NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
490271 |
2kp5   |
15743 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kp5
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 713
_Distance_constraint_stats_list.Viol_count 1136
_Distance_constraint_stats_list.Viol_total 597.504
_Distance_constraint_stats_list.Viol_max 0.339
_Distance_constraint_stats_list.Viol_rms 0.0124
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0263
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.446 0.070 13 0 "[ . 1 . 2]"
1 6 VAL 0.943 0.064 8 0 "[ . 1 . 2]"
1 7 LYS 0.084 0.025 12 0 "[ . 1 . 2]"
1 8 LEU 0.560 0.044 12 0 "[ . 1 . 2]"
1 9 TYR 0.485 0.044 18 0 "[ . 1 . 2]"
1 10 GLU 0.468 0.151 18 0 "[ . 1 . 2]"
1 11 ASP 0.547 0.321 18 0 "[ . 1 . 2]"
1 12 THR 0.402 0.047 7 0 "[ . 1 . 2]"
1 13 HIS 0.915 0.160 12 0 "[ . 1 . 2]"
1 14 PHE 0.048 0.017 11 0 "[ . 1 . 2]"
1 15 LYS 1.048 0.321 18 0 "[ . 1 . 2]"
1 16 GLY 0.293 0.151 18 0 "[ . 1 . 2]"
1 17 TYR 0.343 0.130 18 0 "[ . 1 . 2]"
1 18 SER 0.202 0.028 14 0 "[ . 1 . 2]"
1 19 VAL 0.667 0.062 6 0 "[ . 1 . 2]"
1 20 GLU 0.132 0.030 7 0 "[ . 1 . 2]"
1 21 LEU 2.017 0.083 19 0 "[ . 1 . 2]"
1 22 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 VAL 3.908 0.339 17 0 "[ . 1 . 2]"
1 24 GLY 0.177 0.065 5 0 "[ . 1 . 2]"
1 25 ASP 4.565 0.157 17 0 "[ . 1 . 2]"
1 26 TYR 6.443 0.157 17 0 "[ . 1 . 2]"
1 27 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LEU 1.276 0.092 19 0 "[ . 1 . 2]"
1 29 SER 0.985 0.064 14 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 1.488 0.092 19 0 "[ . 1 . 2]"
1 32 ILE 0.513 0.060 20 0 "[ . 1 . 2]"
1 33 SER 0.425 0.080 14 0 "[ . 1 . 2]"
1 34 ARG 0.601 0.064 20 0 "[ . 1 . 2]"
1 35 GLY 0.288 0.064 20 0 "[ . 1 . 2]"
1 36 ALA 0.066 0.018 18 0 "[ . 1 . 2]"
1 37 LEU 0.222 0.086 14 0 "[ . 1 . 2]"
1 38 ASN 0.125 0.051 15 0 "[ . 1 . 2]"
1 39 ASP 0.352 0.173 19 0 "[ . 1 . 2]"
1 40 ASP 1.682 0.184 20 0 "[ . 1 . 2]"
1 41 LEU 0.866 0.082 19 0 "[ . 1 . 2]"
1 42 SER 0.461 0.087 14 0 "[ . 1 . 2]"
1 43 SER 0.546 0.100 20 0 "[ . 1 . 2]"
1 44 ALA 0.018 0.018 3 0 "[ . 1 . 2]"
1 45 ARG 0.177 0.031 4 0 "[ . 1 . 2]"
1 46 VAL 1.109 0.074 19 0 "[ . 1 . 2]"
1 47 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.331 0.064 12 0 "[ . 1 . 2]"
1 50 LEU 0.577 0.082 4 0 "[ . 1 . 2]"
1 51 ARG 1.241 0.105 17 0 "[ . 1 . 2]"
1 52 LEU 0.509 0.069 15 0 "[ . 1 . 2]"
1 53 GLU 0.529 0.259 16 0 "[ . 1 . 2]"
1 54 VAL 0.185 0.028 3 0 "[ . 1 . 2]"
1 55 PHE 0.021 0.008 10 0 "[ . 1 . 2]"
1 56 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 HIS 0.136 0.083 15 0 "[ . 1 . 2]"
1 58 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASN 0.021 0.013 12 0 "[ . 1 . 2]"
1 60 PHE 0.619 0.032 7 0 "[ . 1 . 2]"
1 61 LYS 0.127 0.083 15 0 "[ . 1 . 2]"
1 62 GLY 0.017 0.009 3 0 "[ . 1 . 2]"
1 63 VAL 0.042 0.020 15 0 "[ . 1 . 2]"
1 64 ARG 0.175 0.020 7 0 "[ . 1 . 2]"
1 65 ASP 0.006 0.006 1 0 "[ . 1 . 2]"
1 66 PHE 0.158 0.028 3 0 "[ . 1 . 2]"
1 67 TYR 0.355 0.039 19 0 "[ . 1 . 2]"
1 68 THR 0.116 0.020 13 0 "[ . 1 . 2]"
1 69 SER 0.367 0.074 19 0 "[ . 1 . 2]"
1 70 ASP 0.190 0.065 20 0 "[ . 1 . 2]"
1 71 ALA 0.181 0.039 19 0 "[ . 1 . 2]"
1 72 ALA 0.289 0.056 13 0 "[ . 1 . 2]"
1 73 GLU 0.292 0.047 7 0 "[ . 1 . 2]"
1 74 LEU 2.432 0.184 20 0 "[ . 1 . 2]"
1 75 SER 0.307 0.054 9 0 "[ . 1 . 2]"
1 76 ARG 0.347 0.081 19 0 "[ . 1 . 2]"
1 77 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ASN 0.129 0.044 19 0 "[ . 1 . 2]"
1 79 ASP 0.677 0.173 19 0 "[ . 1 . 2]"
1 80 ALA 0.308 0.086 14 0 "[ . 1 . 2]"
1 81 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 SER 0.781 0.064 14 0 "[ . 1 . 2]"
1 83 VAL 1.274 0.073 5 0 "[ . 1 . 2]"
1 84 ARG 2.604 0.125 8 0 "[ . 1 . 2]"
1 85 VAL 3.023 0.339 17 0 "[ . 1 . 2]"
1 86 SER 3.740 0.201 16 0 "[ . 1 . 2]"
1 87 LYS 0.009 0.007 13 0 "[ . 1 . 2]"
1 88 MET 0.670 0.064 12 0 "[ . 1 . 2]"
1 89 GLU 0.094 0.020 12 0 "[ . 1 . 2]"
1 90 THR 0.239 0.040 12 0 "[ . 1 . 2]"
1 91 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 92 ASN 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 4 LYS H 1 4 LYS HD2 . . 5.000 3.713 2.311 4.924 . 0 0 "[ . 1 . 2]" 1
2 1 4 LYS H 1 4 LYS HD3 . . 5.000 4.011 2.672 4.945 . 0 0 "[ . 1 . 2]" 1
3 1 4 LYS H 1 4 LYS HG2 . . 5.000 3.249 2.070 4.682 . 0 0 "[ . 1 . 2]" 1
4 1 4 LYS H 1 4 LYS HG3 . . 5.000 3.469 2.420 4.327 . 0 0 "[ . 1 . 2]" 1
5 1 4 LYS HB2 1 5 THR H . . 5.000 4.295 3.440 4.592 . 0 0 "[ . 1 . 2]" 1
6 1 5 THR H 1 87 LYS HD2 . . 5.540 5.267 3.995 5.547 0.007 13 0 "[ . 1 . 2]" 1
7 1 5 THR HA 1 6 VAL H . . 5.000 2.294 2.195 2.520 . 0 0 "[ . 1 . 2]" 1
8 1 5 THR HA 1 21 LEU H . . 5.000 4.409 3.805 5.005 0.005 12 0 "[ . 1 . 2]" 1
9 1 5 THR HA 1 23 VAL H . . 5.000 4.830 4.041 5.070 0.070 13 0 "[ . 1 . 2]" 1
10 1 5 THR HB 1 20 GLU HG2 . . 5.000 4.825 4.192 5.030 0.030 7 0 "[ . 1 . 2]" 1
11 1 5 THR HB 1 20 GLU HG3 . . 5.000 4.452 3.313 5.007 0.007 11 0 "[ . 1 . 2]" 1
12 1 5 THR MG 1 6 VAL H . . 5.000 3.625 2.067 4.012 . 0 0 "[ . 1 . 2]" 1
13 1 5 THR MG 1 20 GLU HG3 . . 5.000 3.760 2.509 4.491 . 0 0 "[ . 1 . 2]" 1
14 1 6 VAL H 1 20 GLU HB2 . . 5.000 4.499 3.611 5.016 0.016 7 0 "[ . 1 . 2]" 1
15 1 6 VAL H 1 21 LEU H . . 5.000 3.114 2.587 3.618 . 0 0 "[ . 1 . 2]" 1
16 1 6 VAL H 1 21 LEU MD1 . . 5.930 5.100 4.464 5.880 . 0 0 "[ . 1 . 2]" 1
17 1 6 VAL H 1 52 LEU MD2 . . 5.000 4.886 3.844 5.032 0.032 18 0 "[ . 1 . 2]" 1
18 1 6 VAL HA 1 7 LYS H . . 5.000 2.186 2.139 2.392 . 0 0 "[ . 1 . 2]" 1
19 1 6 VAL HA 1 45 ARG H . . 5.750 5.336 4.687 5.781 0.031 4 0 "[ . 1 . 2]" 1
20 1 6 VAL HA 1 46 VAL HA . . 5.000 2.781 2.417 3.177 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL HA 1 46 VAL MG1 . . 5.000 3.938 1.946 5.046 0.046 1 0 "[ . 1 . 2]" 1
22 1 6 VAL HA 1 47 PRO HD2 . . 5.000 3.296 2.677 3.846 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL HA 1 47 PRO HD3 . . 6.140 3.495 2.010 4.831 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL HB 1 7 LYS H . . 5.000 3.793 2.455 4.266 . 0 0 "[ . 1 . 2]" 1
25 1 6 VAL HB 1 21 LEU MD2 . . 6.420 6.091 4.820 6.443 0.023 14 0 "[ . 1 . 2]" 1
26 1 6 VAL HB 1 46 VAL MG1 . . 5.000 3.288 1.949 4.463 . 0 0 "[ . 1 . 2]" 1
27 1 6 VAL MG1 1 46 VAL HA . . 5.000 4.189 2.267 5.064 0.064 8 0 "[ . 1 . 2]" 1
28 1 6 VAL MG1 1 46 VAL MG1 . . 5.000 3.585 1.810 4.975 . 0 0 "[ . 1 . 2]" 1
29 1 6 VAL MG2 1 46 VAL HA . . 5.000 3.538 2.035 5.024 0.024 1 0 "[ . 1 . 2]" 1
30 1 6 VAL MG2 1 46 VAL MG2 . . 5.000 3.904 3.083 5.026 0.026 4 0 "[ . 1 . 2]" 1
31 1 7 LYS H 1 7 LYS HD2 . . 5.000 3.704 2.080 5.011 0.011 4 0 "[ . 1 . 2]" 1
32 1 7 LYS H 1 7 LYS HG2 . . 5.000 4.287 3.820 4.810 . 0 0 "[ . 1 . 2]" 1
33 1 7 LYS H 1 7 LYS HG3 . . 5.000 3.438 2.527 4.208 . 0 0 "[ . 1 . 2]" 1
34 1 7 LYS H 1 45 ARG H . . 5.000 3.588 3.085 4.164 . 0 0 "[ . 1 . 2]" 1
35 1 7 LYS H 1 46 VAL HA . . 5.000 3.521 3.002 4.163 . 0 0 "[ . 1 . 2]" 1
36 1 7 LYS HA 1 8 LEU H . . 5.000 2.182 2.141 2.381 . 0 0 "[ . 1 . 2]" 1
37 1 7 LYS HA 1 19 VAL H . . 5.000 3.726 3.275 4.141 . 0 0 "[ . 1 . 2]" 1
38 1 7 LYS HA 1 20 GLU HA . . 5.000 2.688 2.081 3.335 . 0 0 "[ . 1 . 2]" 1
39 1 7 LYS HA 1 21 LEU H . . 5.000 4.390 3.674 5.011 0.011 4 0 "[ . 1 . 2]" 1
40 1 7 LYS HD2 1 8 LEU H . . 5.820 5.678 4.990 5.845 0.025 12 0 "[ . 1 . 2]" 1
41 1 7 LYS HD2 1 45 ARG H . . 5.960 5.292 4.051 5.963 0.003 16 0 "[ . 1 . 2]" 1
42 1 7 LYS HG2 1 20 GLU HA . . 5.000 4.372 2.755 5.010 0.010 1 0 "[ . 1 . 2]" 1
43 1 7 LYS HG3 1 8 LEU H . . 5.000 4.576 3.267 5.001 0.001 4 0 "[ . 1 . 2]" 1
44 1 8 LEU H 1 8 LEU MD1 . . 5.000 3.387 2.155 3.962 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU H 1 8 LEU MD2 . . 5.000 3.683 2.583 4.595 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU H 1 8 LEU HG . . 5.000 2.974 1.961 4.540 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU H 1 9 TYR H . . 5.000 4.474 4.278 4.548 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU H 1 18 SER HA . . 5.000 4.335 3.714 4.763 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU H 1 18 SER HB2 . . 5.000 4.694 3.303 5.018 0.018 13 0 "[ . 1 . 2]" 1
50 1 8 LEU H 1 18 SER HB3 . . 5.000 4.640 4.142 5.020 0.020 13 0 "[ . 1 . 2]" 1
51 1 8 LEU H 1 19 VAL H . . 5.000 2.557 2.088 2.992 . 0 0 "[ . 1 . 2]" 1
52 1 8 LEU H 1 19 VAL HB . . 5.000 3.996 2.784 5.044 0.044 12 0 "[ . 1 . 2]" 1
53 1 8 LEU H 1 19 VAL MG2 . . 5.000 4.429 4.117 4.820 . 0 0 "[ . 1 . 2]" 1
54 1 8 LEU H 1 20 GLU HA . . 5.000 3.703 3.174 4.075 . 0 0 "[ . 1 . 2]" 1
55 1 8 LEU H 1 21 LEU MD1 . . 6.050 5.409 4.012 6.093 0.043 13 0 "[ . 1 . 2]" 1
56 1 8 LEU H 1 21 LEU MD2 . . 5.000 3.997 2.967 5.034 0.034 3 0 "[ . 1 . 2]" 1
57 1 8 LEU H 1 44 ALA HA . . 5.000 4.767 4.372 4.996 . 0 0 "[ . 1 . 2]" 1
58 1 8 LEU HA 1 9 TYR H . . 5.000 2.156 2.146 2.203 . 0 0 "[ . 1 . 2]" 1
59 1 8 LEU HA 1 43 SER H . . 6.270 5.362 5.036 5.699 . 0 0 "[ . 1 . 2]" 1
60 1 8 LEU HA 1 44 ALA HA . . 5.000 2.280 1.988 2.754 . 0 0 "[ . 1 . 2]" 1
61 1 8 LEU HA 1 45 ARG H . . 5.000 3.487 2.962 4.018 . 0 0 "[ . 1 . 2]" 1
62 1 8 LEU HB2 1 44 ALA HA . . 5.900 5.182 4.609 5.693 . 0 0 "[ . 1 . 2]" 1
63 1 8 LEU HB3 1 19 VAL H . . 5.000 4.393 3.872 4.865 . 0 0 "[ . 1 . 2]" 1
64 1 8 LEU MD1 1 19 VAL H . . 5.000 4.697 3.875 5.016 0.016 12 0 "[ . 1 . 2]" 1
65 1 8 LEU HG 1 21 LEU MD1 . . 5.000 4.267 2.827 5.036 0.036 8 0 "[ . 1 . 2]" 1
66 1 9 TYR H 1 41 LEU MD1 . . 5.000 4.118 2.521 5.018 0.018 20 0 "[ . 1 . 2]" 1
67 1 9 TYR H 1 42 SER H . . 5.000 4.863 4.308 5.032 0.032 8 0 "[ . 1 . 2]" 1
68 1 9 TYR H 1 43 SER H . . 5.000 3.650 3.318 3.907 . 0 0 "[ . 1 . 2]" 1
69 1 9 TYR H 1 44 ALA HA . . 5.000 2.552 1.997 3.110 . 0 0 "[ . 1 . 2]" 1
70 1 9 TYR HA 1 10 GLU H . . 5.000 2.205 2.139 2.274 . 0 0 "[ . 1 . 2]" 1
71 1 9 TYR HA 1 11 ASP H . . 5.000 3.889 3.426 4.140 . 0 0 "[ . 1 . 2]" 1
72 1 9 TYR HA 1 17 TYR H . . 5.000 4.982 4.687 5.044 0.044 18 0 "[ . 1 . 2]" 1
73 1 9 TYR HA 1 18 SER HA . . 5.000 2.837 2.352 3.071 . 0 0 "[ . 1 . 2]" 1
74 1 9 TYR HA 1 19 VAL H . . 5.000 4.060 3.937 4.174 . 0 0 "[ . 1 . 2]" 1
75 1 9 TYR HB2 1 14 PHE H . . 5.000 4.514 3.822 5.017 0.017 11 0 "[ . 1 . 2]" 1
76 1 9 TYR HB2 1 15 LYS H . . 6.320 4.940 3.396 6.105 . 0 0 "[ . 1 . 2]" 1
77 1 9 TYR HB3 1 10 GLU H . . 5.000 3.191 2.765 4.097 . 0 0 "[ . 1 . 2]" 1
78 1 9 TYR QD 1 10 GLU H . . 5.740 3.497 1.920 4.541 . 0 0 "[ . 1 . 2]" 1
79 1 9 TYR QD 1 11 ASP H . . 5.820 3.750 2.630 5.021 . 0 0 "[ . 1 . 2]" 1
80 1 9 TYR QD 1 18 SER HB2 . . 5.000 4.689 3.899 5.028 0.028 14 0 "[ . 1 . 2]" 1
81 1 9 TYR QD 1 18 SER HB3 . . 5.000 3.232 2.429 3.729 . 0 0 "[ . 1 . 2]" 1
82 1 9 TYR QD 1 44 ALA H . . 6.420 4.750 3.755 5.765 . 0 0 "[ . 1 . 2]" 1
83 1 10 GLU H 1 10 GLU HG2 . . 5.000 2.405 2.148 3.608 . 0 0 "[ . 1 . 2]" 1
84 1 10 GLU H 1 10 GLU HG3 . . 5.000 3.790 3.632 3.930 . 0 0 "[ . 1 . 2]" 1
85 1 10 GLU H 1 11 ASP H . . 5.000 2.431 2.175 2.695 . 0 0 "[ . 1 . 2]" 1
86 1 10 GLU H 1 17 TYR H . . 5.000 4.021 3.620 4.385 . 0 0 "[ . 1 . 2]" 1
87 1 10 GLU H 1 18 SER HA . . 5.820 4.405 3.556 4.869 . 0 0 "[ . 1 . 2]" 1
88 1 10 GLU H 1 41 LEU MD1 . . 5.000 3.985 3.115 5.014 0.014 8 0 "[ . 1 . 2]" 1
89 1 10 GLU HA 1 11 ASP H . . 5.000 3.469 3.250 3.540 . 0 0 "[ . 1 . 2]" 1
90 1 10 GLU HA 1 41 LEU HA . . 5.000 2.118 1.972 2.870 . 0 0 "[ . 1 . 2]" 1
91 1 10 GLU HA 1 42 SER H . . 5.000 2.464 1.932 2.939 . 0 0 "[ . 1 . 2]" 1
92 1 10 GLU HA 1 43 SER H . . 5.000 3.818 3.363 4.224 . 0 0 "[ . 1 . 2]" 1
93 1 10 GLU HB3 1 11 ASP H . . 5.000 3.946 3.763 4.267 . 0 0 "[ . 1 . 2]" 1
94 1 10 GLU HB3 1 17 TYR H . . 5.000 4.685 3.897 5.130 0.130 18 0 "[ . 1 . 2]" 1
95 1 10 GLU HG2 1 11 ASP H . . 5.000 2.172 1.944 3.158 . 0 0 "[ . 1 . 2]" 1
96 1 10 GLU HG2 1 12 THR H . . 6.060 6.057 5.979 6.103 0.043 13 0 "[ . 1 . 2]" 1
97 1 10 GLU HG2 1 16 GLY HA2 . . 5.540 4.720 3.560 5.691 0.151 18 0 "[ . 1 . 2]" 1
98 1 10 GLU HG2 1 16 GLY HA3 . . 5.000 3.081 2.055 4.067 . 0 0 "[ . 1 . 2]" 1
99 1 10 GLU HG3 1 11 ASP H . . 5.000 3.349 2.392 4.414 . 0 0 "[ . 1 . 2]" 1
100 1 10 GLU HG3 1 16 GLY HA3 . . 5.000 4.107 3.111 5.008 0.008 18 0 "[ . 1 . 2]" 1
101 1 10 GLU HG3 1 17 TYR H . . 6.400 4.463 3.712 5.011 . 0 0 "[ . 1 . 2]" 1
102 1 11 ASP H 1 12 THR H . . 5.000 4.486 4.278 4.588 . 0 0 "[ . 1 . 2]" 1
103 1 11 ASP H 1 15 LYS H . . 5.000 4.247 3.821 5.321 0.321 18 0 "[ . 1 . 2]" 1
104 1 11 ASP H 1 16 GLY HA3 . . 5.960 3.818 2.632 4.701 . 0 0 "[ . 1 . 2]" 1
105 1 11 ASP H 1 41 LEU HA . . 6.370 5.377 4.876 5.948 . 0 0 "[ . 1 . 2]" 1
106 1 11 ASP HA 1 12 THR H . . 5.000 2.344 2.157 2.848 . 0 0 "[ . 1 . 2]" 1
107 1 11 ASP HA 1 42 SER H . . 5.000 4.615 3.811 5.057 0.057 11 0 "[ . 1 . 2]" 1
108 1 11 ASP HA 1 42 SER HB2 . . 5.000 3.183 2.063 4.751 . 0 0 "[ . 1 . 2]" 1
109 1 11 ASP HA 1 42 SER HB3 . . 5.000 3.810 3.104 4.773 . 0 0 "[ . 1 . 2]" 1
110 1 11 ASP HB2 1 12 THR H . . 5.000 4.110 3.469 4.450 . 0 0 "[ . 1 . 2]" 1
111 1 11 ASP HB3 1 12 THR H . . 5.000 3.162 2.071 4.105 . 0 0 "[ . 1 . 2]" 1
112 1 11 ASP HB3 1 15 LYS H . . 5.000 2.683 1.947 3.785 . 0 0 "[ . 1 . 2]" 1
113 1 11 ASP HB3 1 16 GLY H . . 5.000 4.419 2.001 5.084 0.084 18 0 "[ . 1 . 2]" 1
114 1 12 THR H 1 13 HIS H . . 5.000 4.113 2.095 4.646 . 0 0 "[ . 1 . 2]" 1
115 1 12 THR H 1 42 SER HB2 . . 5.000 3.592 2.087 4.848 . 0 0 "[ . 1 . 2]" 1
116 1 12 THR H 1 42 SER HB3 . . 5.000 3.509 2.277 5.000 . 0 0 "[ . 1 . 2]" 1
117 1 12 THR HA 1 13 HIS H . . 5.000 2.504 2.229 3.454 . 0 0 "[ . 1 . 2]" 1
118 1 12 THR HA 1 14 PHE H . . 5.950 3.780 3.000 5.553 . 0 0 "[ . 1 . 2]" 1
119 1 12 THR HB 1 13 HIS H . . 5.000 3.402 2.339 4.660 . 0 0 "[ . 1 . 2]" 1
120 1 12 THR HB 1 73 GLU HB2 . . 5.950 5.754 5.115 5.974 0.024 18 0 "[ . 1 . 2]" 1
121 1 12 THR HB 1 73 GLU HG2 . . 5.560 5.059 3.509 5.567 0.007 18 0 "[ . 1 . 2]" 1
122 1 12 THR HB 1 73 GLU HG3 . . 5.540 5.058 3.513 5.548 0.008 18 0 "[ . 1 . 2]" 1
123 1 12 THR MG 1 13 HIS H . . 5.000 3.906 3.228 4.358 . 0 0 "[ . 1 . 2]" 1
124 1 12 THR MG 1 14 PHE H . . 6.190 5.357 4.866 6.177 . 0 0 "[ . 1 . 2]" 1
125 1 12 THR MG 1 42 SER HB2 . . 5.000 3.204 2.083 4.751 . 0 0 "[ . 1 . 2]" 1
126 1 12 THR MG 1 42 SER HB3 . . 5.000 2.565 1.886 3.943 . 0 0 "[ . 1 . 2]" 1
127 1 12 THR MG 1 73 GLU HA . . 5.000 4.398 3.260 5.047 0.047 7 0 "[ . 1 . 2]" 1
128 1 12 THR MG 1 73 GLU HB2 . . 6.180 5.407 4.471 6.143 . 0 0 "[ . 1 . 2]" 1
129 1 12 THR MG 1 73 GLU HG2 . . 5.000 4.186 3.396 4.971 . 0 0 "[ . 1 . 2]" 1
130 1 13 HIS H 1 14 PHE H . . 5.000 2.616 1.853 4.029 . 0 0 "[ . 1 . 2]" 1
131 1 13 HIS H 1 72 ALA MB . . 5.000 3.792 2.229 5.002 0.002 19 0 "[ . 1 . 2]" 1
132 1 13 HIS HA 1 14 PHE H . . 5.000 3.061 2.819 3.568 . 0 0 "[ . 1 . 2]" 1
133 1 13 HIS HA 1 15 LYS H . . 5.000 4.989 4.472 5.160 0.160 12 0 "[ . 1 . 2]" 1
134 1 13 HIS HA 1 72 ALA HA . . 5.000 4.807 2.615 5.056 0.056 13 0 "[ . 1 . 2]" 1
135 1 13 HIS HA 1 72 ALA MB . . 5.000 3.737 2.675 4.753 . 0 0 "[ . 1 . 2]" 1
136 1 13 HIS HB2 1 14 PHE H . . 5.000 4.016 2.492 4.574 . 0 0 "[ . 1 . 2]" 1
137 1 14 PHE H 1 14 PHE QD . . 5.000 3.212 2.628 4.502 . 0 0 "[ . 1 . 2]" 1
138 1 14 PHE H 1 15 LYS H . . 5.000 2.682 1.820 3.000 . 0 0 "[ . 1 . 2]" 1
139 1 14 PHE H 1 72 ALA MB . . 5.970 5.066 3.465 5.972 0.002 11 0 "[ . 1 . 2]" 1
140 1 14 PHE HA 1 15 LYS H . . 5.000 2.749 2.602 3.480 . 0 0 "[ . 1 . 2]" 1
141 1 14 PHE QD 1 15 LYS H . . 5.000 4.626 4.050 4.955 . 0 0 "[ . 1 . 2]" 1
142 1 14 PHE QD 1 45 ARG HG3 . . 6.320 4.643 3.361 6.322 0.002 20 0 "[ . 1 . 2]" 1
143 1 15 LYS H 1 15 LYS HD2 . . 5.840 5.038 3.255 5.854 0.014 4 0 "[ . 1 . 2]" 1
144 1 15 LYS H 1 15 LYS HD3 . . 5.520 4.292 2.614 5.501 . 0 0 "[ . 1 . 2]" 1
145 1 15 LYS H 1 15 LYS HE2 . . 5.580 5.166 4.134 5.577 . 0 0 "[ . 1 . 2]" 1
146 1 15 LYS H 1 15 LYS HE3 . . 5.400 5.134 4.831 5.385 . 0 0 "[ . 1 . 2]" 1
147 1 15 LYS H 1 15 LYS HG2 . . 5.000 4.325 2.371 4.976 . 0 0 "[ . 1 . 2]" 1
148 1 15 LYS H 1 15 LYS HG3 . . 5.000 4.110 1.979 4.570 . 0 0 "[ . 1 . 2]" 1
149 1 15 LYS H 1 16 GLY H . . 5.000 4.033 2.207 4.652 . 0 0 "[ . 1 . 2]" 1
150 1 15 LYS HA 1 16 GLY H . . 5.000 2.532 2.203 3.493 . 0 0 "[ . 1 . 2]" 1
151 1 15 LYS HB3 1 16 GLY H . . 5.000 3.241 2.206 4.581 . 0 0 "[ . 1 . 2]" 1
152 1 15 LYS HD3 1 16 GLY H . . 5.470 4.877 1.948 5.460 . 0 0 "[ . 1 . 2]" 1
153 1 15 LYS HG3 1 16 GLY H . . 5.340 3.640 2.404 5.339 . 0 0 "[ . 1 . 2]" 1
154 1 16 GLY H 1 17 TYR H . . 5.000 4.419 3.834 4.611 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLY HA2 1 17 TYR H . . 5.000 2.974 2.600 3.254 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLY HA3 1 17 TYR H . . 5.000 2.256 2.136 2.526 . 0 0 "[ . 1 . 2]" 1
157 1 17 TYR H 1 17 TYR QD . . 5.000 3.894 2.223 4.409 . 0 0 "[ . 1 . 2]" 1
158 1 17 TYR HA 1 18 SER H . . 5.000 2.363 2.154 2.665 . 0 0 "[ . 1 . 2]" 1
159 1 17 TYR HB3 1 18 SER H . . 5.000 3.415 2.766 4.192 . 0 0 "[ . 1 . 2]" 1
160 1 17 TYR QD 1 18 SER H . . 5.000 2.875 1.974 4.082 . 0 0 "[ . 1 . 2]" 1
161 1 17 TYR QD 1 19 VAL H . . 5.000 4.729 3.866 5.006 0.006 16 0 "[ . 1 . 2]" 1
162 1 18 SER HA 1 19 VAL H . . 5.000 2.232 2.216 2.498 . 0 0 "[ . 1 . 2]" 1
163 1 18 SER HB2 1 19 VAL H . . 5.000 3.254 2.329 3.549 . 0 0 "[ . 1 . 2]" 1
164 1 18 SER HB3 1 19 VAL H . . 5.000 3.397 3.175 3.663 . 0 0 "[ . 1 . 2]" 1
165 1 19 VAL H 1 20 GLU HA . . 5.000 4.814 4.644 4.935 . 0 0 "[ . 1 . 2]" 1
166 1 19 VAL HA 1 20 GLU H . . 5.000 2.160 2.142 2.189 . 0 0 "[ . 1 . 2]" 1
167 1 19 VAL HB 1 21 LEU MD2 . . 5.000 3.790 2.700 4.834 . 0 0 "[ . 1 . 2]" 1
168 1 19 VAL MG1 1 21 LEU MD2 . . 5.000 2.154 1.805 2.958 . 0 0 "[ . 1 . 2]" 1
169 1 19 VAL MG1 1 34 ARG HB2 . . 5.760 3.474 1.943 5.764 0.004 12 0 "[ . 1 . 2]" 1
170 1 19 VAL MG1 1 34 ARG HB3 . . 5.630 2.968 1.907 5.137 . 0 0 "[ . 1 . 2]" 1
171 1 19 VAL MG2 1 34 ARG H . . 5.000 5.015 4.884 5.062 0.062 6 0 "[ . 1 . 2]" 1
172 1 19 VAL MG2 1 35 GLY H . . 5.000 4.811 4.189 5.058 0.058 14 0 "[ . 1 . 2]" 1
173 1 19 VAL MG2 1 36 ALA H . . 6.080 4.536 3.474 5.779 . 0 0 "[ . 1 . 2]" 1
174 1 20 GLU H 1 20 GLU HG2 . . 5.000 2.841 2.174 3.647 . 0 0 "[ . 1 . 2]" 1
175 1 20 GLU H 1 20 GLU HG3 . . 5.000 3.787 3.623 3.890 . 0 0 "[ . 1 . 2]" 1
176 1 20 GLU H 1 21 LEU H . . 5.000 4.524 4.465 4.598 . 0 0 "[ . 1 . 2]" 1
177 1 20 GLU H 1 21 LEU MD2 . . 5.000 3.715 3.365 4.426 . 0 0 "[ . 1 . 2]" 1
178 1 20 GLU HA 1 21 LEU H . . 5.000 2.220 2.164 2.257 . 0 0 "[ . 1 . 2]" 1
179 1 20 GLU HB2 1 21 LEU H . . 5.000 2.989 2.853 3.204 . 0 0 "[ . 1 . 2]" 1
180 1 20 GLU HB3 1 21 LEU H . . 5.000 4.115 4.005 4.289 . 0 0 "[ . 1 . 2]" 1
181 1 20 GLU HG2 1 21 LEU H . . 5.000 4.066 3.478 4.533 . 0 0 "[ . 1 . 2]" 1
182 1 21 LEU H 1 21 LEU MD1 . . 5.000 3.972 3.768 4.354 . 0 0 "[ . 1 . 2]" 1
183 1 21 LEU H 1 21 LEU MD2 . . 5.000 3.116 2.865 3.876 . 0 0 "[ . 1 . 2]" 1
184 1 21 LEU H 1 21 LEU HG . . 5.000 2.624 2.185 4.736 . 0 0 "[ . 1 . 2]" 1
185 1 21 LEU H 1 50 LEU MD1 . . 5.430 5.441 5.301 5.512 0.082 4 0 "[ . 1 . 2]" 1
186 1 21 LEU HA 1 22 PRO HD2 . . 5.000 2.104 1.911 2.416 . 0 0 "[ . 1 . 2]" 1
187 1 21 LEU HA 1 22 PRO HD3 . . 5.000 2.447 2.252 2.714 . 0 0 "[ . 1 . 2]" 1
188 1 21 LEU HA 1 22 PRO HG2 . . 5.000 4.267 4.114 4.525 . 0 0 "[ . 1 . 2]" 1
189 1 21 LEU MD1 1 26 TYR H . . 5.000 4.883 4.433 5.073 0.073 4 0 "[ . 1 . 2]" 1
190 1 21 LEU MD1 1 26 TYR QD . . 5.000 2.937 2.524 3.157 . 0 0 "[ . 1 . 2]" 1
191 1 21 LEU MD1 1 83 VAL H . . 6.180 5.868 5.334 6.249 0.069 15 0 "[ . 1 . 2]" 1
192 1 21 LEU MD2 1 26 TYR QD . . 5.000 4.283 3.144 4.844 . 0 0 "[ . 1 . 2]" 1
193 1 21 LEU MD2 1 31 LEU HA . . 5.000 4.990 4.486 5.083 0.083 19 0 "[ . 1 . 2]" 1
194 1 21 LEU MD2 1 34 ARG HD3 . . 5.760 2.877 1.880 4.901 . 0 0 "[ . 1 . 2]" 1
195 1 22 PRO HB3 1 23 VAL H . . 5.000 3.585 3.306 4.585 . 0 0 "[ . 1 . 2]" 1
196 1 23 VAL H 1 24 GLY H . . 5.000 4.442 3.526 4.637 . 0 0 "[ . 1 . 2]" 1
197 1 23 VAL H 1 85 VAL HB . . 5.590 5.442 3.629 5.929 0.339 17 0 "[ . 1 . 2]" 1
198 1 23 VAL H 1 86 SER HA . . 5.000 4.210 3.930 4.408 . 0 0 "[ . 1 . 2]" 1
199 1 23 VAL H 1 86 SER HB3 . . 6.180 6.293 6.227 6.381 0.201 16 0 "[ . 1 . 2]" 1
200 1 23 VAL HA 1 24 GLY H . . 5.000 2.185 2.144 2.258 . 0 0 "[ . 1 . 2]" 1
201 1 23 VAL HA 1 85 VAL H . . 5.000 4.452 4.074 4.667 . 0 0 "[ . 1 . 2]" 1
202 1 23 VAL HA 1 85 VAL HB . . 5.000 4.181 3.719 5.128 0.128 9 0 "[ . 1 . 2]" 1
203 1 23 VAL HA 1 86 SER H . . 5.000 4.213 3.821 4.379 . 0 0 "[ . 1 . 2]" 1
204 1 23 VAL HA 1 86 SER HA . . 5.000 2.408 2.084 2.666 . 0 0 "[ . 1 . 2]" 1
205 1 23 VAL HB 1 24 GLY H . . 5.000 4.140 3.842 4.460 . 0 0 "[ . 1 . 2]" 1
206 1 23 VAL HB 1 86 SER HA . . 5.000 2.969 2.189 4.494 . 0 0 "[ . 1 . 2]" 1
207 1 23 VAL MG2 1 24 GLY H . . 5.000 2.828 2.160 4.238 . 0 0 "[ . 1 . 2]" 1
208 1 23 VAL MG2 1 86 SER HA . . 5.000 2.324 1.967 2.840 . 0 0 "[ . 1 . 2]" 1
209 1 24 GLY H 1 25 ASP H . . 5.000 4.360 4.273 4.417 . 0 0 "[ . 1 . 2]" 1
210 1 24 GLY H 1 26 TYR QD . . 5.730 5.499 5.069 5.795 0.065 5 0 "[ . 1 . 2]" 1
211 1 24 GLY H 1 26 TYR QE . . 5.000 4.242 3.332 5.005 0.005 15 0 "[ . 1 . 2]" 1
212 1 24 GLY H 1 84 ARG HA . . 6.290 4.902 4.766 5.101 . 0 0 "[ . 1 . 2]" 1
213 1 24 GLY H 1 85 VAL H . . 5.000 3.059 2.856 3.402 . 0 0 "[ . 1 . 2]" 1
214 1 24 GLY H 1 85 VAL HA . . 5.000 4.725 4.548 5.000 0.000 5 0 "[ . 1 . 2]" 1
215 1 24 GLY H 1 85 VAL HB . . 5.000 4.646 4.149 4.932 . 0 0 "[ . 1 . 2]" 1
216 1 24 GLY H 1 86 SER HA . . 5.000 3.674 3.543 3.841 . 0 0 "[ . 1 . 2]" 1
217 1 24 GLY HA2 1 25 ASP H . . 5.000 2.511 2.342 2.788 . 0 0 "[ . 1 . 2]" 1
218 1 24 GLY HA3 1 25 ASP H . . 5.000 2.622 2.358 2.810 . 0 0 "[ . 1 . 2]" 1
219 1 25 ASP H 1 26 TYR H . . 5.000 4.435 4.203 4.539 . 0 0 "[ . 1 . 2]" 1
220 1 25 ASP H 1 26 TYR QD . . 5.000 4.498 3.830 4.903 . 0 0 "[ . 1 . 2]" 1
221 1 25 ASP H 1 26 TYR QE . . 5.480 4.917 4.471 5.560 0.080 7 0 "[ . 1 . 2]" 1
222 1 25 ASP H 1 84 ARG HA . . 5.000 4.930 4.746 5.044 0.044 17 0 "[ . 1 . 2]" 1
223 1 25 ASP H 1 85 VAL MG1 . . 6.150 5.962 4.257 6.297 0.147 10 0 "[ . 1 . 2]" 1
224 1 25 ASP HA 1 26 TYR H . . 5.000 2.204 2.143 2.256 . 0 0 "[ . 1 . 2]" 1
225 1 25 ASP HA 1 26 TYR QD . . 5.000 2.912 2.695 3.015 . 0 0 "[ . 1 . 2]" 1
226 1 25 ASP HA 1 84 ARG HA . . 5.000 2.280 1.964 2.405 . 0 0 "[ . 1 . 2]" 1
227 1 25 ASP HA 1 84 ARG HB2 . . 5.000 4.345 3.256 4.940 . 0 0 "[ . 1 . 2]" 1
228 1 25 ASP HA 1 84 ARG HG2 . . 5.000 3.986 3.150 5.084 0.084 10 0 "[ . 1 . 2]" 1
229 1 25 ASP HA 1 85 VAL H . . 5.000 3.301 3.088 3.505 . 0 0 "[ . 1 . 2]" 1
230 1 25 ASP HB2 1 26 TYR H . . 5.000 3.384 2.904 4.121 . 0 0 "[ . 1 . 2]" 1
231 1 25 ASP HB2 1 26 TYR QD . . 5.000 4.984 4.836 5.157 0.157 17 0 "[ . 1 . 2]" 1
232 1 25 ASP HB3 1 26 TYR H . . 5.000 3.755 3.424 4.136 . 0 0 "[ . 1 . 2]" 1
233 1 25 ASP HB3 1 26 TYR QD . . 5.000 5.108 5.033 5.147 0.147 6 0 "[ . 1 . 2]" 1
234 1 26 TYR H 1 26 TYR QD . . 5.000 2.338 2.238 2.446 . 0 0 "[ . 1 . 2]" 1
235 1 26 TYR H 1 26 TYR QE . . 5.000 4.206 3.785 4.478 . 0 0 "[ . 1 . 2]" 1
236 1 26 TYR H 1 27 ASN H . . 5.000 4.377 4.220 4.449 . 0 0 "[ . 1 . 2]" 1
237 1 26 TYR H 1 31 LEU MD2 . . 6.080 5.920 5.290 6.085 0.005 4 0 "[ . 1 . 2]" 1
238 1 26 TYR H 1 31 LEU HG . . 6.430 5.944 5.507 6.430 0.000 2 0 "[ . 1 . 2]" 1
239 1 26 TYR H 1 60 PHE QE . . 6.180 6.076 5.361 6.212 0.032 7 0 "[ . 1 . 2]" 1
240 1 26 TYR H 1 82 SER HB2 . . 5.630 5.569 5.223 5.663 0.033 20 0 "[ . 1 . 2]" 1
241 1 26 TYR H 1 83 VAL H . . 5.000 3.076 2.743 3.527 . 0 0 "[ . 1 . 2]" 1
242 1 26 TYR H 1 83 VAL MG2 . . 5.000 3.535 2.795 4.823 . 0 0 "[ . 1 . 2]" 1
243 1 26 TYR H 1 84 ARG HA . . 5.000 3.388 2.886 3.549 . 0 0 "[ . 1 . 2]" 1
244 1 26 TYR HA 1 27 ASN H . . 5.000 2.214 2.139 2.301 . 0 0 "[ . 1 . 2]" 1
245 1 26 TYR HA 1 30 SER HB2 . . 5.530 3.134 2.743 3.627 . 0 0 "[ . 1 . 2]" 1
246 1 26 TYR HA 1 30 SER HB3 . . 5.940 3.027 2.466 3.493 . 0 0 "[ . 1 . 2]" 1
247 1 26 TYR HB2 1 27 ASN H . . 5.000 3.618 2.874 4.148 . 0 0 "[ . 1 . 2]" 1
248 1 26 TYR HB2 1 31 LEU H . . 5.000 4.594 3.780 5.032 0.032 5 0 "[ . 1 . 2]" 1
249 1 26 TYR HB2 1 31 LEU MD2 . . 5.000 3.895 3.084 4.309 . 0 0 "[ . 1 . 2]" 1
250 1 26 TYR HB2 1 31 LEU HG . . 5.000 3.436 2.805 4.048 . 0 0 "[ . 1 . 2]" 1
251 1 26 TYR HB2 1 83 VAL H . . 5.000 3.875 3.284 4.824 . 0 0 "[ . 1 . 2]" 1
252 1 26 TYR HB2 1 83 VAL MG2 . . 5.000 3.184 2.206 5.058 0.058 14 0 "[ . 1 . 2]" 1
253 1 26 TYR HB3 1 27 ASN H . . 5.000 3.284 2.756 4.082 . 0 0 "[ . 1 . 2]" 1
254 1 26 TYR HB3 1 30 SER HB2 . . 5.000 3.078 1.989 4.179 . 0 0 "[ . 1 . 2]" 1
255 1 26 TYR HB3 1 31 LEU H . . 5.950 4.499 3.907 5.587 . 0 0 "[ . 1 . 2]" 1
256 1 26 TYR HB3 1 31 LEU MD2 . . 5.860 4.692 3.795 5.398 . 0 0 "[ . 1 . 2]" 1
257 1 26 TYR HB3 1 31 LEU HG . . 5.520 4.161 3.015 5.399 . 0 0 "[ . 1 . 2]" 1
258 1 26 TYR HB3 1 83 VAL H . . 5.830 5.095 4.707 5.632 . 0 0 "[ . 1 . 2]" 1
259 1 26 TYR QD 1 27 ASN H . . 5.000 4.497 4.324 4.734 . 0 0 "[ . 1 . 2]" 1
260 1 26 TYR QD 1 27 ASN HA . . 6.160 5.677 4.647 6.108 . 0 0 "[ . 1 . 2]" 1
261 1 26 TYR QD 1 30 SER HB2 . . 5.980 4.162 3.429 5.341 . 0 0 "[ . 1 . 2]" 1
262 1 26 TYR QD 1 30 SER HB3 . . 5.000 3.379 2.404 4.443 . 0 0 "[ . 1 . 2]" 1
263 1 26 TYR QD 1 83 VAL H . . 5.000 4.152 3.735 4.293 . 0 0 "[ . 1 . 2]" 1
264 1 26 TYR QD 1 84 ARG H . . 5.750 5.308 4.946 5.860 0.110 7 0 "[ . 1 . 2]" 1
265 1 26 TYR QD 1 85 VAL H . . 5.000 4.187 3.763 4.649 . 0 0 "[ . 1 . 2]" 1
266 1 26 TYR QE 1 83 VAL H . . 6.430 5.844 4.218 6.503 0.073 5 0 "[ . 1 . 2]" 1
267 1 26 TYR QE 1 84 ARG H . . 6.170 5.819 4.449 6.295 0.125 8 0 "[ . 1 . 2]" 1
268 1 26 TYR QE 1 85 VAL H . . 5.000 3.476 3.164 3.668 . 0 0 "[ . 1 . 2]" 1
269 1 27 ASN H 1 82 SER HB2 . . 5.000 4.757 4.443 4.898 . 0 0 "[ . 1 . 2]" 1
270 1 27 ASN HA 1 82 SER HA . . 5.000 2.335 1.985 2.927 . 0 0 "[ . 1 . 2]" 1
271 1 27 ASN HA 1 82 SER HB3 . . 5.000 3.639 3.550 3.725 . 0 0 "[ . 1 . 2]" 1
272 1 27 ASN HB2 1 28 LEU H . . 5.000 2.921 2.031 3.748 . 0 0 "[ . 1 . 2]" 1
273 1 27 ASN HB2 1 29 SER H . . 5.000 3.266 2.851 4.791 . 0 0 "[ . 1 . 2]" 1
274 1 27 ASN HB2 1 30 SER H . . 5.000 3.092 2.635 4.083 . 0 0 "[ . 1 . 2]" 1
275 1 27 ASN HB3 1 28 LEU H . . 5.000 2.164 1.953 3.441 . 0 0 "[ . 1 . 2]" 1
276 1 27 ASN HB3 1 29 SER H . . 5.000 3.593 2.600 4.630 . 0 0 "[ . 1 . 2]" 1
277 1 28 LEU H 1 28 LEU MD1 . . 5.000 4.308 4.260 4.341 . 0 0 "[ . 1 . 2]" 1
278 1 28 LEU H 1 28 LEU MD2 . . 5.000 3.872 3.717 3.948 . 0 0 "[ . 1 . 2]" 1
279 1 28 LEU H 1 28 LEU HG . . 5.000 4.468 4.429 4.488 . 0 0 "[ . 1 . 2]" 1
280 1 28 LEU H 1 29 SER H . . 5.000 2.849 2.698 3.063 . 0 0 "[ . 1 . 2]" 1
281 1 28 LEU H 1 31 LEU MD1 . . 5.000 3.955 3.386 4.307 . 0 0 "[ . 1 . 2]" 1
282 1 28 LEU HA 1 29 SER H . . 5.000 3.558 3.541 3.570 . 0 0 "[ . 1 . 2]" 1
283 1 28 LEU HA 1 31 LEU H . . 5.000 3.563 3.405 3.761 . 0 0 "[ . 1 . 2]" 1
284 1 28 LEU HA 1 31 LEU HB2 . . 5.000 2.968 2.655 3.337 . 0 0 "[ . 1 . 2]" 1
285 1 28 LEU HA 1 31 LEU HB3 . . 5.000 4.498 4.143 4.978 . 0 0 "[ . 1 . 2]" 1
286 1 28 LEU HA 1 31 LEU MD1 . . 5.000 2.049 1.896 2.483 . 0 0 "[ . 1 . 2]" 1
287 1 28 LEU HB2 1 29 SER H . . 5.000 3.899 3.719 3.996 . 0 0 "[ . 1 . 2]" 1
288 1 28 LEU HB3 1 29 SER H . . 5.000 2.511 2.263 2.658 . 0 0 "[ . 1 . 2]" 1
289 1 28 LEU MD1 1 81 SER HA . . 5.000 3.164 2.739 3.841 . 0 0 "[ . 1 . 2]" 1
290 1 28 LEU MD2 1 31 LEU H . . 6.080 4.915 4.631 5.280 . 0 0 "[ . 1 . 2]" 1
291 1 28 LEU MD2 1 33 SER H . . 6.280 6.283 5.916 6.360 0.080 14 0 "[ . 1 . 2]" 1
292 1 28 LEU HG 1 29 SER H . . 5.000 3.858 3.444 4.066 . 0 0 "[ . 1 . 2]" 1
293 1 28 LEU HG 1 31 LEU H . . 5.000 5.040 4.999 5.092 0.092 19 0 "[ . 1 . 2]" 1
294 1 28 LEU HG 1 32 ILE H . . 5.000 4.902 4.536 5.023 0.023 8 0 "[ . 1 . 2]" 1
295 1 29 SER H 1 30 SER H . . 5.000 2.630 2.516 2.752 . 0 0 "[ . 1 . 2]" 1
296 1 29 SER H 1 31 LEU MD1 . . 5.000 4.915 4.604 5.026 0.026 14 0 "[ . 1 . 2]" 1
297 1 29 SER H 1 32 ILE MD . . 5.000 4.518 3.939 5.060 0.060 20 0 "[ . 1 . 2]" 1
298 1 29 SER H 1 82 SER HB2 . . 6.090 6.106 5.844 6.154 0.064 14 0 "[ . 1 . 2]" 1
299 1 29 SER HA 1 30 SER H . . 5.000 3.508 3.465 3.551 . 0 0 "[ . 1 . 2]" 1
300 1 29 SER HA 1 32 ILE H . . 5.000 3.577 3.117 3.885 . 0 0 "[ . 1 . 2]" 1
301 1 29 SER HA 1 32 ILE HB . . 5.000 3.546 2.942 3.731 . 0 0 "[ . 1 . 2]" 1
302 1 29 SER HA 1 32 ILE MG . . 5.000 4.730 4.020 5.027 0.027 8 0 "[ . 1 . 2]" 1
303 1 29 SER HB2 1 30 SER H . . 5.000 3.299 2.623 4.148 . 0 0 "[ . 1 . 2]" 1
304 1 30 SER H 1 31 LEU H . . 5.000 2.570 2.429 2.783 . 0 0 "[ . 1 . 2]" 1
305 1 30 SER H 1 31 LEU HB2 . . 5.980 4.545 4.285 4.773 . 0 0 "[ . 1 . 2]" 1
306 1 30 SER H 1 32 ILE MD . . 5.870 4.888 4.277 5.647 . 0 0 "[ . 1 . 2]" 1
307 1 30 SER HA 1 31 LEU H . . 5.000 3.489 3.477 3.524 . 0 0 "[ . 1 . 2]" 1
308 1 31 LEU H 1 31 LEU MD1 . . 5.000 3.311 2.786 3.506 . 0 0 "[ . 1 . 2]" 1
309 1 31 LEU H 1 31 LEU MD2 . . 5.000 4.037 3.708 4.379 . 0 0 "[ . 1 . 2]" 1
310 1 31 LEU H 1 31 LEU HG . . 5.000 2.853 2.447 3.467 . 0 0 "[ . 1 . 2]" 1
311 1 31 LEU H 1 32 ILE H . . 5.000 2.689 2.482 2.901 . 0 0 "[ . 1 . 2]" 1
312 1 31 LEU HA 1 32 ILE H . . 5.000 3.539 3.497 3.565 . 0 0 "[ . 1 . 2]" 1
313 1 31 LEU HA 1 34 ARG H . . 5.000 3.773 3.375 4.027 . 0 0 "[ . 1 . 2]" 1
314 1 31 LEU HA 1 34 ARG HD2 . . 5.510 4.770 2.944 5.516 0.006 20 0 "[ . 1 . 2]" 1
315 1 31 LEU HA 1 34 ARG HD3 . . 5.670 4.957 3.723 5.673 0.003 1 0 "[ . 1 . 2]" 1
316 1 31 LEU HB2 1 32 ILE H . . 5.000 2.677 2.396 3.040 . 0 0 "[ . 1 . 2]" 1
317 1 31 LEU HB2 1 33 SER H . . 5.510 4.922 4.656 5.442 . 0 0 "[ . 1 . 2]" 1
318 1 31 LEU HB3 1 32 ILE H . . 5.000 3.298 2.926 3.736 . 0 0 "[ . 1 . 2]" 1
319 1 31 LEU HB3 1 33 SER H . . 6.280 5.219 4.966 5.562 . 0 0 "[ . 1 . 2]" 1
320 1 31 LEU MD1 1 82 SER H . . 5.000 4.336 3.534 5.011 0.011 17 0 "[ . 1 . 2]" 1
321 1 31 LEU MD1 1 82 SER HA . . 5.000 3.031 2.335 3.658 . 0 0 "[ . 1 . 2]" 1
322 1 31 LEU MD1 1 83 VAL H . . 5.000 4.140 2.959 4.916 . 0 0 "[ . 1 . 2]" 1
323 1 31 LEU MD2 1 32 ILE H . . 5.000 4.698 4.450 4.962 . 0 0 "[ . 1 . 2]" 1
324 1 32 ILE H 1 32 ILE MD . . 5.000 2.293 1.889 2.768 . 0 0 "[ . 1 . 2]" 1
325 1 32 ILE H 1 32 ILE QG . . 5.000 2.468 1.913 3.057 . 0 0 "[ . 1 . 2]" 1
326 1 32 ILE H 1 33 SER H . . 5.000 2.607 2.413 2.773 . 0 0 "[ . 1 . 2]" 1
327 1 32 ILE HB 1 33 SER H . . 5.000 2.825 2.489 2.963 . 0 0 "[ . 1 . 2]" 1
328 1 32 ILE MD 1 34 ARG H . . 5.660 5.527 5.227 5.666 0.006 16 0 "[ . 1 . 2]" 1
329 1 32 ILE MD 1 35 GLY H . . 5.940 5.513 4.573 5.954 0.014 8 0 "[ . 1 . 2]" 1
330 1 32 ILE MD 1 36 ALA H . . 5.000 4.791 3.413 5.008 0.008 2 0 "[ . 1 . 2]" 1
331 1 32 ILE MD 1 39 ASP H . . 6.480 5.641 4.628 6.498 0.018 19 0 "[ . 1 . 2]" 1
332 1 32 ILE QG 1 33 SER H . . 5.000 4.203 3.712 4.516 . 0 0 "[ . 1 . 2]" 1
333 1 33 SER H 1 34 ARG H . . 5.000 2.713 2.525 2.842 . 0 0 "[ . 1 . 2]" 1
334 1 33 SER HB2 1 34 ARG H . . 5.000 3.465 2.461 4.247 . 0 0 "[ . 1 . 2]" 1
335 1 34 ARG H 1 34 ARG HD2 . . 5.000 3.957 2.747 4.997 . 0 0 "[ . 1 . 2]" 1
336 1 34 ARG H 1 34 ARG HD3 . . 5.000 4.592 3.991 5.003 0.003 10 0 "[ . 1 . 2]" 1
337 1 34 ARG H 1 34 ARG HG2 . . 5.350 3.789 1.946 4.733 . 0 0 "[ . 1 . 2]" 1
338 1 34 ARG H 1 34 ARG HG3 . . 5.000 3.359 2.594 4.498 . 0 0 "[ . 1 . 2]" 1
339 1 34 ARG H 1 35 GLY H . . 5.000 2.399 1.992 2.650 . 0 0 "[ . 1 . 2]" 1
340 1 34 ARG H 1 36 ALA MB . . 5.000 4.354 3.750 5.018 0.018 18 0 "[ . 1 . 2]" 1
341 1 34 ARG HB2 1 35 GLY H . . 5.000 3.630 3.098 4.108 . 0 0 "[ . 1 . 2]" 1
342 1 34 ARG HB3 1 35 GLY H . . 5.000 3.992 3.170 4.528 . 0 0 "[ . 1 . 2]" 1
343 1 34 ARG HB3 1 36 ALA H . . 6.120 4.572 3.138 5.716 . 0 0 "[ . 1 . 2]" 1
344 1 34 ARG HG2 1 35 GLY H . . 5.820 5.081 3.646 5.826 0.006 12 0 "[ . 1 . 2]" 1
345 1 34 ARG HG3 1 35 GLY H . . 5.000 4.736 2.311 5.064 0.064 20 0 "[ . 1 . 2]" 1
346 1 35 GLY H 1 36 ALA MB . . 5.000 4.056 3.718 4.413 . 0 0 "[ . 1 . 2]" 1
347 1 35 GLY HA2 1 36 ALA H . . 5.000 2.936 2.693 3.395 . 0 0 "[ . 1 . 2]" 1
348 1 35 GLY HA3 1 36 ALA H . . 5.000 3.467 3.135 3.563 . 0 0 "[ . 1 . 2]" 1
349 1 36 ALA H 1 37 LEU H . . 5.000 4.322 4.033 4.582 . 0 0 "[ . 1 . 2]" 1
350 1 36 ALA HA 1 37 LEU H . . 5.000 2.276 2.141 2.562 . 0 0 "[ . 1 . 2]" 1
351 1 36 ALA MB 1 37 LEU H . . 5.000 2.872 2.072 3.269 . 0 0 "[ . 1 . 2]" 1
352 1 37 LEU H 1 37 LEU MD1 . . 5.000 3.896 2.057 4.455 . 0 0 "[ . 1 . 2]" 1
353 1 37 LEU H 1 37 LEU MD2 . . 5.000 3.471 2.126 4.178 . 0 0 "[ . 1 . 2]" 1
354 1 37 LEU H 1 38 ASN H . . 5.000 4.254 1.872 4.625 . 0 0 "[ . 1 . 2]" 1
355 1 37 LEU HA 1 38 ASN H . . 5.000 2.386 2.141 3.445 . 0 0 "[ . 1 . 2]" 1
356 1 37 LEU HB2 1 38 ASN H . . 5.000 3.797 2.011 4.428 . 0 0 "[ . 1 . 2]" 1
357 1 37 LEU HB2 1 40 ASP HB2 . . 5.800 4.017 2.825 5.050 . 0 0 "[ . 1 . 2]" 1
358 1 37 LEU HB3 1 40 ASP HB2 . . 5.000 3.495 2.573 5.035 0.035 15 0 "[ . 1 . 2]" 1
359 1 37 LEU MD1 1 38 ASN H . . 5.000 2.544 1.862 4.203 . 0 0 "[ . 1 . 2]" 1
360 1 37 LEU MD1 1 40 ASP H . . 5.000 4.470 2.948 5.029 0.029 3 0 "[ . 1 . 2]" 1
361 1 37 LEU MD1 1 80 ALA H . . 6.420 6.031 5.249 6.506 0.086 14 0 "[ . 1 . 2]" 1
362 1 38 ASN H 1 40 ASP HB3 . . 5.380 5.143 3.735 5.431 0.051 15 0 "[ . 1 . 2]" 1
363 1 38 ASN HA 1 39 ASP H . . 5.000 3.113 2.150 3.569 . 0 0 "[ . 1 . 2]" 1
364 1 38 ASN HA 1 40 ASP H . . 5.000 4.809 3.636 5.016 0.016 7 0 "[ . 1 . 2]" 1
365 1 38 ASN HA 1 80 ALA H . . 5.000 4.104 2.968 4.961 . 0 0 "[ . 1 . 2]" 1
366 1 38 ASN HB3 1 39 ASP H . . 5.000 3.726 1.947 4.555 . 0 0 "[ . 1 . 2]" 1
367 1 39 ASP H 1 40 ASP H . . 5.000 3.627 2.628 4.145 . 0 0 "[ . 1 . 2]" 1
368 1 39 ASP H 1 40 ASP HB3 . . 5.670 4.582 3.454 5.674 0.004 12 0 "[ . 1 . 2]" 1
369 1 39 ASP HA 1 40 ASP H . . 5.000 2.330 2.217 2.865 . 0 0 "[ . 1 . 2]" 1
370 1 39 ASP HA 1 41 LEU H . . 5.000 4.048 3.907 4.382 . 0 0 "[ . 1 . 2]" 1
371 1 39 ASP HA 1 79 ASP HA . . 5.000 2.896 1.991 4.089 . 0 0 "[ . 1 . 2]" 1
372 1 39 ASP HA 1 80 ALA H . . 5.000 2.776 1.888 4.143 . 0 0 "[ . 1 . 2]" 1
373 1 39 ASP HB2 1 40 ASP H . . 5.000 4.167 3.942 4.413 . 0 0 "[ . 1 . 2]" 1
374 1 39 ASP HB2 1 79 ASP HA . . 5.000 3.790 3.122 5.173 0.173 19 0 "[ . 1 . 2]" 1
375 1 39 ASP HB3 1 79 ASP HA . . 5.000 2.525 1.968 5.156 0.156 19 0 "[ . 1 . 2]" 1
376 1 40 ASP H 1 41 LEU H . . 5.000 1.872 1.791 1.980 . 0 0 "[ . 1 . 2]" 1
377 1 40 ASP H 1 41 LEU HB2 . . 5.000 3.469 3.378 3.707 . 0 0 "[ . 1 . 2]" 1
378 1 40 ASP H 1 74 LEU HB2 . . 6.080 6.115 5.822 6.264 0.184 20 0 "[ . 1 . 2]" 1
379 1 40 ASP HA 1 41 LEU H . . 5.000 3.510 3.476 3.532 . 0 0 "[ . 1 . 2]" 1
380 1 40 ASP HA 1 78 ASN H . . 5.970 5.231 4.176 6.014 0.044 19 0 "[ . 1 . 2]" 1
381 1 40 ASP HA 1 78 ASN HA . . 5.000 3.973 2.955 4.976 . 0 0 "[ . 1 . 2]" 1
382 1 40 ASP HA 1 78 ASN HB2 . . 5.000 3.995 2.521 5.012 0.012 4 0 "[ . 1 . 2]" 1
383 1 40 ASP HA 1 79 ASP H . . 6.060 5.771 5.174 6.118 0.058 15 0 "[ . 1 . 2]" 1
384 1 41 LEU H 1 41 LEU MD1 . . 5.000 2.901 1.927 4.138 . 0 0 "[ . 1 . 2]" 1
385 1 41 LEU H 1 41 LEU MD2 . . 5.000 3.277 1.926 4.409 . 0 0 "[ . 1 . 2]" 1
386 1 41 LEU H 1 74 LEU MD1 . . 5.000 4.521 3.115 5.082 0.082 19 0 "[ . 1 . 2]" 1
387 1 41 LEU HA 1 42 SER H . . 5.000 2.205 2.139 2.509 . 0 0 "[ . 1 . 2]" 1
388 1 41 LEU HA 1 43 SER H . . 5.000 3.736 3.384 4.733 . 0 0 "[ . 1 . 2]" 1
389 1 41 LEU HB2 1 42 SER H . . 5.000 4.302 3.661 4.510 . 0 0 "[ . 1 . 2]" 1
390 1 41 LEU HB2 1 43 SER H . . 5.400 5.106 4.668 5.437 0.037 20 0 "[ . 1 . 2]" 1
391 1 41 LEU HB2 1 80 ALA H . . 5.900 5.618 4.427 5.936 0.036 20 0 "[ . 1 . 2]" 1
392 1 41 LEU HB3 1 42 SER H . . 5.000 3.273 2.213 3.896 . 0 0 "[ . 1 . 2]" 1
393 1 41 LEU MD1 1 42 SER H . . 5.000 3.518 2.356 4.846 . 0 0 "[ . 1 . 2]" 1
394 1 41 LEU MD2 1 42 SER H . . 5.000 4.485 3.270 5.009 0.009 2 0 "[ . 1 . 2]" 1
395 1 41 LEU MD2 1 43 SER H . . 5.910 4.736 2.619 5.730 . 0 0 "[ . 1 . 2]" 1
396 1 41 LEU HG 1 42 SER H . . 5.000 4.003 2.319 5.028 0.028 18 0 "[ . 1 . 2]" 1
397 1 41 LEU HG 1 43 SER H . . 5.580 4.285 2.897 5.580 . 0 0 "[ . 1 . 2]" 1
398 1 42 SER H 1 43 SER H . . 5.000 1.975 1.847 2.536 . 0 0 "[ . 1 . 2]" 1
399 1 42 SER H 1 74 LEU MD1 . . 6.000 5.205 3.642 6.020 0.020 13 0 "[ . 1 . 2]" 1
400 1 42 SER HA 1 43 SER H . . 5.000 3.355 3.202 3.569 . 0 0 "[ . 1 . 2]" 1
401 1 42 SER HA 1 74 LEU H . . 5.000 2.897 2.161 4.100 . 0 0 "[ . 1 . 2]" 1
402 1 42 SER HA 1 74 LEU HB2 . . 5.000 3.052 2.128 4.549 . 0 0 "[ . 1 . 2]" 1
403 1 42 SER HA 1 74 LEU MD1 . . 5.550 4.581 3.685 5.569 0.019 13 0 "[ . 1 . 2]" 1
404 1 42 SER HA 1 74 LEU MD2 . . 5.000 3.840 2.139 5.087 0.087 14 0 "[ . 1 . 2]" 1
405 1 42 SER HA 1 74 LEU HG . . 5.000 3.912 3.552 4.516 . 0 0 "[ . 1 . 2]" 1
406 1 43 SER H 1 74 LEU HB3 . . 6.500 6.205 5.105 6.600 0.100 20 0 "[ . 1 . 2]" 1
407 1 43 SER H 1 74 LEU MD1 . . 6.030 5.158 4.103 6.057 0.027 17 0 "[ . 1 . 2]" 1
408 1 43 SER H 1 74 LEU MD2 . . 5.000 3.606 2.531 5.028 0.028 8 0 "[ . 1 . 2]" 1
409 1 43 SER H 1 74 LEU HG . . 6.480 4.563 3.517 5.384 . 0 0 "[ . 1 . 2]" 1
410 1 43 SER HA 1 44 ALA H . . 5.000 2.436 2.174 2.881 . 0 0 "[ . 1 . 2]" 1
411 1 43 SER HA 1 72 ALA HA . . 6.450 3.524 2.332 5.680 . 0 0 "[ . 1 . 2]" 1
412 1 43 SER HB3 1 72 ALA HA . . 5.000 3.949 2.569 5.021 0.021 3 0 "[ . 1 . 2]" 1
413 1 44 ALA H 1 71 ALA H . . 5.000 3.801 3.154 4.545 . 0 0 "[ . 1 . 2]" 1
414 1 44 ALA H 1 72 ALA HA . . 5.000 3.664 2.696 4.315 . 0 0 "[ . 1 . 2]" 1
415 1 44 ALA H 1 74 LEU MD2 . . 5.950 4.556 3.126 5.968 0.018 3 0 "[ . 1 . 2]" 1
416 1 44 ALA HA 1 45 ARG H . . 5.000 2.167 2.142 2.277 . 0 0 "[ . 1 . 2]" 1
417 1 45 ARG H 1 45 ARG HD2 . . 5.000 4.825 4.238 5.009 0.009 18 0 "[ . 1 . 2]" 1
418 1 45 ARG H 1 45 ARG HD3 . . 5.000 4.853 4.306 5.010 0.010 14 0 "[ . 1 . 2]" 1
419 1 45 ARG H 1 45 ARG HG2 . . 5.000 4.489 4.143 4.674 . 0 0 "[ . 1 . 2]" 1
420 1 45 ARG H 1 45 ARG HG3 . . 5.000 4.507 3.507 4.897 . 0 0 "[ . 1 . 2]" 1
421 1 45 ARG HA 1 46 VAL H . . 5.000 2.179 2.140 2.267 . 0 0 "[ . 1 . 2]" 1
422 1 45 ARG HA 1 70 ASP HA . . 5.000 2.494 1.997 3.066 . 0 0 "[ . 1 . 2]" 1
423 1 45 ARG HA 1 71 ALA H . . 5.000 3.163 2.126 4.001 . 0 0 "[ . 1 . 2]" 1
424 1 45 ARG HB3 1 46 VAL H . . 5.000 4.007 3.428 4.383 . 0 0 "[ . 1 . 2]" 1
425 1 45 ARG HG2 1 70 ASP H . . 5.860 5.059 3.987 5.867 0.007 10 0 "[ . 1 . 2]" 1
426 1 45 ARG HG3 1 46 VAL H . . 5.000 4.300 3.725 4.990 . 0 0 "[ . 1 . 2]" 1
427 1 46 VAL H 1 69 SER HA . . 5.000 4.421 3.762 5.007 0.007 15 0 "[ . 1 . 2]" 1
428 1 46 VAL H 1 70 ASP H . . 5.000 4.070 3.619 4.711 . 0 0 "[ . 1 . 2]" 1
429 1 46 VAL H 1 70 ASP HB3 . . 5.000 4.289 3.432 5.004 0.004 4 0 "[ . 1 . 2]" 1
430 1 46 VAL H 1 71 ALA H . . 5.000 3.781 2.777 4.631 . 0 0 "[ . 1 . 2]" 1
431 1 46 VAL HA 1 47 PRO HD2 . . 5.000 2.155 1.970 2.370 . 0 0 "[ . 1 . 2]" 1
432 1 46 VAL HA 1 47 PRO HD3 . . 5.000 2.433 2.253 2.738 . 0 0 "[ . 1 . 2]" 1
433 1 46 VAL HB 1 68 THR HA . . 5.000 4.912 4.378 5.020 0.020 13 0 "[ . 1 . 2]" 1
434 1 46 VAL HB 1 69 SER H . . 5.550 5.112 4.764 5.552 0.002 18 0 "[ . 1 . 2]" 1
435 1 46 VAL HB 1 69 SER HA . . 5.450 5.386 4.976 5.524 0.074 19 0 "[ . 1 . 2]" 1
436 1 46 VAL MG1 1 67 TYR HB3 . . 5.000 3.421 2.555 4.316 . 0 0 "[ . 1 . 2]" 1
437 1 46 VAL MG1 1 68 THR HA . . 5.000 3.634 2.827 4.416 . 0 0 "[ . 1 . 2]" 1
438 1 46 VAL MG1 1 69 SER HA . . 5.000 3.854 2.398 4.956 . 0 0 "[ . 1 . 2]" 1
439 1 46 VAL MG2 1 47 PRO HD2 . . 5.000 3.325 1.962 3.910 . 0 0 "[ . 1 . 2]" 1
440 1 46 VAL MG2 1 48 SER H . . 5.700 5.281 4.890 5.524 . 0 0 "[ . 1 . 2]" 1
441 1 46 VAL MG2 1 49 GLY H . . 5.800 4.826 4.406 5.689 . 0 0 "[ . 1 . 2]" 1
442 1 46 VAL MG2 1 68 THR H . . 5.000 4.442 3.860 5.009 0.009 20 0 "[ . 1 . 2]" 1
443 1 46 VAL MG2 1 69 SER H . . 5.000 2.963 2.247 4.104 . 0 0 "[ . 1 . 2]" 1
444 1 46 VAL MG2 1 70 ASP H . . 5.000 4.273 3.117 5.065 0.065 20 0 "[ . 1 . 2]" 1
445 1 46 VAL MG2 1 71 ALA H . . 6.000 4.888 3.564 5.941 . 0 0 "[ . 1 . 2]" 1
446 1 48 SER HA 1 49 GLY H . . 5.000 2.177 2.142 2.364 . 0 0 "[ . 1 . 2]" 1
447 1 48 SER HA 1 50 LEU H . . 5.000 3.732 3.336 3.896 . 0 0 "[ . 1 . 2]" 1
448 1 48 SER HB3 1 49 GLY H . . 5.000 3.447 2.700 3.754 . 0 0 "[ . 1 . 2]" 1
449 1 48 SER HB3 1 50 LEU H . . 5.760 5.500 5.035 5.755 . 0 0 "[ . 1 . 2]" 1
450 1 49 GLY H 1 50 LEU H . . 5.000 2.212 2.004 2.559 . 0 0 "[ . 1 . 2]" 1
451 1 49 GLY H 1 88 MET HB3 . . 5.000 4.802 3.564 5.064 0.064 12 0 "[ . 1 . 2]" 1
452 1 49 GLY H 1 89 GLU HB2 . . 5.000 4.878 3.914 5.020 0.020 12 0 "[ . 1 . 2]" 1
453 1 49 GLY H 1 89 GLU HG3 . . 5.000 4.806 3.163 5.006 0.006 9 0 "[ . 1 . 2]" 1
454 1 49 GLY HA2 1 50 LEU H . . 5.000 2.917 2.857 3.274 . 0 0 "[ . 1 . 2]" 1
455 1 49 GLY HA3 1 50 LEU H . . 5.000 3.501 3.281 3.528 . 0 0 "[ . 1 . 2]" 1
456 1 49 GLY HA3 1 88 MET H . . 5.870 4.515 4.180 5.133 . 0 0 "[ . 1 . 2]" 1
457 1 50 LEU H 1 50 LEU MD1 . . 5.000 4.658 4.382 4.912 . 0 0 "[ . 1 . 2]" 1
458 1 50 LEU H 1 50 LEU MD2 . . 5.000 4.232 3.243 4.470 . 0 0 "[ . 1 . 2]" 1
459 1 50 LEU H 1 50 LEU HG . . 5.000 4.667 4.483 4.790 . 0 0 "[ . 1 . 2]" 1
460 1 50 LEU HA 1 51 ARG H . . 5.000 2.173 2.170 2.194 . 0 0 "[ . 1 . 2]" 1
461 1 50 LEU HA 1 87 LYS HA . . 5.000 2.068 1.985 2.282 . 0 0 "[ . 1 . 2]" 1
462 1 50 LEU HA 1 88 MET H . . 5.000 1.983 1.931 2.281 . 0 0 "[ . 1 . 2]" 1
463 1 50 LEU HB3 1 51 ARG H . . 5.000 3.840 3.366 4.188 . 0 0 "[ . 1 . 2]" 1
464 1 50 LEU MD1 1 51 ARG H . . 5.000 4.376 2.677 4.659 . 0 0 "[ . 1 . 2]" 1
465 1 50 LEU MD1 1 86 SER H . . 5.000 4.407 2.951 5.031 0.031 10 0 "[ . 1 . 2]" 1
466 1 50 LEU MD1 1 88 MET H . . 5.500 4.945 4.059 5.487 . 0 0 "[ . 1 . 2]" 1
467 1 50 LEU MD2 1 51 ARG H . . 5.000 2.551 2.068 3.721 . 0 0 "[ . 1 . 2]" 1
468 1 50 LEU MD2 1 86 SER H . . 5.000 2.583 1.984 5.023 0.023 1 0 "[ . 1 . 2]" 1
469 1 50 LEU MD2 1 87 LYS HA . . 5.000 3.475 1.959 4.728 . 0 0 "[ . 1 . 2]" 1
470 1 50 LEU HG 1 51 ARG H . . 5.000 3.225 2.562 4.997 . 0 0 "[ . 1 . 2]" 1
471 1 51 ARG H 1 51 ARG HD2 . . 5.380 5.054 4.201 5.399 0.019 9 0 "[ . 1 . 2]" 1
472 1 51 ARG H 1 51 ARG HD3 . . 5.420 5.186 4.842 5.432 0.012 9 0 "[ . 1 . 2]" 1
473 1 51 ARG H 1 51 ARG HG2 . . 5.000 4.541 4.264 4.820 . 0 0 "[ . 1 . 2]" 1
474 1 51 ARG H 1 51 ARG HG3 . . 5.000 4.590 3.356 4.922 . 0 0 "[ . 1 . 2]" 1
475 1 51 ARG H 1 86 SER H . . 5.000 3.448 3.142 3.613 . 0 0 "[ . 1 . 2]" 1
476 1 51 ARG H 1 86 SER HB3 . . 5.000 5.059 5.031 5.105 0.105 17 0 "[ . 1 . 2]" 1
477 1 51 ARG H 1 88 MET HG2 . . 6.010 5.472 4.272 6.009 . 0 0 "[ . 1 . 2]" 1
478 1 51 ARG H 1 88 MET HG3 . . 6.340 5.196 4.052 6.226 . 0 0 "[ . 1 . 2]" 1
479 1 51 ARG HA 1 52 LEU H . . 5.000 2.209 2.150 2.304 . 0 0 "[ . 1 . 2]" 1
480 1 51 ARG HA 1 86 SER H . . 5.560 4.966 4.798 5.087 . 0 0 "[ . 1 . 2]" 1
481 1 51 ARG HB2 1 52 LEU H . . 5.000 4.160 3.949 4.307 . 0 0 "[ . 1 . 2]" 1
482 1 51 ARG HB2 1 86 SER H . . 5.840 5.511 4.117 5.847 0.007 5 0 "[ . 1 . 2]" 1
483 1 51 ARG HB3 1 52 LEU H . . 5.000 3.864 2.750 4.240 . 0 0 "[ . 1 . 2]" 1
484 1 51 ARG HB3 1 86 SER H . . 5.000 4.386 4.190 4.593 . 0 0 "[ . 1 . 2]" 1
485 1 51 ARG HG3 1 68 THR H . . 6.420 5.929 5.014 6.427 0.007 9 0 "[ . 1 . 2]" 1
486 1 52 LEU H 1 52 LEU MD1 . . 5.000 3.450 2.228 4.092 . 0 0 "[ . 1 . 2]" 1
487 1 52 LEU H 1 52 LEU MD2 . . 5.000 3.502 2.533 4.651 . 0 0 "[ . 1 . 2]" 1
488 1 52 LEU H 1 52 LEU HG . . 5.000 2.561 1.948 3.827 . 0 0 "[ . 1 . 2]" 1
489 1 52 LEU H 1 66 PHE HA . . 5.830 4.666 4.268 5.391 . 0 0 "[ . 1 . 2]" 1
490 1 52 LEU H 1 67 TYR H . . 5.000 3.245 2.666 3.772 . 0 0 "[ . 1 . 2]" 1
491 1 52 LEU H 1 67 TYR HB2 . . 5.000 4.749 3.939 5.010 0.010 3 0 "[ . 1 . 2]" 1
492 1 52 LEU H 1 67 TYR HB3 . . 5.000 4.728 4.203 5.009 0.009 3 0 "[ . 1 . 2]" 1
493 1 52 LEU H 1 68 THR MG . . 6.220 4.380 2.539 5.620 . 0 0 "[ . 1 . 2]" 1
494 1 52 LEU HA 1 85 VAL HA . . 5.000 2.395 1.997 2.608 . 0 0 "[ . 1 . 2]" 1
495 1 52 LEU HA 1 86 SER H . . 5.000 3.336 3.012 3.481 . 0 0 "[ . 1 . 2]" 1
496 1 52 LEU HB2 1 67 TYR H . . 5.000 4.469 3.336 5.005 0.005 11 0 "[ . 1 . 2]" 1
497 1 52 LEU HB2 1 67 TYR HB2 . . 5.000 4.619 3.247 5.031 0.031 10 0 "[ . 1 . 2]" 1
498 1 52 LEU HB2 1 67 TYR HB3 . . 5.490 5.128 3.742 5.506 0.016 19 0 "[ . 1 . 2]" 1
499 1 52 LEU HB3 1 53 GLU H . . 5.000 3.583 2.597 4.090 . 0 0 "[ . 1 . 2]" 1
500 1 52 LEU HB3 1 67 TYR H . . 6.000 5.220 4.511 5.625 . 0 0 "[ . 1 . 2]" 1
501 1 52 LEU HB3 1 67 TYR HB3 . . 6.000 5.613 5.114 6.004 0.004 5 0 "[ . 1 . 2]" 1
502 1 52 LEU HB3 1 86 SER H . . 5.000 3.810 3.085 5.017 0.017 4 0 "[ . 1 . 2]" 1
503 1 52 LEU MD1 1 67 TYR H . . 5.000 3.208 1.984 4.265 . 0 0 "[ . 1 . 2]" 1
504 1 52 LEU MD1 1 67 TYR HB2 . . 5.000 2.585 1.905 4.102 . 0 0 "[ . 1 . 2]" 1
505 1 52 LEU MD1 1 67 TYR HB3 . . 5.000 2.841 2.192 3.626 . 0 0 "[ . 1 . 2]" 1
506 1 52 LEU MD2 1 53 GLU H . . 5.000 4.734 3.988 5.014 0.014 13 0 "[ . 1 . 2]" 1
507 1 52 LEU MD2 1 84 ARG H . . 6.280 5.898 4.961 6.349 0.069 15 0 "[ . 1 . 2]" 1
508 1 52 LEU HG 1 67 TYR H . . 6.000 3.637 2.387 5.885 . 0 0 "[ . 1 . 2]" 1
509 1 53 GLU H 1 53 GLU HG2 . . 5.000 4.306 3.607 4.830 . 0 0 "[ . 1 . 2]" 1
510 1 53 GLU H 1 53 GLU HG3 . . 5.000 3.353 2.903 4.084 . 0 0 "[ . 1 . 2]" 1
511 1 53 GLU H 1 84 ARG H . . 5.000 2.777 2.618 3.060 . 0 0 "[ . 1 . 2]" 1
512 1 53 GLU H 1 85 VAL HA . . 5.000 3.736 3.298 3.933 . 0 0 "[ . 1 . 2]" 1
513 1 53 GLU H 1 85 VAL MG1 . . 5.000 4.211 3.607 5.259 0.259 16 0 "[ . 1 . 2]" 1
514 1 53 GLU H 1 86 SER H . . 5.830 5.349 4.843 5.547 . 0 0 "[ . 1 . 2]" 1
515 1 53 GLU HA 1 54 VAL H . . 5.000 2.182 2.139 2.333 . 0 0 "[ . 1 . 2]" 1
516 1 53 GLU HA 1 66 PHE HA . . 5.000 2.064 1.983 2.396 . 0 0 "[ . 1 . 2]" 1
517 1 53 GLU HA 1 67 TYR H . . 5.000 3.255 2.691 3.631 . 0 0 "[ . 1 . 2]" 1
518 1 53 GLU HA 1 84 ARG H . . 5.000 4.655 4.443 4.908 . 0 0 "[ . 1 . 2]" 1
519 1 53 GLU HB3 1 54 VAL H . . 5.000 3.225 2.607 3.525 . 0 0 "[ . 1 . 2]" 1
520 1 53 GLU HG2 1 66 PHE HA . . 5.000 3.213 2.439 4.155 . 0 0 "[ . 1 . 2]" 1
521 1 53 GLU HG3 1 66 PHE HA . . 5.000 3.466 2.175 4.723 . 0 0 "[ . 1 . 2]" 1
522 1 54 VAL H 1 65 ASP H . . 5.000 3.204 2.660 4.196 . 0 0 "[ . 1 . 2]" 1
523 1 54 VAL H 1 66 PHE HA . . 5.000 3.209 2.302 3.549 . 0 0 "[ . 1 . 2]" 1
524 1 54 VAL H 1 66 PHE HB3 . . 5.000 4.878 3.965 5.028 0.028 3 0 "[ . 1 . 2]" 1
525 1 54 VAL HA 1 55 PHE H . . 5.000 2.184 2.140 2.232 . 0 0 "[ . 1 . 2]" 1
526 1 54 VAL HA 1 83 VAL HA . . 5.000 2.737 2.566 2.904 . 0 0 "[ . 1 . 2]" 1
527 1 54 VAL HA 1 83 VAL HB . . 5.000 3.808 3.009 4.684 . 0 0 "[ . 1 . 2]" 1
528 1 54 VAL HA 1 84 ARG H . . 5.000 3.646 3.494 3.953 . 0 0 "[ . 1 . 2]" 1
529 1 54 VAL HB 1 55 PHE H . . 5.000 4.016 3.881 4.213 . 0 0 "[ . 1 . 2]" 1
530 1 54 VAL MG1 1 80 ALA H . . 5.630 5.114 4.292 5.651 0.021 7 0 "[ . 1 . 2]" 1
531 1 54 VAL MG1 1 81 SER H . . 5.980 4.781 4.656 5.039 . 0 0 "[ . 1 . 2]" 1
532 1 54 VAL MG2 1 55 PHE H . . 5.000 4.037 3.896 4.171 . 0 0 "[ . 1 . 2]" 1
533 1 54 VAL MG2 1 65 ASP H . . 5.000 4.539 3.904 5.006 0.006 1 0 "[ . 1 . 2]" 1
534 1 54 VAL MG2 1 65 ASP HB2 . . 5.000 3.803 2.262 4.470 . 0 0 "[ . 1 . 2]" 1
535 1 54 VAL MG2 1 65 ASP HB3 . . 5.000 2.986 2.174 3.838 . 0 0 "[ . 1 . 2]" 1
536 1 54 VAL MG2 1 66 PHE H . . 5.000 4.459 3.982 5.003 0.003 1 0 "[ . 1 . 2]" 1
537 1 55 PHE H 1 82 SER H . . 5.000 3.924 3.551 4.215 . 0 0 "[ . 1 . 2]" 1
538 1 55 PHE H 1 83 VAL HA . . 5.000 2.815 2.377 3.153 . 0 0 "[ . 1 . 2]" 1
539 1 55 PHE H 1 84 ARG H . . 5.000 4.732 4.222 5.008 0.008 10 0 "[ . 1 . 2]" 1
540 1 55 PHE HA 1 56 GLN H . . 5.000 2.191 2.149 2.233 . 0 0 "[ . 1 . 2]" 1
541 1 55 PHE HA 1 64 ARG HA . . 5.000 2.922 2.788 3.071 . 0 0 "[ . 1 . 2]" 1
542 1 55 PHE HA 1 65 ASP H . . 5.000 3.588 3.079 3.888 . 0 0 "[ . 1 . 2]" 1
543 1 55 PHE HB2 1 56 GLN H . . 5.000 4.336 4.251 4.410 . 0 0 "[ . 1 . 2]" 1
544 1 55 PHE HB2 1 57 HIS H . . 5.000 4.467 4.013 5.005 0.005 19 0 "[ . 1 . 2]" 1
545 1 55 PHE QD 1 64 ARG QD . . 5.000 3.991 3.233 4.739 . 0 0 "[ . 1 . 2]" 1
546 1 55 PHE QD 1 64 ARG QG . . 5.000 4.277 3.960 4.546 . 0 0 "[ . 1 . 2]" 1
547 1 55 PHE QD 1 83 VAL HA . . 5.000 2.669 1.999 3.119 . 0 0 "[ . 1 . 2]" 1
548 1 56 GLN H 1 56 GLN HG2 . . 5.000 3.592 1.940 4.609 . 0 0 "[ . 1 . 2]" 1
549 1 56 GLN H 1 56 GLN HG3 . . 5.000 3.632 2.261 4.616 . 0 0 "[ . 1 . 2]" 1
550 1 56 GLN H 1 64 ARG HA . . 5.000 4.068 3.420 4.515 . 0 0 "[ . 1 . 2]" 1
551 1 56 GLN HA 1 57 HIS H . . 5.000 3.541 3.515 3.571 . 0 0 "[ . 1 . 2]" 1
552 1 56 GLN HB2 1 57 HIS H . . 5.000 3.364 2.415 4.018 . 0 0 "[ . 1 . 2]" 1
553 1 57 HIS H 1 61 LYS HD2 . . 6.180 5.713 4.140 6.263 0.083 15 0 "[ . 1 . 2]" 1
554 1 57 HIS H 1 63 VAL H . . 5.570 5.256 3.943 5.590 0.020 15 0 "[ . 1 . 2]" 1
555 1 57 HIS H 1 64 ARG HA . . 6.420 5.595 4.775 6.081 . 0 0 "[ . 1 . 2]" 1
556 1 57 HIS HA 1 58 ASN H . . 5.000 2.364 2.210 2.543 . 0 0 "[ . 1 . 2]" 1
557 1 57 HIS HA 1 81 SER HB2 . . 5.000 2.829 2.199 3.551 . 0 0 "[ . 1 . 2]" 1
558 1 57 HIS HA 1 81 SER HB3 . . 5.000 3.548 2.309 4.586 . 0 0 "[ . 1 . 2]" 1
559 1 57 HIS HB2 1 58 ASN H . . 5.000 3.920 2.221 4.302 . 0 0 "[ . 1 . 2]" 1
560 1 57 HIS HB2 1 61 LYS HB3 . . 5.000 3.715 2.013 5.003 0.003 14 0 "[ . 1 . 2]" 1
561 1 57 HIS HB3 1 61 LYS HB3 . . 5.000 3.039 2.006 4.986 . 0 0 "[ . 1 . 2]" 1
562 1 57 HIS HB3 1 62 GLY H . . 5.490 3.149 1.947 5.177 . 0 0 "[ . 1 . 2]" 1
563 1 58 ASN H 1 81 SER HB2 . . 5.000 3.432 2.559 4.176 . 0 0 "[ . 1 . 2]" 1
564 1 58 ASN HA 1 59 ASN H . . 5.000 2.647 2.386 3.429 . 0 0 "[ . 1 . 2]" 1
565 1 58 ASN HA 1 60 PHE H . . 6.000 3.534 3.004 5.384 . 0 0 "[ . 1 . 2]" 1
566 1 58 ASN HA 1 81 SER HB3 . . 5.000 3.031 2.178 3.758 . 0 0 "[ . 1 . 2]" 1
567 1 59 ASN H 1 60 PHE H . . 5.000 2.594 1.879 4.330 . 0 0 "[ . 1 . 2]" 1
568 1 59 ASN H 1 82 SER HB3 . . 5.000 4.406 3.424 5.013 0.013 12 0 "[ . 1 . 2]" 1
569 1 59 ASN HA 1 60 PHE H . . 5.000 2.968 2.167 3.218 . 0 0 "[ . 1 . 2]" 1
570 1 60 PHE H 1 60 PHE QD . . 5.000 2.580 2.150 3.111 . 0 0 "[ . 1 . 2]" 1
571 1 60 PHE H 1 60 PHE QE . . 5.000 4.522 4.317 5.001 0.001 10 0 "[ . 1 . 2]" 1
572 1 60 PHE H 1 61 LYS H . . 5.000 2.889 2.766 2.984 . 0 0 "[ . 1 . 2]" 1
573 1 60 PHE H 1 82 SER HB3 . . 5.000 4.294 3.449 4.812 . 0 0 "[ . 1 . 2]" 1
574 1 60 PHE HA 1 61 LYS H . . 5.000 2.713 2.599 2.912 . 0 0 "[ . 1 . 2]" 1
575 1 60 PHE HB2 1 61 LYS H . . 5.000 4.351 4.169 4.463 . 0 0 "[ . 1 . 2]" 1
576 1 60 PHE QE 1 64 ARG HB2 . . 5.000 4.918 4.675 5.020 0.020 7 0 "[ . 1 . 2]" 1
577 1 60 PHE QE 1 64 ARG HB3 . . 5.000 4.955 4.522 5.012 0.012 5 0 "[ . 1 . 2]" 1
578 1 60 PHE QE 1 64 ARG QD . . 5.890 3.872 3.289 4.421 . 0 0 "[ . 1 . 2]" 1
579 1 60 PHE QE 1 83 VAL H . . 5.940 5.742 5.380 5.963 0.023 3 0 "[ . 1 . 2]" 1
580 1 60 PHE QE 1 83 VAL HA . . 5.920 5.833 5.469 5.951 0.031 15 0 "[ . 1 . 2]" 1
581 1 60 PHE QE 1 84 ARG HB2 . . 5.000 4.521 2.994 5.024 0.024 11 0 "[ . 1 . 2]" 1
582 1 60 PHE QE 1 84 ARG HD2 . . 5.400 3.602 2.389 5.414 0.014 4 0 "[ . 1 . 2]" 1
583 1 60 PHE QE 1 84 ARG HD3 . . 5.470 4.334 2.868 5.492 0.022 2 0 "[ . 1 . 2]" 1
584 1 61 LYS H 1 61 LYS HD2 . . 5.000 4.243 3.067 5.002 0.002 5 0 "[ . 1 . 2]" 1
585 1 61 LYS H 1 61 LYS HD3 . . 5.000 4.720 3.956 5.004 0.004 7 0 "[ . 1 . 2]" 1
586 1 61 LYS H 1 61 LYS HG2 . . 5.000 4.348 3.228 4.518 . 0 0 "[ . 1 . 2]" 1
587 1 61 LYS H 1 61 LYS HG3 . . 5.000 4.438 1.953 4.897 . 0 0 "[ . 1 . 2]" 1
588 1 61 LYS HA 1 62 GLY H . . 5.000 3.416 2.156 3.575 . 0 0 "[ . 1 . 2]" 1
589 1 61 LYS HB3 1 62 GLY H . . 5.000 2.741 2.005 4.452 . 0 0 "[ . 1 . 2]" 1
590 1 61 LYS HD3 1 62 GLY H . . 5.000 3.338 2.585 5.000 . 0 0 "[ . 1 . 2]" 1
591 1 61 LYS HG3 1 62 GLY H . . 5.000 4.307 1.948 5.009 0.009 3 0 "[ . 1 . 2]" 1
592 1 62 GLY H 1 63 VAL H . . 5.000 4.274 2.314 4.629 . 0 0 "[ . 1 . 2]" 1
593 1 62 GLY HA2 1 63 VAL H . . 5.000 2.755 2.398 3.568 . 0 0 "[ . 1 . 2]" 1
594 1 62 GLY HA3 1 63 VAL H . . 5.000 2.502 2.137 2.743 . 0 0 "[ . 1 . 2]" 1
595 1 63 VAL HA 1 64 ARG H . . 5.000 2.219 2.141 2.270 . 0 0 "[ . 1 . 2]" 1
596 1 63 VAL MG1 1 64 ARG H . . 5.000 3.895 3.609 4.177 . 0 0 "[ . 1 . 2]" 1
597 1 63 VAL MG2 1 64 ARG H . . 5.000 3.148 1.973 4.099 . 0 0 "[ . 1 . 2]" 1
598 1 63 VAL MG2 1 65 ASP H . . 5.000 4.640 4.127 4.997 . 0 0 "[ . 1 . 2]" 1
599 1 63 VAL MG2 1 76 ARG HD2 . . 5.000 4.641 3.743 5.004 0.004 16 0 "[ . 1 . 2]" 1
600 1 64 ARG H 1 64 ARG QD . . 5.000 4.015 3.643 4.319 . 0 0 "[ . 1 . 2]" 1
601 1 64 ARG H 1 64 ARG QG . . 5.000 2.095 1.921 2.329 . 0 0 "[ . 1 . 2]" 1
602 1 64 ARG H 1 65 ASP H . . 5.000 4.460 4.269 4.568 . 0 0 "[ . 1 . 2]" 1
603 1 64 ARG HA 1 65 ASP H . . 5.000 2.203 2.147 2.335 . 0 0 "[ . 1 . 2]" 1
604 1 64 ARG HB2 1 65 ASP H . . 5.000 3.051 2.591 3.340 . 0 0 "[ . 1 . 2]" 1
605 1 64 ARG HB3 1 65 ASP H . . 5.000 4.105 3.792 4.248 . 0 0 "[ . 1 . 2]" 1
606 1 64 ARG QG 1 65 ASP H . . 5.760 3.966 3.658 4.191 . 0 0 "[ . 1 . 2]" 1
607 1 64 ARG QG 1 66 PHE H . . 6.120 5.807 5.531 5.896 . 0 0 "[ . 1 . 2]" 1
608 1 65 ASP HA 1 66 PHE H . . 5.000 2.530 2.300 2.573 . 0 0 "[ . 1 . 2]" 1
609 1 65 ASP HB3 1 66 PHE H . . 5.000 2.662 2.123 3.288 . 0 0 "[ . 1 . 2]" 1
610 1 66 PHE H 1 66 PHE QD . . 5.000 3.044 2.762 3.316 . 0 0 "[ . 1 . 2]" 1
611 1 66 PHE H 1 67 TYR H . . 5.000 4.181 3.976 4.364 . 0 0 "[ . 1 . 2]" 1
612 1 66 PHE HA 1 67 TYR H . . 5.000 2.179 2.138 2.264 . 0 0 "[ . 1 . 2]" 1
613 1 67 TYR H 1 67 TYR QD . . 5.000 4.151 3.873 4.370 . 0 0 "[ . 1 . 2]" 1
614 1 67 TYR H 1 71 ALA MB . . 6.280 6.254 6.008 6.319 0.039 19 0 "[ . 1 . 2]" 1
615 1 67 TYR HB2 1 68 THR H . . 5.000 4.247 3.750 4.466 . 0 0 "[ . 1 . 2]" 1
616 1 67 TYR HB2 1 69 SER H . . 5.000 4.805 4.690 4.984 . 0 0 "[ . 1 . 2]" 1
617 1 67 TYR HB3 1 68 THR H . . 5.000 3.131 2.290 3.575 . 0 0 "[ . 1 . 2]" 1
618 1 67 TYR HB3 1 69 SER H . . 5.000 3.116 2.982 3.331 . 0 0 "[ . 1 . 2]" 1
619 1 67 TYR QD 1 68 THR H . . 5.000 2.381 1.958 2.912 . 0 0 "[ . 1 . 2]" 1
620 1 67 TYR QD 1 74 LEU MD2 . . 6.380 4.677 3.726 5.445 . 0 0 "[ . 1 . 2]" 1
621 1 67 TYR QE 1 74 LEU MD2 . . 5.000 4.624 3.738 5.009 0.009 14 0 "[ . 1 . 2]" 1
622 1 67 TYR QE 1 75 SER H . . 5.000 3.396 2.410 3.978 . 0 0 "[ . 1 . 2]" 1
623 1 68 THR H 1 69 SER H . . 5.000 2.317 1.899 2.795 . 0 0 "[ . 1 . 2]" 1
624 1 68 THR MG 1 69 SER H . . 5.000 3.930 3.293 4.420 . 0 0 "[ . 1 . 2]" 1
625 1 69 SER HA 1 70 ASP H . . 5.000 2.474 2.341 2.714 . 0 0 "[ . 1 . 2]" 1
626 1 69 SER HB3 1 70 ASP H . . 5.000 3.367 2.451 4.071 . 0 0 "[ . 1 . 2]" 1
627 1 70 ASP H 1 71 ALA H . . 5.000 4.326 4.095 4.513 . 0 0 "[ . 1 . 2]" 1
628 1 70 ASP HA 1 71 ALA H . . 5.000 2.179 2.140 2.277 . 0 0 "[ . 1 . 2]" 1
629 1 70 ASP HA 1 72 ALA H . . 5.840 5.533 5.087 5.856 0.016 7 0 "[ . 1 . 2]" 1
630 1 70 ASP HB3 1 71 ALA H . . 5.000 4.096 3.419 4.553 . 0 0 "[ . 1 . 2]" 1
631 1 71 ALA H 1 72 ALA H . . 5.000 4.261 3.906 4.485 . 0 0 "[ . 1 . 2]" 1
632 1 71 ALA HA 1 72 ALA H . . 5.000 2.174 2.142 2.256 . 0 0 "[ . 1 . 2]" 1
633 1 71 ALA HA 1 73 GLU H . . 5.000 3.497 3.192 3.972 . 0 0 "[ . 1 . 2]" 1
634 1 71 ALA MB 1 72 ALA H . . 5.000 3.356 3.124 3.581 . 0 0 "[ . 1 . 2]" 1
635 1 71 ALA MB 1 73 GLU H . . 5.800 3.057 2.647 3.529 . 0 0 "[ . 1 . 2]" 1
636 1 72 ALA H 1 73 GLU H . . 5.000 2.580 2.192 2.982 . 0 0 "[ . 1 . 2]" 1
637 1 72 ALA HA 1 73 GLU H . . 5.000 3.278 2.808 3.495 . 0 0 "[ . 1 . 2]" 1
638 1 72 ALA MB 1 73 GLU H . . 5.000 3.190 2.824 3.681 . 0 0 "[ . 1 . 2]" 1
639 1 73 GLU H 1 73 GLU HG2 . . 5.000 4.542 4.389 4.816 . 0 0 "[ . 1 . 2]" 1
640 1 73 GLU H 1 73 GLU HG3 . . 5.000 4.719 4.092 5.003 0.003 5 0 "[ . 1 . 2]" 1
641 1 73 GLU H 1 74 LEU H . . 5.000 4.089 3.622 4.367 . 0 0 "[ . 1 . 2]" 1
642 1 73 GLU H 1 74 LEU HA . . 5.840 4.705 4.279 5.015 . 0 0 "[ . 1 . 2]" 1
643 1 73 GLU HA 1 74 LEU H . . 5.000 2.150 2.139 2.181 . 0 0 "[ . 1 . 2]" 1
644 1 73 GLU HB2 1 74 LEU H . . 5.000 4.500 4.377 4.620 . 0 0 "[ . 1 . 2]" 1
645 1 73 GLU HG2 1 74 LEU H . . 5.000 3.218 2.762 3.699 . 0 0 "[ . 1 . 2]" 1
646 1 73 GLU HG3 1 74 LEU H . . 5.000 4.708 4.306 5.014 0.014 8 0 "[ . 1 . 2]" 1
647 1 74 LEU H 1 74 LEU MD1 . . 5.000 4.072 3.714 4.303 . 0 0 "[ . 1 . 2]" 1
648 1 74 LEU H 1 74 LEU MD2 . . 5.000 3.172 2.089 3.997 . 0 0 "[ . 1 . 2]" 1
649 1 74 LEU H 1 74 LEU HG . . 5.000 3.771 2.455 4.551 . 0 0 "[ . 1 . 2]" 1
650 1 74 LEU H 1 75 SER H . . 5.000 4.633 4.599 4.647 . 0 0 "[ . 1 . 2]" 1
651 1 74 LEU HA 1 75 SER H . . 5.000 2.330 2.188 2.450 . 0 0 "[ . 1 . 2]" 1
652 1 74 LEU HA 1 76 ARG H . . 5.840 4.933 4.059 5.697 . 0 0 "[ . 1 . 2]" 1
653 1 74 LEU HB3 1 75 SER H . . 5.000 2.971 2.358 3.911 . 0 0 "[ . 1 . 2]" 1
654 1 74 LEU MD1 1 75 SER H . . 5.000 2.822 1.944 4.420 . 0 0 "[ . 1 . 2]" 1
655 1 74 LEU MD1 1 76 ARG H . . 5.370 3.941 2.043 4.898 . 0 0 "[ . 1 . 2]" 1
656 1 74 LEU MD2 1 75 SER H . . 5.000 2.921 1.884 4.131 . 0 0 "[ . 1 . 2]" 1
657 1 74 LEU MD2 1 76 ARG H . . 5.840 5.124 3.182 5.921 0.081 19 0 "[ . 1 . 2]" 1
658 1 75 SER H 1 76 ARG H . . 5.000 3.351 2.597 4.447 . 0 0 "[ . 1 . 2]" 1
659 1 75 SER H 1 83 VAL MG1 . . 6.080 6.065 5.840 6.134 0.054 9 0 "[ . 1 . 2]" 1
660 1 75 SER HA 1 76 ARG H . . 5.000 3.187 2.140 3.570 . 0 0 "[ . 1 . 2]" 1
661 1 75 SER HB2 1 76 ARG H . . 5.000 3.307 1.949 4.575 . 0 0 "[ . 1 . 2]" 1
662 1 75 SER HB3 1 76 ARG H . . 5.000 3.549 2.293 4.242 . 0 0 "[ . 1 . 2]" 1
663 1 76 ARG H 1 76 ARG HD2 . . 5.000 4.571 2.940 5.006 0.006 16 0 "[ . 1 . 2]" 1
664 1 76 ARG H 1 76 ARG HD3 . . 5.000 4.630 3.769 5.011 0.011 3 0 "[ . 1 . 2]" 1
665 1 76 ARG H 1 77 ASP H . . 5.000 4.253 2.647 4.590 . 0 0 "[ . 1 . 2]" 1
666 1 76 ARG HB3 1 77 ASP H . . 5.000 2.913 2.010 4.055 . 0 0 "[ . 1 . 2]" 1
667 1 76 ARG HB3 1 79 ASP H . . 6.350 4.972 3.577 6.386 0.036 15 0 "[ . 1 . 2]" 1
668 1 77 ASP H 1 78 ASN H . . 5.000 4.514 4.426 4.648 . 0 0 "[ . 1 . 2]" 1
669 1 77 ASP HB3 1 78 ASN H . . 5.000 3.453 2.598 4.286 . 0 0 "[ . 1 . 2]" 1
670 1 78 ASN H 1 79 ASP H . . 5.000 3.590 2.750 4.362 . 0 0 "[ . 1 . 2]" 1
671 1 78 ASN HA 1 79 ASP H . . 5.000 2.471 2.158 3.565 . 0 0 "[ . 1 . 2]" 1
672 1 78 ASN HB2 1 79 ASP H . . 5.000 4.069 1.940 4.568 . 0 0 "[ . 1 . 2]" 1
673 1 78 ASN HB3 1 79 ASP H . . 5.000 4.245 3.394 4.651 . 0 0 "[ . 1 . 2]" 1
674 1 79 ASP H 1 80 ALA H . . 5.000 3.043 1.899 4.597 . 0 0 "[ . 1 . 2]" 1
675 1 79 ASP HA 1 80 ALA H . . 5.000 2.458 2.140 3.490 . 0 0 "[ . 1 . 2]" 1
676 1 79 ASP HB2 1 80 ALA H . . 5.000 4.494 3.373 4.666 . 0 0 "[ . 1 . 2]" 1
677 1 79 ASP HB3 1 80 ALA H . . 5.000 4.053 1.892 4.593 . 0 0 "[ . 1 . 2]" 1
678 1 80 ALA MB 1 81 SER H . . 5.000 3.522 2.266 3.717 . 0 0 "[ . 1 . 2]" 1
679 1 80 ALA MB 1 82 SER H . . 5.000 4.292 2.583 4.856 . 0 0 "[ . 1 . 2]" 1
680 1 81 SER H 1 82 SER H . . 5.000 2.928 2.541 3.190 . 0 0 "[ . 1 . 2]" 1
681 1 81 SER H 1 82 SER HA . . 5.550 5.292 5.106 5.410 . 0 0 "[ . 1 . 2]" 1
682 1 81 SER HA 1 82 SER H . . 5.000 3.562 3.528 3.571 . 0 0 "[ . 1 . 2]" 1
683 1 81 SER HB2 1 82 SER H . . 5.000 2.761 2.131 3.936 . 0 0 "[ . 1 . 2]" 1
684 1 81 SER HB3 1 82 SER H . . 5.000 2.738 2.112 3.493 . 0 0 "[ . 1 . 2]" 1
685 1 82 SER H 1 83 VAL H . . 5.000 4.470 4.370 4.538 . 0 0 "[ . 1 . 2]" 1
686 1 82 SER HA 1 83 VAL H . . 5.000 2.349 2.244 2.415 . 0 0 "[ . 1 . 2]" 1
687 1 82 SER HB2 1 83 VAL H . . 5.000 3.669 3.536 3.856 . 0 0 "[ . 1 . 2]" 1
688 1 82 SER HB3 1 83 VAL H . . 5.000 3.881 3.654 4.093 . 0 0 "[ . 1 . 2]" 1
689 1 83 VAL HA 1 84 ARG H . . 5.000 2.350 2.208 2.410 . 0 0 "[ . 1 . 2]" 1
690 1 83 VAL HB 1 84 ARG H . . 5.000 2.744 2.364 3.606 . 0 0 "[ . 1 . 2]" 1
691 1 84 ARG H 1 84 ARG HD2 . . 5.000 4.955 4.159 5.079 0.079 20 0 "[ . 1 . 2]" 1
692 1 84 ARG H 1 84 ARG HD3 . . 5.000 4.952 4.369 5.071 0.071 20 0 "[ . 1 . 2]" 1
693 1 84 ARG H 1 84 ARG HG2 . . 5.000 4.610 2.998 5.009 0.009 9 0 "[ . 1 . 2]" 1
694 1 84 ARG H 1 84 ARG HG3 . . 5.000 4.303 1.942 4.955 . 0 0 "[ . 1 . 2]" 1
695 1 84 ARG H 1 85 VAL MG1 . . 5.000 4.018 3.679 5.045 0.045 17 0 "[ . 1 . 2]" 1
696 1 84 ARG HA 1 85 VAL H . . 5.000 2.206 2.152 2.301 . 0 0 "[ . 1 . 2]" 1
697 1 85 VAL HA 1 86 SER H . . 5.000 2.195 2.186 2.210 . 0 0 "[ . 1 . 2]" 1
698 1 85 VAL HB 1 86 SER H . . 5.000 3.158 2.990 3.947 . 0 0 "[ . 1 . 2]" 1
699 1 86 SER HA 1 87 LYS H . . 5.000 2.407 2.137 2.617 . 0 0 "[ . 1 . 2]" 1
700 1 86 SER HB3 1 87 LYS H . . 5.000 2.551 2.028 3.542 . 0 0 "[ . 1 . 2]" 1
701 1 86 SER HB3 1 88 MET H . . 5.860 5.805 5.483 5.900 0.040 13 0 "[ . 1 . 2]" 1
702 1 87 LYS H 1 87 LYS HD3 . . 5.000 3.459 2.241 4.986 . 0 0 "[ . 1 . 2]" 1
703 1 87 LYS H 1 87 LYS HG2 . . 5.000 4.104 2.212 4.718 . 0 0 "[ . 1 . 2]" 1
704 1 87 LYS H 1 87 LYS HG3 . . 5.000 3.511 1.987 4.477 . 0 0 "[ . 1 . 2]" 1
705 1 87 LYS HG2 1 88 MET H . . 5.290 4.607 3.417 5.278 . 0 0 "[ . 1 . 2]" 1
706 1 88 MET H 1 88 MET HG2 . . 5.000 4.332 3.403 4.824 . 0 0 "[ . 1 . 2]" 1
707 1 88 MET H 1 88 MET HG3 . . 5.000 4.323 2.690 4.857 . 0 0 "[ . 1 . 2]" 1
708 1 88 MET HB2 1 90 THR H . . 5.290 5.253 4.855 5.329 0.039 15 0 "[ . 1 . 2]" 1
709 1 88 MET HB3 1 90 THR H . . 5.370 4.580 3.980 5.410 0.040 12 0 "[ . 1 . 2]" 1
710 1 89 GLU H 1 89 GLU HG2 . . 5.000 3.997 3.266 4.811 . 0 0 "[ . 1 . 2]" 1
711 1 89 GLU H 1 89 GLU HG3 . . 5.000 3.842 2.198 4.525 . 0 0 "[ . 1 . 2]" 1
712 1 89 GLU HG3 1 90 THR H . . 5.650 5.308 4.675 5.651 0.001 18 0 "[ . 1 . 2]" 1
713 1 91 THR MG 1 92 ASN H . . 5.000 3.134 1.978 4.254 . 0 0 "[ . 1 . 2]" 1
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