . 1 . 2]" 1
917 1 87 LEU HB2 1 87 LEU MD2 . . 3.620 3.160 2.649 3.193 . 0 0 "[ . 1 . 2]" 1
918 1 87 LEU HB3 1 87 LEU MD2 . . 3.130 2.414 2.229 3.139 0.009 13 0 "[ . 1 . 2]" 1
919 1 90 TYR HA 1 90 TYR QE . . 4.630 4.259 4.150 4.441 . 0 0 "[ . 1 . 2]" 1
920 1 85 MET HB2 1 90 TYR QE . . 3.430 2.371 2.015 2.685 . 0 0 "[ . 1 . 2]" 1
921 1 85 MET HB3 1 90 TYR QE . . 3.990 2.366 2.027 3.141 . 0 0 "[ . 1 . 2]" 1
922 1 78 ALA MB 1 90 TYR QE . . 4.650 3.035 2.300 3.941 . 0 0 "[ . 1 . 2]" 1
923 1 31 ARG HA 1 44 GLU HA . . 4.160 3.222 2.630 3.817 . 0 0 "[ . 1 . 2]" 1
924 1 98 LEU HA 1 98 LEU MD2 . . 3.290 2.168 1.974 2.328 . 0 0 "[ . 1 . 2]" 1
925 1 76 GLY HA2 1 98 LEU MD2 . . 4.080 2.322 1.976 2.752 . 0 0 "[ . 1 . 2]" 1
926 1 86 SER HA 1 87 LEU MD2 . . 4.450 4.010 3.133 4.337 . 0 0 "[ . 1 . 2]" 1
927 1 98 LEU HB2 1 98 LEU MD2 . . 3.220 3.184 3.173 3.194 . 0 0 "[ . 1 . 2]" 1
928 1 20 PHE HZ 1 88 ALA HA . . 4.560 4.452 4.332 4.544 . 0 0 "[ . 1 . 2]" 1
929 1 20 PHE QD 1 88 ALA HA . . 3.430 2.143 2.005 2.626 . 0 0 "[ . 1 . 2]" 1
930 1 50 LEU HB3 1 88 ALA HA . . 3.830 3.331 3.074 3.640 . 0 0 "[ . 1 . 2]" 1
931 1 88 ALA HA 1 91 ASN HA . . 4.080 3.650 3.372 4.083 0.003 20 0 "[ . 1 . 2]" 1
932 1 50 LEU MD1 1 88 ALA HA . . 4.410 3.334 2.796 3.909 . 0 0 "[ . 1 . 2]" 1
933 1 32 VAL MG1 1 97 ILE MG . . 4.660 4.415 4.157 4.655 . 0 0 "[ . 1 . 2]" 1
934 1 32 VAL MG1 1 98 LEU MD1 . . 4.860 4.048 3.782 4.378 . 0 0 "[ . 1 . 2]" 1
935 1 50 LEU HB2 1 50 LEU MD2 . . 3.340 3.173 3.131 3.189 . 0 0 "[ . 1 . 2]" 1
936 1 14 LEU MD2 1 91 ASN HD22 . . 4.980 3.476 2.873 3.949 . 0 0 "[ . 1 . 2]" 1
937 1 14 LEU HA 1 14 LEU MD2 . . 3.070 2.306 1.997 2.822 . 0 0 "[ . 1 . 2]" 1
938 1 14 LEU MD2 1 91 ASN HB3 . . 4.400 4.037 3.484 4.403 0.003 4 0 "[ . 1 . 2]" 1
939 1 14 LEU HB2 1 14 LEU MD2 . . 3.360 3.150 3.046 3.185 . 0 0 "[ . 1 . 2]" 1
940 1 14 LEU HB3 1 14 LEU MD2 . . 3.400 2.205 1.962 2.347 . 0 0 "[ . 1 . 2]" 1
941 1 14 LEU HA 1 14 LEU HG . . 3.790 2.793 2.602 3.033 . 0 0 "[ . 1 . 2]" 1
942 1 81 LEU HA 1 90 TYR QE . . 4.420 3.291 2.918 3.515 . 0 0 "[ . 1 . 2]" 1
943 1 81 LEU HA 1 81 LEU HG . . 4.210 3.009 2.717 3.193 . 0 0 "[ . 1 . 2]" 1
944 1 32 VAL HA 1 32 VAL MG1 . . 3.720 2.274 2.162 2.386 . 0 0 "[ . 1 . 2]" 1
945 1 32 VAL MG1 1 43 MET ME . . 3.420 2.276 1.915 2.617 . 0 0 "[ . 1 . 2]" 1
946 1 32 VAL MG1 1 100 LEU HB2 . . 3.690 2.392 2.133 2.746 . 0 0 "[ . 1 . 2]" 1
947 1 32 VAL MG1 1 100 LEU HB3 . . 3.690 3.055 2.710 3.573 . 0 0 "[ . 1 . 2]" 1
948 1 29 THR MG 1 30 ILE H . . 3.970 2.822 2.171 3.091 . 0 0 "[ . 1 . 2]" 1
949 1 29 THR H 1 29 THR MG . . 4.440 3.794 3.773 3.855 . 0 0 "[ . 1 . 2]" 1
950 1 47 VAL H 1 47 VAL MG1 . . 3.910 3.035 2.885 3.270 . 0 0 "[ . 1 . 2]" 1
951 1 47 VAL HA 1 47 VAL MG1 . . 3.440 2.223 2.136 2.349 . 0 0 "[ . 1 . 2]" 1
952 1 47 VAL MG1 1 52 GLU HG3 . . 3.450 3.371 3.209 3.452 0.002 18 0 "[ . 1 . 2]" 1
953 1 47 VAL MG1 1 52 GLU QB . . 3.770 3.367 3.063 3.495 . 0 0 "[ . 1 . 2]" 1
954 1 91 ASN H 1 92 VAL QG . . 4.190 3.826 3.563 4.182 . 0 0 "[ . 1 . 2]" 1
955 1 92 VAL QG 1 96 GLU H . . 4.440 3.578 2.757 3.949 . 0 0 "[ . 1 . 2]" 1
956 1 87 LEU HA 1 92 VAL QG . . 4.170 3.284 2.570 3.683 . 0 0 "[ . 1 . 2]" 1
957 1 92 VAL QG 1 96 GLU HG3 . . 4.180 3.235 2.474 3.983 . 0 0 "[ . 1 . 2]" 1
958 1 87 LEU HB3 1 92 VAL QG . . 3.680 2.952 1.812 3.575 . 0 0 "[ . 1 . 2]" 1
959 1 74 LEU MD2 1 100 LEU HA . . 3.350 2.634 2.325 2.928 . 0 0 "[ . 1 . 2]" 1
960 1 99 THR HA 1 99 THR MG . . 3.720 2.343 2.215 2.444 . 0 0 "[ . 1 . 2]" 1
961 1 46 THR MG 1 47 VAL H . . 3.580 2.152 1.929 2.580 . 0 0 "[ . 1 . 2]" 1
962 1 46 THR H 1 46 THR MG . . 3.910 3.815 3.789 3.848 . 0 0 "[ . 1 . 2]" 1
963 1 29 THR H 1 46 THR MG . . 4.910 3.396 2.876 4.241 . 0 0 "[ . 1 . 2]" 1
964 1 46 THR HA 1 46 THR MG . . 3.620 2.334 2.162 2.443 . 0 0 "[ . 1 . 2]" 1
965 1 28 ALA HA 1 46 THR MG . . 4.070 3.591 3.354 4.018 . 0 0 "[ . 1 . 2]" 1
966 1 46 THR MG 1 47 VAL HA . . 4.460 3.731 3.533 3.959 . 0 0 "[ . 1 . 2]" 1
967 1 27 PRO HB2 1 46 THR MG . . 4.060 2.030 1.859 2.346 . 0 0 "[ . 1 . 2]" 1
968 1 27 PRO QG 1 46 THR MG . . 4.690 3.202 2.931 3.411 . 0 0 "[ . 1 . 2]" 1
969 1 27 PRO HB3 1 46 THR MG . . 4.060 3.139 2.906 3.402 . 0 0 "[ . 1 . 2]" 1
970 1 102 LEU HA 1 102 LEU MD1 . . 3.970 2.562 2.058 3.769 . 0 0 "[ . 1 . 2]" 1
971 1 15 VAL MG2 1 20 PHE H . . 5.290 4.758 4.324 5.099 . 0 0 "[ . 1 . 2]" 1
972 1 15 VAL MG2 1 91 ASN HD22 . . 4.280 4.247 4.152 4.301 0.021 3 0 "[ . 1 . 2]" 1
973 1 15 VAL MG2 1 20 PHE QD . . 3.840 3.255 3.044 3.591 . 0 0 "[ . 1 . 2]" 1
974 1 15 VAL HA 1 15 VAL MG2 . . 3.500 2.383 2.287 2.499 . 0 0 "[ . 1 . 2]" 1
975 1 14 LEU HA 1 15 VAL MG2 . . 4.070 3.508 3.349 3.659 . 0 0 "[ . 1 . 2]" 1
976 1 15 VAL MG2 1 16 PRO HD3 . . 4.500 4.172 4.035 4.370 . 0 0 "[ . 1 . 2]" 1
977 1 15 VAL MG2 1 20 PHE HB2 . . 4.470 4.151 3.621 4.396 . 0 0 "[ . 1 . 2]" 1
978 1 54 VAL MG2 1 81 LEU MD1 . . 4.150 2.994 2.438 3.528 . 0 0 "[ . 1 . 2]" 1
979 1 54 VAL H 1 54 VAL MG2 . . 4.750 2.192 1.915 2.454 . 0 0 "[ . 1 . 2]" 1
980 1 28 ALA MB 1 94 ALA HA . . 4.130 3.949 3.517 4.128 . 0 0 "[ . 1 . 2]" 1
981 1 32 VAL HA 1 32 VAL MG2 . . 3.650 2.416 2.328 2.511 . 0 0 "[ . 1 . 2]" 1
982 1 81 LEU MD2 1 90 TYR QE . . 3.890 2.839 2.544 3.364 . 0 0 "[ . 1 . 2]" 1
983 1 81 LEU MD2 1 90 TYR QD . . 3.870 2.700 2.234 3.088 . 0 0 "[ . 1 . 2]" 1
984 1 81 LEU HA 1 81 LEU MD2 . . 3.620 2.375 1.999 2.742 . 0 0 "[ . 1 . 2]" 1
985 1 81 LEU MD2 1 90 TYR HB2 . . 4.830 3.552 3.238 4.036 . 0 0 "[ . 1 . 2]" 1
986 1 78 ALA MB 1 81 LEU MD2 . . 3.750 3.611 3.388 3.747 . 0 0 "[ . 1 . 2]" 1
987 1 81 LEU MD2 1 98 LEU MD2 . . 3.610 2.765 2.321 3.198 . 0 0 "[ . 1 . 2]" 1
988 1 15 VAL HA 1 15 VAL MG1 . . 3.570 2.406 2.301 2.469 . 0 0 "[ . 1 . 2]" 1
989 1 15 VAL MG1 1 16 PRO HD2 . . 3.650 1.838 1.808 1.922 . 0 0 "[ . 1 . 2]" 1
990 1 15 VAL MG1 1 19 GLN QB . . 3.000 2.113 1.809 2.422 . 0 0 "[ . 1 . 2]" 1
991 1 74 LEU HA 1 100 LEU HA . . 3.980 2.883 2.789 2.993 . 0 0 "[ . 1 . 2]" 1
992 1 74 LEU HA 1 74 LEU HG . . 4.270 2.714 2.632 2.877 . 0 0 "[ . 1 . 2]" 1
993 1 74 LEU HA 1 100 LEU MD1 . . 4.060 3.514 3.098 3.874 . 0 0 "[ . 1 . 2]" 1
994 1 74 LEU HA 1 74 LEU MD2 . . 3.280 2.107 1.966 2.270 . 0 0 "[ . 1 . 2]" 1
995 1 53 ASN HA 1 86 SER HA . . 3.490 2.226 2.010 2.526 . 0 0 "[ . 1 . 2]" 1
996 1 16 PRO HD2 1 19 GLN QB . . 3.830 2.466 2.139 2.723 . 0 0 "[ . 1 . 2]" 1
997 1 15 VAL HA 1 16 PRO HD3 . . 3.430 2.255 2.252 2.266 . 0 0 "[ . 1 . 2]" 1
998 1 15 VAL MG1 1 16 PRO HD3 . . 3.630 3.178 3.141 3.284 . 0 0 "[ . 1 . 2]" 1
999 1 10 ASP HB2 1 13 ALA MB . . 5.290 3.535 2.013 5.025 . 0 0 "[ . 1 . 2]" 1
1000 1 62 ALA MB 1 72 GLN HE21 . . 4.000 2.197 1.920 2.727 . 0 0 "[ . 1 . 2]" 1
1001 1 62 ALA MB 1 72 GLN HE22 . . 3.920 2.763 2.188 3.325 . 0 0 "[ . 1 . 2]" 1
1002 1 62 ALA MB 1 68 PRO HA . . 3.220 3.046 2.868 3.130 . 0 0 "[ . 1 . 2]" 1
1003 1 59 GLU HA 1 62 ALA MB . . 2.940 2.123 1.969 2.426 . 0 0 "[ . 1 . 2]" 1
1004 1 62 ALA MB 1 63 GLY QA . . 3.920 3.614 3.548 3.663 . 0 0 "[ . 1 . 2]" 1
1005 1 78 ALA MB 1 90 TYR QD . . 3.790 3.060 2.460 3.585 . 0 0 "[ . 1 . 2]" 1
1006 1 67 ILE HA 1 68 PRO HD3 . . 3.190 2.253 2.252 2.254 . 0 0 "[ . 1 . 2]" 1
1007 1 67 ILE MG 1 68 PRO HD3 . . 4.030 3.156 3.143 3.204 . 0 0 "[ . 1 . 2]" 1
1008 1 67 ILE HA 1 68 PRO HD2 . . 3.340 2.168 2.142 2.178 . 0 0 "[ . 1 . 2]" 1
1009 1 68 PRO HD2 1 71 LYS HD3 . . 4.900 3.272 2.038 4.892 . 0 0 "[ . 1 . 2]" 1
1010 1 67 ILE MG 1 68 PRO HD2 . . 3.700 1.821 1.808 1.852 . 0 0 "[ . 1 . 2]" 1
1011 1 46 THR HA 1 47 VAL MG2 . . 4.790 3.602 3.474 3.721 . 0 0 "[ . 1 . 2]" 1
1012 1 47 VAL MG2 1 52 GLU QB . . 4.300 3.508 3.085 4.207 . 0 0 "[ . 1 . 2]" 1
1013 1 47 VAL MG2 1 87 LEU HB2 . . 4.890 4.427 4.220 4.693 . 0 0 "[ . 1 . 2]" 1
1014 1 59 GLU HG3 1 69 ALA MB . . 4.150 3.747 3.436 4.015 . 0 0 "[ . 1 . 2]" 1
1015 1 59 GLU HG2 1 69 ALA MB . . 4.040 3.448 3.161 3.789 . 0 0 "[ . 1 . 2]" 1
1016 1 58 LYS HB2 1 69 ALA MB . . 3.680 2.112 1.973 2.365 . 0 0 "[ . 1 . 2]" 1
1017 1 91 ASN HA 1 91 ASN HD22 . . 4.210 3.815 3.655 3.993 . 0 0 "[ . 1 . 2]" 1
1018 1 20 PHE HZ 1 91 ASN HA . . 3.950 3.291 2.871 3.605 . 0 0 "[ . 1 . 2]" 1
1019 1 20 PHE QE 1 91 ASN HA . . 3.990 2.798 2.493 3.149 . 0 0 "[ . 1 . 2]" 1
1020 1 21 LEU H 1 88 ALA MB . . 3.360 3.191 3.049 3.362 0.002 20 0 "[ . 1 . 2]" 1
1021 1 20 PHE QD 1 88 ALA MB . . 3.870 2.036 1.962 2.351 . 0 0 "[ . 1 . 2]" 1
1022 1 21 LEU HA 1 88 ALA MB . . 3.860 2.813 2.333 3.069 . 0 0 "[ . 1 . 2]" 1
1023 1 17 GLU QB 1 88 ALA MB . . 3.620 3.110 2.784 3.326 . 0 0 "[ . 1 . 2]" 1
1024 1 17 GLU HG3 1 88 ALA MB . . 3.710 2.296 2.028 2.561 . 0 0 "[ . 1 . 2]" 1
1025 1 50 LEU MD1 1 88 ALA MB . . 4.300 3.010 2.498 3.672 . 0 0 "[ . 1 . 2]" 1
1026 1 21 LEU QD 1 88 ALA MB . . 3.590 2.039 1.830 2.171 . 0 0 "[ . 1 . 2]" 1
1027 1 45 ILE MG 1 60 LYS HB3 . . 3.750 2.303 2.074 2.591 . 0 0 "[ . 1 . 2]" 1
1028 1 21 LEU H 1 22 ALA MB . . 4.730 4.545 4.454 4.654 . 0 0 "[ . 1 . 2]" 1
1029 1 19 GLN HA 1 22 ALA MB . . 3.400 3.233 3.091 3.376 . 0 0 "[ . 1 . 2]" 1
1030 1 22 ALA MB 1 23 GLN HG2 . . 4.740 4.261 3.799 4.735 . 0 0 "[ . 1 . 2]" 1
1031 1 61 ILE H 1 61 ILE MG . . 4.410 3.761 3.744 3.771 . 0 0 "[ . 1 . 2]" 1
1032 1 61 ILE MG 1 62 ALA H . . 4.670 3.592 3.332 3.704 . 0 0 "[ . 1 . 2]" 1
1033 1 61 ILE MG 1 72 GLN HE21 . . 4.470 3.984 3.154 4.328 . 0 0 "[ . 1 . 2]" 1
1034 1 61 ILE MG 1 72 GLN HE22 . . 4.170 3.363 2.984 3.936 . 0 0 "[ . 1 . 2]" 1
1035 1 61 ILE MG 1 64 GLU HB3 . . 4.100 3.930 3.656 4.099 . 0 0 "[ . 1 . 2]" 1
1036 1 34 LYS HA 1 35 PRO QD . . 3.190 2.076 2.003 2.124 . 0 0 "[ . 1 . 2]" 1
1037 1 34 LYS HB3 1 35 PRO QD . . 4.250 2.168 1.986 3.213 . 0 0 "[ . 1 . 2]" 1
1038 1 35 PRO QD 1 100 LEU MD2 . . 3.430 2.112 1.858 2.692 . 0 0 "[ . 1 . 2]" 1
1039 1 24 HIS H 1 25 PRO HD2 . . 4.430 4.358 4.345 4.379 . 0 0 "[ . 1 . 2]" 1
1040 1 24 HIS HA 1 25 PRO HD2 . . 3.650 1.933 1.931 1.933 . 0 0 "[ . 1 . 2]" 1
1041 1 24 HIS HA 1 25 PRO HD3 . . 3.880 2.622 2.622 2.624 . 0 0 "[ . 1 . 2]" 1
1042 1 65 ILE H 1 65 ILE MG . . 3.700 2.145 1.944 2.354 . 0 0 "[ . 1 . 2]" 1
1043 1 65 ILE HA 1 65 ILE MG . . 3.460 2.397 2.304 2.466 . 0 0 "[ . 1 . 2]" 1
1044 1 35 PRO HB3 1 65 ILE MG . . 3.760 3.534 3.298 3.738 . 0 0 "[ . 1 . 2]" 1
1045 1 30 ILE HG13 1 30 ILE MG . . 3.670 2.340 2.192 2.769 . 0 0 "[ . 1 . 2]" 1
1046 1 33 SER H 1 97 ILE MG . . 3.760 3.443 3.125 3.759 . 0 0 "[ . 1 . 2]" 1
1047 1 42 PHE QD 1 97 ILE MG . . 4.780 4.129 3.625 4.633 . 0 0 "[ . 1 . 2]" 1
1048 1 32 VAL HA 1 97 ILE MG . . 4.360 3.145 2.805 3.477 . 0 0 "[ . 1 . 2]" 1
1049 1 97 ILE HA 1 97 ILE MG . . 3.670 2.383 2.305 2.473 . 0 0 "[ . 1 . 2]" 1
1050 1 31 ARG HB2 1 97 ILE MG . . 3.440 3.035 2.621 3.313 . 0 0 "[ . 1 . 2]" 1
1051 1 31 ARG HB3 1 97 ILE MG . . 4.520 2.912 2.470 3.446 . 0 0 "[ . 1 . 2]" 1
1052 1 34 LYS HA 1 43 MET ME . . 4.180 2.381 1.889 2.867 . 0 0 "[ . 1 . 2]" 1
1053 1 35 PRO QD 1 43 MET ME . . 4.400 2.821 2.444 3.174 . 0 0 "[ . 1 . 2]" 1
1054 1 67 ILE MD 1 67 ILE MG . . 2.400 1.969 1.829 2.297 . 0 0 "[ . 1 . 2]" 1
1055 1 67 ILE MG 1 71 LYS HB3 . . 3.940 2.079 1.885 2.339 . 0 0 "[ . 1 . 2]" 1
1056 1 67 ILE MG 1 68 PRO QG . . 3.920 2.870 2.845 2.943 . 0 0 "[ . 1 . 2]" 1
1057 1 65 ILE MD 1 67 ILE MG . . 3.420 3.080 2.922 3.269 . 0 0 "[ . 1 . 2]" 1
1058 1 85 MET ME 1 89 HIS HE1 . . 4.560 3.440 2.556 4.136 . 0 0 "[ . 1 . 2]" 1
1059 1 85 MET ME 1 89 HIS HB3 . . 4.870 3.224 2.134 3.972 . 0 0 "[ . 1 . 2]" 1
1060 1 85 MET ME 1 86 SER H . . 5.080 3.823 2.564 4.842 . 0 0 "[ . 1 . 2]" 1
1061 1 68 PRO HD2 1 71 LYS HD2 . . 4.900 3.755 3.195 4.324 . 0 0 "[ . 1 . 2]" 1
1062 1 10 ASP HB3 1 13 ALA MB . . 5.290 3.603 2.155 5.086 . 0 0 "[ . 1 . 2]" 1
1063 1 47 VAL MG2 1 52 GLU HG3 . . 5.500 4.134 3.791 4.566 . 0 0 "[ . 1 . 2]" 1
1064 1 12 SER QB 1 13 ALA MB . . 4.830 3.499 3.164 3.977 . 0 0 "[ . 1 . 2]" 1
1065 1 13 ALA HA 1 14 LEU HG . . 5.480 4.843 4.410 5.378 . 0 0 "[ . 1 . 2]" 1
1066 1 14 LEU MD2 1 91 ASN HD21 . . 5.500 4.308 3.786 4.735 . 0 0 "[ . 1 . 2]" 1
1067 1 15 VAL HB 1 20 PHE HB3 . . 5.040 4.570 3.985 4.921 . 0 0 "[ . 1 . 2]" 1
1068 1 15 VAL MG1 1 91 ASN HD22 . . 5.040 4.350 4.006 5.010 . 0 0 "[ . 1 . 2]" 1
1069 1 15 VAL H 1 15 VAL MG1 . . 4.170 3.782 3.768 3.807 . 0 0 "[ . 1 . 2]" 1
1070 1 15 VAL MG1 1 16 PRO HB2 . . 5.300 4.346 4.236 4.542 . 0 0 "[ . 1 . 2]" 1
1071 1 16 PRO HA 1 17 GLU HA . . 4.550 4.331 4.317 4.364 . 0 0 "[ . 1 . 2]" 1
1072 1 52 GLU QB 1 56 SER HB3 . . 4.470 3.156 2.777 3.544 . 0 0 "[ . 1 . 2]" 1
1073 1 17 GLU QB 1 20 PHE HB3 . . 5.430 4.569 4.263 4.863 . 0 0 "[ . 1 . 2]" 1
1074 1 20 PHE HB3 1 91 ASN HD21 . . 5.500 4.242 3.631 4.717 . 0 0 "[ . 1 . 2]" 1
1075 1 20 PHE HB2 1 88 ALA MB . . 4.510 3.966 3.615 4.501 . 0 0 "[ . 1 . 2]" 1
1076 1 15 VAL HB 1 20 PHE HB2 . . 4.190 2.848 2.299 3.210 . 0 0 "[ . 1 . 2]" 1
1077 1 20 PHE HB2 1 91 ASN HD21 . . 4.950 3.215 2.821 3.761 . 0 0 "[ . 1 . 2]" 1
1078 1 21 LEU HA 1 50 LEU MD1 . . 4.870 3.032 2.613 3.622 . 0 0 "[ . 1 . 2]" 1
1079 1 20 PHE HB3 1 21 LEU HA . . 5.090 4.087 3.968 4.229 . 0 0 "[ . 1 . 2]" 1
1080 1 20 PHE QD 1 21 LEU HA . . 4.910 3.314 3.025 3.727 . 0 0 "[ . 1 . 2]" 1
1081 1 21 LEU QD 1 22 ALA MB . . 5.500 4.078 3.876 4.318 . 0 0 "[ . 1 . 2]" 1
1082 1 22 ALA MB 1 23 GLN HG3 . . 4.740 4.428 4.075 4.630 . 0 0 "[ . 1 . 2]" 1
1083 1 22 ALA MB 1 25 PRO HB3 . . 5.090 5.070 5.017 5.089 . 0 0 "[ . 1 . 2]" 1
1084 1 21 LEU HA 1 24 HIS HB2 . . 5.020 4.766 4.626 4.950 . 0 0 "[ . 1 . 2]" 1
1085 1 25 PRO HB3 1 26 GLY H . . 4.190 3.585 3.310 4.128 . 0 0 "[ . 1 . 2]" 1
1086 1 23 GLN HA 1 25 PRO HD2 . . 5.500 5.309 5.284 5.326 . 0 0 "[ . 1 . 2]" 1
1087 1 23 GLN HA 1 25 PRO HD3 . . 4.600 4.236 4.178 4.272 . 0 0 "[ . 1 . 2]" 1
1088 1 26 GLY HA2 1 27 PRO QG . . 4.780 4.321 4.192 4.447 . 0 0 "[ . 1 . 2]" 1
1089 1 26 GLY HA3 1 27 PRO QG . . 4.780 4.008 3.915 4.115 . 0 0 "[ . 1 . 2]" 1
1090 1 27 PRO QG 1 28 ALA H . . 4.870 4.549 4.444 4.661 . 0 0 "[ . 1 . 2]" 1
1091 1 30 ILE MD 1 50 LEU MD2 . . 2.710 2.456 2.142 2.639 . 0 0 "[ . 1 . 2]" 1
1092 1 30 ILE MG 1 31 ARG HA . . 5.230 3.950 3.273 4.181 . 0 0 "[ . 1 . 2]" 1
1093 1 31 ARG HA 1 32 VAL MG2 . . 5.400 3.507 3.365 3.673 . 0 0 "[ . 1 . 2]" 1
1094 1 31 ARG HB3 1 42 PHE HB3 . . 4.820 4.210 3.660 4.774 . 0 0 "[ . 1 . 2]" 1
1095 1 31 ARG HB3 1 42 PHE HB2 . . 4.820 3.319 2.674 3.733 . 0 0 "[ . 1 . 2]" 1
1096 1 31 ARG HB3 1 97 ILE HA . . 4.710 4.211 3.711 4.600 . 0 0 "[ . 1 . 2]" 1
1097 1 32 VAL MG1 1 33 SER HA . . 5.150 4.141 3.961 4.314 . 0 0 "[ . 1 . 2]" 1
1098 1 32 VAL MG1 1 99 THR HA . . 5.360 3.564 3.004 4.130 . 0 0 "[ . 1 . 2]" 1
1099 1 42 PHE HB2 1 97 ILE MG . . 4.820 4.324 3.832 4.728 . 0 0 "[ . 1 . 2]" 1
1100 1 33 SER HA 1 42 PHE HB2 . . 4.790 3.483 3.174 3.729 . 0 0 "[ . 1 . 2]" 1
1101 1 33 SER HA 1 42 PHE HB3 . . 4.790 2.878 2.602 3.187 . 0 0 "[ . 1 . 2]" 1
1102 1 42 PHE QD 1 44 GLU HG2 . . 5.500 4.472 3.193 5.374 . 0 0 "[ . 1 . 2]" 1
1103 1 45 ILE MD 1 61 ILE H . . 4.810 3.693 3.253 3.939 . 0 0 "[ . 1 . 2]" 1
1104 1 45 ILE H 1 45 ILE MD . . 5.050 3.763 3.504 3.925 . 0 0 "[ . 1 . 2]" 1
1105 1 46 THR HA 1 47 VAL MG1 . . 4.830 3.848 3.635 4.093 . 0 0 "[ . 1 . 2]" 1
1106 1 29 THR HA 1 46 THR HA . . 3.570 2.077 1.999 2.184 . 0 0 "[ . 1 . 2]" 1
1107 1 47 VAL MG1 1 49 SER H . . 4.910 4.331 4.152 4.480 . 0 0 "[ . 1 . 2]" 1
1108 1 47 VAL MG2 1 50 LEU HG . . 4.750 3.624 3.116 4.003 . 0 0 "[ . 1 . 2]" 1
1109 1 47 VAL MG2 1 87 LEU MD1 . . 3.240 2.451 2.243 2.945 . 0 0 "[ . 1 . 2]" 1
1110 1 46 THR MG 1 48 GLN HA . . 4.820 4.097 3.886 4.314 . 0 0 "[ . 1 . 2]" 1
1111 1 49 SER HB3 1 50 LEU H . . 4.760 3.189 2.626 4.155 . 0 0 "[ . 1 . 2]" 1
1112 1 28 ALA MB 1 50 LEU HA . . 5.360 4.338 3.948 4.717 . 0 0 "[ . 1 . 2]" 1
1113 1 51 SER H 1 52 GLU HG2 . . 5.180 4.721 3.452 5.115 . 0 0 "[ . 1 . 2]" 1
1114 1 52 GLU HG3 1 53 ASN H . . 4.690 4.660 4.565 4.689 . 0 0 "[ . 1 . 2]" 1
1115 1 49 SER H 1 52 GLU HG3 . . 4.340 3.565 3.145 3.967 . 0 0 "[ . 1 . 2]" 1
1116 1 54 VAL MG2 1 81 LEU MD2 . . 4.650 2.906 2.414 3.435 . 0 0 "[ . 1 . 2]" 1
1117 1 56 SER HA 1 59 GLU HG3 . . 4.550 2.612 2.169 3.106 . 0 0 "[ . 1 . 2]" 1
1118 1 52 GLU QB 1 56 SER HB2 . . 4.470 3.523 3.113 4.262 . 0 0 "[ . 1 . 2]" 1
1119 1 58 LYS H 1 58 LYS HG2 . . 4.650 3.599 2.438 4.344 . 0 0 "[ . 1 . 2]" 1
1120 1 58 LYS H 1 58 LYS HG3 . . 4.650 2.508 1.953 3.300 . 0 0 "[ . 1 . 2]" 1
1121 1 58 LYS HE3 1 73 LYS HA . . 4.790 3.984 2.753 4.745 . 0 0 "[ . 1 . 2]" 1
1122 1 58 LYS HE2 1 73 LYS HA . . 4.790 3.104 2.360 4.119 . 0 0 "[ . 1 . 2]" 1
1123 1 59 GLU QB 1 69 ALA MB . . 5.140 4.703 4.592 4.845 . 0 0 "[ . 1 . 2]" 1
1124 1 45 ILE MG 1 60 LYS HA . . 4.630 4.477 4.253 4.629 . 0 0 "[ . 1 . 2]" 1
1125 1 61 ILE HB 1 72 GLN HE21 . . 4.580 3.900 3.498 4.563 . 0 0 "[ . 1 . 2]" 1
1126 1 60 LYS HB2 1 61 ILE MD . . 4.560 3.271 2.634 4.134 . 0 0 "[ . 1 . 2]" 1
1127 1 61 ILE HB 1 62 ALA MB . . 4.390 4.219 4.148 4.389 . 0 0 "[ . 1 . 2]" 1
1128 1 59 GLU QB 1 62 ALA MB . . 4.580 3.744 3.574 3.904 . 0 0 "[ . 1 . 2]" 1
1129 1 61 ILE MG 1 62 ALA MB . . 4.630 4.495 4.247 4.621 . 0 0 "[ . 1 . 2]" 1
1130 1 64 GLU HG2 1 65 ILE MG . . 5.390 5.100 4.867 5.326 . 0 0 "[ . 1 . 2]" 1
1131 1 64 GLU HG3 1 65 ILE MG . . 5.390 4.845 4.716 4.949 . 0 0 "[ . 1 . 2]" 1
1132 1 65 ILE MD 1 67 ILE HB . . 3.510 2.023 1.930 2.191 . 0 0 "[ . 1 . 2]" 1
1133 1 65 ILE HA 1 66 GLN QG . . 4.900 4.767 4.641 4.892 . 0 0 "[ . 1 . 2]" 1
1134 1 66 GLN QG 1 67 ILE H . . 4.870 4.631 4.517 4.752 . 0 0 "[ . 1 . 2]" 1
1135 1 67 ILE MG 1 71 LYS HB2 . . 3.320 2.006 1.892 2.245 . 0 0 "[ . 1 . 2]" 1
1136 1 67 ILE MG 1 72 GLN HE22 . . 5.390 5.242 4.721 5.387 . 0 0 "[ . 1 . 2]" 1
1137 1 67 ILE MG 1 72 GLN HE21 . . 4.560 3.912 3.388 4.078 . 0 0 "[ . 1 . 2]" 1
1138 1 67 ILE H 1 67 ILE MG . . 4.710 3.877 3.837 3.908 . 0 0 "[ . 1 . 2]" 1
1139 1 65 ILE HB 1 67 ILE MD . . 4.490 3.823 2.058 4.493 0.003 19 0 "[ . 1 . 2]" 1
1140 1 62 ALA MB 1 68 PRO HB3 . . 5.170 4.908 4.716 4.993 . 0 0 "[ . 1 . 2]" 1
1141 1 68 PRO HB3 1 71 LYS H . . 5.340 4.518 4.395 4.572 . 0 0 "[ . 1 . 2]" 1
1142 1 62 ALA MB 1 68 PRO HD3 . . 5.500 5.103 4.978 5.237 . 0 0 "[ . 1 . 2]" 1
1143 1 69 ALA HA 1 71 LYS H . . 5.500 4.579 4.355 4.718 . 0 0 "[ . 1 . 2]" 1
1144 1 62 ALA MB 1 69 ALA MB . . 4.450 3.590 3.487 3.706 . 0 0 "[ . 1 . 2]" 1
1145 1 58 LYS HB3 1 69 ALA MB . . 3.680 2.022 1.885 2.188 . 0 0 "[ . 1 . 2]" 1
1146 1 69 ALA MB 1 72 GLN HE22 . . 5.440 4.702 4.420 5.016 . 0 0 "[ . 1 . 2]" 1
1147 1 69 ALA MB 1 72 GLN HE21 . . 5.210 4.643 4.247 5.051 . 0 0 "[ . 1 . 2]" 1
1148 1 67 ILE MD 1 71 LYS HB3 . . 4.530 3.720 3.323 4.330 . 0 0 "[ . 1 . 2]" 1
1149 1 71 LYS HB2 1 72 GLN H . . 4.800 2.521 2.325 2.604 . 0 0 "[ . 1 . 2]" 1
1150 1 68 PRO HD2 1 71 LYS HG2 . . 5.500 4.204 3.671 4.710 . 0 0 "[ . 1 . 2]" 1
1151 1 73 LYS HB2 1 80 PHE QE . . 4.490 3.711 2.781 4.304 . 0 0 "[ . 1 . 2]" 1
1152 1 74 LEU H 1 74 LEU HG . . 5.290 3.548 3.151 3.766 . 0 0 "[ . 1 . 2]" 1
1153 1 74 LEU HB3 1 74 LEU MD2 . . 3.200 2.269 2.183 2.352 . 0 0 "[ . 1 . 2]" 1
1154 1 75 SER HB2 1 99 THR MG . . 5.500 4.780 3.587 5.153 . 0 0 "[ . 1 . 2]" 1
1155 1 75 SER HB3 1 99 THR MG . . 5.500 4.418 3.384 5.129 . 0 0 "[ . 1 . 2]" 1
1156 1 75 SER HB2 1 80 PHE QD . . 4.660 3.847 2.552 4.658 . 0 0 "[ . 1 . 2]" 1
1157 1 81 LEU HA 1 81 LEU MD1 . . 4.770 3.929 3.870 3.968 . 0 0 "[ . 1 . 2]" 1
1158 1 81 LEU HB2 1 90 TYR QE . . 5.220 4.860 4.241 5.217 . 0 0 "[ . 1 . 2]" 1
1159 1 80 PHE HA 1 81 LEU HG . . 4.850 3.923 3.779 4.254 . 0 0 "[ . 1 . 2]" 1
1160 1 81 LEU MD1 1 98 LEU MD2 . . 3.120 1.952 1.772 2.209 . 0 0 "[ . 1 . 2]" 1
1161 1 81 LEU MD2 1 87 LEU HA . . 5.480 4.642 4.165 5.166 . 0 0 "[ . 1 . 2]" 1
1162 1 81 LEU MD2 1 90 TYR HA . . 5.500 4.825 4.548 5.139 . 0 0 "[ . 1 . 2]" 1
1163 1 75 SER HA 1 81 LEU MD2 . . 4.990 4.304 3.867 4.724 . 0 0 "[ . 1 . 2]" 1
1164 1 82 LYS H 1 82 LYS QD . . 5.050 4.301 3.441 4.651 . 0 0 "[ . 1 . 2]" 1
1165 1 82 LYS HB2 1 82 LYS QE . . 4.670 3.999 2.419 4.408 . 0 0 "[ . 1 . 2]" 1
1166 1 82 LYS HB3 1 82 LYS QE . . 4.670 3.665 2.359 3.978 . 0 0 "[ . 1 . 2]" 1
1167 1 55 GLY HA3 1 83 ASP HB2 . . 4.850 2.582 1.997 3.782 . 0 0 "[ . 1 . 2]" 1
1168 1 86 SER HB3 1 88 ALA MB . . 4.880 3.774 3.599 4.104 . 0 0 "[ . 1 . 2]" 1
1169 1 87 LEU HA 1 90 TYR H . . 4.740 3.489 3.284 3.801 . 0 0 "[ . 1 . 2]" 1
1170 1 30 ILE MD 1 87 LEU MD1 . . 3.720 3.017 2.129 3.489 . 0 0 "[ . 1 . 2]" 1
1171 1 87 LEU HA 1 87 LEU MD1 . . 4.700 3.831 2.463 3.952 . 0 0 "[ . 1 . 2]" 1
1172 1 50 LEU MD2 1 88 ALA HA . . 4.910 4.087 3.799 4.613 . 0 0 "[ . 1 . 2]" 1
1173 1 88 ALA HA 1 92 VAL QG . . 5.490 4.700 3.017 5.134 . 0 0 "[ . 1 . 2]" 1
1174 1 86 SER HB2 1 88 ALA MB . . 4.880 3.653 3.422 3.948 . 0 0 "[ . 1 . 2]" 1
1175 1 88 ALA MB 1 89 HIS HA . . 4.860 3.710 3.631 3.830 . 0 0 "[ . 1 . 2]" 1
1176 1 86 SER H 1 89 HIS HB2 . . 3.930 3.489 2.091 3.783 . 0 0 "[ . 1 . 2]" 1
1177 1 81 LEU MD2 1 90 TYR HB3 . . 4.830 3.185 2.920 3.610 . 0 0 "[ . 1 . 2]" 1
1178 1 17 GLU HG3 1 89 HIS HA . . 4.610 4.430 4.232 4.583 . 0 0 "[ . 1 . 2]" 1
1179 1 20 PHE QE 1 93 GLY HA2 . . 4.750 3.876 3.428 4.547 . 0 0 "[ . 1 . 2]" 1
1180 1 94 ALA HA 1 96 GLU H . . 4.980 4.681 4.530 4.945 . 0 0 "[ . 1 . 2]" 1
1181 1 29 THR H 1 94 ALA HA . . 4.900 4.046 3.414 4.692 . 0 0 "[ . 1 . 2]" 1
1182 1 96 GLU H 1 96 GLU HG2 . . 4.550 4.463 3.946 4.566 0.016 12 0 "[ . 1 . 2]" 1
1183 1 31 ARG HB2 1 97 ILE HA . . 4.130 3.084 2.275 3.592 . 0 0 "[ . 1 . 2]" 1
1184 1 96 GLU HA 1 97 ILE HB . . 5.030 4.583 4.502 4.669 . 0 0 "[ . 1 . 2]" 1
1185 1 42 PHE HB3 1 97 ILE MG . . 4.820 4.204 3.667 4.590 . 0 0 "[ . 1 . 2]" 1
1186 1 99 THR HB 1 100 LEU H . . 5.010 3.941 3.858 4.093 . 0 0 "[ . 1 . 2]" 1
1187 1 73 LYS HB2 1 101 SER HB2 . . 4.640 3.487 2.830 4.561 . 0 0 "[ . 1 . 2]" 1
1188 1 73 LYS HB3 1 101 SER HB2 . . 5.500 4.246 3.624 5.491 . 0 0 "[ . 1 . 2]" 1
1189 1 73 LYS HB2 1 101 SER HB3 . . 4.640 4.055 3.318 4.642 0.002 4 0 "[ . 1 . 2]" 1
1190 1 73 LYS HB3 1 101 SER HB3 . . 5.500 5.013 4.569 5.420 . 0 0 "[ . 1 . 2]" 1
1191 1 73 LYS QG 1 103 ARG QD . . 5.500 4.032 3.260 5.235 . 0 0 "[ . 1 . 2]" 1
1192 1 103 ARG HA 1 103 ARG QD . . 4.930 3.767 3.080 4.051 . 0 0 "[ . 1 . 2]" 1
1193 1 31 ARG HB3 1 97 ILE MD . . 5.390 3.713 2.116 4.390 . 0 0 "[ . 1 . 2]" 1
1194 1 90 TYR QD 1 92 VAL QG . . 4.590 3.766 3.529 4.307 . 0 0 "[ . 1 . 2]" 1
1195 1 31 ARG HB3 1 42 PHE QD . . 5.140 3.677 3.157 4.244 . 0 0 "[ . 1 . 2]" 1
1196 1 33 SER HA 1 42 PHE QD . . 5.230 4.679 4.406 4.939 . 0 0 "[ . 1 . 2]" 1
1197 1 24 HIS HD2 1 50 LEU MD1 . . 4.840 2.183 1.927 2.693 . 0 0 "[ . 1 . 2]" 1
1198 1 23 GLN HB3 1 24 HIS HD2 . . 4.560 4.384 4.207 4.553 . 0 0 "[ . 1 . 2]" 1
1199 1 20 PHE HA 1 24 HIS HD2 . . 4.520 4.023 3.482 4.302 . 0 0 "[ . 1 . 2]" 1
1200 1 72 GLN HG3 1 100 LEU MD1 . . 4.180 4.020 3.828 4.185 0.005 12 0 "[ . 1 . 2]" 1
1201 1 54 VAL MG2 1 90 TYR QE . . 4.820 2.781 2.070 3.209 . 0 0 "[ . 1 . 2]" 1
1202 1 20 PHE QE 1 50 LEU MD1 . . 4.990 1.998 1.868 2.135 . 0 0 "[ . 1 . 2]" 1
1203 1 20 PHE QE 1 93 GLY H . . 4.880 4.129 3.632 4.779 . 0 0 "[ . 1 . 2]" 1
1204 1 20 PHE QE 1 94 ALA H . . 5.500 5.392 5.030 5.501 0.001 12 0 "[ . 1 . 2]" 1
1205 1 20 PHE HZ 1 50 LEU MD2 . . 5.500 4.370 3.789 4.874 . 0 0 "[ . 1 . 2]" 1
1206 1 20 PHE HZ 1 92 VAL QG . . 5.500 4.164 3.688 4.507 . 0 0 "[ . 1 . 2]" 1
1207 1 20 PHE HZ 1 88 ALA MB . . 5.500 5.458 5.357 5.509 0.009 16 0 "[ . 1 . 2]" 1
1208 1 20 PHE HZ 1 92 VAL HA . . 5.500 3.355 2.920 3.704 . 0 0 "[ . 1 . 2]" 1
1209 1 20 PHE HZ 1 93 GLY HA3 . . 5.500 2.933 2.591 3.443 . 0 0 "[ . 1 . 2]" 1
1210 1 73 LYS HB2 1 80 PHE QD . . 4.980 4.743 4.253 4.941 . 0 0 "[ . 1 . 2]" 1
1211 1 80 PHE HA 1 80 PHE QD . . 3.970 2.302 1.999 2.790 . 0 0 "[ . 1 . 2]" 1
1212 1 75 SER H 1 80 PHE QD . . 5.500 4.965 4.584 5.500 0.000 16 0 "[ . 1 . 2]" 1
1213 1 73 LYS HB3 1 80 PHE QE . . 4.730 2.988 2.102 3.778 . 0 0 "[ . 1 . 2]" 1
1214 1 42 PHE QD 1 44 GLU HG3 . . 5.500 3.621 2.828 4.702 . 0 0 "[ . 1 . 2]" 1
1215 1 20 PHE QE 1 24 HIS HD2 . . 5.480 3.019 2.612 3.426 . 0 0 "[ . 1 . 2]" 1
1216 1 20 PHE QD 1 24 HIS HD2 . . 5.250 2.987 2.475 3.304 . 0 0 "[ . 1 . 2]" 1
1217 1 20 PHE HZ 1 24 HIS HD2 . . 5.110 4.172 3.660 4.668 . 0 0 "[ . 1 . 2]" 1
1218 1 23 GLN HB3 1 24 HIS HE1 . . 5.040 3.200 3.024 3.420 . 0 0 "[ . 1 . 2]" 1
1219 1 23 GLN HB2 1 24 HIS HE1 . . 5.040 4.219 3.948 4.497 . 0 0 "[ . 1 . 2]" 1
1220 1 20 PHE HA 1 24 HIS HE1 . . 5.480 5.177 4.985 5.353 . 0 0 "[ . 1 . 2]" 1
1221 1 20 PHE QD 1 24 HIS HE1 . . 5.310 5.053 4.697 5.297 . 0 0 "[ . 1 . 2]" 1
1222 1 20 PHE HZ 1 24 HIS HE1 . . 5.350 5.035 4.436 5.339 . 0 0 "[ . 1 . 2]" 1
1223 1 85 MET ME 1 89 HIS HB2 . . 4.870 3.877 2.794 4.681 . 0 0 "[ . 1 . 2]" 1
1224 1 17 GLU HG3 1 89 HIS H . . 4.070 3.872 3.495 4.064 . 0 0 "[ . 1 . 2]" 1
1225 1 47 VAL HA 1 60 LYS HE2 . . 4.150 3.552 2.308 4.152 0.002 15 0 "[ . 1 . 2]" 1
1226 1 47 VAL HA 1 60 LYS HE3 . . 4.150 3.558 2.654 4.132 . 0 0 "[ . 1 . 2]" 1
1227 1 64 GLU HB3 1 65 ILE MG . . 4.370 3.539 3.308 3.745 . 0 0 "[ . 1 . 2]" 1
1228 1 45 ILE MD 1 64 GLU HB2 . . 5.280 4.790 4.485 5.076 . 0 0 "[ . 1 . 2]" 1
1229 1 64 GLU HB2 1 65 ILE MD . . 5.500 4.848 4.608 5.051 . 0 0 "[ . 1 . 2]" 1
1230 1 61 ILE HA 1 64 GLU HB3 . . 4.960 4.682 4.443 4.865 . 0 0 "[ . 1 . 2]" 1
1231 1 16 PRO HA 1 17 GLU QB . . 4.680 4.134 4.085 4.187 . 0 0 "[ . 1 . 2]" 1
1232 1 17 GLU QB 1 18 ASP HA . . 5.230 4.466 4.362 4.568 . 0 0 "[ . 1 . 2]" 1
1233 1 30 ILE MD 1 30 ILE MG . . 3.010 2.064 1.904 3.052 0.042 18 0 "[ . 1 . 2]" 1
1234 1 17 GLU HA 1 17 GLU HG3 . . 3.160 2.708 2.607 2.775 . 0 0 "[ . 1 . 2]" 1
1235 1 75 SER HB3 1 80 PHE QD . . 4.660 3.691 2.678 4.654 . 0 0 "[ . 1 . 2]" 1
1236 1 11 GLU HA 1 14 LEU HG . . 3.340 2.814 2.156 3.331 . 0 0 "[ . 1 . 2]" 1
1237 1 14 LEU HA 1 91 ASN HD21 . . 5.500 5.341 5.040 5.485 . 0 0 "[ . 1 . 2]" 1
1238 1 16 PRO HB3 1 18 ASP H . . 4.100 3.950 3.848 4.074 . 0 0 "[ . 1 . 2]" 1
1239 1 16 PRO HD3 1 19 GLN QB . . 4.420 3.960 3.689 4.266 . 0 0 "[ . 1 . 2]" 1
1240 1 20 PHE QD 1 91 ASN HA . . 4.180 3.087 2.652 3.462 . 0 0 "[ . 1 . 2]" 1
1241 1 18 ASP HA 1 21 LEU HB2 . . 4.270 3.544 3.104 4.086 . 0 0 "[ . 1 . 2]" 1
1242 1 20 PHE HA 1 23 GLN HB3 . . 3.900 3.709 3.480 3.900 0.000 1 0 "[ . 1 . 2]" 1
1243 1 26 GLY HA2 1 27 PRO QD . . 3.140 2.403 2.271 2.534 . 0 0 "[ . 1 . 2]" 1
1244 1 26 GLY HA3 1 27 PRO QD . . 3.140 2.157 2.035 2.297 . 0 0 "[ . 1 . 2]" 1
1245 1 28 ALA MB 1 94 ALA MB . . 3.680 2.988 2.459 3.375 . 0 0 "[ . 1 . 2]" 1
1246 1 29 THR HA 1 29 THR MG . . 3.320 2.326 2.184 2.418 . 0 0 "[ . 1 . 2]" 1
1247 1 37 GLU HA 1 37 GLU QG . . 3.700 2.512 2.017 3.439 . 0 0 "[ . 1 . 2]" 1
1248 1 50 LEU HA 1 87 LEU HG . . 4.390 4.241 3.143 4.393 0.003 20 0 "[ . 1 . 2]" 1
1249 1 32 VAL HB 1 43 MET HG3 . . 3.900 2.569 2.223 2.821 . 0 0 "[ . 1 . 2]" 1
1250 1 30 ILE HB 1 45 ILE HB . . 3.810 3.078 2.683 3.323 . 0 0 "[ . 1 . 2]" 1
1251 1 45 ILE MG 1 60 LYS HB2 . . 3.800 2.570 2.367 2.848 . 0 0 "[ . 1 . 2]" 1
1252 1 66 GLN HA 1 66 GLN QG . . 3.180 2.259 2.045 2.492 . 0 0 "[ . 1 . 2]" 1
1253 1 61 ILE MG 1 65 ILE H . . 5.030 2.991 2.825 3.190 . 0 0 "[ . 1 . 2]" 1
1254 1 61 ILE MG 1 64 GLU H . . 5.150 3.722 3.592 3.846 . 0 0 "[ . 1 . 2]" 1
1255 1 62 ALA MB 1 67 ILE H . . 4.250 3.364 3.207 3.520 . 0 0 "[ . 1 . 2]" 1
1256 1 62 ALA HA 1 65 ILE HG13 . . 4.930 3.090 2.706 3.450 . 0 0 "[ . 1 . 2]" 1
1257 1 65 ILE HA 1 65 ILE HG13 . . 4.030 3.722 3.677 3.768 . 0 0 "[ . 1 . 2]" 1
1258 1 65 ILE HG12 1 65 ILE MG . . 3.340 2.460 2.330 2.577 . 0 0 "[ . 1 . 2]" 1
1259 1 67 ILE HB 1 72 GLN HE21 . . 4.420 3.337 2.968 3.744 . 0 0 "[ . 1 . 2]" 1
1260 1 68 PRO HB2 1 70 ASN H . . 4.950 2.488 2.363 2.575 . 0 0 "[ . 1 . 2]" 1
1261 1 68 PRO QG 1 71 LYS H . . 4.870 2.258 2.154 2.369 . 0 0 "[ . 1 . 2]" 1
1262 1 68 PRO QG 1 69 ALA H . . 5.010 4.590 4.519 4.640 . 0 0 "[ . 1 . 2]" 1
1263 1 68 PRO QG 1 71 LYS HG2 . . 4.070 3.751 2.699 4.005 . 0 0 "[ . 1 . 2]" 1
1264 1 68 PRO HD2 1 71 LYS HB2 . . 4.400 2.411 2.301 2.605 . 0 0 "[ . 1 . 2]" 1
1265 1 58 LYS HA 1 69 ALA MB . . 4.410 4.179 4.093 4.342 . 0 0 "[ . 1 . 2]" 1
1266 1 68 PRO HA 1 69 ALA MB . . 4.190 3.994 3.958 4.047 . 0 0 "[ . 1 . 2]" 1
1267 1 67 ILE MG 1 71 LYS HD3 . . 4.820 3.270 2.760 4.277 . 0 0 "[ . 1 . 2]" 1
1268 1 71 LYS HB3 1 71 LYS HD3 . . 3.860 3.094 2.003 3.433 . 0 0 "[ . 1 . 2]" 1
1269 1 72 GLN HA 1 72 GLN HG3 . . 4.240 3.589 3.559 3.635 . 0 0 "[ . 1 . 2]" 1
1270 1 73 LYS HB3 1 73 LYS HE2 . . 4.500 3.687 2.719 4.465 . 0 0 "[ . 1 . 2]" 1
1271 1 73 LYS HB2 1 73 LYS HE2 . . 5.260 4.203 3.332 5.225 . 0 0 "[ . 1 . 2]" 1
1272 1 73 LYS HB3 1 73 LYS HE3 . . 4.500 3.800 2.662 4.286 . 0 0 "[ . 1 . 2]" 1
1273 1 73 LYS HB2 1 73 LYS HE3 . . 5.260 4.392 3.559 5.008 . 0 0 "[ . 1 . 2]" 1
1274 1 74 LEU HG 1 100 LEU MD1 . . 3.670 2.871 2.376 3.342 . 0 0 "[ . 1 . 2]" 1
1275 1 74 LEU MD2 1 98 LEU HB2 . . 3.890 2.903 2.702 3.216 . 0 0 "[ . 1 . 2]" 1
1276 1 85 MET HG3 1 90 TYR QE . . 4.680 3.395 2.650 4.025 . 0 0 "[ . 1 . 2]" 1
1277 1 85 MET HA 1 85 MET HG3 . . 4.250 3.568 3.351 3.674 . 0 0 "[ . 1 . 2]" 1
1278 1 85 MET HA 1 85 MET HG2 . . 4.250 2.374 2.116 2.802 . 0 0 "[ . 1 . 2]" 1
1279 1 87 LEU HB3 1 88 ALA H . . 4.840 3.665 3.122 3.893 . 0 0 "[ . 1 . 2]" 1
1280 1 88 ALA HA 1 92 VAL H . . 4.040 3.219 2.948 3.581 . 0 0 "[ . 1 . 2]" 1
1281 1 85 MET HB2 1 90 TYR QD . . 5.500 4.256 2.699 4.731 . 0 0 "[ . 1 . 2]" 1
1282 1 81 LEU HB3 1 90 TYR QE . . 4.500 3.261 2.556 3.647 . 0 0 "[ . 1 . 2]" 1
1283 1 14 LEU MD2 1 91 ASN HB2 . . 4.400 3.707 3.372 4.026 . 0 0 "[ . 1 . 2]" 1
1284 1 98 LEU HB2 1 99 THR H . . 4.070 3.649 3.477 3.847 . 0 0 "[ . 1 . 2]" 1
1285 1 98 LEU H 1 98 LEU MD2 . . 4.080 3.461 3.181 3.655 . 0 0 "[ . 1 . 2]" 1
1286 1 92 VAL HA 1 96 GLU H . . 3.870 3.692 3.329 3.871 0.001 3 0 "[ . 1 . 2]" 1
1287 1 92 VAL HA 1 96 GLU HB3 . . 4.200 2.273 1.997 3.322 . 0 0 "[ . 1 . 2]" 1
1288 1 20 PHE HZ 1 93 GLY HA2 . . 5.500 4.065 3.625 4.612 . 0 0 "[ . 1 . 2]" 1
1289 1 30 ILE MD 1 94 ALA HA . . 4.980 3.953 3.316 4.947 . 0 0 "[ . 1 . 2]" 1
1290 1 93 GLY HA3 1 94 ALA MB . . 4.820 4.021 3.914 4.147 . 0 0 "[ . 1 . 2]" 1
1291 1 93 GLY HA2 1 94 ALA MB . . 4.820 4.287 3.849 4.595 . 0 0 "[ . 1 . 2]" 1
1292 1 28 ALA HA 1 94 ALA MB . . 4.300 3.584 2.666 4.144 . 0 0 "[ . 1 . 2]" 1
1293 1 51 SER HA 1 88 ALA H . . 4.580 3.652 3.259 3.941 . 0 0 "[ . 1 . 2]" 1
1294 1 20 PHE HZ 1 91 ASN HB3 . . 5.150 4.223 3.707 4.581 . 0 0 "[ . 1 . 2]" 1
1295 1 60 LYS HE3 1 60 LYS HG2 . . 4.070 2.642 2.026 3.622 . 0 0 "[ . 1 . 2]" 1
1296 1 45 ILE MG 1 60 LYS HD2 . . 4.010 3.450 2.084 3.999 . 0 0 "[ . 1 . 2]" 1
1297 1 82 LYS HA 1 82 LYS QD . . 4.810 3.077 2.293 4.204 . 0 0 "[ . 1 . 2]" 1
1298 1 68 PRO HD2 1 71 LYS HG3 . . 5.500 4.081 2.575 4.975 . 0 0 "[ . 1 . 2]" 1
1299 1 71 LYS HB3 1 71 LYS QE . . 4.440 3.801 2.817 4.264 . 0 0 "[ . 1 . 2]" 1
1300 1 80 PHE HB3 1 81 LEU H . . 4.760 3.761 3.505 4.021 . 0 0 "[ . 1 . 2]" 1
1301 1 75 SER HA 1 80 PHE QD . . 5.500 3.472 3.105 3.806 . 0 0 "[ . 1 . 2]" 1
1302 1 97 ILE HB 1 98 LEU H . . 5.500 4.118 3.950 4.346 . 0 0 "[ . 1 . 2]" 1
1303 1 32 VAL MG1 1 98 LEU HB2 . . 4.730 3.086 2.747 3.394 . 0 0 "[ . 1 . 2]" 1
1304 1 98 LEU H 1 98 LEU MD1 . . 5.140 3.800 3.623 3.969 . 0 0 "[ . 1 . 2]" 1
1305 1 10 ASP QB 1 11 GLU H . . 4.340 3.154 2.671 3.907 . 0 0 "[ . 1 . 2]" 1
1306 1 10 ASP QB 1 12 SER H . . 4.950 3.255 2.250 4.788 . 0 0 "[ . 1 . 2]" 1
1307 1 10 ASP QB 1 13 ALA MB . . 4.470 3.086 1.879 4.407 . 0 0 "[ . 1 . 2]" 1
1308 1 11 GLU H 1 11 GLU QB . . 3.690 2.215 2.057 3.087 . 0 0 "[ . 1 . 2]" 1
1309 1 11 GLU HA 1 11 GLU QG . . 3.330 2.150 2.003 2.286 . 0 0 "[ . 1 . 2]" 1
1310 1 11 GLU QB 1 14 LEU MD1 . . 5.110 3.946 2.984 4.646 . 0 0 "[ . 1 . 2]" 1
1311 1 11 GLU QG 1 14 LEU MD1 . . 4.160 3.082 2.025 3.952 . 0 0 "[ . 1 . 2]" 1
1312 1 11 GLU QG 1 14 LEU MD2 . . 4.490 3.622 2.815 4.434 . 0 0 "[ . 1 . 2]" 1
1313 1 14 LEU MD2 1 91 ASN QB . . 3.660 3.424 3.051 3.665 0.005 4 0 "[ . 1 . 2]" 1
1314 1 15 VAL H 1 91 ASN QB . . 5.340 4.209 3.791 4.614 . 0 0 "[ . 1 . 2]" 1
1315 1 15 VAL MG1 1 16 PRO QG . . 4.790 2.909 2.843 3.025 . 0 0 "[ . 1 . 2]" 1
1316 1 15 VAL MG1 1 19 GLN QG . . 4.280 3.661 3.290 3.867 . 0 0 "[ . 1 . 2]" 1
1317 1 15 VAL MG1 1 19 GLN QE . . 5.340 3.750 2.356 4.596 . 0 0 "[ . 1 . 2]" 1
1318 1 15 VAL MG1 1 23 GLN QG . . 4.520 3.161 2.810 3.445 . 0 0 "[ . 1 . 2]" 1
1319 1 15 VAL MG1 1 23 GLN QE . . 4.850 2.811 1.899 4.773 . 0 0 "[ . 1 . 2]" 1
1320 1 15 VAL MG2 1 23 GLN QE . . 5.340 2.980 1.975 4.422 . 0 0 "[ . 1 . 2]" 1
1321 1 16 PRO QG 1 19 GLN QE . . 3.900 2.759 1.817 3.235 . 0 0 "[ . 1 . 2]" 1
1322 1 17 GLU QB 1 89 HIS QB . . 4.320 2.427 2.018 3.077 . 0 0 "[ . 1 . 2]" 1
1323 1 18 ASP HA 1 21 LEU QB . . 3.600 3.334 3.028 3.568 . 0 0 "[ . 1 . 2]" 1
1324 1 18 ASP QB 1 19 GLN H . . 3.650 2.629 2.435 2.764 . 0 0 "[ . 1 . 2]" 1
1325 1 19 GLN H 1 19 GLN QG . . 3.300 2.714 2.495 2.937 . 0 0 "[ . 1 . 2]" 1
1326 1 19 GLN QG 1 20 PHE H . . 5.340 4.080 3.946 4.219 . 0 0 "[ . 1 . 2]" 1
1327 1 20 PHE H 1 23 GLN QG . . 5.340 3.914 3.543 4.256 . 0 0 "[ . 1 . 2]" 1
1328 1 20 PHE HA 1 23 GLN QB . . 3.300 2.314 2.077 2.498 . 0 0 "[ . 1 . 2]" 1
1329 1 20 PHE HA 1 23 GLN QG . . 4.820 2.675 2.306 3.010 . 0 0 "[ . 1 . 2]" 1
1330 1 20 PHE HA 1 23 GLN QE . . 5.140 3.636 2.084 4.996 . 0 0 "[ . 1 . 2]" 1
1331 1 20 PHE QE 1 93 GLY QA . . 4.160 3.031 2.383 3.610 . 0 0 "[ . 1 . 2]" 1
1332 1 20 PHE HZ 1 91 ASN QB . . 4.280 4.008 3.557 4.282 0.002 11 0 "[ . 1 . 2]" 1
1333 1 20 PHE HZ 1 93 GLY QA . . 4.620 2.867 2.551 3.343 . 0 0 "[ . 1 . 2]" 1
1334 1 21 LEU H 1 21 LEU QB . . 3.000 2.091 2.023 2.203 . 0 0 "[ . 1 . 2]" 1
1335 1 21 LEU QB 1 21 LEU QD . . 2.680 1.883 1.721 2.046 . 0 0 "[ . 1 . 2]" 1
1336 1 21 LEU QB 1 22 ALA H . . 3.140 2.083 1.893 2.349 . 0 0 "[ . 1 . 2]" 1
1337 1 21 LEU QB 1 22 ALA MB . . 4.560 3.478 3.431 3.523 . 0 0 "[ . 1 . 2]" 1
1338 1 21 LEU QD 1 51 SER QB . . 3.360 1.940 1.749 2.212 . 0 0 "[ . 1 . 2]" 1
1339 1 22 ALA H 1 23 GLN QG . . 5.340 4.703 4.447 5.015 . 0 0 "[ . 1 . 2]" 1
1340 1 22 ALA MB 1 23 GLN QG . . 4.150 3.845 3.618 4.109 . 0 0 "[ . 1 . 2]" 1
1341 1 23 GLN H 1 23 GLN QB . . 3.110 2.389 2.237 2.509 . 0 0 "[ . 1 . 2]" 1
1342 1 23 GLN H 1 23 GLN QG . . 3.470 2.578 2.378 2.848 . 0 0 "[ . 1 . 2]" 1
1343 1 23 GLN HA 1 23 GLN QG . . 3.250 2.172 2.062 2.310 . 0 0 "[ . 1 . 2]" 1
1344 1 23 GLN QB 1 24 HIS HD2 . . 3.920 3.482 3.361 3.618 . 0 0 "[ . 1 . 2]" 1
1345 1 23 GLN QB 1 24 HIS HE1 . . 4.320 3.107 2.936 3.280 . 0 0 "[ . 1 . 2]" 1
1346 1 23 GLN QG 1 24 HIS H . . 5.340 4.331 4.212 4.448 . 0 0 "[ . 1 . 2]" 1
1347 1 25 PRO QG 1 26 GLY H . . 4.190 3.348 1.969 4.094 . 0 0 "[ . 1 . 2]" 1
1348 1 26 GLY QA 1 27 PRO QD . . 2.680 2.002 1.956 2.034 . 0 0 "[ . 1 . 2]" 1
1349 1 27 PRO QB 1 28 ALA H . . 3.550 3.101 2.928 3.315 . 0 0 "[ . 1 . 2]" 1
1350 1 27 PRO QB 1 47 VAL H . . 5.060 3.882 3.653 4.215 . 0 0 "[ . 1 . 2]" 1
1351 1 27 PRO QB 1 48 GLN HA . . 3.430 2.070 1.997 2.143 . 0 0 "[ . 1 . 2]" 1
1352 1 28 ALA MB 1 93 GLY QA . . 4.130 2.707 2.385 2.998 . 0 0 "[ . 1 . 2]" 1
1353 1 29 THR MG 1 44 GLU QB . . 3.430 2.701 1.874 3.396 . 0 0 "[ . 1 . 2]" 1
1354 1 29 THR MG 1 44 GLU QG . . 3.390 2.825 2.085 3.314 . 0 0 "[ . 1 . 2]" 1
1355 1 30 ILE H 1 30 ILE QG . . 3.690 2.501 2.211 3.366 . 0 0 "[ . 1 . 2]" 1
1356 1 30 ILE QG 1 30 ILE MG . . 3.140 2.255 2.080 2.359 . 0 0 "[ . 1 . 2]" 1
1357 1 30 ILE QG 1 47 VAL MG1 . . 3.980 3.135 2.617 3.962 . 0 0 "[ . 1 . 2]" 1
1358 1 30 ILE QG 1 47 VAL MG2 . . 4.390 2.640 2.054 3.569 . 0 0 "[ . 1 . 2]" 1
1359 1 30 ILE QG 1 87 LEU MD1 . . 4.230 2.731 2.478 3.051 . 0 0 "[ . 1 . 2]" 1
1360 1 30 ILE MD 1 93 GLY QA . . 5.080 2.345 1.873 3.858 . 0 0 "[ . 1 . 2]" 1
1361 1 31 ARG H 1 31 ARG QG . . 3.640 2.998 2.421 3.457 . 0 0 "[ . 1 . 2]" 1
1362 1 31 ARG HB2 1 31 ARG QD . . 3.640 2.197 1.979 2.823 . 0 0 "[ . 1 . 2]" 1
1363 1 31 ARG HB2 1 97 ILE QG . . 3.860 2.265 1.981 3.863 0.003 20 0 "[ . 1 . 2]" 1
1364 1 31 ARG HB3 1 42 PHE QB . . 4.180 3.200 2.612 3.607 . 0 0 "[ . 1 . 2]" 1
1365 1 31 ARG HB3 1 97 ILE QG . . 4.590 3.015 2.488 4.156 . 0 0 "[ . 1 . 2]" 1
1366 1 31 ARG QG 1 32 VAL H . . 4.500 3.920 3.532 4.214 . 0 0 "[ . 1 . 2]" 1
1367 1 31 ARG QG 1 42 PHE QD . . 5.310 3.333 2.470 4.451 . 0 0 "[ . 1 . 2]" 1
1368 1 31 ARG QG 1 44 GLU HA . . 5.180 3.659 2.993 4.261 . 0 0 "[ . 1 . 2]" 1
1369 1 31 ARG QG 1 44 GLU QG . . 4.270 3.341 2.458 4.215 . 0 0 "[ . 1 . 2]" 1
1370 1 31 ARG QD 1 97 ILE MD . . 4.540 3.291 1.889 4.500 . 0 0 "[ . 1 . 2]" 1
1371 1 32 VAL H 1 42 PHE QB . . 3.990 2.964 2.645 3.217 . 0 0 "[ . 1 . 2]" 1
1372 1 32 VAL H 1 43 MET QB . . 5.120 4.433 4.233 4.572 . 0 0 "[ . 1 . 2]" 1
1373 1 32 VAL HB 1 43 MET QB . . 4.440 4.021 3.938 4.165 . 0 0 "[ . 1 . 2]" 1
1374 1 32 VAL MG1 1 100 LEU QB . . 3.170 2.306 2.070 2.661 . 0 0 "[ . 1 . 2]" 1
1375 1 32 VAL MG2 1 43 MET QB . . 4.700 4.623 4.429 4.701 0.001 16 0 "[ . 1 . 2]" 1
1376 1 33 SER H 1 33 SER QB . . 3.470 2.288 2.205 2.506 . 0 0 "[ . 1 . 2]" 1
1377 1 33 SER H 1 100 LEU QB . . 5.340 4.080 3.712 4.401 . 0 0 "[ . 1 . 2]" 1
1378 1 33 SER HA 1 34 LYS QG . . 4.350 3.934 3.517 4.325 . 0 0 "[ . 1 . 2]" 1
1379 1 33 SER HA 1 42 PHE QB . . 4.150 2.746 2.498 3.007 . 0 0 "[ . 1 . 2]" 1
1380 1 33 SER QB 1 34 LYS H . . 3.830 3.163 2.476 3.558 . 0 0 "[ . 1 . 2]" 1
1381 1 33 SER QB 1 97 ILE MG . . 3.760 3.463 3.051 3.757 . 0 0 "[ . 1 . 2]" 1
1382 1 33 SER QB 1 99 THR HA . . 4.060 2.585 2.030 3.369 . 0 0 "[ . 1 . 2]" 1
1383 1 33 SER QB 1 99 THR MG . . 4.880 2.930 2.248 3.750 . 0 0 "[ . 1 . 2]" 1
1384 1 33 SER QB 1 100 LEU H . . 4.560 3.034 2.232 4.036 . 0 0 "[ . 1 . 2]" 1
1385 1 34 LYS H 1 34 LYS QB . . 3.100 2.338 2.176 2.653 . 0 0 "[ . 1 . 2]" 1
1386 1 34 LYS H 1 34 LYS QG . . 3.320 2.564 1.878 2.939 . 0 0 "[ . 1 . 2]" 1
1387 1 34 LYS HA 1 34 LYS QG . . 3.730 2.493 2.147 3.363 . 0 0 "[ . 1 . 2]" 1
1388 1 34 LYS QB 1 35 PRO QD . . 3.550 2.103 1.974 2.483 . 0 0 "[ . 1 . 2]" 1
1389 1 34 LYS QE 1 34 LYS QG . . 3.180 2.141 1.955 2.336 . 0 0 "[ . 1 . 2]" 1
1390 1 34 LYS QG 1 35 PRO QD . . 4.180 3.371 2.760 4.077 . 0 0 "[ . 1 . 2]" 1
1391 1 34 LYS QG 1 43 MET ME . . 3.680 2.820 2.092 3.675 . 0 0 "[ . 1 . 2]" 1
1392 1 34 LYS QD 1 35 PRO QD . . 4.560 2.656 1.914 3.981 . 0 0 "[ . 1 . 2]" 1
1393 1 35 PRO HB2 1 102 LEU QD . . 3.960 2.653 1.981 3.483 . 0 0 "[ . 1 . 2]" 1
1394 1 35 PRO HB3 1 102 LEU QD . . 3.820 2.907 1.981 3.727 . 0 0 "[ . 1 . 2]" 1
1395 1 35 PRO QG 1 102 LEU HB2 . . 4.980 4.690 4.256 4.977 . 0 0 "[ . 1 . 2]" 1
1396 1 35 PRO QG 1 102 LEU QD . . 4.210 3.271 2.581 4.103 . 0 0 "[ . 1 . 2]" 1
1397 1 35 PRO QD 1 100 LEU QB . . 4.850 3.617 3.237 3.861 . 0 0 "[ . 1 . 2]" 1
1398 1 41 GLN H 1 41 GLN QB . . 3.250 2.579 2.045 3.254 0.004 5 0 "[ . 1 . 2]" 1
1399 1 41 GLN H 1 41 GLN QG . . 3.510 2.692 2.115 3.394 . 0 0 "[ . 1 . 2]" 1
1400 1 41 GLN QB 1 42 PHE H . . 3.490 2.732 2.064 3.275 . 0 0 "[ . 1 . 2]" 1
1401 1 41 GLN QB 1 42 PHE QD . . 5.340 4.685 3.820 5.273 . 0 0 "[ . 1 . 2]" 1
1402 1 41 GLN QG 1 42 PHE H . . 5.280 3.728 2.789 4.385 . 0 0 "[ . 1 . 2]" 1
1403 1 42 PHE H 1 42 PHE QB . . 3.340 3.004 2.744 3.196 . 0 0 "[ . 1 . 2]" 1
1404 1 42 PHE QB 1 97 ILE MD . . 5.100 4.691 4.397 4.982 . 0 0 "[ . 1 . 2]" 1
1405 1 42 PHE QD 1 44 GLU QG . . 4.630 3.361 2.784 4.004 . 0 0 "[ . 1 . 2]" 1
1406 1 42 PHE QE 1 44 GLU QG . . 4.540 3.436 2.760 4.199 . 0 0 "[ . 1 . 2]" 1
1407 1 43 MET H 1 43 MET QB . . 3.690 2.752 2.670 2.945 . 0 0 "[ . 1 . 2]" 1
1408 1 43 MET HA 1 43 MET QG . . 3.740 3.341 3.334 3.407 . 0 0 "[ . 1 . 2]" 1
1409 1 43 MET QB 1 44 GLU H . . 3.250 2.389 2.213 3.019 . 0 0 "[ . 1 . 2]" 1
1410 1 43 MET QB 1 45 ILE QG . . 4.820 3.215 2.926 3.485 . 0 0 "[ . 1 . 2]" 1
1411 1 43 MET QB 1 45 ILE MD . . 4.330 3.401 3.085 3.672 . 0 0 "[ . 1 . 2]" 1
1412 1 44 GLU H 1 44 GLU QB . . 3.310 2.459 2.214 2.639 . 0 0 "[ . 1 . 2]" 1
1413 1 44 GLU H 1 44 GLU QG . . 3.600 3.308 2.808 3.573 . 0 0 "[ . 1 . 2]" 1
1414 1 44 GLU HA 1 44 GLU QG . . 3.660 2.289 2.082 2.571 . 0 0 "[ . 1 . 2]" 1
1415 1 44 GLU QB 1 46 THR H . . 5.070 4.529 4.421 4.662 . 0 0 "[ . 1 . 2]" 1
1416 1 45 ILE MG 1 60 LYS QG . . 3.740 2.688 2.065 3.495 . 0 0 "[ . 1 . 2]" 1
1417 1 45 ILE MG 1 60 LYS QD . . 3.420 2.234 1.829 2.770 . 0 0 "[ . 1 . 2]" 1
1418 1 45 ILE MG 1 60 LYS QE . . 4.760 2.984 2.248 3.468 . 0 0 "[ . 1 . 2]" 1
1419 1 45 ILE QG 1 61 ILE QG . . 4.540 2.147 1.995 2.432 . 0 0 "[ . 1 . 2]" 1
1420 1 45 ILE MD 1 60 LYS QD . . 4.490 3.842 3.045 4.354 . 0 0 "[ . 1 . 2]" 1
1421 1 45 ILE MD 1 61 ILE QG . . 3.300 2.573 2.024 2.998 . 0 0 "[ . 1 . 2]" 1
1422 1 45 ILE MD 1 64 GLU QG . . 3.560 3.457 3.198 3.563 0.003 20 0 "[ . 1 . 2]" 1
1423 1 47 VAL MG1 1 60 LYS QD . . 4.060 2.858 2.140 3.333 . 0 0 "[ . 1 . 2]" 1
1424 1 47 VAL MG1 1 60 LYS QE . . 3.900 2.107 1.818 3.536 . 0 0 "[ . 1 . 2]" 1
1425 1 48 GLN QB 1 49 SER QB . . 4.670 3.562 3.189 4.298 . 0 0 "[ . 1 . 2]" 1
1426 1 49 SER H 1 49 SER QB . . 3.610 2.749 2.580 2.817 . 0 0 "[ . 1 . 2]" 1
1427 1 49 SER QB 1 50 LEU H . . 3.980 3.018 2.583 3.692 . 0 0 "[ . 1 . 2]" 1
1428 1 49 SER QB 1 51 SER H . . 3.930 3.075 2.570 3.772 . 0 0 "[ . 1 . 2]" 1
1429 1 49 SER QB 1 52 GLU H . . 3.950 3.356 3.204 3.858 . 0 0 "[ . 1 . 2]" 1
1430 1 49 SER QB 1 52 GLU HG2 . . 4.030 2.945 2.698 3.514 . 0 0 "[ . 1 . 2]" 1
1431 1 49 SER QB 1 52 GLU HG3 . . 4.390 4.245 4.063 4.353 . 0 0 "[ . 1 . 2]" 1
1432 1 50 LEU MD1 1 93 GLY QA . . 3.970 2.689 1.979 3.401 . 0 0 "[ . 1 . 2]" 1
1433 1 50 LEU MD2 1 93 GLY QA . . 3.500 2.211 1.881 3.049 . 0 0 "[ . 1 . 2]" 1
1434 1 51 SER H 1 51 SER QB . . 3.380 2.241 2.092 2.434 . 0 0 "[ . 1 . 2]" 1
1435 1 51 SER HA 1 86 SER QB . . 3.530 2.879 2.706 3.110 . 0 0 "[ . 1 . 2]" 1
1436 1 51 SER QB 1 52 GLU H . . 3.520 2.945 2.769 3.522 0.002 18 0 "[ . 1 . 2]" 1
1437 1 51 SER QB 1 52 GLU HG2 . . 5.300 4.363 3.976 5.214 . 0 0 "[ . 1 . 2]" 1
1438 1 52 GLU QB 1 56 SER QB . . 3.790 2.887 2.717 3.209 . 0 0 "[ . 1 . 2]" 1
1439 1 53 ASN H 1 53 ASN QB . . 3.560 2.731 2.542 2.940 . 0 0 "[ . 1 . 2]" 1
1440 1 53 ASN H 1 56 SER QB . . 3.030 2.936 2.789 3.030 . 0 0 "[ . 1 . 2]" 1
1441 1 53 ASN HA 1 54 VAL QG . . 4.960 3.765 3.592 3.972 . 0 0 "[ . 1 . 2]" 1
1442 1 53 ASN HA 1 86 SER QB . . 4.340 3.797 3.524 4.023 . 0 0 "[ . 1 . 2]" 1
1443 1 53 ASN QB 1 54 VAL H . . 3.440 2.996 2.836 3.155 . 0 0 "[ . 1 . 2]" 1
1444 1 53 ASN QB 1 55 GLY H . . 4.150 2.655 2.384 2.882 . 0 0 "[ . 1 . 2]" 1
1445 1 53 ASN QB 1 56 SER H . . 5.130 3.002 2.563 3.647 . 0 0 "[ . 1 . 2]" 1
1446 1 53 ASN QB 1 85 MET H . . 4.840 4.657 4.296 4.838 . 0 0 "[ . 1 . 2]" 1
1447 1 54 VAL H 1 54 VAL QG . . 3.320 2.178 1.910 2.424 . 0 0 "[ . 1 . 2]" 1
1448 1 54 VAL HA 1 57 LEU QB . . 3.480 2.797 2.426 3.181 . 0 0 "[ . 1 . 2]" 1
1449 1 54 VAL QG 1 55 GLY H . . 4.080 3.290 3.002 3.508 . 0 0 "[ . 1 . 2]" 1
1450 1 54 VAL QG 1 58 LYS QD . . 4.040 3.062 2.193 4.006 . 0 0 "[ . 1 . 2]" 1
1451 1 54 VAL QG 1 58 LYS QE . . 3.410 2.752 1.970 3.292 . 0 0 "[ . 1 . 2]" 1
1452 1 54 VAL QG 1 81 LEU H . . 5.440 4.298 4.185 4.460 . 0 0 "[ . 1 . 2]" 1
1453 1 54 VAL QG 1 81 LEU HB2 . . 3.560 2.249 2.081 2.478 . 0 0 "[ . 1 . 2]" 1
1454 1 54 VAL QG 1 81 LEU HB3 . . 3.320 1.933 1.767 2.192 . 0 0 "[ . 1 . 2]" 1
1455 1 54 VAL QG 1 81 LEU MD2 . . 3.900 2.793 2.346 3.284 . 0 0 "[ . 1 . 2]" 1
1456 1 54 VAL QG 1 82 LYS H . . 5.180 3.317 2.956 3.666 . 0 0 "[ . 1 . 2]" 1
1457 1 54 VAL QG 1 83 ASP H . . 5.440 3.959 3.637 4.108 . 0 0 "[ . 1 . 2]" 1
1458 1 54 VAL QG 1 83 ASP HA . . 3.420 2.934 2.288 3.332 . 0 0 "[ . 1 . 2]" 1
1459 1 54 VAL QG 1 85 MET H . . 5.440 3.803 3.462 3.992 . 0 0 "[ . 1 . 2]" 1
1460 1 54 VAL QG 1 85 MET HB2 . . 4.470 3.399 2.923 3.740 . 0 0 "[ . 1 . 2]" 1
1461 1 54 VAL QG 1 87 LEU H . . 5.080 3.967 3.675 4.226 . 0 0 "[ . 1 . 2]" 1
1462 1 54 VAL QG 1 87 LEU HA . . 4.160 3.236 3.013 3.450 . 0 0 "[ . 1 . 2]" 1
1463 1 54 VAL QG 1 87 LEU HG . . 5.220 3.487 3.153 4.946 . 0 0 "[ . 1 . 2]" 1
1464 1 54 VAL QG 1 87 LEU MD1 . . 3.920 3.890 3.498 3.922 0.002 5 0 "[ . 1 . 2]" 1
1465 1 54 VAL QG 1 90 TYR QD . . 3.450 2.767 2.360 3.034 . 0 0 "[ . 1 . 2]" 1
1466 1 54 VAL QG 1 90 TYR QE . . 3.410 2.751 2.061 3.133 . 0 0 "[ . 1 . 2]" 1
1467 1 55 GLY H 1 83 ASP QB . . 3.860 2.885 2.657 3.365 . 0 0 "[ . 1 . 2]" 1
1468 1 55 GLY QA 1 58 LYS H . . 4.660 3.481 3.286 3.683 . 0 0 "[ . 1 . 2]" 1
1469 1 55 GLY QA 1 58 LYS QB . . 4.320 3.115 2.822 3.509 . 0 0 "[ . 1 . 2]" 1
1470 1 55 GLY QA 1 58 LYS QD . . 3.950 2.424 1.985 3.945 . 0 0 "[ . 1 . 2]" 1
1471 1 55 GLY QA 1 83 ASP QB . . 3.580 2.087 1.841 2.514 . 0 0 "[ . 1 . 2]" 1
1472 1 56 SER H 1 56 SER QB . . 2.920 2.113 2.049 2.254 . 0 0 "[ . 1 . 2]" 1
1473 1 56 SER H 1 57 LEU QB . . 5.340 4.400 4.201 4.662 . 0 0 "[ . 1 . 2]" 1
1474 1 56 SER QB 1 57 LEU H . . 3.450 2.705 2.274 2.959 . 0 0 "[ . 1 . 2]" 1
1475 1 57 LEU HA 1 60 LYS QD . . 3.360 2.257 1.859 3.216 . 0 0 "[ . 1 . 2]" 1
1476 1 57 LEU QB 1 57 LEU MD1 . . 2.960 2.079 1.921 2.314 . 0 0 "[ . 1 . 2]" 1
1477 1 57 LEU QB 1 58 LYS H . . 3.000 2.466 2.151 2.705 . 0 0 "[ . 1 . 2]" 1
1478 1 57 LEU QB 1 74 LEU MD1 . . 3.580 2.616 2.322 2.946 . 0 0 "[ . 1 . 2]" 1
1479 1 57 LEU MD2 1 60 LYS QD . . 4.390 3.266 2.100 4.366 . 0 0 "[ . 1 . 2]" 1
1480 1 58 LYS H 1 58 LYS QG . . 3.960 2.446 1.937 3.205 . 0 0 "[ . 1 . 2]" 1
1481 1 58 LYS HA 1 58 LYS QG . . 3.170 2.333 2.062 2.480 . 0 0 "[ . 1 . 2]" 1
1482 1 58 LYS QB 1 58 LYS QD . . 3.300 2.070 1.954 2.134 . 0 0 "[ . 1 . 2]" 1
1483 1 58 LYS QB 1 58 LYS QE . . 4.020 3.463 3.164 3.670 . 0 0 "[ . 1 . 2]" 1
1484 1 58 LYS QB 1 59 GLU HG3 . . 4.060 3.645 3.358 3.872 . 0 0 "[ . 1 . 2]" 1
1485 1 58 LYS QB 1 69 ALA HA . . 3.260 2.305 2.047 2.530 . 0 0 "[ . 1 . 2]" 1
1486 1 58 LYS QB 1 69 ALA MB . . 3.150 1.828 1.768 1.949 . 0 0 "[ . 1 . 2]" 1
1487 1 58 LYS QB 1 74 LEU MD1 . . 4.830 3.689 3.416 3.940 . 0 0 "[ . 1 . 2]" 1
1488 1 58 LYS QE 1 58 LYS QG . . 3.100 2.090 1.952 2.324 . 0 0 "[ . 1 . 2]" 1
1489 1 58 LYS QG 1 69 ALA MB . . 4.040 3.235 2.641 3.542 . 0 0 "[ . 1 . 2]" 1
1490 1 58 LYS QD 1 69 ALA MB . . 5.090 2.316 1.968 2.925 . 0 0 "[ . 1 . 2]" 1
1491 1 58 LYS QD 1 74 LEU MD1 . . 4.920 3.154 1.895 3.836 . 0 0 "[ . 1 . 2]" 1
1492 1 58 LYS QE 1 73 LYS HA . . 4.200 2.926 2.301 3.590 . 0 0 "[ . 1 . 2]" 1
1493 1 58 LYS QE 1 74 LEU H . . 4.290 2.537 1.939 3.095 . 0 0 "[ . 1 . 2]" 1
1494 1 58 LYS QE 1 74 LEU HB2 . . 3.470 2.244 1.920 2.805 . 0 0 "[ . 1 . 2]" 1
1495 1 58 LYS QE 1 74 LEU HG . . 4.270 3.270 2.515 4.071 . 0 0 "[ . 1 . 2]" 1
1496 1 58 LYS QE 1 74 LEU MD1 . . 3.630 2.765 2.348 3.519 . 0 0 "[ . 1 . 2]" 1
1497 1 60 LYS H 1 60 LYS QG . . 3.310 2.880 2.233 3.285 . 0 0 "[ . 1 . 2]" 1
1498 1 60 LYS H 1 60 LYS QD . . 5.180 2.965 2.136 4.104 . 0 0 "[ . 1 . 2]" 1
1499 1 60 LYS HA 1 60 LYS QD . . 4.550 3.697 3.209 4.065 . 0 0 "[ . 1 . 2]" 1
1500 1 60 LYS HB2 1 60 LYS QD . . 3.490 2.185 1.988 2.769 . 0 0 "[ . 1 . 2]" 1
1501 1 60 LYS HB3 1 60 LYS QD . . 3.360 2.824 1.994 3.199 . 0 0 "[ . 1 . 2]" 1
1502 1 60 LYS HB3 1 60 LYS QE . . 4.810 4.005 3.587 4.279 . 0 0 "[ . 1 . 2]" 1
1503 1 60 LYS QD 1 60 LYS QG . . 2.340 2.074 2.042 2.092 . 0 0 "[ . 1 . 2]" 1
1504 1 60 LYS QE 1 60 LYS QG . . 2.950 2.159 1.972 2.338 . 0 0 "[ . 1 . 2]" 1
1505 1 61 ILE H 1 61 ILE QG . . 3.130 2.244 1.925 3.008 . 0 0 "[ . 1 . 2]" 1
1506 1 61 ILE HA 1 61 ILE QG . . 3.130 2.435 2.239 2.523 . 0 0 "[ . 1 . 2]" 1
1507 1 64 GLU H 1 64 GLU QG . . 3.460 2.415 2.250 2.647 . 0 0 "[ . 1 . 2]" 1
1508 1 64 GLU HB2 1 64 GLU QG . . 2.570 2.160 2.137 2.165 . 0 0 "[ . 1 . 2]" 1
1509 1 64 GLU QG 1 65 ILE H . . 4.310 4.013 3.861 4.175 . 0 0 "[ . 1 . 2]" 1
1510 1 64 GLU QG 1 65 ILE MG . . 4.700 4.417 4.315 4.533 . 0 0 "[ . 1 . 2]" 1
1511 1 66 GLN H 1 67 ILE QG . . 5.340 4.157 4.054 4.241 . 0 0 "[ . 1 . 2]" 1
1512 1 67 ILE H 1 67 ILE QG . . 4.040 2.889 2.697 2.981 . 0 0 "[ . 1 . 2]" 1
1513 1 67 ILE MG 1 71 LYS QG . . 4.750 3.104 2.791 3.391 . 0 0 "[ . 1 . 2]" 1
1514 1 67 ILE MG 1 71 LYS QD . . 4.080 2.765 2.121 3.117 . 0 0 "[ . 1 . 2]" 1
1515 1 67 ILE MG 1 72 GLN QG . . 3.430 2.497 2.066 2.750 . 0 0 "[ . 1 . 2]" 1
1516 1 67 ILE QG 1 68 PRO HD2 . . 5.110 3.920 3.356 4.196 . 0 0 "[ . 1 . 2]" 1
1517 1 67 ILE QG 1 68 PRO HD3 . . 5.340 4.672 4.151 4.925 . 0 0 "[ . 1 . 2]" 1
1518 1 68 PRO QG 1 71 LYS QG . . 3.500 2.952 1.991 3.473 . 0 0 "[ . 1 . 2]" 1
1519 1 68 PRO QG 1 71 LYS QD . . 4.590 2.653 1.758 4.041 . 0 0 "[ . 1 . 2]" 1
1520 1 68 PRO HD2 1 71 LYS QG . . 4.830 3.483 2.549 4.065 . 0 0 "[ . 1 . 2]" 1
1521 1 68 PRO HD2 1 71 LYS QD . . 4.160 2.796 2.025 4.047 . 0 0 "[ . 1 . 2]" 1
1522 1 69 ALA HA 1 72 GLN QG . . 4.070 2.159 1.949 2.430 . 0 0 "[ . 1 . 2]" 1
1523 1 70 ASN H 1 70 ASN QB . . 3.460 2.097 2.044 2.370 . 0 0 "[ . 1 . 2]" 1
1524 1 70 ASN H 1 70 ASN QD . . 5.340 3.915 2.701 4.713 . 0 0 "[ . 1 . 2]" 1
1525 1 71 LYS H 1 71 LYS QG . . 3.750 3.281 2.818 3.654 . 0 0 "[ . 1 . 2]" 1
1526 1 71 LYS H 1 72 GLN QG . . 4.690 3.936 3.767 4.130 . 0 0 "[ . 1 . 2]" 1
1527 1 71 LYS HA 1 71 LYS QD . . 3.500 3.402 3.025 3.501 0.001 16 0 "[ . 1 . 2]" 1
1528 1 71 LYS HA 1 103 ARG QB . . 3.760 2.952 2.599 3.272 . 0 0 "[ . 1 . 2]" 1
1529 1 71 LYS HB3 1 71 LYS QD . . 3.300 2.662 1.988 3.183 . 0 0 "[ . 1 . 2]" 1
1530 1 71 LYS HB3 1 102 LEU QD . . 4.860 3.741 3.084 4.511 . 0 0 "[ . 1 . 2]" 1
1531 1 71 LYS QE 1 71 LYS QG . . 3.360 2.106 1.960 2.266 . 0 0 "[ . 1 . 2]" 1
1532 1 72 GLN H 1 72 GLN QG . . 3.300 2.164 1.985 2.375 . 0 0 "[ . 1 . 2]" 1
1533 1 72 GLN HA 1 72 GLN QG . . 3.540 3.332 3.302 3.346 . 0 0 "[ . 1 . 2]" 1
1534 1 72 GLN HA 1 102 LEU QD . . 3.880 3.451 2.955 3.669 . 0 0 "[ . 1 . 2]" 1
1535 1 72 GLN QG 1 73 LYS H . . 5.280 4.225 3.936 4.366 . 0 0 "[ . 1 . 2]" 1
1536 1 73 LYS HB2 1 73 LYS QD . . 3.650 2.810 2.018 3.269 . 0 0 "[ . 1 . 2]" 1
1537 1 73 LYS HB2 1 73 LYS QE . . 4.460 3.760 3.201 4.235 . 0 0 "[ . 1 . 2]" 1
1538 1 73 LYS HB2 1 101 SER QB . . 4.080 3.252 2.712 4.075 . 0 0 "[ . 1 . 2]" 1
1539 1 73 LYS HB3 1 73 LYS QE . . 3.800 3.282 2.581 3.759 . 0 0 "[ . 1 . 2]" 1
1540 1 73 LYS QD 1 73 LYS QG . . 2.200 2.044 2.030 2.081 . 0 0 "[ . 1 . 2]" 1
1541 1 74 LEU MD2 1 100 LEU QB . . 3.820 2.807 2.477 3.102 . 0 0 "[ . 1 . 2]" 1
1542 1 75 SER H 1 75 SER QB . . 3.450 2.779 2.439 3.081 . 0 0 "[ . 1 . 2]" 1
1543 1 75 SER QB 1 76 GLY H . . 3.670 3.286 2.936 3.681 0.011 16 0 "[ . 1 . 2]" 1
1544 1 75 SER QB 1 80 PHE QD . . 3.940 3.045 2.532 3.611 . 0 0 "[ . 1 . 2]" 1
1545 1 75 SER QB 1 80 PHE QE . . 4.150 3.334 2.857 3.942 . 0 0 "[ . 1 . 2]" 1
1546 1 75 SER QB 1 81 LEU HG . . 5.330 4.626 4.234 5.010 . 0 0 "[ . 1 . 2]" 1
1547 1 75 SER QB 1 99 THR HB . . 3.710 3.135 2.324 3.717 0.007 12 0 "[ . 1 . 2]" 1
1548 1 75 SER QB 1 99 THR MG . . 4.710 3.987 3.299 4.508 . 0 0 "[ . 1 . 2]" 1
1549 1 76 GLY QA 1 78 ALA H . . 4.740 3.409 3.176 3.637 . 0 0 "[ . 1 . 2]" 1
1550 1 76 GLY QA 1 81 LEU MD1 . . 4.920 2.651 2.044 3.122 . 0 0 "[ . 1 . 2]" 1
1551 1 76 GLY QA 1 81 LEU MD2 . . 4.660 2.199 1.926 2.568 . 0 0 "[ . 1 . 2]" 1
1552 1 76 GLY QA 1 98 LEU MD2 . . 3.540 2.205 1.918 2.604 . 0 0 "[ . 1 . 2]" 1
1553 1 77 LYS H 1 77 LYS QB . . 3.620 2.190 2.063 2.453 . 0 0 "[ . 1 . 2]" 1
1554 1 77 LYS H 1 77 LYS QG . . 4.500 3.568 2.262 4.073 . 0 0 "[ . 1 . 2]" 1
1555 1 77 LYS HA 1 77 LYS QG . . 3.690 2.415 2.047 3.427 . 0 0 "[ . 1 . 2]" 1
1556 1 77 LYS QB 1 78 ALA H . . 3.810 2.560 2.267 3.453 . 0 0 "[ . 1 . 2]" 1
1557 1 77 LYS QE 1 77 LYS QG . . 3.330 2.046 1.945 2.297 . 0 0 "[ . 1 . 2]" 1
1558 1 77 LYS QG 1 78 ALA H . . 4.850 3.956 2.044 4.572 . 0 0 "[ . 1 . 2]" 1
1559 1 79 GLY QA 1 80 PHE H . . 2.950 2.261 2.235 2.283 . 0 0 "[ . 1 . 2]" 1
1560 1 80 PHE H 1 80 PHE QB . . 3.170 2.317 2.138 2.488 . 0 0 "[ . 1 . 2]" 1
1561 1 80 PHE QB 1 81 LEU H . . 4.010 3.583 3.376 3.789 . 0 0 "[ . 1 . 2]" 1
1562 1 81 LEU MD2 1 90 TYR QB . . 4.100 2.967 2.749 3.369 . 0 0 "[ . 1 . 2]" 1
1563 1 82 LYS H 1 82 LYS QB . . 3.250 2.544 2.484 2.631 . 0 0 "[ . 1 . 2]" 1
1564 1 82 LYS H 1 82 LYS QG . . 3.480 2.638 2.396 2.937 . 0 0 "[ . 1 . 2]" 1
1565 1 82 LYS QB 1 82 LYS QD . . 3.080 2.104 1.953 2.232 . 0 0 "[ . 1 . 2]" 1
1566 1 82 LYS QB 1 82 LYS QE . . 3.930 3.374 2.264 3.690 . 0 0 "[ . 1 . 2]" 1
1567 1 82 LYS QB 1 83 ASP H . . 3.610 3.054 2.890 3.126 . 0 0 "[ . 1 . 2]" 1
1568 1 82 LYS QB 1 84 ASN H . . 3.860 2.737 2.517 2.916 . 0 0 "[ . 1 . 2]" 1
1569 1 82 LYS QB 1 85 MET HB2 . . 3.820 2.527 2.011 3.686 . 0 0 "[ . 1 . 2]" 1
1570 1 82 LYS QB 1 90 TYR QE . . 5.340 3.797 3.248 4.398 . 0 0 "[ . 1 . 2]" 1
1571 1 82 LYS QD 1 82 LYS QG . . 2.440 2.069 2.021 2.092 . 0 0 "[ . 1 . 2]" 1
1572 1 82 LYS QE 1 82 LYS QG . . 3.120 2.124 1.975 2.388 . 0 0 "[ . 1 . 2]" 1
1573 1 82 LYS QG 1 84 ASN H . . 5.340 4.853 4.665 4.991 . 0 0 "[ . 1 . 2]" 1
1574 1 83 ASP H 1 83 ASP QB . . 3.420 2.409 2.112 2.735 . 0 0 "[ . 1 . 2]" 1
1575 1 83 ASP QB 1 84 ASN H . . 3.720 3.197 2.608 3.566 . 0 0 "[ . 1 . 2]" 1
1576 1 84 ASN H 1 84 ASN QB . . 3.430 2.076 2.045 2.145 . 0 0 "[ . 1 . 2]" 1
1577 1 84 ASN H 1 84 ASN QD . . 5.340 3.878 2.888 4.680 . 0 0 "[ . 1 . 2]" 1
1578 1 85 MET HB3 1 89 HIS QB . . 4.640 3.762 2.756 4.332 . 0 0 "[ . 1 . 2]" 1
1579 1 85 MET ME 1 85 MET QG . . 3.410 2.122 1.980 2.361 . 0 0 "[ . 1 . 2]" 1
1580 1 85 MET ME 1 89 HIS QB . . 4.210 3.039 2.089 3.652 . 0 0 "[ . 1 . 2]" 1
1581 1 86 SER H 1 86 SER QB . . 3.270 2.567 2.379 2.679 . 0 0 "[ . 1 . 2]" 1
1582 1 86 SER QB 1 88 ALA MB . . 4.180 3.300 3.156 3.449 . 0 0 "[ . 1 . 2]" 1
1583 1 86 SER QB 1 89 HIS H . . 4.060 2.636 2.336 2.838 . 0 0 "[ . 1 . 2]" 1
1584 1 87 LEU HA 1 90 TYR QB . . 4.360 2.882 2.622 3.505 . 0 0 "[ . 1 . 2]" 1
1585 1 89 HIS QB 1 90 TYR H . . 3.440 2.557 2.289 2.782 . 0 0 "[ . 1 . 2]" 1
1586 1 90 TYR H 1 90 TYR QB . . 3.210 2.226 2.117 2.313 . 0 0 "[ . 1 . 2]" 1
1587 1 90 TYR QB 1 92 VAL H . . 5.120 3.610 3.241 4.422 . 0 0 "[ . 1 . 2]" 1
1588 1 91 ASN QB 1 92 VAL H . . 4.290 3.877 3.812 3.912 . 0 0 "[ . 1 . 2]" 1
1589 1 91 ASN QB 1 92 VAL QG . . 5.340 3.901 3.659 4.742 . 0 0 "[ . 1 . 2]" 1
1590 1 92 VAL HA 1 96 GLU QB . . 3.670 2.021 1.921 2.138 . 0 0 "[ . 1 . 2]" 1
1591 1 92 VAL HA 1 96 GLU QG . . 4.050 3.091 2.626 3.602 . 0 0 "[ . 1 . 2]" 1
1592 1 92 VAL QG 1 96 GLU QB . . 3.430 2.060 1.782 2.537 . 0 0 "[ . 1 . 2]" 1
1593 1 93 GLY H 1 96 GLU QB . . 3.680 2.497 2.113 2.801 . 0 0 "[ . 1 . 2]" 1
1594 1 93 GLY H 1 96 GLU QG . . 4.480 4.337 3.961 4.484 0.004 9 0 "[ . 1 . 2]" 1
1595 1 93 GLY QA 1 94 ALA MB . . 4.150 3.672 3.517 3.774 . 0 0 "[ . 1 . 2]" 1
1596 1 94 ALA HA 1 95 GLY QA . . 4.850 3.986 3.920 4.044 . 0 0 "[ . 1 . 2]" 1
1597 1 96 GLU H 1 96 GLU QB . . 3.050 2.215 2.059 2.296 . 0 0 "[ . 1 . 2]" 1
1598 1 96 GLU HA 1 97 ILE QG . . 4.960 3.573 3.373 3.783 . 0 0 "[ . 1 . 2]" 1
1599 1 96 GLU QB 1 97 ILE H . . 3.870 3.518 2.985 3.805 . 0 0 "[ . 1 . 2]" 1
1600 1 96 GLU QG 1 97 ILE H . . 3.670 2.499 1.963 3.648 . 0 0 "[ . 1 . 2]" 1
1601 1 97 ILE H 1 97 ILE QG . . 3.690 2.724 2.523 2.905 . 0 0 "[ . 1 . 2]" 1
1602 1 97 ILE QG 1 98 LEU H . . 4.710 4.107 3.852 4.617 . 0 0 "[ . 1 . 2]" 1
1603 1 99 THR MG 1 101 SER QB . . 4.770 4.075 3.460 4.444 . 0 0 "[ . 1 . 2]" 1
1604 1 100 LEU QB 1 100 LEU MD2 . . 3.160 2.020 1.926 2.097 . 0 0 "[ . 1 . 2]" 1
1605 1 101 SER H 1 101 SER QB . . 3.710 2.519 2.327 2.897 . 0 0 "[ . 1 . 2]" 1
1606 1 101 SER QB 1 102 LEU H . . 3.240 2.980 2.642 3.148 . 0 0 "[ . 1 . 2]" 1
1607 1 102 LEU H 1 102 LEU QD . . 4.220 3.597 3.011 3.828 . 0 0 "[ . 1 . 2]" 1
1608 1 102 LEU HA 1 102 LEU QD . . 3.350 2.284 1.880 2.725 . 0 0 "[ . 1 . 2]" 1
1609 1 102 LEU HB3 1 102 LEU QD . . 3.090 2.143 1.945 2.334 . 0 0 "[ . 1 . 2]" 1
1610 1 102 LEU QD 1 103 ARG H . . 4.530 2.713 1.823 3.711 . 0 0 "[ . 1 . 2]" 1
1611 1 103 ARG H 1 103 ARG QB . . 2.990 2.217 2.082 2.370 . 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 10
_Distance_constraint_stats_list.Viol_count 99
_Distance_constraint_stats_list.Viol_total 23.215
_Distance_constraint_stats_list.Viol_max 0.019
_Distance_constraint_stats_list.Viol_rms 0.0063
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0117
_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 32 VAL 0.232 0.014 12 0 "[ . 1 . 2]"
1 43 MET 0.232 0.014 12 0 "[ . 1 . 2]"
1 73 LYS 0.418 0.019 14 0 "[ . 1 . 2]"
1 75 SER 0.511 0.019 4 0 "[ . 1 . 2]"
1 99 THR 0.511 0.019 4 0 "[ . 1 . 2]"
1 101 SER 0.418 0.019 14 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 75 SER H 1 99 THR O . . 2.000 2.014 2.011 2.019 0.019 4 0 "[ . 1 . 2]" 2
2 1 75 SER N 1 99 THR O . . 3.000 2.989 2.986 2.992 . 0 0 "[ . 1 . 2]" 2
3 1 75 SER O 1 99 THR H . . 2.000 2.012 2.009 2.015 0.015 4 0 "[ . 1 . 2]" 2
4 1 75 SER O 1 99 THR N . . 3.000 2.989 2.986 2.992 . 0 0 "[ . 1 . 2]" 2
5 1 73 LYS H 1 101 SER O . . 2.000 2.010 2.000 2.019 0.019 14 0 "[ . 1 . 2]" 2
6 1 73 LYS N 1 101 SER O . . 3.000 2.989 2.979 2.999 . 0 0 "[ . 1 . 2]" 2
7 1 73 LYS O 1 101 SER H . . 2.000 2.011 2.002 2.017 0.017 14 0 "[ . 1 . 2]" 2
8 1 73 LYS O 1 101 SER N . . 3.000 2.990 2.982 2.996 . 0 0 "[ . 1 . 2]" 2
9 1 32 VAL O 1 43 MET H . . 2.000 2.012 2.009 2.014 0.014 12 0 "[ . 1 . 2]" 2
10 1 32 VAL O 1 43 MET N . . 3.000 2.987 2.982 2.991 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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