NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401674 |
1w0b   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w0b
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 1338
_Distance_constraint_stats_list.Viol_count 1622
_Distance_constraint_stats_list.Viol_total 922.442
_Distance_constraint_stats_list.Viol_max 0.253
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0017
_Distance_constraint_stats_list.Viol_average_violations_only 0.0284
_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 1 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.072 0.052 1 0 "[ . 1 . 2]"
1 3 LEU 0.498 0.066 20 0 "[ . 1 . 2]"
1 4 LEU 0.785 0.077 3 0 "[ . 1 . 2]"
1 5 LYS 0.219 0.048 7 0 "[ . 1 . 2]"
1 6 ALA 0.131 0.048 7 0 "[ . 1 . 2]"
1 7 ASN 0.239 0.065 8 0 "[ . 1 . 2]"
1 8 LYS 0.317 0.033 11 0 "[ . 1 . 2]"
1 9 ASP 0.053 0.033 11 0 "[ . 1 . 2]"
1 10 LEU 0.538 0.089 19 0 "[ . 1 . 2]"
1 11 ILE 0.889 0.079 19 0 "[ . 1 . 2]"
1 12 SER 1.027 0.079 19 0 "[ . 1 . 2]"
1 13 ALA 0.981 0.078 19 0 "[ . 1 . 2]"
1 14 GLY 0.292 0.089 19 0 "[ . 1 . 2]"
1 15 LEU 2.229 0.068 20 0 "[ . 1 . 2]"
1 16 LYS 1.198 0.130 19 0 "[ . 1 . 2]"
1 17 GLU 0.562 0.130 19 0 "[ . 1 . 2]"
1 18 PHE 1.273 0.066 7 0 "[ . 1 . 2]"
1 19 SER 1.058 0.066 7 0 "[ . 1 . 2]"
1 20 VAL 0.880 0.071 16 0 "[ . 1 . 2]"
1 21 LEU 1.219 0.071 16 0 "[ . 1 . 2]"
1 22 LEU 0.586 0.099 10 0 "[ . 1 . 2]"
1 23 ASN 0.190 0.047 5 0 "[ . 1 . 2]"
1 24 GLN 0.909 0.184 10 0 "[ . 1 . 2]"
1 25 GLN 0.530 0.131 10 0 "[ . 1 . 2]"
1 26 VAL 0.326 0.044 12 0 "[ . 1 . 2]"
1 27 PHE 3.094 0.184 10 0 "[ . 1 . 2]"
1 28 ASN 0.709 0.068 17 0 "[ . 1 . 2]"
1 29 ASP 0.973 0.074 12 0 "[ . 1 . 2]"
1 30 ALA 0.680 0.214 6 0 "[ . 1 . 2]"
1 31 LEU 1.192 0.114 20 0 "[ . 1 . 2]"
1 32 VAL 0.964 0.108 3 0 "[ . 1 . 2]"
1 33 SER 0.217 0.040 11 0 "[ . 1 . 2]"
1 34 GLU 0.792 0.045 17 0 "[ . 1 . 2]"
1 35 GLU 1.820 0.067 6 0 "[ . 1 . 2]"
1 36 ASP 1.343 0.079 16 0 "[ . 1 . 2]"
1 37 MET 0.675 0.052 4 0 "[ . 1 . 2]"
1 38 VAL 1.161 0.067 6 0 "[ . 1 . 2]"
1 39 THR 1.359 0.126 1 0 "[ . 1 . 2]"
1 40 VAL 0.391 0.126 1 0 "[ . 1 . 2]"
1 41 VAL 1.139 0.083 10 0 "[ . 1 . 2]"
1 42 GLU 0.167 0.034 18 0 "[ . 1 . 2]"
1 43 ASP 0.018 0.014 2 0 "[ . 1 . 2]"
1 44 TRP 0.299 0.043 10 0 "[ . 1 . 2]"
1 45 MET 1.726 0.081 6 0 "[ . 1 . 2]"
1 46 ASN 1.632 0.081 6 0 "[ . 1 . 2]"
1 47 PHE 0.306 0.030 3 0 "[ . 1 . 2]"
1 48 TYR 1.193 0.052 19 0 "[ . 1 . 2]"
1 49 ILE 0.673 0.068 19 0 "[ . 1 . 2]"
1 50 ASN 0.144 0.047 3 0 "[ . 1 . 2]"
1 51 TYR 0.626 0.073 19 0 "[ . 1 . 2]"
1 52 TYR 0.651 0.052 19 0 "[ . 1 . 2]"
1 53 ARG 0.104 0.026 19 0 "[ . 1 . 2]"
1 54 GLN 0.206 0.033 17 0 "[ . 1 . 2]"
1 55 GLN 0.066 0.035 17 0 "[ . 1 . 2]"
1 56 VAL 1.002 0.138 5 0 "[ . 1 . 2]"
1 57 THR 0.514 0.087 16 0 "[ . 1 . 2]"
1 58 GLY 0.181 0.099 7 0 "[ . 1 . 2]"
1 59 GLU 1.524 0.253 5 0 "[ . 1 . 2]"
1 60 PRO 1.232 0.111 19 0 "[ . 1 . 2]"
1 61 GLN 0.143 0.027 15 0 "[ . 1 . 2]"
1 62 GLU 1.210 0.253 5 0 "[ . 1 . 2]"
1 63 ARG 1.769 0.171 7 0 "[ . 1 . 2]"
1 64 ASP 1.818 0.138 5 0 "[ . 1 . 2]"
1 65 LYS 1.998 0.058 14 0 "[ . 1 . 2]"
1 66 ALA 1.128 0.056 13 0 "[ . 1 . 2]"
1 67 LEU 0.654 0.052 4 0 "[ . 1 . 2]"
1 68 GLN 1.994 0.055 16 0 "[ . 1 . 2]"
1 69 GLU 1.354 0.072 6 0 "[ . 1 . 2]"
1 70 LEU 0.938 0.064 6 0 "[ . 1 . 2]"
1 71 ARG 1.012 0.053 8 0 "[ . 1 . 2]"
1 72 GLN 1.185 0.072 6 0 "[ . 1 . 2]"
1 73 GLU 0.635 0.064 6 0 "[ . 1 . 2]"
1 74 LEU 2.577 0.132 9 0 "[ . 1 . 2]"
1 75 ASN 1.744 0.120 3 0 "[ . 1 . 2]"
1 76 THR 0.937 0.096 16 0 "[ . 1 . 2]"
1 77 LEU 0.531 0.058 20 0 "[ . 1 . 2]"
1 78 ALA 3.618 0.132 9 0 "[ . 1 . 2]"
1 79 ASN 0.817 0.096 16 0 "[ . 1 . 2]"
1 80 PRO 0.096 0.020 8 0 "[ . 1 . 2]"
1 81 PHE 2.312 0.083 10 0 "[ . 1 . 2]"
1 82 LEU 2.670 0.088 6 0 "[ . 1 . 2]"
1 83 ALA 0.590 0.044 10 0 "[ . 1 . 2]"
1 84 LYS 0.511 0.060 8 0 "[ . 1 . 2]"
1 85 TYR 3.481 0.214 6 0 "[ . 1 . 2]"
1 86 ARG 1.926 0.126 13 0 "[ . 1 . 2]"
1 87 ASP 0.209 0.033 14 0 "[ . 1 . 2]"
1 88 PHE 2.761 0.114 20 0 "[ . 1 . 2]"
1 89 LEU 1.854 0.126 13 0 "[ . 1 . 2]"
1 90 LYS 0.238 0.096 8 0 "[ . 1 . 2]"
1 91 SER 0.022 0.022 14 0 "[ . 1 . 2]"
1 92 HIS 0.356 0.103 8 0 "[ . 1 . 2]"
1 93 GLU 0.175 0.070 2 0 "[ . 1 . 2]"
1 94 LEU 0.841 0.145 4 0 "[ . 1 . 2]"
1 95 PRO 0.244 0.061 5 0 "[ . 1 . 2]"
1 96 SER 0.156 0.061 5 0 "[ . 1 . 2]"
1 97 HIS 0.015 0.009 3 0 "[ . 1 . 2]"
1 98 PRO 0.015 0.009 3 0 "[ . 1 . 2]"
1 100 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 101 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 102 SER 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 3 LEU H 1 3 LEU HG 4.000 . 4.750 3.497 1.973 4.796 0.046 14 0 "[ . 1 . 2]" 1
2 1 3 LEU HA 1 3 LEU QD 4.000 . 4.750 2.810 1.863 3.443 . 0 0 "[ . 1 . 2]" 1
3 1 4 LEU H 1 4 LEU HG 4.000 . 4.750 3.222 2.112 4.818 0.068 20 0 "[ . 1 . 2]" 1
4 1 4 LEU HA 1 4 LEU HG 3.000 . 3.500 2.739 2.239 3.577 0.077 3 0 "[ . 1 . 2]" 1
5 1 4 LEU HA 1 4 LEU QD 4.000 . 4.750 2.573 1.890 3.154 . 0 0 "[ . 1 . 2]" 1
6 1 5 LYS H 1 5 LYS HA 3.000 . 3.500 2.736 2.714 2.754 . 0 0 "[ . 1 . 2]" 1
7 1 5 LYS H 1 5 LYS QD 5.000 . 6.000 3.498 1.954 4.550 . 0 0 "[ . 1 . 2]" 1
8 1 5 LYS HA 1 5 LYS QE 5.000 . 6.000 4.446 3.794 5.452 . 0 0 "[ . 1 . 2]" 1
9 1 5 LYS QB 1 5 LYS QD 3.000 . 3.500 2.158 1.955 2.519 . 0 0 "[ . 1 . 2]" 1
10 1 7 ASN H 1 7 ASN QD 5.000 . 6.000 4.011 2.562 4.693 . 0 0 "[ . 1 . 2]" 1
11 1 8 LYS H 1 8 LYS HA 3.000 . 3.500 2.832 2.804 2.873 . 0 0 "[ . 1 . 2]" 1
12 1 8 LYS H 1 8 LYS QB 3.000 . 3.500 2.255 2.043 2.673 . 0 0 "[ . 1 . 2]" 1
13 1 8 LYS H 1 8 LYS QG 4.000 . 4.750 3.435 2.152 4.035 . 0 0 "[ . 1 . 2]" 1
14 1 8 LYS H 1 8 LYS QD 5.000 . 6.000 4.275 3.050 4.735 . 0 0 "[ . 1 . 2]" 1
15 1 8 LYS HA 1 8 LYS QD 4.000 . 4.750 3.583 2.192 4.468 . 0 0 "[ . 1 . 2]" 1
16 1 8 LYS QB 1 8 LYS QD 3.000 . 3.500 2.145 1.959 2.475 . 0 0 "[ . 1 . 2]" 1
17 1 10 LEU H 1 10 LEU HG 4.000 . 4.750 4.274 1.904 4.543 . 0 0 "[ . 1 . 2]" 1
18 1 10 LEU H 1 10 LEU MD1 5.000 . 6.000 4.121 2.805 4.297 . 0 0 "[ . 1 . 2]" 1
19 1 10 LEU H 1 10 LEU MD2 5.000 . 6.000 3.374 2.526 4.377 . 0 0 "[ . 1 . 2]" 1
20 1 10 LEU HA 1 10 LEU HG 4.000 . 4.750 3.358 2.289 3.655 . 0 0 "[ . 1 . 2]" 1
21 1 10 LEU HA 1 10 LEU MD1 4.000 . 4.750 2.521 2.001 3.960 . 0 0 "[ . 1 . 2]" 1
22 1 10 LEU QB 1 10 LEU MD1 3.000 . 3.500 2.217 1.914 2.395 . 0 0 "[ . 1 . 2]" 1
23 1 10 LEU QB 1 10 LEU MD2 3.000 . 3.500 2.212 1.924 2.375 . 0 0 "[ . 1 . 2]" 1
24 1 11 ILE H 1 11 ILE HB 3.000 . 3.500 2.461 2.147 2.676 . 0 0 "[ . 1 . 2]" 1
25 1 11 ILE H 1 11 ILE MG 4.000 . 4.750 3.513 2.551 3.775 . 0 0 "[ . 1 . 2]" 1
26 1 11 ILE H 1 11 ILE QG 4.000 . 4.750 2.595 1.932 3.948 . 0 0 "[ . 1 . 2]" 1
27 1 11 ILE HA 1 11 ILE HB 3.000 . 3.500 2.933 2.601 3.023 . 0 0 "[ . 1 . 2]" 1
28 1 11 ILE HA 1 11 ILE MD 4.000 . 4.750 3.279 1.965 3.921 . 0 0 "[ . 1 . 2]" 1
29 1 11 ILE QG 1 11 ILE MG 3.000 . 3.500 2.218 2.009 2.359 . 0 0 "[ . 1 . 2]" 1
30 1 12 SER H 1 12 SER HA 3.000 . 3.500 2.813 2.790 2.836 . 0 0 "[ . 1 . 2]" 1
31 1 15 LEU H 1 15 LEU HA 3.000 . 3.500 2.846 2.833 2.862 . 0 0 "[ . 1 . 2]" 1
32 1 15 LEU H 1 15 LEU HB3 4.000 . 4.750 3.354 3.337 3.401 . 0 0 "[ . 1 . 2]" 1
33 1 15 LEU H 1 15 LEU HB2 4.000 . 4.750 2.070 2.057 2.111 . 0 0 "[ . 1 . 2]" 1
34 1 15 LEU H 1 15 LEU HG 4.000 . 4.750 3.874 3.621 4.173 . 0 0 "[ . 1 . 2]" 1
35 1 15 LEU H 1 15 LEU QD 4.000 . 4.750 2.781 2.411 3.128 . 0 0 "[ . 1 . 2]" 1
36 1 15 LEU HA 1 15 LEU HB2 3.000 . 3.500 2.916 2.907 2.936 . 0 0 "[ . 1 . 2]" 1
37 1 15 LEU HA 1 15 LEU HG 4.000 . 4.750 2.168 2.104 2.392 . 0 0 "[ . 1 . 2]" 1
38 1 15 LEU HA 1 15 LEU QD 4.000 . 4.750 2.830 2.473 2.952 . 0 0 "[ . 1 . 2]" 1
39 1 15 LEU HB3 1 15 LEU HG 3.000 . 3.500 2.746 2.514 2.909 . 0 0 "[ . 1 . 2]" 1
40 1 15 LEU HB2 1 15 LEU HG 3.000 . 3.500 2.918 2.785 3.019 . 0 0 "[ . 1 . 2]" 1
41 1 16 LYS H 1 16 LYS HA 3.000 . 3.500 2.816 2.792 2.842 . 0 0 "[ . 1 . 2]" 1
42 1 16 LYS H 1 16 LYS QB 3.000 . 3.500 2.289 2.222 2.471 . 0 0 "[ . 1 . 2]" 1
43 1 16 LYS H 1 16 LYS QG 4.000 . 4.750 3.349 2.219 3.988 . 0 0 "[ . 1 . 2]" 1
44 1 16 LYS H 1 16 LYS QD 4.000 . 4.750 4.134 3.205 4.525 . 0 0 "[ . 1 . 2]" 1
45 1 16 LYS HA 1 16 LYS QG 3.000 . 3.500 2.893 2.540 3.477 . 0 0 "[ . 1 . 2]" 1
46 1 16 LYS HA 1 16 LYS QD 4.000 . 4.750 4.049 3.490 4.528 . 0 0 "[ . 1 . 2]" 1
47 1 16 LYS QB 1 16 LYS QD 3.000 . 3.500 2.072 1.927 2.368 . 0 0 "[ . 1 . 2]" 1
48 1 17 GLU H 1 17 GLU HA 3.000 . 3.500 2.799 2.770 2.836 . 0 0 "[ . 1 . 2]" 1
49 1 17 GLU H 1 17 GLU QB 3.000 . 3.500 2.152 2.034 2.454 . 0 0 "[ . 1 . 2]" 1
50 1 17 GLU H 1 17 GLU QG 4.000 . 4.750 3.483 2.155 4.042 . 0 0 "[ . 1 . 2]" 1
51 1 17 GLU HA 1 17 GLU QG 3.000 . 3.500 2.322 2.014 3.455 . 0 0 "[ . 1 . 2]" 1
52 1 18 PHE H 1 18 PHE HB3 3.000 . 3.500 2.784 2.543 2.905 . 0 0 "[ . 1 . 2]" 1
53 1 18 PHE H 1 18 PHE HB2 4.000 . 4.750 2.312 2.193 2.557 . 0 0 "[ . 1 . 2]" 1
54 1 18 PHE H 1 18 PHE QD 5.000 . 6.000 4.049 3.909 4.181 . 0 0 "[ . 1 . 2]" 1
55 1 18 PHE HA 1 18 PHE QD 3.000 . 3.500 2.636 2.040 3.063 . 0 0 "[ . 1 . 2]" 1
56 1 19 SER H 1 19 SER QB 3.000 . 3.500 2.314 2.054 2.830 . 0 0 "[ . 1 . 2]" 1
57 1 20 VAL H 1 20 VAL HB 3.000 . 3.500 2.804 2.713 2.855 . 0 0 "[ . 1 . 2]" 1
58 1 20 VAL H 1 20 VAL MG1 4.000 . 4.750 3.754 3.739 3.775 . 0 0 "[ . 1 . 2]" 1
59 1 20 VAL H 1 20 VAL MG2 4.000 . 4.750 1.970 1.863 2.081 . 0 0 "[ . 1 . 2]" 1
60 1 21 LEU H 1 21 LEU HB3 4.000 . 4.750 2.292 2.043 2.948 . 0 0 "[ . 1 . 2]" 1
61 1 21 LEU H 1 21 LEU HB2 4.000 . 4.750 2.800 2.130 3.220 . 0 0 "[ . 1 . 2]" 1
62 1 21 LEU H 1 21 LEU HG 5.000 . 6.000 4.244 3.760 4.429 . 0 0 "[ . 1 . 2]" 1
63 1 21 LEU H 1 21 LEU MD1 5.000 . 6.000 4.090 3.005 4.234 . 0 0 "[ . 1 . 2]" 1
64 1 21 LEU H 1 21 LEU MD2 5.000 . 6.000 4.229 4.094 4.277 . 0 0 "[ . 1 . 2]" 1
65 1 21 LEU HA 1 21 LEU HB3 3.000 . 3.500 2.983 2.894 3.014 . 0 0 "[ . 1 . 2]" 1
66 1 21 LEU HA 1 21 LEU HB2 3.000 . 3.500 2.349 2.234 2.705 . 0 0 "[ . 1 . 2]" 1
67 1 21 LEU HA 1 21 LEU MD1 4.000 . 4.750 2.274 1.974 3.800 . 0 0 "[ . 1 . 2]" 1
68 1 22 LEU H 1 22 LEU HG 4.000 . 4.750 2.570 1.917 4.395 . 0 0 "[ . 1 . 2]" 1
69 1 22 LEU H 1 22 LEU MD1 5.000 . 6.000 3.655 3.119 4.163 . 0 0 "[ . 1 . 2]" 1
70 1 22 LEU H 1 22 LEU MD2 5.000 . 6.000 3.388 2.691 4.285 . 0 0 "[ . 1 . 2]" 1
71 1 22 LEU HA 1 22 LEU HG 4.000 . 4.750 3.042 2.322 3.455 . 0 0 "[ . 1 . 2]" 1
72 1 22 LEU HA 1 22 LEU MD2 4.000 . 4.750 2.190 1.839 3.547 . 0 0 "[ . 1 . 2]" 1
73 1 23 ASN H 1 23 ASN QB 3.000 . 3.500 2.226 2.085 2.600 . 0 0 "[ . 1 . 2]" 1
74 1 23 ASN H 1 23 ASN QD 5.000 . 6.000 3.219 2.023 4.432 . 0 0 "[ . 1 . 2]" 1
75 1 24 GLN H 1 24 GLN QB 3.000 . 3.500 2.345 2.070 2.762 . 0 0 "[ . 1 . 2]" 1
76 1 24 GLN H 1 24 GLN QG 4.000 . 4.750 2.849 1.951 4.056 . 0 0 "[ . 1 . 2]" 1
77 1 25 GLN H 1 25 GLN QG 4.000 . 4.750 3.255 1.785 4.138 0.015 10 0 "[ . 1 . 2]" 1
78 1 27 PHE H 1 27 PHE HB3 4.000 . 4.750 3.689 3.558 3.951 . 0 0 "[ . 1 . 2]" 1
79 1 27 PHE H 1 27 PHE HB2 4.000 . 4.750 2.706 2.381 2.968 . 0 0 "[ . 1 . 2]" 1
80 1 27 PHE H 1 27 PHE QD 4.000 . 4.750 2.683 1.898 3.664 . 0 0 "[ . 1 . 2]" 1
81 1 27 PHE HA 1 27 PHE QD 4.000 . 4.750 2.784 2.437 3.202 . 0 0 "[ . 1 . 2]" 1
82 1 27 PHE HA 1 27 PHE QE 5.000 . 6.000 4.676 4.347 4.953 . 0 0 "[ . 1 . 2]" 1
83 1 29 ASP H 1 29 ASP HA 3.000 . 3.500 2.934 2.798 2.949 . 0 0 "[ . 1 . 2]" 1
84 1 29 ASP H 1 29 ASP QB 3.000 . 3.500 2.719 2.373 3.104 . 0 0 "[ . 1 . 2]" 1
85 1 30 ALA H 1 30 ALA HA 3.000 . 3.500 2.849 2.804 2.967 . 0 0 "[ . 1 . 2]" 1
86 1 31 LEU H 1 31 LEU HG 5.000 . 6.000 3.704 2.049 5.369 . 0 0 "[ . 1 . 2]" 1
87 1 31 LEU HA 1 31 LEU HG 4.000 . 4.750 3.585 2.320 4.275 . 0 0 "[ . 1 . 2]" 1
88 1 31 LEU HA 1 31 LEU QD 4.000 . 4.750 2.840 1.966 3.400 . 0 0 "[ . 1 . 2]" 1
89 1 32 VAL H 1 32 VAL HB 4.000 . 4.750 3.209 2.418 3.817 . 0 0 "[ . 1 . 2]" 1
90 1 32 VAL H 1 32 VAL MG2 4.000 . 4.750 3.872 3.650 4.120 . 0 0 "[ . 1 . 2]" 1
91 1 34 GLU H 1 34 GLU QB 3.000 . 3.500 2.457 2.219 2.823 . 0 0 "[ . 1 . 2]" 1
92 1 34 GLU H 1 34 GLU QG 4.000 . 4.750 3.003 1.894 4.034 . 0 0 "[ . 1 . 2]" 1
93 1 35 GLU H 1 35 GLU HA 3.000 . 3.500 2.803 2.765 2.866 . 0 0 "[ . 1 . 2]" 1
94 1 35 GLU H 1 35 GLU QB 3.000 . 3.500 2.295 2.058 2.655 . 0 0 "[ . 1 . 2]" 1
95 1 37 MET HA 1 37 MET ME 5.000 . 6.000 3.004 2.003 4.546 . 0 0 "[ . 1 . 2]" 1
96 1 38 VAL H 1 38 VAL HB 3.000 . 3.500 2.509 2.255 2.612 . 0 0 "[ . 1 . 2]" 1
97 1 38 VAL H 1 38 VAL MG1 4.000 . 4.750 3.752 3.672 3.768 . 0 0 "[ . 1 . 2]" 1
98 1 38 VAL H 1 38 VAL MG2 4.000 . 4.750 2.147 1.955 2.623 . 0 0 "[ . 1 . 2]" 1
99 1 39 THR H 1 39 THR HA 3.000 . 3.500 2.815 2.801 2.836 . 0 0 "[ . 1 . 2]" 1
100 1 39 THR H 1 39 THR HB 4.000 . 4.750 2.607 2.105 3.549 . 0 0 "[ . 1 . 2]" 1
101 1 39 THR HA 1 39 THR HB 3.000 . 3.500 2.937 2.541 3.029 . 0 0 "[ . 1 . 2]" 1
102 1 40 VAL H 1 40 VAL HB 3.000 . 3.500 2.603 2.093 2.742 . 0 0 "[ . 1 . 2]" 1
103 1 40 VAL H 1 40 VAL MG2 4.000 . 4.750 2.145 1.937 3.025 . 0 0 "[ . 1 . 2]" 1
104 1 41 VAL H 1 41 VAL HB 3.000 . 3.500 2.595 2.396 2.714 . 0 0 "[ . 1 . 2]" 1
105 1 41 VAL H 1 41 VAL MG2 4.000 . 4.750 2.233 2.011 2.571 . 0 0 "[ . 1 . 2]" 1
106 1 42 GLU H 1 42 GLU QB 3.000 . 3.500 2.063 2.024 2.152 . 0 0 "[ . 1 . 2]" 1
107 1 42 GLU H 1 42 GLU QG 4.000 . 4.750 3.474 2.923 3.901 . 0 0 "[ . 1 . 2]" 1
108 1 43 ASP H 1 43 ASP QB 3.000 . 3.500 2.219 2.074 2.673 . 0 0 "[ . 1 . 2]" 1
109 1 44 TRP H 1 44 TRP HB3 4.000 . 4.750 3.568 3.531 3.596 . 0 0 "[ . 1 . 2]" 1
110 1 44 TRP H 1 44 TRP HB2 4.000 . 4.750 2.359 2.235 2.457 . 0 0 "[ . 1 . 2]" 1
111 1 44 TRP H 1 44 TRP HD1 5.000 . 6.000 3.514 3.207 3.896 . 0 0 "[ . 1 . 2]" 1
112 1 44 TRP H 1 44 TRP HE3 5.000 . 6.000 4.487 4.298 4.837 . 0 0 "[ . 1 . 2]" 1
113 1 44 TRP HA 1 44 TRP HD1 3.000 . 3.500 2.076 1.955 2.165 . 0 0 "[ . 1 . 2]" 1
114 1 44 TRP HA 1 44 TRP HE1 5.000 . 6.000 4.588 4.462 4.680 . 0 0 "[ . 1 . 2]" 1
115 1 44 TRP HB3 1 44 TRP HE3 4.000 . 4.750 3.284 3.066 3.379 . 0 0 "[ . 1 . 2]" 1
116 1 44 TRP HB3 1 44 TRP HZ3 5.000 . 6.000 5.557 5.365 5.643 . 0 0 "[ . 1 . 2]" 1
117 1 44 TRP HB2 1 44 TRP HE3 4.000 . 4.750 2.639 2.568 2.821 . 0 0 "[ . 1 . 2]" 1
118 1 45 MET H 1 45 MET ME 5.000 . 6.000 4.345 3.696 5.157 . 0 0 "[ . 1 . 2]" 1
119 1 45 MET H 1 45 MET QG 4.000 . 4.750 3.285 1.893 3.972 . 0 0 "[ . 1 . 2]" 1
120 1 45 MET QB 1 45 MET ME 4.000 . 4.750 2.271 1.880 3.056 . 0 0 "[ . 1 . 2]" 1
121 1 46 ASN H 1 46 ASN HA 3.000 . 3.500 2.821 2.803 2.847 . 0 0 "[ . 1 . 2]" 1
122 1 46 ASN H 1 46 ASN QD 5.000 . 6.000 3.852 2.114 4.688 . 0 0 "[ . 1 . 2]" 1
123 1 47 PHE H 1 47 PHE QD 5.000 . 6.000 4.171 4.137 4.188 . 0 0 "[ . 1 . 2]" 1
124 1 47 PHE HA 1 47 PHE QD 4.000 . 4.750 3.046 2.762 3.162 . 0 0 "[ . 1 . 2]" 1
125 1 47 PHE HA 1 47 PHE QE 5.000 . 6.000 4.738 4.587 4.838 . 0 0 "[ . 1 . 2]" 1
126 1 48 TYR H 1 48 TYR QD 4.000 . 4.750 3.196 2.680 3.438 . 0 0 "[ . 1 . 2]" 1
127 1 48 TYR HA 1 48 TYR QD 4.000 . 4.750 2.443 2.152 2.923 . 0 0 "[ . 1 . 2]" 1
128 1 49 ILE H 1 49 ILE HB 3.000 . 3.500 2.384 2.166 2.579 . 0 0 "[ . 1 . 2]" 1
129 1 49 ILE H 1 49 ILE MG 4.000 . 4.750 3.541 2.684 3.772 . 0 0 "[ . 1 . 2]" 1
130 1 49 ILE H 1 49 ILE MD 5.000 . 6.000 2.906 1.950 3.586 . 0 0 "[ . 1 . 2]" 1
131 1 49 ILE H 1 49 ILE QG 4.000 . 4.750 2.909 2.021 4.066 . 0 0 "[ . 1 . 2]" 1
132 1 49 ILE HA 1 49 ILE HB 3.000 . 3.500 2.939 2.627 3.024 . 0 0 "[ . 1 . 2]" 1
133 1 49 ILE HA 1 49 ILE MD 4.000 . 4.750 2.424 1.942 3.108 . 0 0 "[ . 1 . 2]" 1
134 1 49 ILE QG 1 49 ILE MG 3.000 . 3.500 2.165 1.966 2.352 . 0 0 "[ . 1 . 2]" 1
135 1 50 ASN H 1 50 ASN QB 3.000 . 3.500 2.173 2.037 2.652 . 0 0 "[ . 1 . 2]" 1
136 1 50 ASN H 1 50 ASN QD 5.000 . 6.000 4.110 2.509 4.722 . 0 0 "[ . 1 . 2]" 1
137 1 51 TYR H 1 51 TYR HB3 3.000 . 3.500 2.768 2.495 2.981 . 0 0 "[ . 1 . 2]" 1
138 1 51 TYR H 1 51 TYR HB2 3.000 . 3.500 2.345 2.194 2.668 . 0 0 "[ . 1 . 2]" 1
139 1 51 TYR H 1 51 TYR QD 5.000 . 6.000 4.102 3.919 4.212 . 0 0 "[ . 1 . 2]" 1
140 1 51 TYR HA 1 51 TYR HB2 3.000 . 3.500 2.594 2.454 2.708 . 0 0 "[ . 1 . 2]" 1
141 1 51 TYR HA 1 51 TYR QD 4.000 . 4.750 2.912 1.994 3.187 . 0 0 "[ . 1 . 2]" 1
142 1 51 TYR HA 1 51 TYR QE 5.000 . 6.000 4.537 4.253 4.767 . 0 0 "[ . 1 . 2]" 1
143 1 52 TYR H 1 52 TYR QD 4.000 . 4.750 3.236 2.355 3.662 . 0 0 "[ . 1 . 2]" 1
144 1 52 TYR H 1 52 TYR QE 5.000 . 6.000 5.038 4.687 5.409 . 0 0 "[ . 1 . 2]" 1
145 1 52 TYR HA 1 52 TYR QD 4.000 . 4.750 2.194 1.751 2.826 0.049 6 0 "[ . 1 . 2]" 1
146 1 52 TYR HA 1 52 TYR QE 5.000 . 6.000 4.221 4.102 4.439 . 0 0 "[ . 1 . 2]" 1
147 1 53 ARG H 1 53 ARG QB 3.000 . 3.500 2.233 2.042 2.588 . 0 0 "[ . 1 . 2]" 1
148 1 53 ARG H 1 53 ARG QG 4.000 . 4.750 3.101 1.982 4.040 . 0 0 "[ . 1 . 2]" 1
149 1 54 GLN H 1 54 GLN QB 3.000 . 3.500 2.169 2.067 2.325 . 0 0 "[ . 1 . 2]" 1
150 1 54 GLN H 1 54 GLN QG 4.000 . 4.750 3.375 2.730 4.067 . 0 0 "[ . 1 . 2]" 1
151 1 54 GLN HA 1 54 GLN QE 5.000 . 6.000 4.140 3.291 4.611 . 0 0 "[ . 1 . 2]" 1
152 1 55 GLN H 1 55 GLN QG 4.000 . 4.750 3.252 1.863 4.177 . 0 0 "[ . 1 . 2]" 1
153 1 56 VAL H 1 56 VAL HB 3.000 . 3.500 2.825 2.531 3.280 . 0 0 "[ . 1 . 2]" 1
154 1 56 VAL H 1 56 VAL MG1 4.000 . 4.750 3.873 3.764 4.016 . 0 0 "[ . 1 . 2]" 1
155 1 56 VAL H 1 56 VAL MG2 3.000 . 3.500 2.344 1.914 2.758 . 0 0 "[ . 1 . 2]" 1
156 1 56 VAL HA 1 56 VAL HB 3.000 . 3.500 2.998 2.913 3.025 . 0 0 "[ . 1 . 2]" 1
157 1 57 THR H 1 57 THR HB 4.000 . 4.750 3.657 2.576 4.213 . 0 0 "[ . 1 . 2]" 1
158 1 57 THR H 1 57 THR MG 4.000 . 4.750 3.266 2.018 4.097 . 0 0 "[ . 1 . 2]" 1
159 1 59 GLU H 1 59 GLU QG 4.000 . 4.750 3.124 1.939 3.964 . 0 0 "[ . 1 . 2]" 1
160 1 61 GLN H 1 61 GLN QB 3.000 . 3.500 2.476 2.189 2.768 . 0 0 "[ . 1 . 2]" 1
161 1 61 GLN H 1 61 GLN QG 4.000 . 4.750 2.799 1.861 3.993 . 0 0 "[ . 1 . 2]" 1
162 1 61 GLN H 1 61 GLN QE 5.000 . 6.000 4.674 3.678 5.719 . 0 0 "[ . 1 . 2]" 1
163 1 62 GLU H 1 62 GLU QG 4.000 . 4.750 3.632 2.698 4.033 . 0 0 "[ . 1 . 2]" 1
164 1 63 ARG H 1 63 ARG HE 4.000 . 4.750 4.182 2.129 4.756 0.006 2 0 "[ . 1 . 2]" 1
165 1 63 ARG H 1 63 ARG QG 4.000 . 4.750 3.369 1.919 4.001 . 0 0 "[ . 1 . 2]" 1
166 1 63 ARG H 1 63 ARG QD 4.000 . 4.750 4.240 3.045 4.754 0.004 1 0 "[ . 1 . 2]" 1
167 1 63 ARG HA 1 63 ARG QD 4.000 . 4.750 3.827 3.077 4.512 . 0 0 "[ . 1 . 2]" 1
168 1 63 ARG QB 1 63 ARG QD 3.000 . 3.500 2.260 1.969 2.494 . 0 0 "[ . 1 . 2]" 1
169 1 64 ASP H 1 64 ASP QB 3.000 . 3.500 2.195 2.098 2.272 . 0 0 "[ . 1 . 2]" 1
170 1 65 LYS H 1 65 LYS HA 3.000 . 3.500 2.832 2.760 2.873 . 0 0 "[ . 1 . 2]" 1
171 1 65 LYS H 1 65 LYS QB 3.000 . 3.500 2.218 2.092 2.456 . 0 0 "[ . 1 . 2]" 1
172 1 65 LYS H 1 65 LYS QG 4.000 . 4.750 3.766 2.429 4.083 . 0 0 "[ . 1 . 2]" 1
173 1 65 LYS H 1 65 LYS QD 4.000 . 4.750 4.158 2.295 4.599 . 0 0 "[ . 1 . 2]" 1
174 1 65 LYS H 1 65 LYS QE 5.000 . 6.000 5.303 4.067 5.877 . 0 0 "[ . 1 . 2]" 1
175 1 65 LYS HA 1 65 LYS QG 3.000 . 3.500 2.324 2.115 2.529 . 0 0 "[ . 1 . 2]" 1
176 1 65 LYS HA 1 65 LYS QD 4.000 . 4.750 3.021 2.377 3.982 . 0 0 "[ . 1 . 2]" 1
177 1 65 LYS QB 1 65 LYS QD 3.000 . 3.500 2.135 1.911 2.450 . 0 0 "[ . 1 . 2]" 1
178 1 65 LYS QB 1 65 LYS QE 4.000 . 4.750 3.178 2.528 3.730 . 0 0 "[ . 1 . 2]" 1
179 1 65 LYS QE 1 65 LYS QG 3.000 . 3.500 2.111 1.961 2.469 . 0 0 "[ . 1 . 2]" 1
180 1 67 LEU H 1 67 LEU HA 3.000 . 3.500 2.827 2.749 2.873 . 0 0 "[ . 1 . 2]" 1
181 1 67 LEU H 1 67 LEU HB3 4.000 . 4.750 3.480 3.370 3.558 . 0 0 "[ . 1 . 2]" 1
182 1 67 LEU H 1 67 LEU HB2 3.000 . 3.500 2.188 2.101 2.305 . 0 0 "[ . 1 . 2]" 1
183 1 67 LEU H 1 67 LEU HG 4.000 . 4.750 3.581 2.647 4.207 . 0 0 "[ . 1 . 2]" 1
184 1 67 LEU H 1 67 LEU MD1 5.000 . 6.000 3.795 2.362 4.223 . 0 0 "[ . 1 . 2]" 1
185 1 67 LEU H 1 67 LEU MD2 5.000 . 6.000 3.007 1.950 4.184 . 0 0 "[ . 1 . 2]" 1
186 1 67 LEU HA 1 67 LEU HB2 3.000 . 3.500 2.964 2.915 3.006 . 0 0 "[ . 1 . 2]" 1
187 1 67 LEU HA 1 67 LEU HG 4.000 . 4.750 3.210 2.203 3.677 . 0 0 "[ . 1 . 2]" 1
188 1 67 LEU HA 1 67 LEU MD2 3.000 . 3.500 2.288 1.922 3.531 0.031 6 0 "[ . 1 . 2]" 1
189 1 67 LEU HB3 1 67 LEU HG 3.000 . 3.500 2.692 2.394 3.018 . 0 0 "[ . 1 . 2]" 1
190 1 67 LEU HB2 1 67 LEU HG 3.000 . 3.500 2.482 2.377 2.978 . 0 0 "[ . 1 . 2]" 1
191 1 68 GLN H 1 68 GLN HA 3.000 . 3.500 2.839 2.813 2.872 . 0 0 "[ . 1 . 2]" 1
192 1 68 GLN H 1 68 GLN QB 3.000 . 3.500 2.334 2.231 2.487 . 0 0 "[ . 1 . 2]" 1
193 1 68 GLN H 1 68 GLN QG 4.000 . 4.750 3.004 2.246 3.992 . 0 0 "[ . 1 . 2]" 1
194 1 69 GLU H 1 69 GLU HA 3.000 . 3.500 2.833 2.800 2.858 . 0 0 "[ . 1 . 2]" 1
195 1 69 GLU H 1 69 GLU QB 3.000 . 3.500 2.233 2.054 2.648 . 0 0 "[ . 1 . 2]" 1
196 1 69 GLU H 1 69 GLU QG 4.000 . 4.750 3.254 1.901 4.046 . 0 0 "[ . 1 . 2]" 1
197 1 70 LEU H 1 70 LEU HA 3.000 . 3.500 2.828 2.784 2.869 . 0 0 "[ . 1 . 2]" 1
198 1 70 LEU H 1 70 LEU HG 4.000 . 4.750 4.432 3.055 4.604 . 0 0 "[ . 1 . 2]" 1
199 1 70 LEU H 1 70 LEU QB 3.000 . 3.500 2.120 2.045 2.225 . 0 0 "[ . 1 . 2]" 1
200 1 70 LEU H 1 70 LEU QD 4.000 . 4.750 3.382 3.176 3.696 . 0 0 "[ . 1 . 2]" 1
201 1 70 LEU HA 1 70 LEU HG 4.000 . 4.750 3.184 2.251 3.698 . 0 0 "[ . 1 . 2]" 1
202 1 70 LEU HA 1 70 LEU QD 3.000 . 3.500 2.142 1.838 2.709 . 0 0 "[ . 1 . 2]" 1
203 1 71 ARG H 1 71 ARG QB 3.000 . 3.500 2.208 2.050 2.545 . 0 0 "[ . 1 . 2]" 1
204 1 71 ARG H 1 71 ARG QG 4.000 . 4.750 3.686 1.981 4.052 . 0 0 "[ . 1 . 2]" 1
205 1 71 ARG QB 1 71 ARG QD 3.000 . 3.500 2.143 1.945 2.379 . 0 0 "[ . 1 . 2]" 1
206 1 72 GLN H 1 72 GLN HA 3.000 . 3.500 2.825 2.796 2.869 . 0 0 "[ . 1 . 2]" 1
207 1 72 GLN H 1 72 GLN QB 3.000 . 3.500 2.356 2.240 2.764 . 0 0 "[ . 1 . 2]" 1
208 1 72 GLN H 1 72 GLN QG 4.000 . 4.750 3.380 1.904 4.026 . 0 0 "[ . 1 . 2]" 1
209 1 73 GLU H 1 73 GLU QB 3.000 . 3.500 2.309 2.119 2.493 . 0 0 "[ . 1 . 2]" 1
210 1 73 GLU H 1 73 GLU QG 3.000 . 3.500 2.639 2.067 3.519 0.019 18 0 "[ . 1 . 2]" 1
211 1 74 LEU H 1 74 LEU HG 4.000 . 4.750 2.637 2.272 3.591 . 0 0 "[ . 1 . 2]" 1
212 1 74 LEU H 1 74 LEU MD1 5.000 . 6.000 3.507 3.102 4.313 . 0 0 "[ . 1 . 2]" 1
213 1 74 LEU H 1 74 LEU MD2 5.000 . 6.000 3.544 2.121 4.027 . 0 0 "[ . 1 . 2]" 1
214 1 74 LEU HA 1 74 LEU MD1 4.000 . 4.750 3.732 2.885 3.891 . 0 0 "[ . 1 . 2]" 1
215 1 74 LEU HA 1 74 LEU MD2 4.000 . 4.750 2.248 1.894 2.621 . 0 0 "[ . 1 . 2]" 1
216 1 75 ASN H 1 75 ASN HA 3.000 . 3.500 2.821 2.789 2.842 . 0 0 "[ . 1 . 2]" 1
217 1 75 ASN H 1 75 ASN QB 3.000 . 3.500 2.226 2.066 2.768 . 0 0 "[ . 1 . 2]" 1
218 1 75 ASN H 1 75 ASN QD 5.000 . 6.000 3.172 2.147 4.597 . 0 0 "[ . 1 . 2]" 1
219 1 76 THR H 1 76 THR HA 3.000 . 3.500 2.866 2.794 2.906 . 0 0 "[ . 1 . 2]" 1
220 1 76 THR H 1 76 THR HB 4.000 . 4.750 2.688 2.288 3.644 . 0 0 "[ . 1 . 2]" 1
221 1 77 LEU H 1 77 LEU HA 3.000 . 3.500 2.875 2.782 2.911 . 0 0 "[ . 1 . 2]" 1
222 1 77 LEU H 1 77 LEU HB3 4.000 . 4.750 3.569 3.512 3.608 . 0 0 "[ . 1 . 2]" 1
223 1 77 LEU H 1 77 LEU HB2 4.000 . 4.750 2.345 2.225 2.556 . 0 0 "[ . 1 . 2]" 1
224 1 77 LEU H 1 77 LEU HG 4.000 . 4.750 2.831 2.344 3.531 . 0 0 "[ . 1 . 2]" 1
225 1 77 LEU H 1 77 LEU MD1 5.000 . 6.000 3.986 3.556 4.318 . 0 0 "[ . 1 . 2]" 1
226 1 77 LEU H 1 77 LEU MD2 5.000 . 6.000 3.280 2.228 3.805 . 0 0 "[ . 1 . 2]" 1
227 1 77 LEU HA 1 77 LEU MD2 3.000 . 3.500 1.981 1.897 2.193 . 0 0 "[ . 1 . 2]" 1
228 1 77 LEU HB3 1 77 LEU HG 3.000 . 3.500 2.982 2.745 3.020 . 0 0 "[ . 1 . 2]" 1
229 1 78 ALA H 1 78 ALA HA 3.000 . 3.500 2.868 2.813 2.896 . 0 0 "[ . 1 . 2]" 1
230 1 79 ASN H 1 79 ASN QD 5.000 . 6.000 3.405 2.706 4.612 . 0 0 "[ . 1 . 2]" 1
231 1 81 PHE H 1 81 PHE HB3 4.000 . 4.750 2.444 2.278 2.717 . 0 0 "[ . 1 . 2]" 1
232 1 81 PHE H 1 81 PHE HB2 4.000 . 4.750 2.610 2.314 2.767 . 0 0 "[ . 1 . 2]" 1
233 1 81 PHE H 1 81 PHE QD 4.000 . 4.750 4.167 4.061 4.190 . 0 0 "[ . 1 . 2]" 1
234 1 81 PHE HA 1 81 PHE QD 4.000 . 4.750 2.165 1.961 2.981 . 0 0 "[ . 1 . 2]" 1
235 1 81 PHE HA 1 81 PHE QE 5.000 . 6.000 4.448 4.277 4.587 . 0 0 "[ . 1 . 2]" 1
236 1 81 PHE HB2 1 81 PHE QD 3.000 . 3.500 2.698 2.242 2.760 . 0 0 "[ . 1 . 2]" 1
237 1 82 LEU H 1 82 LEU HG 4.000 . 4.750 4.107 2.872 4.468 . 0 0 "[ . 1 . 2]" 1
238 1 82 LEU H 1 82 LEU MD1 5.000 . 6.000 4.034 2.395 4.326 . 0 0 "[ . 1 . 2]" 1
239 1 82 LEU H 1 82 LEU MD2 5.000 . 6.000 3.404 2.461 4.155 . 0 0 "[ . 1 . 2]" 1
240 1 82 LEU HA 1 82 LEU HG 3.000 . 3.500 3.128 2.298 3.585 0.085 3 0 "[ . 1 . 2]" 1
241 1 82 LEU HA 1 82 LEU MD2 4.000 . 4.750 2.415 1.929 3.677 . 0 0 "[ . 1 . 2]" 1
242 1 82 LEU QB 1 82 LEU MD2 3.000 . 3.500 2.225 2.079 2.365 . 0 0 "[ . 1 . 2]" 1
243 1 83 ALA H 1 83 ALA HA 3.000 . 3.500 2.854 2.824 2.872 . 0 0 "[ . 1 . 2]" 1
244 1 84 LYS H 1 84 LYS QG 4.000 . 4.750 3.588 2.295 4.013 . 0 0 "[ . 1 . 2]" 1
245 1 85 TYR H 1 85 TYR HA 3.000 . 3.500 2.845 2.805 2.869 . 0 0 "[ . 1 . 2]" 1
246 1 85 TYR H 1 85 TYR HB3 4.000 . 4.750 2.900 2.693 3.118 . 0 0 "[ . 1 . 2]" 1
247 1 85 TYR H 1 85 TYR HB2 4.000 . 4.750 2.305 2.179 2.447 . 0 0 "[ . 1 . 2]" 1
248 1 85 TYR H 1 85 TYR QD 4.000 . 4.750 4.007 3.756 4.170 . 0 0 "[ . 1 . 2]" 1
249 1 85 TYR HA 1 85 TYR QD 4.000 . 4.750 2.293 1.771 2.984 0.029 3 0 "[ . 1 . 2]" 1
250 1 85 TYR HA 1 85 TYR QE 5.000 . 6.000 4.248 4.085 4.448 . 0 0 "[ . 1 . 2]" 1
251 1 86 ARG H 1 86 ARG QB 3.000 . 3.500 2.181 2.043 2.387 . 0 0 "[ . 1 . 2]" 1
252 1 86 ARG H 1 86 ARG QG 3.000 . 3.500 3.032 2.393 3.547 0.047 6 0 "[ . 1 . 2]" 1
253 1 86 ARG HA 1 86 ARG QG 3.000 . 3.500 2.641 2.052 3.440 . 0 0 "[ . 1 . 2]" 1
254 1 86 ARG QB 1 86 ARG QD 3.000 . 3.500 2.192 2.006 2.572 . 0 0 "[ . 1 . 2]" 1
255 1 87 ASP H 1 87 ASP QB 3.000 . 3.500 2.162 2.086 2.226 . 0 0 "[ . 1 . 2]" 1
256 1 88 PHE H 1 88 PHE HB3 4.000 . 4.750 2.523 2.070 2.847 . 0 0 "[ . 1 . 2]" 1
257 1 88 PHE H 1 88 PHE HB2 4.000 . 4.750 2.518 2.222 3.158 . 0 0 "[ . 1 . 2]" 1
258 1 88 PHE H 1 88 PHE QD 4.000 . 4.750 4.123 3.460 4.194 . 0 0 "[ . 1 . 2]" 1
259 1 88 PHE HA 1 88 PHE QD 4.000 . 4.750 2.885 2.063 3.463 . 0 0 "[ . 1 . 2]" 1
260 1 88 PHE HA 1 88 PHE QE 5.000 . 6.000 4.672 4.278 5.270 . 0 0 "[ . 1 . 2]" 1
261 1 88 PHE HB3 1 88 PHE QD 3.000 . 3.500 2.541 2.380 2.758 . 0 0 "[ . 1 . 2]" 1
262 1 88 PHE HB2 1 88 PHE QD 3.000 . 3.500 2.384 2.267 2.753 . 0 0 "[ . 1 . 2]" 1
263 1 89 LEU H 1 89 LEU HG 4.000 . 4.750 3.548 1.857 4.687 . 0 0 "[ . 1 . 2]" 1
264 1 89 LEU HA 1 89 LEU HG 4.000 . 4.750 3.297 2.378 4.258 . 0 0 "[ . 1 . 2]" 1
265 1 89 LEU HA 1 89 LEU QD 4.000 . 4.750 2.388 1.784 3.450 0.016 11 0 "[ . 1 . 2]" 1
266 1 90 LYS H 1 90 LYS QB 3.000 . 3.500 2.212 2.127 2.421 . 0 0 "[ . 1 . 2]" 1
267 1 90 LYS H 1 90 LYS QG 4.000 . 4.750 3.492 2.415 4.087 . 0 0 "[ . 1 . 2]" 1
268 1 90 LYS H 1 90 LYS QD 4.000 . 4.750 3.036 2.279 4.020 . 0 0 "[ . 1 . 2]" 1
269 1 90 LYS HA 1 90 LYS QG 3.000 . 3.500 2.377 2.060 2.948 . 0 0 "[ . 1 . 2]" 1
270 1 90 LYS QB 1 90 LYS QD 3.000 . 3.500 2.240 1.962 2.509 . 0 0 "[ . 1 . 2]" 1
271 1 92 HIS HA 1 92 HIS HD1 5.000 . 6.000 3.887 2.205 4.619 . 0 0 "[ . 1 . 2]" 1
272 1 93 GLU H 1 93 GLU QB 3.000 . 3.500 2.641 2.018 3.229 . 0 0 "[ . 1 . 2]" 1
273 1 94 LEU H 1 94 LEU HG 3.000 . 3.500 2.976 1.949 3.645 0.145 4 0 "[ . 1 . 2]" 1
274 1 94 LEU H 1 94 LEU QB 3.000 . 3.500 2.923 2.090 3.439 . 0 0 "[ . 1 . 2]" 1
275 1 94 LEU H 1 94 LEU QD 4.000 . 4.750 2.849 1.747 3.909 0.053 4 0 "[ . 1 . 2]" 1
276 1 94 LEU HA 1 94 LEU HG 4.000 . 4.750 3.267 2.323 4.241 . 0 0 "[ . 1 . 2]" 1
277 1 94 LEU HA 1 94 LEU QD 4.000 . 4.750 2.711 1.930 3.451 . 0 0 "[ . 1 . 2]" 1
278 1 97 HIS H 1 97 HIS QB 3.000 . 3.500 2.826 2.051 3.498 . 0 0 "[ . 1 . 2]" 1
279 1 1 SER HA 1 2 ALA H 4.000 . 4.750 2.856 2.136 3.568 . 0 0 "[ . 1 . 2]" 1
280 1 2 ALA H 1 3 LEU H 4.000 . 4.750 3.407 1.890 4.631 . 0 0 "[ . 1 . 2]" 1
281 1 2 ALA HA 1 3 LEU H 3.000 . 3.500 2.707 2.123 3.552 0.052 1 0 "[ . 1 . 2]" 1
282 1 2 ALA MB 1 3 LEU H 5.000 . 6.000 2.980 1.827 3.728 . 0 0 "[ . 1 . 2]" 1
283 1 3 LEU H 1 4 LEU H 5.000 . 6.000 3.504 1.744 4.608 0.056 4 0 "[ . 1 . 2]" 1
284 1 3 LEU HA 1 4 LEU H 3.000 . 3.500 2.732 2.135 3.551 0.051 20 0 "[ . 1 . 2]" 1
285 1 3 LEU HA 1 4 LEU HG 5.000 . 6.000 4.536 3.092 6.066 0.066 20 0 "[ . 1 . 2]" 1
286 1 3 LEU HG 1 4 LEU H 5.000 . 6.000 4.164 1.925 5.779 . 0 0 "[ . 1 . 2]" 1
287 1 3 LEU QB 1 4 LEU H 4.000 . 4.750 3.176 1.864 4.058 . 0 0 "[ . 1 . 2]" 1
288 1 3 LEU QD 1 4 LEU H 5.000 . 6.000 3.380 1.930 4.565 . 0 0 "[ . 1 . 2]" 1
289 1 4 LEU HA 1 5 LYS H 3.000 . 3.500 2.358 2.118 3.540 0.040 8 0 "[ . 1 . 2]" 1
290 1 4 LEU HG 1 5 LYS H 5.000 . 6.000 4.704 4.100 5.115 . 0 0 "[ . 1 . 2]" 1
291 1 4 LEU QB 1 5 LYS H 4.000 . 4.750 3.385 2.719 4.069 . 0 0 "[ . 1 . 2]" 1
292 1 4 LEU QD 1 5 LYS H 5.000 . 6.000 3.944 3.245 4.582 . 0 0 "[ . 1 . 2]" 1
293 1 5 LYS H 1 6 ALA H 4.000 . 4.750 2.830 2.770 2.934 . 0 0 "[ . 1 . 2]" 1
294 1 5 LYS HA 1 6 ALA H 4.000 . 4.750 3.478 3.441 3.525 . 0 0 "[ . 1 . 2]" 1
295 1 5 LYS QB 1 6 ALA H 3.000 . 3.500 3.062 2.566 3.548 0.048 7 0 "[ . 1 . 2]" 1
296 1 5 LYS QG 1 6 ALA H 4.000 . 4.750 3.532 1.954 4.636 . 0 0 "[ . 1 . 2]" 1
297 1 5 LYS QD 1 6 ALA H 4.000 . 4.750 4.055 2.624 4.764 0.014 12 0 "[ . 1 . 2]" 1
298 1 6 ALA H 1 7 ASN H 3.000 . 3.500 2.753 2.593 2.854 . 0 0 "[ . 1 . 2]" 1
299 1 6 ALA HA 1 7 ASN H 4.000 . 4.750 3.530 3.494 3.552 . 0 0 "[ . 1 . 2]" 1
300 1 6 ALA MB 1 7 ASN H 5.000 . 6.000 2.653 2.508 2.841 . 0 0 "[ . 1 . 2]" 1
301 1 7 ASN H 1 8 LYS H 3.000 . 3.500 2.569 2.393 2.712 . 0 0 "[ . 1 . 2]" 1
302 1 7 ASN QB 1 8 LYS H 4.000 . 4.750 2.841 2.445 3.532 . 0 0 "[ . 1 . 2]" 1
303 1 8 LYS H 1 9 ASP H 3.000 . 3.500 2.564 2.396 2.694 . 0 0 "[ . 1 . 2]" 1
304 1 8 LYS QB 1 9 ASP H 3.000 . 3.500 2.918 2.501 3.533 0.033 11 0 "[ . 1 . 2]" 1
305 1 8 LYS QG 1 9 ASP H 4.000 . 4.750 3.593 1.960 4.614 . 0 0 "[ . 1 . 2]" 1
306 1 8 LYS QD 1 9 ASP H 5.000 . 6.000 4.252 2.422 5.290 . 0 0 "[ . 1 . 2]" 1
307 1 9 ASP H 1 10 LEU H 4.000 . 4.750 2.615 2.425 2.764 . 0 0 "[ . 1 . 2]" 1
308 1 9 ASP HA 1 10 LEU H 5.000 . 6.000 3.545 3.507 3.572 . 0 0 "[ . 1 . 2]" 1
309 1 9 ASP QB 1 10 LEU H 4.000 . 4.750 2.533 2.367 3.248 . 0 0 "[ . 1 . 2]" 1
310 1 10 LEU H 1 11 ILE H 3.000 . 3.500 2.677 2.444 2.768 . 0 0 "[ . 1 . 2]" 1
311 1 10 LEU HA 1 11 ILE H 4.000 . 4.750 3.554 3.525 3.565 . 0 0 "[ . 1 . 2]" 1
312 1 10 LEU HG 1 11 ILE H 5.000 . 6.000 4.840 3.940 5.146 . 0 0 "[ . 1 . 2]" 1
313 1 10 LEU MD1 1 11 ILE H 5.000 . 6.000 4.195 3.434 4.908 . 0 0 "[ . 1 . 2]" 1
314 1 10 LEU QB 1 11 ILE H 3.000 . 3.500 2.581 2.459 2.862 . 0 0 "[ . 1 . 2]" 1
315 1 11 ILE H 1 12 SER H 3.000 . 3.500 2.795 2.758 2.835 . 0 0 "[ . 1 . 2]" 1
316 1 11 ILE HA 1 12 SER H 5.000 . 6.000 3.585 3.564 3.631 . 0 0 "[ . 1 . 2]" 1
317 1 11 ILE HB 1 12 SER H 3.000 . 3.500 2.677 2.363 3.579 0.079 19 0 "[ . 1 . 2]" 1
318 1 11 ILE MG 1 12 SER H 5.000 . 6.000 2.911 1.786 3.438 0.014 19 0 "[ . 1 . 2]" 1
319 1 11 ILE MD 1 12 SER H 5.000 . 6.000 4.293 3.717 4.727 . 0 0 "[ . 1 . 2]" 1
320 1 11 ILE QG 1 12 SER H 5.000 . 6.000 4.057 3.839 4.480 . 0 0 "[ . 1 . 2]" 1
321 1 12 SER H 1 13 ALA H 3.000 . 3.500 2.671 2.582 2.781 . 0 0 "[ . 1 . 2]" 1
322 1 12 SER H 1 13 ALA MB 5.000 . 6.000 4.346 4.243 4.451 . 0 0 "[ . 1 . 2]" 1
323 1 12 SER HA 1 13 ALA H 4.000 . 4.750 3.539 3.519 3.558 . 0 0 "[ . 1 . 2]" 1
324 1 12 SER QB 1 13 ALA H 3.000 . 3.500 2.852 2.566 3.447 . 0 0 "[ . 1 . 2]" 1
325 1 12 SER QB 1 13 ALA MB 4.000 . 4.750 4.060 3.765 4.612 . 0 0 "[ . 1 . 2]" 1
326 1 13 ALA H 1 14 GLY H 3.000 . 3.500 2.637 2.559 2.682 . 0 0 "[ . 1 . 2]" 1
327 1 13 ALA HA 1 14 GLY H 4.000 . 4.750 3.537 3.507 3.579 . 0 0 "[ . 1 . 2]" 1
328 1 13 ALA MB 1 14 GLY H 4.000 . 4.750 2.544 2.437 2.668 . 0 0 "[ . 1 . 2]" 1
329 1 14 GLY H 1 15 LEU H 3.000 . 3.500 2.535 2.449 2.606 . 0 0 "[ . 1 . 2]" 1
330 1 14 GLY QA 1 15 LEU H 4.000 . 4.750 2.756 2.702 2.807 . 0 0 "[ . 1 . 2]" 1
331 1 15 LEU H 1 16 LYS H 3.000 . 3.500 2.573 2.493 2.619 . 0 0 "[ . 1 . 2]" 1
332 1 15 LEU HA 1 16 LYS H 4.000 . 4.750 3.551 3.530 3.576 . 0 0 "[ . 1 . 2]" 1
333 1 15 LEU HB3 1 16 LYS H 3.000 . 3.500 3.102 3.061 3.165 . 0 0 "[ . 1 . 2]" 1
334 1 15 LEU HB2 1 16 LYS H 4.000 . 4.750 2.987 2.936 3.038 . 0 0 "[ . 1 . 2]" 1
335 1 15 LEU HG 1 16 LYS H 5.000 . 6.000 4.981 4.936 5.071 . 0 0 "[ . 1 . 2]" 1
336 1 15 LEU QD 1 16 LYS H 5.000 . 6.000 4.067 3.990 4.113 . 0 0 "[ . 1 . 2]" 1
337 1 16 LYS H 1 17 GLU H 3.000 . 3.500 2.720 2.613 2.809 . 0 0 "[ . 1 . 2]" 1
338 1 16 LYS HA 1 17 GLU H 4.000 . 4.750 3.559 3.538 3.572 . 0 0 "[ . 1 . 2]" 1
339 1 16 LYS QB 1 17 GLU H 3.000 . 3.500 2.732 2.308 3.397 . 0 0 "[ . 1 . 2]" 1
340 1 16 LYS QG 1 17 GLU H 3.000 . 3.500 2.837 1.777 3.518 0.023 19 0 "[ . 1 . 2]" 1
341 1 16 LYS QD 1 17 GLU H 3.000 . 3.500 3.256 2.216 3.630 0.130 19 0 "[ . 1 . 2]" 1
342 1 17 GLU H 1 18 PHE H 3.000 . 3.500 2.686 2.535 2.797 . 0 0 "[ . 1 . 2]" 1
343 1 17 GLU HA 1 18 PHE H 4.000 . 4.750 3.529 3.496 3.549 . 0 0 "[ . 1 . 2]" 1
344 1 17 GLU QB 1 18 PHE H 4.000 . 4.750 2.663 2.460 3.413 . 0 0 "[ . 1 . 2]" 1
345 1 17 GLU QG 1 18 PHE H 5.000 . 6.000 4.164 2.133 4.584 . 0 0 "[ . 1 . 2]" 1
346 1 18 PHE H 1 19 SER H 3.000 . 3.500 2.722 2.530 2.821 . 0 0 "[ . 1 . 2]" 1
347 1 18 PHE HA 1 19 SER H 3.000 . 3.500 3.551 3.527 3.566 0.066 7 0 "[ . 1 . 2]" 1
348 1 18 PHE HB3 1 19 SER H 4.000 . 4.750 2.556 2.408 2.857 . 0 0 "[ . 1 . 2]" 1
349 1 18 PHE HB2 1 19 SER H 4.000 . 4.750 3.670 3.483 3.884 . 0 0 "[ . 1 . 2]" 1
350 1 18 PHE QD 1 19 SER H 5.000 . 6.000 3.986 3.654 4.217 . 0 0 "[ . 1 . 2]" 1
351 1 19 SER H 1 20 VAL H 4.000 . 4.750 2.695 2.551 2.813 . 0 0 "[ . 1 . 2]" 1
352 1 19 SER H 1 20 VAL MG2 5.000 . 6.000 3.874 3.752 4.012 . 0 0 "[ . 1 . 2]" 1
353 1 19 SER HA 1 20 VAL H 5.000 . 6.000 3.541 3.526 3.553 . 0 0 "[ . 1 . 2]" 1
354 1 19 SER QB 1 20 VAL H 4.000 . 4.750 2.973 2.509 3.436 . 0 0 "[ . 1 . 2]" 1
355 1 20 VAL H 1 21 LEU H 4.000 . 4.750 2.517 2.367 2.640 . 0 0 "[ . 1 . 2]" 1
356 1 20 VAL HA 1 21 LEU H 5.000 . 6.000 3.493 3.448 3.524 . 0 0 "[ . 1 . 2]" 1
357 1 20 VAL HB 1 21 LEU H 3.000 . 3.500 2.683 2.541 2.903 . 0 0 "[ . 1 . 2]" 1
358 1 20 VAL MG1 1 21 LEU H 4.000 . 4.750 3.849 3.738 4.020 . 0 0 "[ . 1 . 2]" 1
359 1 20 VAL MG2 1 21 LEU H 3.000 . 3.500 3.535 3.510 3.571 0.071 16 0 "[ . 1 . 2]" 1
360 1 21 LEU H 1 22 LEU H 4.000 . 4.750 2.649 2.422 2.825 . 0 0 "[ . 1 . 2]" 1
361 1 21 LEU HA 1 22 LEU H 5.000 . 6.000 3.544 3.502 3.562 . 0 0 "[ . 1 . 2]" 1
362 1 21 LEU HB3 1 22 LEU H 4.000 . 4.750 2.660 2.466 3.031 . 0 0 "[ . 1 . 2]" 1
363 1 21 LEU HB2 1 22 LEU H 4.000 . 4.750 3.946 3.337 4.122 . 0 0 "[ . 1 . 2]" 1
364 1 21 LEU HG 1 22 LEU H 5.000 . 6.000 3.338 2.653 5.009 . 0 0 "[ . 1 . 2]" 1
365 1 21 LEU MD1 1 22 LEU H 5.000 . 6.000 3.859 1.962 4.387 . 0 0 "[ . 1 . 2]" 1
366 1 21 LEU MD2 1 22 LEU H 5.000 . 6.000 4.201 3.531 4.385 . 0 0 "[ . 1 . 2]" 1
367 1 22 LEU H 1 23 ASN H 4.000 . 4.750 2.635 2.508 2.779 . 0 0 "[ . 1 . 2]" 1
368 1 22 LEU H 1 23 ASN QB 5.000 . 6.000 4.480 4.268 4.816 . 0 0 "[ . 1 . 2]" 1
369 1 22 LEU HA 1 23 ASN H 5.000 . 6.000 3.535 3.504 3.567 . 0 0 "[ . 1 . 2]" 1
370 1 22 LEU HG 1 23 ASN H 5.000 . 6.000 4.354 3.881 5.161 . 0 0 "[ . 1 . 2]" 1
371 1 22 LEU MD1 1 23 ASN H 5.000 . 6.000 4.559 4.135 4.910 . 0 0 "[ . 1 . 2]" 1
372 1 22 LEU QB 1 23 ASN H 4.000 . 4.750 2.605 2.292 2.785 . 0 0 "[ . 1 . 2]" 1
373 1 23 ASN H 1 24 GLN H 4.000 . 4.750 2.560 2.294 2.771 . 0 0 "[ . 1 . 2]" 1
374 1 23 ASN HA 1 24 GLN H 4.000 . 4.750 3.450 3.298 3.539 . 0 0 "[ . 1 . 2]" 1
375 1 23 ASN QB 1 24 GLN H 4.000 . 4.750 3.126 2.552 3.737 . 0 0 "[ . 1 . 2]" 1
376 1 24 GLN H 1 25 GLN H 3.000 . 3.500 3.123 2.783 3.631 0.131 10 0 "[ . 1 . 2]" 1
377 1 24 GLN HA 1 25 GLN H 4.000 . 4.750 3.026 2.478 3.616 . 0 0 "[ . 1 . 2]" 1
378 1 24 GLN QB 1 25 GLN H 4.000 . 4.750 3.756 1.937 4.039 . 0 0 "[ . 1 . 2]" 1
379 1 25 GLN HA 1 26 VAL H 3.000 . 3.500 2.505 2.169 2.611 . 0 0 "[ . 1 . 2]" 1
380 1 26 VAL HA 1 27 PHE QD 4.000 . 4.750 4.484 3.131 4.794 0.044 12 0 "[ . 1 . 2]" 1
381 1 26 VAL QG 1 27 PHE H 4.000 . 4.750 3.393 2.607 3.707 . 0 0 "[ . 1 . 2]" 1
382 1 27 PHE HA 1 28 ASN H 4.000 . 4.750 2.243 2.112 2.468 . 0 0 "[ . 1 . 2]" 1
383 1 27 PHE HB3 1 28 ASN H 5.000 . 6.000 3.829 2.282 4.106 . 0 0 "[ . 1 . 2]" 1
384 1 27 PHE HB2 1 28 ASN H 5.000 . 6.000 4.341 3.592 4.511 . 0 0 "[ . 1 . 2]" 1
385 1 28 ASN HA 1 29 ASP H 3.000 . 3.500 3.508 3.064 3.568 0.068 17 0 "[ . 1 . 2]" 1
386 1 28 ASN QB 1 29 ASP H 4.000 . 4.750 2.481 1.852 3.615 . 0 0 "[ . 1 . 2]" 1
387 1 29 ASP HA 1 30 ALA H 3.000 . 3.500 2.244 2.067 2.584 . 0 0 "[ . 1 . 2]" 1
388 1 29 ASP HA 1 30 ALA MB 5.000 . 6.000 3.978 3.798 4.093 . 0 0 "[ . 1 . 2]" 1
389 1 29 ASP QB 1 30 ALA H 4.000 . 4.750 3.495 2.526 3.975 . 0 0 "[ . 1 . 2]" 1
390 1 30 ALA HA 1 31 LEU H 4.000 . 4.750 2.213 2.019 2.466 . 0 0 "[ . 1 . 2]" 1
391 1 30 ALA MB 1 31 LEU H 5.000 . 6.000 3.186 2.281 3.722 . 0 0 "[ . 1 . 2]" 1
392 1 31 LEU H 1 32 VAL H 4.000 . 4.750 3.097 1.777 4.486 0.023 19 0 "[ . 1 . 2]" 1
393 1 31 LEU HA 1 32 VAL H 3.000 . 3.500 2.838 2.198 3.552 0.052 4 0 "[ . 1 . 2]" 1
394 1 31 LEU QB 1 32 VAL H 4.000 . 4.750 3.183 1.935 4.049 . 0 0 "[ . 1 . 2]" 1
395 1 31 LEU QD 1 32 VAL H 5.000 . 6.000 3.334 1.703 4.341 0.097 4 0 "[ . 1 . 2]" 1
396 1 32 VAL H 1 33 SER H 5.000 . 6.000 3.548 2.067 4.641 . 0 0 "[ . 1 . 2]" 1
397 1 32 VAL HA 1 33 SER H 4.000 . 4.750 2.879 2.155 3.577 . 0 0 "[ . 1 . 2]" 1
398 1 32 VAL HB 1 33 SER H 4.000 . 4.750 3.940 3.528 4.489 . 0 0 "[ . 1 . 2]" 1
399 1 32 VAL MG1 1 33 SER H 5.000 . 6.000 2.744 1.814 3.627 . 0 0 "[ . 1 . 2]" 1
400 1 32 VAL MG2 1 33 SER H 5.000 . 6.000 2.669 1.869 4.384 . 0 0 "[ . 1 . 2]" 1
401 1 33 SER HA 1 34 GLU H 3.000 . 3.500 2.358 2.124 3.474 . 0 0 "[ . 1 . 2]" 1
402 1 33 SER QB 1 34 GLU H 4.000 . 4.750 3.158 2.416 3.697 . 0 0 "[ . 1 . 2]" 1
403 1 34 GLU H 1 35 GLU H 4.000 . 4.750 2.602 2.461 2.869 . 0 0 "[ . 1 . 2]" 1
404 1 34 GLU HA 1 35 GLU H 3.000 . 3.500 3.531 3.482 3.545 0.045 17 0 "[ . 1 . 2]" 1
405 1 34 GLU QB 1 35 GLU H 3.000 . 3.500 2.882 2.408 3.498 . 0 0 "[ . 1 . 2]" 1
406 1 34 GLU QG 1 35 GLU H 3.000 . 3.500 2.709 1.891 3.523 0.023 1 0 "[ . 1 . 2]" 1
407 1 35 GLU H 1 36 ASP H 4.000 . 4.750 2.698 2.488 2.865 . 0 0 "[ . 1 . 2]" 1
408 1 35 GLU HA 1 36 ASP H 4.000 . 4.750 3.521 3.487 3.561 . 0 0 "[ . 1 . 2]" 1
409 1 35 GLU QB 1 36 ASP H 3.000 . 3.500 2.827 2.276 3.510 0.010 20 0 "[ . 1 . 2]" 1
410 1 36 ASP H 1 37 MET H 4.000 . 4.750 2.812 2.723 2.909 . 0 0 "[ . 1 . 2]" 1
411 1 36 ASP HA 1 37 MET H 4.000 . 4.750 3.569 3.556 3.580 . 0 0 "[ . 1 . 2]" 1
412 1 36 ASP QB 1 37 MET H 4.000 . 4.750 2.393 2.227 3.177 . 0 0 "[ . 1 . 2]" 1
413 1 37 MET HA 1 38 VAL H 5.000 . 6.000 3.538 3.523 3.556 . 0 0 "[ . 1 . 2]" 1
414 1 38 VAL H 1 39 THR H 4.000 . 4.750 2.911 2.801 2.974 . 0 0 "[ . 1 . 2]" 1
415 1 38 VAL HA 1 39 THR H 4.000 . 4.750 3.612 3.566 3.645 . 0 0 "[ . 1 . 2]" 1
416 1 38 VAL HB 1 39 THR H 3.000 . 3.500 2.612 2.552 2.817 . 0 0 "[ . 1 . 2]" 1
417 1 38 VAL MG1 1 39 THR H 4.000 . 4.750 3.350 2.883 3.536 . 0 0 "[ . 1 . 2]" 1
418 1 38 VAL MG2 1 39 THR H 5.000 . 6.000 3.925 3.807 4.145 . 0 0 "[ . 1 . 2]" 1
419 1 39 THR H 1 40 VAL H 3.000 . 3.500 2.585 2.521 2.624 . 0 0 "[ . 1 . 2]" 1
420 1 39 THR H 1 40 VAL MG2 5.000 . 6.000 3.958 3.824 5.014 . 0 0 "[ . 1 . 2]" 1
421 1 39 THR HA 1 40 VAL H 5.000 . 6.000 3.507 3.488 3.520 . 0 0 "[ . 1 . 2]" 1
422 1 39 THR HB 1 40 VAL H 3.000 . 3.500 2.933 2.661 3.555 0.055 1 0 "[ . 1 . 2]" 1
423 1 39 THR MG 1 40 VAL H 5.000 . 6.000 3.537 2.037 4.217 . 0 0 "[ . 1 . 2]" 1
424 1 39 THR MG 1 40 VAL HA 5.000 . 6.000 3.879 2.960 5.379 . 0 0 "[ . 1 . 2]" 1
425 1 39 THR MG 1 40 VAL MG1 5.000 . 6.000 5.151 4.115 6.126 0.126 1 0 "[ . 1 . 2]" 1
426 1 40 VAL H 1 41 VAL H 4.000 . 4.750 2.730 2.588 2.866 . 0 0 "[ . 1 . 2]" 1
427 1 40 VAL H 1 41 VAL MG2 5.000 . 6.000 4.203 3.925 4.467 . 0 0 "[ . 1 . 2]" 1
428 1 40 VAL HA 1 41 VAL H 5.000 . 6.000 3.556 3.528 3.574 . 0 0 "[ . 1 . 2]" 1
429 1 40 VAL HB 1 41 VAL H 3.000 . 3.500 2.501 2.341 2.997 . 0 0 "[ . 1 . 2]" 1
430 1 40 VAL HB 1 41 VAL MG2 5.000 . 6.000 3.241 2.995 3.931 . 0 0 "[ . 1 . 2]" 1
431 1 40 VAL MG1 1 41 VAL H 5.000 . 6.000 3.436 2.543 3.743 . 0 0 "[ . 1 . 2]" 1
432 1 40 VAL MG1 1 41 VAL HA 5.000 . 6.000 3.561 2.911 3.867 . 0 0 "[ . 1 . 2]" 1
433 1 40 VAL MG1 1 41 VAL MG2 5.000 . 6.000 3.566 2.526 3.885 . 0 0 "[ . 1 . 2]" 1
434 1 40 VAL MG2 1 41 VAL H 5.000 . 6.000 3.737 3.657 4.184 . 0 0 "[ . 1 . 2]" 1
435 1 41 VAL H 1 42 GLU H 3.000 . 3.500 2.714 2.546 2.852 . 0 0 "[ . 1 . 2]" 1
436 1 41 VAL HA 1 42 GLU H 5.000 . 6.000 3.553 3.492 3.576 . 0 0 "[ . 1 . 2]" 1
437 1 41 VAL HB 1 42 GLU H 3.000 . 3.500 2.474 2.291 2.810 . 0 0 "[ . 1 . 2]" 1
438 1 41 VAL MG1 1 42 GLU H 5.000 . 6.000 3.418 2.832 3.609 . 0 0 "[ . 1 . 2]" 1
439 1 41 VAL MG1 1 42 GLU HA 5.000 . 6.000 3.517 3.003 3.718 . 0 0 "[ . 1 . 2]" 1
440 1 41 VAL MG2 1 42 GLU H 5.000 . 6.000 3.735 3.545 3.893 . 0 0 "[ . 1 . 2]" 1
441 1 42 GLU H 1 43 ASP H 3.000 . 3.500 2.681 2.625 2.732 . 0 0 "[ . 1 . 2]" 1
442 1 42 GLU HA 1 43 ASP H 4.000 . 4.750 3.538 3.510 3.558 . 0 0 "[ . 1 . 2]" 1
443 1 42 GLU QB 1 43 ASP H 4.000 . 4.750 2.676 2.578 2.798 . 0 0 "[ . 1 . 2]" 1
444 1 42 GLU QG 1 43 ASP H 5.000 . 6.000 4.398 4.242 4.522 . 0 0 "[ . 1 . 2]" 1
445 1 43 ASP H 1 44 TRP H 3.000 . 3.500 2.704 2.535 2.822 . 0 0 "[ . 1 . 2]" 1
446 1 43 ASP HA 1 44 TRP H 4.000 . 4.750 3.549 3.495 3.574 . 0 0 "[ . 1 . 2]" 1
447 1 43 ASP QB 1 44 TRP H 4.000 . 4.750 2.711 2.347 3.480 . 0 0 "[ . 1 . 2]" 1
448 1 43 ASP QB 1 44 TRP HD1 5.000 . 6.000 3.838 3.333 4.866 . 0 0 "[ . 1 . 2]" 1
449 1 44 TRP H 1 45 MET H 4.000 . 4.750 2.753 2.648 2.826 . 0 0 "[ . 1 . 2]" 1
450 1 44 TRP HA 1 45 MET H 5.000 . 6.000 3.562 3.548 3.577 . 0 0 "[ . 1 . 2]" 1
451 1 44 TRP HB3 1 45 MET H 5.000 . 6.000 3.332 3.135 3.455 . 0 0 "[ . 1 . 2]" 1
452 1 44 TRP HD1 1 45 MET H 5.000 . 6.000 5.213 5.107 5.290 . 0 0 "[ . 1 . 2]" 1
453 1 44 TRP HE3 1 45 MET H 5.000 . 6.000 4.903 4.763 5.134 . 0 0 "[ . 1 . 2]" 1
454 1 45 MET H 1 46 ASN H 4.000 . 4.750 2.830 2.716 2.907 . 0 0 "[ . 1 . 2]" 1
455 1 45 MET HA 1 46 ASN H 3.000 . 3.500 3.548 3.513 3.581 0.081 6 0 "[ . 1 . 2]" 1
456 1 45 MET QB 1 46 ASN H 4.000 . 4.750 2.631 2.384 3.445 . 0 0 "[ . 1 . 2]" 1
457 1 45 MET QG 1 46 ASN H 3.000 . 3.500 3.205 1.937 3.550 0.050 6 0 "[ . 1 . 2]" 1
458 1 46 ASN H 1 47 PHE H 3.000 . 3.500 2.644 2.567 2.710 . 0 0 "[ . 1 . 2]" 1
459 1 46 ASN HA 1 47 PHE H 4.000 . 4.750 3.534 3.526 3.541 . 0 0 "[ . 1 . 2]" 1
460 1 46 ASN QB 1 47 PHE H 4.000 . 4.750 2.716 2.517 3.308 . 0 0 "[ . 1 . 2]" 1
461 1 47 PHE H 1 48 TYR H 3.000 . 3.500 2.609 2.535 2.699 . 0 0 "[ . 1 . 2]" 1
462 1 47 PHE HA 1 48 TYR H 3.000 . 3.500 3.511 3.489 3.530 0.030 3 0 "[ . 1 . 2]" 1
463 1 47 PHE QB 1 48 TYR H 4.000 . 4.750 2.689 2.515 2.782 . 0 0 "[ . 1 . 2]" 1
464 1 47 PHE QB 1 48 TYR QD 5.000 . 6.000 3.996 2.917 4.492 . 0 0 "[ . 1 . 2]" 1
465 1 47 PHE QD 1 48 TYR H 5.000 . 6.000 3.403 2.936 3.792 . 0 0 "[ . 1 . 2]" 1
466 1 47 PHE QD 1 48 TYR HA 5.000 . 6.000 3.011 2.688 3.519 . 0 0 "[ . 1 . 2]" 1
467 1 47 PHE QD 1 48 TYR QD 4.000 . 4.750 3.524 2.674 3.912 . 0 0 "[ . 1 . 2]" 1
468 1 47 PHE QD 1 48 TYR QE 4.000 . 4.750 4.336 3.587 4.668 . 0 0 "[ . 1 . 2]" 1
469 1 47 PHE QE 1 48 TYR QD 4.000 . 4.750 4.728 4.519 4.760 0.010 19 0 "[ . 1 . 2]" 1
470 1 48 TYR H 1 49 ILE H 4.000 . 4.750 2.660 2.564 2.726 . 0 0 "[ . 1 . 2]" 1
471 1 48 TYR HA 1 49 ILE H 4.000 . 4.750 3.564 3.552 3.575 . 0 0 "[ . 1 . 2]" 1
472 1 48 TYR QB 1 49 ILE H 4.000 . 4.750 2.571 2.472 2.641 . 0 0 "[ . 1 . 2]" 1
473 1 49 ILE H 1 50 ASN H 3.000 . 3.500 2.815 2.677 2.911 . 0 0 "[ . 1 . 2]" 1
474 1 49 ILE HA 1 50 ASN H 4.000 . 4.750 3.563 3.535 3.581 . 0 0 "[ . 1 . 2]" 1
475 1 49 ILE HB 1 50 ASN H 3.000 . 3.500 2.730 2.281 3.547 0.047 3 0 "[ . 1 . 2]" 1
476 1 49 ILE MG 1 50 ASN H 4.000 . 4.750 2.826 1.881 3.331 . 0 0 "[ . 1 . 2]" 1
477 1 49 ILE QG 1 50 ASN H 4.000 . 4.750 4.158 3.887 4.511 . 0 0 "[ . 1 . 2]" 1
478 1 50 ASN H 1 51 TYR H 3.000 . 3.500 2.711 2.594 2.855 . 0 0 "[ . 1 . 2]" 1
479 1 50 ASN HA 1 51 TYR H 4.000 . 4.750 3.540 3.478 3.566 . 0 0 "[ . 1 . 2]" 1
480 1 50 ASN QB 1 51 TYR H 3.000 . 3.500 2.683 2.484 3.506 0.006 16 0 "[ . 1 . 2]" 1
481 1 51 TYR H 1 52 TYR H 3.000 . 3.500 2.619 2.418 2.785 . 0 0 "[ . 1 . 2]" 1
482 1 51 TYR HB3 1 52 TYR H 4.000 . 4.750 2.600 2.375 3.015 . 0 0 "[ . 1 . 2]" 1
483 1 51 TYR HB2 1 52 TYR H 4.000 . 4.750 3.677 3.479 3.913 . 0 0 "[ . 1 . 2]" 1
484 1 51 TYR QD 1 52 TYR H 4.000 . 4.750 3.902 3.285 4.490 . 0 0 "[ . 1 . 2]" 1
485 1 51 TYR QD 1 52 TYR HA 5.000 . 6.000 3.577 2.715 4.529 . 0 0 "[ . 1 . 2]" 1
486 1 51 TYR QD 1 52 TYR QB 5.000 . 6.000 4.922 4.066 5.476 . 0 0 "[ . 1 . 2]" 1
487 1 51 TYR QD 1 52 TYR QD 4.000 . 4.750 3.988 2.942 4.433 . 0 0 "[ . 1 . 2]" 1
488 1 51 TYR QE 1 52 TYR QD 5.000 . 6.000 5.549 3.899 6.008 0.008 13 0 "[ . 1 . 2]" 1
489 1 52 TYR HA 1 53 ARG H 5.000 . 6.000 3.517 3.489 3.553 . 0 0 "[ . 1 . 2]" 1
490 1 52 TYR QB 1 53 ARG H 3.000 . 3.500 2.783 2.598 2.904 . 0 0 "[ . 1 . 2]" 1
491 1 52 TYR QD 1 53 ARG H 4.000 . 4.750 4.616 4.360 4.708 . 0 0 "[ . 1 . 2]" 1
492 1 53 ARG H 1 54 GLN H 4.000 . 4.750 2.759 2.656 2.825 . 0 0 "[ . 1 . 2]" 1
493 1 53 ARG HA 1 54 GLN H 4.000 . 4.750 3.515 3.453 3.541 . 0 0 "[ . 1 . 2]" 1
494 1 53 ARG QB 1 54 GLN H 4.000 . 4.750 3.027 2.557 3.650 . 0 0 "[ . 1 . 2]" 1
495 1 53 ARG QG 1 54 GLN H 5.000 . 6.000 3.444 1.905 4.521 . 0 0 "[ . 1 . 2]" 1
496 1 54 GLN H 1 55 GLN H 3.000 . 3.500 2.431 2.199 2.661 . 0 0 "[ . 1 . 2]" 1
497 1 54 GLN HA 1 55 GLN H 3.000 . 3.500 3.414 3.277 3.491 . 0 0 "[ . 1 . 2]" 1
498 1 54 GLN QB 1 55 GLN H 3.000 . 3.500 3.100 2.735 3.417 . 0 0 "[ . 1 . 2]" 1
499 1 54 GLN QG 1 55 GLN H 4.000 . 4.750 4.530 4.185 4.737 . 0 0 "[ . 1 . 2]" 1
500 1 55 GLN H 1 56 VAL H 5.000 . 6.000 2.866 2.488 3.533 . 0 0 "[ . 1 . 2]" 1
501 1 55 GLN H 1 56 VAL MG2 5.000 . 6.000 3.184 2.621 3.912 . 0 0 "[ . 1 . 2]" 1
502 1 55 GLN HA 1 56 VAL H 4.000 . 4.750 2.973 2.696 3.448 . 0 0 "[ . 1 . 2]" 1
503 1 55 GLN QB 1 56 VAL H 5.000 . 6.000 3.714 3.096 3.989 . 0 0 "[ . 1 . 2]" 1
504 1 55 GLN QG 1 56 VAL H 5.000 . 6.000 4.552 3.632 4.888 . 0 0 "[ . 1 . 2]" 1
505 1 56 VAL H 1 57 THR H 5.000 . 6.000 3.675 2.834 4.476 . 0 0 "[ . 1 . 2]" 1
506 1 56 VAL HA 1 57 THR H 3.000 . 3.500 2.896 2.139 3.530 0.030 13 0 "[ . 1 . 2]" 1
507 1 56 VAL HB 1 57 THR H 4.000 . 4.750 2.800 1.770 4.363 0.030 19 0 "[ . 1 . 2]" 1
508 1 56 VAL MG1 1 57 THR H 4.000 . 4.750 2.643 1.780 4.113 0.020 7 0 "[ . 1 . 2]" 1
509 1 56 VAL MG1 1 57 THR HA 5.000 . 6.000 4.084 3.512 4.814 . 0 0 "[ . 1 . 2]" 1
510 1 56 VAL MG2 1 57 THR H 5.000 . 6.000 3.850 3.448 4.432 . 0 0 "[ . 1 . 2]" 1
511 1 56 VAL MG2 1 57 THR HA 5.000 . 6.000 5.405 4.972 5.665 . 0 0 "[ . 1 . 2]" 1
512 1 57 THR H 1 58 GLY H 5.000 . 6.000 2.929 1.761 4.582 0.039 16 0 "[ . 1 . 2]" 1
513 1 57 THR HA 1 58 GLY H 3.000 . 3.500 3.011 2.176 3.503 0.003 17 0 "[ . 1 . 2]" 1
514 1 57 THR HB 1 58 GLY H 4.000 . 4.750 3.937 2.435 4.655 . 0 0 "[ . 1 . 2]" 1
515 1 57 THR MG 1 58 GLY H 5.000 . 6.000 3.611 1.852 4.517 . 0 0 "[ . 1 . 2]" 1
516 1 58 GLY H 1 59 GLU H 5.000 . 6.000 3.915 1.701 4.695 0.099 7 0 "[ . 1 . 2]" 1
517 1 58 GLY QA 1 59 GLU H 3.000 . 3.500 2.462 2.262 2.951 . 0 0 "[ . 1 . 2]" 1
518 1 58 GLY QA 1 59 GLU QG 5.000 . 6.000 4.227 3.073 5.046 . 0 0 "[ . 1 . 2]" 1
519 1 59 GLU HA 1 60 PRO QD 3.000 . 3.500 2.217 1.857 2.425 . 0 0 "[ . 1 . 2]" 1
520 1 59 GLU QB 1 60 PRO QD 3.000 . 3.500 2.078 1.797 3.293 0.003 2 0 "[ . 1 . 2]" 1
521 1 60 PRO HA 1 61 GLN H 5.000 . 6.000 3.539 3.489 3.597 . 0 0 "[ . 1 . 2]" 1
522 1 60 PRO QD 1 61 GLN H 4.000 . 4.750 3.041 2.673 3.368 . 0 0 "[ . 1 . 2]" 1
523 1 61 GLN H 1 62 GLU H 4.000 . 4.750 2.503 2.435 2.605 . 0 0 "[ . 1 . 2]" 1
524 1 61 GLN HA 1 62 GLU H 4.000 . 4.750 3.519 3.470 3.552 . 0 0 "[ . 1 . 2]" 1
525 1 61 GLN QB 1 62 GLU H 4.000 . 4.750 2.843 2.382 3.555 . 0 0 "[ . 1 . 2]" 1
526 1 61 GLN QG 1 62 GLU H 3.000 . 3.500 2.891 1.846 3.527 0.027 15 0 "[ . 1 . 2]" 1
527 1 62 GLU H 1 63 ARG H 3.000 . 3.500 2.611 2.468 2.807 . 0 0 "[ . 1 . 2]" 1
528 1 62 GLU HA 1 63 ARG H 3.000 . 3.500 3.521 3.483 3.551 0.051 10 0 "[ . 1 . 2]" 1
529 1 62 GLU QB 1 63 ARG H 3.000 . 3.500 2.642 2.339 2.862 . 0 0 "[ . 1 . 2]" 1
530 1 62 GLU QG 1 63 ARG H 5.000 . 6.000 4.202 3.576 4.541 . 0 0 "[ . 1 . 2]" 1
531 1 63 ARG H 1 64 ASP H 3.000 . 3.500 2.670 2.595 2.795 . 0 0 "[ . 1 . 2]" 1
532 1 63 ARG H 1 64 ASP QB 4.000 . 4.750 4.410 4.285 4.540 . 0 0 "[ . 1 . 2]" 1
533 1 63 ARG HA 1 64 ASP H 4.000 . 4.750 3.556 3.518 3.568 . 0 0 "[ . 1 . 2]" 1
534 1 63 ARG QB 1 64 ASP H 4.000 . 4.750 2.518 2.230 3.291 . 0 0 "[ . 1 . 2]" 1
535 1 63 ARG QG 1 64 ASP H 4.000 . 4.750 3.457 1.832 4.358 . 0 0 "[ . 1 . 2]" 1
536 1 63 ARG QD 1 64 ASP H 5.000 . 6.000 4.578 3.180 5.246 . 0 0 "[ . 1 . 2]" 1
537 1 64 ASP H 1 65 LYS H 3.000 . 3.500 2.728 2.544 2.906 . 0 0 "[ . 1 . 2]" 1
538 1 64 ASP HA 1 65 LYS H 3.000 . 3.500 3.526 3.491 3.558 0.058 14 0 "[ . 1 . 2]" 1
539 1 64 ASP QB 1 65 LYS H 3.000 . 3.500 2.687 2.300 3.392 . 0 0 "[ . 1 . 2]" 1
540 1 65 LYS H 1 66 ALA H 3.000 . 3.500 2.654 2.501 2.882 . 0 0 "[ . 1 . 2]" 1
541 1 65 LYS HA 1 66 ALA H 3.000 . 3.500 3.538 3.509 3.556 0.056 13 0 "[ . 1 . 2]" 1
542 1 65 LYS QB 1 66 ALA H 4.000 . 4.750 2.550 2.418 2.783 . 0 0 "[ . 1 . 2]" 1
543 1 65 LYS QD 1 66 ALA H 5.000 . 6.000 4.593 3.044 5.320 . 0 0 "[ . 1 . 2]" 1
544 1 66 ALA H 1 67 LEU H 3.000 . 3.500 2.586 2.454 2.734 . 0 0 "[ . 1 . 2]" 1
545 1 66 ALA H 1 67 LEU MD2 5.000 . 6.000 4.893 3.793 6.036 0.036 6 0 "[ . 1 . 2]" 1
546 1 66 ALA HA 1 67 LEU H 3.000 . 3.500 3.510 3.452 3.551 0.051 13 0 "[ . 1 . 2]" 1
547 1 66 ALA MB 1 67 LEU H 3.000 . 3.500 2.562 2.250 2.843 . 0 0 "[ . 1 . 2]" 1
548 1 67 LEU H 1 68 GLN H 3.000 . 3.500 2.622 2.446 2.848 . 0 0 "[ . 1 . 2]" 1
549 1 67 LEU HB3 1 68 GLN H 3.000 . 3.500 3.311 3.046 3.503 0.003 19 0 "[ . 1 . 2]" 1
550 1 67 LEU HB2 1 68 GLN H 3.000 . 3.500 2.877 2.604 3.063 . 0 0 "[ . 1 . 2]" 1
551 1 67 LEU HG 1 68 GLN H 5.000 . 6.000 5.008 4.584 5.326 . 0 0 "[ . 1 . 2]" 1
552 1 67 LEU MD1 1 68 GLN H 5.000 . 6.000 4.602 4.254 4.765 . 0 0 "[ . 1 . 2]" 1
553 1 67 LEU MD2 1 68 GLN H 4.000 . 4.750 4.416 4.034 4.759 0.009 6 0 "[ . 1 . 2]" 1
554 1 68 GLN H 1 69 GLU H 4.000 . 4.750 2.590 2.466 2.712 . 0 0 "[ . 1 . 2]" 1
555 1 68 GLN HA 1 69 GLU H 3.000 . 3.500 3.524 3.487 3.550 0.050 3 0 "[ . 1 . 2]" 1
556 1 68 GLN QB 1 69 GLU H 3.000 . 3.500 2.881 2.369 3.527 0.027 17 0 "[ . 1 . 2]" 1
557 1 68 GLN QG 1 69 GLU H 5.000 . 6.000 3.030 1.876 4.139 . 0 0 "[ . 1 . 2]" 1
558 1 69 GLU H 1 70 LEU H 3.000 . 3.500 2.549 2.460 2.666 . 0 0 "[ . 1 . 2]" 1
559 1 69 GLU HA 1 70 LEU H 3.000 . 3.500 3.504 3.462 3.526 0.026 5 0 "[ . 1 . 2]" 1
560 1 69 GLU QB 1 70 LEU H 3.000 . 3.500 2.850 2.564 3.527 0.027 4 0 "[ . 1 . 2]" 1
561 1 69 GLU QG 1 70 LEU H 5.000 . 6.000 3.995 2.278 4.607 . 0 0 "[ . 1 . 2]" 1
562 1 70 LEU H 1 71 ARG H 3.000 . 3.500 2.695 2.571 2.834 . 0 0 "[ . 1 . 2]" 1
563 1 70 LEU HA 1 71 ARG H 4.000 . 4.750 3.567 3.548 3.583 . 0 0 "[ . 1 . 2]" 1
564 1 70 LEU HG 1 71 ARG H 4.000 . 4.750 4.631 4.238 4.796 0.046 12 0 "[ . 1 . 2]" 1
565 1 70 LEU QB 1 71 ARG H 3.000 . 3.500 2.372 2.279 2.453 . 0 0 "[ . 1 . 2]" 1
566 1 70 LEU QD 1 71 ARG H 4.000 . 4.750 3.658 3.315 3.989 . 0 0 "[ . 1 . 2]" 1
567 1 70 LEU QD 1 71 ARG HA 4.000 . 4.750 3.833 3.075 4.799 0.049 6 0 "[ . 1 . 2]" 1
568 1 71 ARG H 1 72 GLN H 3.000 . 3.500 2.749 2.643 2.861 . 0 0 "[ . 1 . 2]" 1
569 1 71 ARG HA 1 72 GLN H 4.000 . 4.750 3.542 3.499 3.578 . 0 0 "[ . 1 . 2]" 1
570 1 71 ARG QB 1 72 GLN H 3.000 . 3.500 2.600 2.341 3.363 . 0 0 "[ . 1 . 2]" 1
571 1 71 ARG QG 1 72 GLN H 4.000 . 4.750 3.867 2.030 4.371 . 0 0 "[ . 1 . 2]" 1
572 1 72 GLN H 1 73 GLU H 3.000 . 3.500 2.696 2.559 2.832 . 0 0 "[ . 1 . 2]" 1
573 1 72 GLN HA 1 73 GLU H 5.000 . 6.000 3.551 3.503 3.574 . 0 0 "[ . 1 . 2]" 1
574 1 72 GLN QB 1 73 GLU H 3.000 . 3.500 2.618 2.359 3.484 . 0 0 "[ . 1 . 2]" 1
575 1 72 GLN QG 1 73 GLU H 3.000 . 3.500 3.175 1.866 3.532 0.032 16 0 "[ . 1 . 2]" 1
576 1 73 GLU H 1 74 LEU H 3.000 . 3.500 2.704 2.536 2.845 . 0 0 "[ . 1 . 2]" 1
577 1 73 GLU HA 1 74 LEU H 5.000 . 6.000 3.529 3.439 3.569 . 0 0 "[ . 1 . 2]" 1
578 1 73 GLU QB 1 74 LEU H 4.000 . 4.750 2.823 2.387 3.631 . 0 0 "[ . 1 . 2]" 1
579 1 73 GLU QG 1 74 LEU H 4.000 . 4.750 3.723 1.828 4.505 . 0 0 "[ . 1 . 2]" 1
580 1 74 LEU H 1 75 ASN H 3.000 . 3.500 2.710 2.482 2.866 . 0 0 "[ . 1 . 2]" 1
581 1 74 LEU HA 1 75 ASN H 4.000 . 4.750 3.564 3.526 3.588 . 0 0 "[ . 1 . 2]" 1
582 1 74 LEU HG 1 75 ASN H 4.000 . 4.750 4.587 4.361 4.778 0.028 15 0 "[ . 1 . 2]" 1
583 1 74 LEU MD1 1 75 ASN H 5.000 . 6.000 4.461 4.162 4.819 . 0 0 "[ . 1 . 2]" 1
584 1 74 LEU MD2 1 75 ASN H 5.000 . 6.000 4.686 4.177 4.896 . 0 0 "[ . 1 . 2]" 1
585 1 74 LEU QB 1 75 ASN H 3.000 . 3.500 2.552 2.438 2.716 . 0 0 "[ . 1 . 2]" 1
586 1 75 ASN HA 1 76 THR H 3.000 . 3.500 3.479 3.432 3.523 0.023 4 0 "[ . 1 . 2]" 1
587 1 75 ASN QB 1 76 THR H 3.000 . 3.500 2.851 2.438 3.556 0.056 12 0 "[ . 1 . 2]" 1
588 1 76 THR H 1 77 LEU H 3.000 . 3.500 2.506 2.274 2.754 . 0 0 "[ . 1 . 2]" 1
589 1 76 THR HA 1 77 LEU H 5.000 . 6.000 3.506 3.440 3.571 . 0 0 "[ . 1 . 2]" 1
590 1 76 THR HB 1 77 LEU H 4.000 . 4.750 3.420 2.242 4.094 . 0 0 "[ . 1 . 2]" 1
591 1 76 THR MG 1 77 LEU H 5.000 . 6.000 3.026 1.846 4.095 . 0 0 "[ . 1 . 2]" 1
592 1 77 LEU H 1 78 ALA H 3.000 . 3.500 2.420 2.230 2.842 . 0 0 "[ . 1 . 2]" 1
593 1 77 LEU H 1 78 ALA MB 5.000 . 6.000 4.112 3.965 4.440 . 0 0 "[ . 1 . 2]" 1
594 1 77 LEU HA 1 78 ALA H 4.000 . 4.750 3.511 3.462 3.578 . 0 0 "[ . 1 . 2]" 1
595 1 77 LEU HB2 1 78 ALA H 4.000 . 4.750 2.671 2.404 2.883 . 0 0 "[ . 1 . 2]" 1
596 1 77 LEU HG 1 78 ALA H 4.000 . 4.750 4.540 4.304 4.802 0.052 17 0 "[ . 1 . 2]" 1
597 1 77 LEU MD1 1 78 ALA H 5.000 . 6.000 4.712 4.550 4.898 . 0 0 "[ . 1 . 2]" 1
598 1 77 LEU MD2 1 78 ALA H 5.000 . 6.000 4.516 3.986 4.733 . 0 0 "[ . 1 . 2]" 1
599 1 78 ALA H 1 79 ASN H 3.000 . 3.500 2.479 2.362 2.677 . 0 0 "[ . 1 . 2]" 1
600 1 78 ALA HA 1 79 ASN H 5.000 . 6.000 3.451 3.381 3.509 . 0 0 "[ . 1 . 2]" 1
601 1 78 ALA MB 1 79 ASN H 4.000 . 4.750 2.931 2.797 3.089 . 0 0 "[ . 1 . 2]" 1
602 1 79 ASN H 1 80 PRO QD 3.000 . 3.500 2.170 2.066 2.258 . 0 0 "[ . 1 . 2]" 1
603 1 79 ASN HA 1 80 PRO QD 5.000 . 6.000 3.528 3.510 3.540 . 0 0 "[ . 1 . 2]" 1
604 1 79 ASN QB 1 80 PRO QD 3.000 . 3.500 2.093 1.883 2.910 . 0 0 "[ . 1 . 2]" 1
605 1 79 ASN QD 1 80 PRO QD 5.000 . 6.000 4.119 2.271 4.453 . 0 0 "[ . 1 . 2]" 1
606 1 80 PRO HA 1 81 PHE H 5.000 . 6.000 3.514 3.460 3.550 . 0 0 "[ . 1 . 2]" 1
607 1 80 PRO QB 1 81 PHE H 4.000 . 4.750 3.214 3.025 3.420 . 0 0 "[ . 1 . 2]" 1
608 1 80 PRO QG 1 81 PHE H 4.000 . 4.750 2.489 2.325 2.722 . 0 0 "[ . 1 . 2]" 1
609 1 80 PRO QD 1 81 PHE H 4.000 . 4.750 2.747 2.614 2.935 . 0 0 "[ . 1 . 2]" 1
610 1 81 PHE H 1 82 LEU H 3.000 . 3.500 2.592 2.513 2.646 . 0 0 "[ . 1 . 2]" 1
611 1 81 PHE H 1 82 LEU MD2 5.000 . 6.000 5.356 4.144 6.041 0.041 4 0 "[ . 1 . 2]" 1
612 1 81 PHE H 1 82 LEU QB 5.000 . 6.000 4.324 4.195 4.490 . 0 0 "[ . 1 . 2]" 1
613 1 81 PHE HA 1 82 LEU H 4.000 . 4.750 3.538 3.501 3.560 . 0 0 "[ . 1 . 2]" 1
614 1 81 PHE HB3 1 82 LEU H 4.000 . 4.750 2.534 2.335 2.795 . 0 0 "[ . 1 . 2]" 1
615 1 81 PHE HB2 1 82 LEU H 4.000 . 4.750 3.848 3.521 4.037 . 0 0 "[ . 1 . 2]" 1
616 1 81 PHE QD 1 82 LEU H 4.000 . 4.750 3.993 3.747 4.190 . 0 0 "[ . 1 . 2]" 1
617 1 81 PHE QD 1 82 LEU MD2 5.000 . 6.000 4.384 3.080 6.067 0.067 4 0 "[ . 1 . 2]" 1
618 1 82 LEU H 1 83 ALA H 3.000 . 3.500 2.620 2.421 2.836 . 0 0 "[ . 1 . 2]" 1
619 1 82 LEU HA 1 83 ALA H 4.000 . 4.750 3.545 3.501 3.581 . 0 0 "[ . 1 . 2]" 1
620 1 82 LEU HG 1 83 ALA H 5.000 . 6.000 5.066 4.687 5.392 . 0 0 "[ . 1 . 2]" 1
621 1 82 LEU MD1 1 83 ALA H 5.000 . 6.000 4.488 4.176 4.892 . 0 0 "[ . 1 . 2]" 1
622 1 82 LEU MD2 1 83 ALA H 5.000 . 6.000 4.292 2.910 4.820 . 0 0 "[ . 1 . 2]" 1
623 1 82 LEU QB 1 83 ALA H 4.000 . 4.750 2.743 2.541 2.912 . 0 0 "[ . 1 . 2]" 1
624 1 83 ALA H 1 84 LYS H 3.000 . 3.500 2.471 2.382 2.595 . 0 0 "[ . 1 . 2]" 1
625 1 83 ALA HA 1 84 LYS H 3.000 . 3.500 3.511 3.490 3.537 0.037 19 0 "[ . 1 . 2]" 1
626 1 83 ALA MB 1 84 LYS H 3.000 . 3.500 2.681 2.516 2.776 . 0 0 "[ . 1 . 2]" 1
627 1 83 ALA MB 1 84 LYS HA 5.000 . 6.000 3.809 3.711 3.893 . 0 0 "[ . 1 . 2]" 1
628 1 84 LYS H 1 85 TYR H 3.000 . 3.500 2.637 2.491 2.784 . 0 0 "[ . 1 . 2]" 1
629 1 84 LYS HA 1 85 TYR H 4.000 . 4.750 3.553 3.511 3.595 . 0 0 "[ . 1 . 2]" 1
630 1 84 LYS QB 1 85 TYR H 3.000 . 3.500 2.726 2.453 3.478 . 0 0 "[ . 1 . 2]" 1
631 1 84 LYS QG 1 85 TYR H 4.000 . 4.750 3.580 2.088 4.367 . 0 0 "[ . 1 . 2]" 1
632 1 84 LYS QG 1 85 TYR QD 5.000 . 6.000 4.712 3.757 6.060 0.060 8 0 "[ . 1 . 2]" 1
633 1 85 TYR HA 1 86 ARG H 3.000 . 3.500 3.532 3.478 3.557 0.057 17 0 "[ . 1 . 2]" 1
634 1 85 TYR HB3 1 86 ARG H 3.000 . 3.500 2.693 2.450 3.092 . 0 0 "[ . 1 . 2]" 1
635 1 85 TYR HB3 1 86 ARG QB 5.000 . 6.000 4.261 3.964 4.725 . 0 0 "[ . 1 . 2]" 1
636 1 85 TYR HB2 1 86 ARG H 4.000 . 4.750 3.612 3.328 3.722 . 0 0 "[ . 1 . 2]" 1
637 1 86 ARG H 1 87 ASP H 3.000 . 3.500 2.707 2.517 2.892 . 0 0 "[ . 1 . 2]" 1
638 1 86 ARG HA 1 87 ASP H 4.000 . 4.750 3.532 3.476 3.575 . 0 0 "[ . 1 . 2]" 1
639 1 86 ARG QB 1 87 ASP H 3.000 . 3.500 2.781 2.307 3.528 0.028 11 0 "[ . 1 . 2]" 1
640 1 86 ARG QG 1 87 ASP H 4.000 . 4.750 3.552 1.864 4.450 . 0 0 "[ . 1 . 2]" 1
641 1 87 ASP H 1 88 PHE H 3.000 . 3.500 2.549 2.416 2.695 . 0 0 "[ . 1 . 2]" 1
642 1 87 ASP HA 1 88 PHE H 3.000 . 3.500 3.506 3.488 3.533 0.033 14 0 "[ . 1 . 2]" 1
643 1 87 ASP QB 1 88 PHE H 3.000 . 3.500 2.764 2.595 3.353 . 0 0 "[ . 1 . 2]" 1
644 1 88 PHE H 1 89 LEU H 3.000 . 3.500 2.699 2.457 2.882 . 0 0 "[ . 1 . 2]" 1
645 1 88 PHE HB3 1 89 LEU H 4.000 . 4.750 2.548 2.332 3.025 . 0 0 "[ . 1 . 2]" 1
646 1 88 PHE HB2 1 89 LEU H 5.000 . 6.000 3.818 3.453 4.122 . 0 0 "[ . 1 . 2]" 1
647 1 88 PHE QD 1 89 LEU H 5.000 . 6.000 3.415 2.081 4.193 . 0 0 "[ . 1 . 2]" 1
648 1 88 PHE QD 1 89 LEU HA 5.000 . 6.000 3.244 2.596 4.294 . 0 0 "[ . 1 . 2]" 1
649 1 88 PHE QD 1 89 LEU HG 5.000 . 6.000 5.184 3.525 5.806 . 0 0 "[ . 1 . 2]" 1
650 1 88 PHE QD 1 89 LEU QD 5.000 . 6.000 3.385 2.030 4.814 . 0 0 "[ . 1 . 2]" 1
651 1 88 PHE QE 1 89 LEU H 5.000 . 6.000 5.538 4.069 6.039 0.039 4 0 "[ . 1 . 2]" 1
652 1 88 PHE QE 1 89 LEU QD 5.000 . 6.000 4.286 1.877 5.929 . 0 0 "[ . 1 . 2]" 1
653 1 89 LEU H 1 90 LYS H 3.000 . 3.500 2.548 2.421 2.739 . 0 0 "[ . 1 . 2]" 1
654 1 89 LEU HA 1 90 LYS H 5.000 . 6.000 3.504 3.435 3.552 . 0 0 "[ . 1 . 2]" 1
655 1 89 LEU HG 1 90 LYS H 4.000 . 4.750 4.209 2.308 4.846 0.096 8 0 "[ . 1 . 2]" 1
656 1 89 LEU HG 1 90 LYS QD 4.000 . 4.750 4.473 3.409 4.766 0.016 18 0 "[ . 1 . 2]" 1
657 1 89 LEU QB 1 90 LYS H 4.000 . 4.750 2.927 2.422 3.719 . 0 0 "[ . 1 . 2]" 1
658 1 89 LEU QB 1 90 LYS QD 4.000 . 4.750 3.354 2.398 4.756 0.006 1 0 "[ . 1 . 2]" 1
659 1 89 LEU QD 1 90 LYS H 5.000 . 6.000 3.667 1.791 4.258 0.009 13 0 "[ . 1 . 2]" 1
660 1 89 LEU QD 1 90 LYS QD 4.000 . 4.750 3.515 1.966 4.589 . 0 0 "[ . 1 . 2]" 1
661 1 90 LYS H 1 91 SER H 3.000 . 3.500 2.398 2.309 2.614 . 0 0 "[ . 1 . 2]" 1
662 1 90 LYS HA 1 91 SER H 4.000 . 4.750 3.421 3.312 3.511 . 0 0 "[ . 1 . 2]" 1
663 1 90 LYS QB 1 91 SER H 4.000 . 4.750 3.091 2.849 3.402 . 0 0 "[ . 1 . 2]" 1
664 1 91 SER H 1 92 HIS H 3.000 . 3.500 2.698 2.246 3.204 . 0 0 "[ . 1 . 2]" 1
665 1 91 SER HA 1 92 HIS H 4.000 . 4.750 3.522 3.224 3.604 . 0 0 "[ . 1 . 2]" 1
666 1 91 SER QB 1 92 HIS H 5.000 . 6.000 2.774 2.133 3.988 . 0 0 "[ . 1 . 2]" 1
667 1 92 HIS H 1 93 GLU H 4.000 . 4.750 4.452 4.331 4.668 . 0 0 "[ . 1 . 2]" 1
668 1 92 HIS HA 1 93 GLU H 3.000 . 3.500 2.168 2.045 2.577 . 0 0 "[ . 1 . 2]" 1
669 1 92 HIS QB 1 93 GLU H 5.000 . 6.000 3.299 2.315 3.841 . 0 0 "[ . 1 . 2]" 1
670 1 93 GLU H 1 94 LEU H 4.000 . 4.750 3.620 2.115 4.688 . 0 0 "[ . 1 . 2]" 1
671 1 93 GLU HA 1 94 LEU H 3.000 . 3.500 2.668 2.146 3.570 0.070 2 0 "[ . 1 . 2]" 1
672 1 93 GLU QB 1 94 LEU H 4.000 . 4.750 3.298 2.159 4.014 . 0 0 "[ . 1 . 2]" 1
673 1 94 LEU HA 1 95 PRO QD 3.000 . 3.500 2.303 1.804 3.535 0.035 12 0 "[ . 1 . 2]" 1
674 1 94 LEU QB 1 95 PRO QD 4.000 . 4.750 2.988 1.795 3.900 0.005 12 0 "[ . 1 . 2]" 1
675 1 94 LEU QD 1 95 PRO QD 5.000 . 6.000 3.504 2.422 4.304 . 0 0 "[ . 1 . 2]" 1
676 1 95 PRO HA 1 96 SER H 3.000 . 3.500 2.897 2.165 3.536 0.036 14 0 "[ . 1 . 2]" 1
677 1 95 PRO QB 1 96 SER H 4.000 . 4.750 3.074 1.739 4.001 0.061 5 0 "[ . 1 . 2]" 1
678 1 96 SER HA 1 97 HIS H 4.000 . 4.750 2.760 2.130 3.574 . 0 0 "[ . 1 . 2]" 1
679 1 97 HIS HA 1 98 PRO QD 3.000 . 3.500 2.514 1.791 3.503 0.009 3 0 "[ . 1 . 2]" 1
680 1 97 HIS QB 1 98 PRO QD 4.000 . 4.750 2.999 1.861 3.849 . 0 0 "[ . 1 . 2]" 1
681 1 100 PRO HA 1 101 SER H 4.000 . 4.750 2.687 2.144 3.582 . 0 0 "[ . 1 . 2]" 1
682 1 101 SER H 1 102 SER H 4.000 . 4.750 3.264 1.813 4.647 . 0 0 "[ . 1 . 2]" 1
683 1 4 LEU HA 1 6 ALA H 5.000 . 6.000 3.662 3.206 4.128 . 0 0 "[ . 1 . 2]" 1
684 1 4 LEU QD 1 6 ALA H 5.000 . 6.000 3.837 1.932 5.037 . 0 0 "[ . 1 . 2]" 1
685 1 8 LYS H 1 10 LEU H 5.000 . 6.000 4.191 3.887 4.420 . 0 0 "[ . 1 . 2]" 1
686 1 8 LYS HA 1 10 LEU H 5.000 . 6.000 4.473 4.149 4.629 . 0 0 "[ . 1 . 2]" 1
687 1 10 LEU H 1 12 SER H 5.000 . 6.000 4.364 4.223 4.468 . 0 0 "[ . 1 . 2]" 1
688 1 11 ILE H 1 13 ALA MB 5.000 . 6.000 4.687 4.524 4.895 . 0 0 "[ . 1 . 2]" 1
689 1 14 GLY QA 1 16 LYS H 5.000 . 6.000 4.104 4.010 4.190 . 0 0 "[ . 1 . 2]" 1
690 1 16 LYS H 1 18 PHE H 5.000 . 6.000 3.998 3.858 4.167 . 0 0 "[ . 1 . 2]" 1
691 1 17 GLU H 1 19 SER H 5.000 . 6.000 4.273 3.952 4.398 . 0 0 "[ . 1 . 2]" 1
692 1 18 PHE H 1 20 VAL H 5.000 . 6.000 4.176 4.090 4.280 . 0 0 "[ . 1 . 2]" 1
693 1 19 SER H 1 21 LEU H 5.000 . 6.000 4.043 3.749 4.245 . 0 0 "[ . 1 . 2]" 1
694 1 19 SER HA 1 21 LEU H 4.000 . 4.750 4.320 4.054 4.502 . 0 0 "[ . 1 . 2]" 1
695 1 23 ASN H 1 25 GLN H 5.000 . 6.000 4.703 4.114 5.589 . 0 0 "[ . 1 . 2]" 1
696 1 25 GLN QB 1 27 PHE QE 5.000 . 6.000 2.281 1.877 3.409 . 0 0 "[ . 1 . 2]" 1
697 1 26 VAL QG 1 28 ASN QB 5.000 . 6.000 3.518 2.673 4.767 . 0 0 "[ . 1 . 2]" 1
698 1 26 VAL QG 1 28 ASN QD 5.000 . 6.000 4.582 1.980 6.020 0.020 11 0 "[ . 1 . 2]" 1
699 1 29 ASP QB 1 31 LEU QB 5.000 . 6.000 4.385 3.666 5.137 . 0 0 "[ . 1 . 2]" 1
700 1 30 ALA MB 1 32 VAL H 5.000 . 6.000 4.828 2.788 6.108 0.108 3 0 "[ . 1 . 2]" 1
701 1 32 VAL MG1 1 34 GLU H 5.000 . 6.000 4.815 4.069 5.282 . 0 0 "[ . 1 . 2]" 1
702 1 33 SER HA 1 35 GLU H 4.000 . 4.750 4.230 3.844 4.464 . 0 0 "[ . 1 . 2]" 1
703 1 34 GLU H 1 36 ASP H 5.000 . 6.000 4.045 3.797 4.394 . 0 0 "[ . 1 . 2]" 1
704 1 41 VAL H 1 43 ASP H 4.000 . 4.750 4.107 3.888 4.315 . 0 0 "[ . 1 . 2]" 1
705 1 45 MET H 1 47 PHE H 5.000 . 6.000 4.191 4.152 4.278 . 0 0 "[ . 1 . 2]" 1
706 1 53 ARG H 1 55 GLN H 4.000 . 4.750 4.003 3.822 4.390 . 0 0 "[ . 1 . 2]" 1
707 1 59 GLU QB 1 61 GLN H 4.000 . 4.750 2.571 2.298 3.658 . 0 0 "[ . 1 . 2]" 1
708 1 59 GLU QG 1 61 GLN H 4.000 . 4.750 3.689 2.348 4.442 . 0 0 "[ . 1 . 2]" 1
709 1 60 PRO HA 1 62 GLU H 5.000 . 6.000 4.488 3.996 4.732 . 0 0 "[ . 1 . 2]" 1
710 1 61 GLN H 1 63 ARG H 5.000 . 6.000 3.934 3.708 4.338 . 0 0 "[ . 1 . 2]" 1
711 1 62 GLU H 1 64 ASP H 5.000 . 6.000 4.299 4.063 4.453 . 0 0 "[ . 1 . 2]" 1
712 1 70 LEU H 1 72 GLN H 4.000 . 4.750 4.047 3.862 4.355 . 0 0 "[ . 1 . 2]" 1
713 1 70 LEU QD 1 72 GLN H 5.000 . 6.000 5.035 4.575 5.566 . 0 0 "[ . 1 . 2]" 1
714 1 71 ARG QG 1 73 GLU H 5.000 . 6.000 5.602 4.412 6.003 0.003 12 0 "[ . 1 . 2]" 1
715 1 72 GLN H 1 74 LEU H 5.000 . 6.000 4.089 3.734 4.343 . 0 0 "[ . 1 . 2]" 1
716 1 76 THR H 1 78 ALA H 5.000 . 6.000 3.959 3.729 4.256 . 0 0 "[ . 1 . 2]" 1
717 1 76 THR MG 1 78 ALA H 5.000 . 6.000 4.821 4.123 5.572 . 0 0 "[ . 1 . 2]" 1
718 1 77 LEU H 1 79 ASN H 4.000 . 4.750 3.715 3.499 4.133 . 0 0 "[ . 1 . 2]" 1
719 1 79 ASN H 1 81 PHE H 5.000 . 6.000 4.038 3.736 4.147 . 0 0 "[ . 1 . 2]" 1
720 1 81 PHE H 1 83 ALA H 4.000 . 4.750 4.015 3.736 4.291 . 0 0 "[ . 1 . 2]" 1
721 1 83 ALA H 1 85 TYR H 5.000 . 6.000 4.060 3.838 4.305 . 0 0 "[ . 1 . 2]" 1
722 1 90 LYS QB 1 92 HIS H 5.000 . 6.000 5.047 4.114 5.450 . 0 0 "[ . 1 . 2]" 1
723 1 4 LEU H 1 7 ASN QD 5.000 . 6.000 5.177 3.867 6.014 0.014 20 0 "[ . 1 . 2]" 1
724 1 4 LEU HA 1 7 ASN H 4.000 . 4.750 4.516 3.439 4.770 0.020 10 0 "[ . 1 . 2]" 1
725 1 4 LEU QB 1 7 ASN H 4.000 . 4.750 3.041 2.490 4.256 . 0 0 "[ . 1 . 2]" 1
726 1 4 LEU QB 1 7 ASN QB 3.000 . 3.500 3.141 2.520 3.565 0.065 8 0 "[ . 1 . 2]" 1
727 1 4 LEU QB 1 7 ASN QD 5.000 . 6.000 4.101 1.942 5.433 . 0 0 "[ . 1 . 2]" 1
728 1 4 LEU QD 1 7 ASN QD 5.000 . 6.000 4.014 2.521 5.319 . 0 0 "[ . 1 . 2]" 1
729 1 5 LYS HA 1 8 LYS H 3.000 . 3.500 3.218 2.927 3.526 0.026 17 0 "[ . 1 . 2]" 1
730 1 5 LYS HA 1 8 LYS QB 4.000 . 4.750 2.791 2.198 3.786 . 0 0 "[ . 1 . 2]" 1
731 1 6 ALA HA 1 9 ASP H 4.000 . 4.750 3.582 3.288 3.848 . 0 0 "[ . 1 . 2]" 1
732 1 6 ALA HA 1 9 ASP QB 3.000 . 3.500 2.698 2.353 2.881 . 0 0 "[ . 1 . 2]" 1
733 1 6 ALA MB 1 9 ASP QB 5.000 . 6.000 4.012 3.589 4.242 . 0 0 "[ . 1 . 2]" 1
734 1 7 ASN HA 1 10 LEU H 4.000 . 4.750 3.519 3.364 3.780 . 0 0 "[ . 1 . 2]" 1
735 1 7 ASN HA 1 10 LEU HG 5.000 . 6.000 4.834 3.658 6.008 0.008 11 0 "[ . 1 . 2]" 1
736 1 7 ASN HA 1 10 LEU QB 4.000 . 4.750 2.912 2.613 3.552 . 0 0 "[ . 1 . 2]" 1
737 1 8 LYS HA 1 11 ILE H 3.000 . 3.500 3.474 3.257 3.528 0.028 10 0 "[ . 1 . 2]" 1
738 1 8 LYS HA 1 11 ILE HB 3.000 . 3.500 2.864 2.285 3.418 . 0 0 "[ . 1 . 2]" 1
739 1 9 ASP HA 1 12 SER H 4.000 . 4.750 3.768 3.599 3.984 . 0 0 "[ . 1 . 2]" 1
740 1 9 ASP HA 1 12 SER QB 4.000 . 4.750 3.257 2.760 4.300 . 0 0 "[ . 1 . 2]" 1
741 1 10 LEU HA 1 13 ALA H 4.000 . 4.750 3.674 3.329 3.915 . 0 0 "[ . 1 . 2]" 1
742 1 10 LEU HA 1 13 ALA MB 4.000 . 4.750 2.601 2.185 2.941 . 0 0 "[ . 1 . 2]" 1
743 1 10 LEU MD1 1 13 ALA H 5.000 . 6.000 5.124 4.684 6.078 0.078 19 0 "[ . 1 . 2]" 1
744 1 10 LEU MD1 1 13 ALA MB 5.000 . 6.000 3.698 3.157 5.293 . 0 0 "[ . 1 . 2]" 1
745 1 10 LEU MD2 1 13 ALA H 5.000 . 6.000 5.306 4.919 5.877 . 0 0 "[ . 1 . 2]" 1
746 1 10 LEU MD2 1 13 ALA MB 4.000 . 4.750 3.862 3.179 4.777 0.027 4 0 "[ . 1 . 2]" 1
747 1 11 ILE HA 1 14 GLY H 4.000 . 4.750 3.620 3.506 3.755 . 0 0 "[ . 1 . 2]" 1
748 1 12 SER HA 1 15 LEU H 3.000 . 3.500 3.294 3.101 3.478 . 0 0 "[ . 1 . 2]" 1
749 1 12 SER HA 1 15 LEU HB3 3.000 . 3.500 3.539 3.478 3.564 0.064 2 0 "[ . 1 . 2]" 1
750 1 12 SER HA 1 15 LEU HB2 4.000 . 4.750 2.336 2.193 2.538 . 0 0 "[ . 1 . 2]" 1
751 1 12 SER HA 1 15 LEU QD 3.000 . 3.500 2.933 2.248 3.312 . 0 0 "[ . 1 . 2]" 1
752 1 13 ALA HA 1 16 LYS H 3.000 . 3.500 3.504 3.359 3.539 0.039 19 0 "[ . 1 . 2]" 1
753 1 13 ALA HA 1 16 LYS QB 3.000 . 3.500 3.043 2.666 3.554 0.054 10 0 "[ . 1 . 2]" 1
754 1 13 ALA HA 1 16 LYS QG 4.000 . 4.750 3.753 1.944 4.790 0.040 13 0 "[ . 1 . 2]" 1
755 1 14 GLY QA 1 17 GLU H 4.000 . 4.750 3.606 3.486 3.721 . 0 0 "[ . 1 . 2]" 1
756 1 14 GLY QA 1 17 GLU QB 3.000 . 3.500 2.973 2.677 3.562 0.062 13 0 "[ . 1 . 2]" 1
757 1 15 LEU HA 1 18 PHE H 4.000 . 4.750 3.590 3.333 3.841 . 0 0 "[ . 1 . 2]" 1
758 1 15 LEU HA 1 18 PHE HB3 4.000 . 4.750 2.909 2.486 3.360 . 0 0 "[ . 1 . 2]" 1
759 1 15 LEU HA 1 18 PHE HB2 4.000 . 4.750 3.186 2.627 3.763 . 0 0 "[ . 1 . 2]" 1
760 1 15 LEU QD 1 18 PHE HB2 5.000 . 6.000 4.941 4.342 5.427 . 0 0 "[ . 1 . 2]" 1
761 1 17 GLU HA 1 20 VAL H 4.000 . 4.750 3.567 3.402 3.748 . 0 0 "[ . 1 . 2]" 1
762 1 17 GLU HA 1 20 VAL HB 3.000 . 3.500 3.261 3.055 3.471 . 0 0 "[ . 1 . 2]" 1
763 1 17 GLU HA 1 20 VAL MG2 5.000 . 6.000 2.354 1.957 2.913 . 0 0 "[ . 1 . 2]" 1
764 1 18 PHE HA 1 21 LEU H 4.000 . 4.750 3.475 3.260 3.657 . 0 0 "[ . 1 . 2]" 1
765 1 18 PHE HA 1 21 LEU HB3 3.000 . 3.500 2.574 2.129 3.206 . 0 0 "[ . 1 . 2]" 1
766 1 18 PHE HA 1 21 LEU HB2 5.000 . 6.000 3.691 2.632 4.698 . 0 0 "[ . 1 . 2]" 1
767 1 18 PHE HA 1 21 LEU MD1 5.000 . 6.000 4.821 2.430 5.296 . 0 0 "[ . 1 . 2]" 1
768 1 18 PHE HA 1 21 LEU MD2 5.000 . 6.000 3.370 2.662 4.987 . 0 0 "[ . 1 . 2]" 1
769 1 18 PHE QD 1 21 LEU MD1 5.000 . 6.000 5.399 2.938 5.969 . 0 0 "[ . 1 . 2]" 1
770 1 18 PHE QD 1 21 LEU MD2 5.000 . 6.000 3.640 2.577 5.486 . 0 0 "[ . 1 . 2]" 1
771 1 19 SER HA 1 22 LEU H 5.000 . 6.000 3.504 3.146 3.726 . 0 0 "[ . 1 . 2]" 1
772 1 19 SER HA 1 22 LEU MD1 5.000 . 6.000 3.084 1.883 4.454 . 0 0 "[ . 1 . 2]" 1
773 1 19 SER HA 1 22 LEU MD2 5.000 . 6.000 4.735 3.546 5.433 . 0 0 "[ . 1 . 2]" 1
774 1 19 SER HA 1 22 LEU QB 3.000 . 3.500 2.934 1.967 3.520 0.020 10 0 "[ . 1 . 2]" 1
775 1 19 SER QB 1 22 LEU MD1 5.000 . 6.000 4.545 3.457 5.534 . 0 0 "[ . 1 . 2]" 1
776 1 20 VAL HA 1 23 ASN H 4.000 . 4.750 3.562 3.304 3.883 . 0 0 "[ . 1 . 2]" 1
777 1 20 VAL HA 1 23 ASN QB 3.000 . 3.500 2.941 2.269 3.547 0.047 5 0 "[ . 1 . 2]" 1
778 1 20 VAL HA 1 23 ASN QD 4.000 . 4.750 3.652 1.933 4.776 0.026 2 0 "[ . 1 . 2]" 1
779 1 20 VAL MG2 1 23 ASN QD 5.000 . 6.000 4.740 3.184 5.749 . 0 0 "[ . 1 . 2]" 1
780 1 21 LEU HA 1 24 GLN H 5.000 . 6.000 3.698 3.125 4.015 . 0 0 "[ . 1 . 2]" 1
781 1 21 LEU HA 1 24 GLN QB 4.000 . 4.750 3.189 2.407 4.395 . 0 0 "[ . 1 . 2]" 1
782 1 21 LEU HA 1 24 GLN QE 5.000 . 6.000 3.256 2.144 4.496 . 0 0 "[ . 1 . 2]" 1
783 1 21 LEU MD1 1 24 GLN QE 5.000 . 6.000 3.920 2.466 5.960 . 0 0 "[ . 1 . 2]" 1
784 1 21 LEU MD2 1 24 GLN QE 5.000 . 6.000 5.305 3.772 6.001 0.001 16 0 "[ . 1 . 2]" 1
785 1 22 LEU HA 1 25 GLN H 5.000 . 6.000 4.959 3.855 5.704 . 0 0 "[ . 1 . 2]" 1
786 1 22 LEU HA 1 25 GLN QG 4.000 . 4.750 4.094 2.270 4.848 0.098 10 0 "[ . 1 . 2]" 1
787 1 22 LEU MD2 1 25 GLN QG 5.000 . 6.000 4.615 3.070 5.757 . 0 0 "[ . 1 . 2]" 1
788 1 22 LEU QB 1 25 GLN H 5.000 . 6.000 5.609 4.770 6.099 0.099 10 0 "[ . 1 . 2]" 1
789 1 24 GLN HA 1 27 PHE QD 5.000 . 6.000 5.859 5.136 6.184 0.184 10 0 "[ . 1 . 2]" 1
790 1 24 GLN HA 1 27 PHE QE 5.000 . 6.000 5.409 4.747 6.015 0.015 18 0 "[ . 1 . 2]" 1
791 1 33 SER HA 1 36 ASP H 4.000 . 4.750 4.454 3.074 4.773 0.023 10 0 "[ . 1 . 2]" 1
792 1 34 GLU HA 1 37 MET H 4.000 . 4.750 3.712 3.482 4.186 . 0 0 "[ . 1 . 2]" 1
793 1 35 GLU HA 1 38 VAL H 3.000 . 3.500 3.514 3.420 3.561 0.061 8 0 "[ . 1 . 2]" 1
794 1 35 GLU HA 1 38 VAL HB 3.000 . 3.500 2.280 2.218 2.422 . 0 0 "[ . 1 . 2]" 1
795 1 35 GLU HA 1 38 VAL MG1 3.000 . 3.500 3.535 3.507 3.567 0.067 6 0 "[ . 1 . 2]" 1
796 1 35 GLU HA 1 38 VAL MG2 4.000 . 4.750 2.683 2.188 3.132 . 0 0 "[ . 1 . 2]" 1
797 1 36 ASP HA 1 39 THR H 3.000 . 3.500 3.552 3.509 3.579 0.079 16 0 "[ . 1 . 2]" 1
798 1 36 ASP HA 1 39 THR HB 4.000 . 4.750 3.343 2.957 4.412 . 0 0 "[ . 1 . 2]" 1
799 1 36 ASP HA 1 39 THR MG 5.000 . 6.000 4.109 2.806 4.654 . 0 0 "[ . 1 . 2]" 1
800 1 37 MET HA 1 40 VAL H 3.000 . 3.500 3.399 3.263 3.508 0.008 1 0 "[ . 1 . 2]" 1
801 1 37 MET HA 1 40 VAL HA 5.000 . 6.000 5.211 4.953 5.373 . 0 0 "[ . 1 . 2]" 1
802 1 37 MET HA 1 40 VAL HB 4.000 . 4.750 2.737 2.376 2.950 . 0 0 "[ . 1 . 2]" 1
803 1 37 MET HA 1 40 VAL MG1 5.000 . 6.000 3.903 3.419 4.079 . 0 0 "[ . 1 . 2]" 1
804 1 37 MET HA 1 40 VAL MG2 5.000 . 6.000 2.102 1.910 3.566 . 0 0 "[ . 1 . 2]" 1
805 1 37 MET ME 1 40 VAL H 5.000 . 6.000 5.545 4.769 6.037 0.037 6 0 "[ . 1 . 2]" 1
806 1 37 MET ME 1 40 VAL MG1 5.000 . 6.000 4.012 2.436 6.028 0.028 20 0 "[ . 1 . 2]" 1
807 1 38 VAL HA 1 41 VAL H 5.000 . 6.000 3.522 3.298 3.696 . 0 0 "[ . 1 . 2]" 1
808 1 38 VAL HA 1 41 VAL HB 3.000 . 3.500 3.191 2.732 3.391 . 0 0 "[ . 1 . 2]" 1
809 1 38 VAL HA 1 41 VAL MG1 5.000 . 6.000 4.489 4.103 4.759 . 0 0 "[ . 1 . 2]" 1
810 1 38 VAL MG1 1 41 VAL H 5.000 . 6.000 4.672 4.425 4.943 . 0 0 "[ . 1 . 2]" 1
811 1 39 THR HA 1 42 GLU H 4.000 . 4.750 3.517 3.244 3.777 . 0 0 "[ . 1 . 2]" 1
812 1 39 THR HA 1 42 GLU QB 3.000 . 3.500 2.702 2.092 3.244 . 0 0 "[ . 1 . 2]" 1
813 1 39 THR MG 1 42 GLU QB 5.000 . 6.000 3.886 3.233 4.785 . 0 0 "[ . 1 . 2]" 1
814 1 40 VAL HA 1 43 ASP H 4.000 . 4.750 3.605 3.428 3.799 . 0 0 "[ . 1 . 2]" 1
815 1 40 VAL HA 1 43 ASP HA 5.000 . 6.000 5.497 5.079 5.903 . 0 0 "[ . 1 . 2]" 1
816 1 40 VAL HA 1 43 ASP QB 4.000 . 4.750 2.848 2.132 4.150 . 0 0 "[ . 1 . 2]" 1
817 1 41 VAL HA 1 44 TRP H 4.000 . 4.750 3.624 3.471 3.774 . 0 0 "[ . 1 . 2]" 1
818 1 41 VAL HA 1 44 TRP HB3 4.000 . 4.750 4.466 4.003 4.762 0.012 18 0 "[ . 1 . 2]" 1
819 1 41 VAL HA 1 44 TRP HB2 3.000 . 3.500 2.854 2.498 3.136 . 0 0 "[ . 1 . 2]" 1
820 1 41 VAL HA 1 44 TRP HD1 5.000 . 6.000 5.976 5.736 6.043 0.043 10 0 "[ . 1 . 2]" 1
821 1 41 VAL HA 1 44 TRP HE3 4.000 . 4.750 2.701 2.221 3.355 . 0 0 "[ . 1 . 2]" 1
822 1 41 VAL HA 1 44 TRP HZ3 5.000 . 6.000 4.194 3.801 5.041 . 0 0 "[ . 1 . 2]" 1
823 1 41 VAL MG1 1 44 TRP H 5.000 . 6.000 4.798 4.594 5.004 . 0 0 "[ . 1 . 2]" 1
824 1 41 VAL MG1 1 44 TRP HZ3 5.000 . 6.000 4.919 4.256 5.563 . 0 0 "[ . 1 . 2]" 1
825 1 41 VAL MG2 1 44 TRP HE3 5.000 . 6.000 3.585 2.931 4.152 . 0 0 "[ . 1 . 2]" 1
826 1 41 VAL MG2 1 44 TRP HZ3 5.000 . 6.000 3.595 3.084 4.599 . 0 0 "[ . 1 . 2]" 1
827 1 42 GLU HA 1 45 MET H 4.000 . 4.750 3.670 3.501 3.864 . 0 0 "[ . 1 . 2]" 1
828 1 42 GLU HA 1 45 MET ME 4.000 . 4.750 3.133 2.598 4.033 . 0 0 "[ . 1 . 2]" 1
829 1 42 GLU HA 1 45 MET QB 3.000 . 3.500 3.017 2.514 3.534 0.034 18 0 "[ . 1 . 2]" 1
830 1 42 GLU QG 1 45 MET ME 3.000 . 3.500 3.264 2.735 3.524 0.024 18 0 "[ . 1 . 2]" 1
831 1 43 ASP HA 1 46 ASN H 4.000 . 4.750 3.733 3.519 3.905 . 0 0 "[ . 1 . 2]" 1
832 1 43 ASP HA 1 46 ASN QB 3.000 . 3.500 3.044 2.672 3.514 0.014 2 0 "[ . 1 . 2]" 1
833 1 43 ASP HA 1 46 ASN QD 4.000 . 4.750 4.118 1.969 4.754 0.004 13 0 "[ . 1 . 2]" 1
834 1 44 TRP HA 1 47 PHE H 5.000 . 6.000 3.561 3.440 3.717 . 0 0 "[ . 1 . 2]" 1
835 1 44 TRP HA 1 47 PHE QB 4.000 . 4.750 2.585 2.469 2.729 . 0 0 "[ . 1 . 2]" 1
836 1 44 TRP HD1 1 47 PHE H 5.000 . 6.000 5.365 5.249 5.485 . 0 0 "[ . 1 . 2]" 1
837 1 44 TRP HD1 1 47 PHE QB 5.000 . 6.000 3.741 3.560 4.030 . 0 0 "[ . 1 . 2]" 1
838 1 45 MET HA 1 48 TYR H 3.000 . 3.500 3.514 3.426 3.547 0.047 3 0 "[ . 1 . 2]" 1
839 1 45 MET HA 1 48 TYR QD 4.000 . 4.750 3.334 2.632 4.377 . 0 0 "[ . 1 . 2]" 1
840 1 45 MET HA 1 48 TYR QE 5.000 . 6.000 5.339 4.721 5.999 . 0 0 "[ . 1 . 2]" 1
841 1 46 ASN HA 1 49 ILE H 3.000 . 3.500 3.512 3.364 3.568 0.068 19 0 "[ . 1 . 2]" 1
842 1 46 ASN HA 1 49 ILE HB 3.000 . 3.500 2.960 2.586 3.327 . 0 0 "[ . 1 . 2]" 1
843 1 46 ASN HA 1 49 ILE QG 5.000 . 6.000 3.913 3.114 4.639 . 0 0 "[ . 1 . 2]" 1
844 1 47 PHE HA 1 50 ASN H 4.000 . 4.750 3.813 3.637 3.985 . 0 0 "[ . 1 . 2]" 1
845 1 47 PHE HA 1 50 ASN QB 4.000 . 4.750 3.053 2.631 4.332 . 0 0 "[ . 1 . 2]" 1
846 1 48 TYR HA 1 51 TYR H 4.000 . 4.750 3.589 3.427 3.776 . 0 0 "[ . 1 . 2]" 1
847 1 48 TYR HA 1 51 TYR HB3 4.000 . 4.750 2.978 2.738 3.342 . 0 0 "[ . 1 . 2]" 1
848 1 48 TYR HA 1 51 TYR HB2 3.000 . 3.500 3.512 3.490 3.532 0.032 16 0 "[ . 1 . 2]" 1
849 1 48 TYR HA 1 51 TYR QD 5.000 . 6.000 4.682 3.819 5.069 . 0 0 "[ . 1 . 2]" 1
850 1 48 TYR QD 1 51 TYR QD 5.000 . 6.000 5.118 3.757 5.942 . 0 0 "[ . 1 . 2]" 1
851 1 49 ILE HA 1 52 TYR H 4.000 . 4.750 3.661 3.410 3.905 . 0 0 "[ . 1 . 2]" 1
852 1 49 ILE HA 1 52 TYR QB 4.000 . 4.750 2.768 2.547 3.069 . 0 0 "[ . 1 . 2]" 1
853 1 49 ILE HA 1 52 TYR QD 4.000 . 4.750 3.636 2.966 4.596 . 0 0 "[ . 1 . 2]" 1
854 1 49 ILE MG 1 52 TYR H 5.000 . 6.000 4.867 4.545 5.104 . 0 0 "[ . 1 . 2]" 1
855 1 49 ILE MG 1 52 TYR QB 5.000 . 6.000 4.344 3.921 5.140 . 0 0 "[ . 1 . 2]" 1
856 1 49 ILE MD 1 52 TYR H 5.000 . 6.000 5.313 4.955 5.646 . 0 0 "[ . 1 . 2]" 1
857 1 49 ILE MD 1 52 TYR QB 4.000 . 4.750 4.132 3.561 4.784 0.034 13 0 "[ . 1 . 2]" 1
858 1 49 ILE MD 1 52 TYR QD 4.000 . 4.750 4.210 3.418 4.765 0.015 8 0 "[ . 1 . 2]" 1
859 1 49 ILE MD 1 52 TYR QE 5.000 . 6.000 5.501 4.829 6.004 0.004 19 0 "[ . 1 . 2]" 1
860 1 50 ASN HA 1 53 ARG H 4.000 . 4.750 3.670 3.428 3.886 . 0 0 "[ . 1 . 2]" 1
861 1 50 ASN HA 1 53 ARG QB 4.000 . 4.750 3.000 2.263 3.850 . 0 0 "[ . 1 . 2]" 1
862 1 50 ASN HA 1 53 ARG QD 5.000 . 6.000 3.190 1.829 5.242 . 0 0 "[ . 1 . 2]" 1
863 1 51 TYR HA 1 54 GLN H 5.000 . 6.000 3.808 3.542 4.000 . 0 0 "[ . 1 . 2]" 1
864 1 51 TYR HA 1 54 GLN QB 3.000 . 3.500 3.444 3.106 3.533 0.033 17 0 "[ . 1 . 2]" 1
865 1 52 TYR HA 1 55 GLN H 4.000 . 4.750 3.141 2.890 3.528 . 0 0 "[ . 1 . 2]" 1
866 1 52 TYR HA 1 55 GLN QB 4.000 . 4.750 2.488 1.900 3.939 . 0 0 "[ . 1 . 2]" 1
867 1 52 TYR HA 1 55 GLN QG 4.000 . 4.750 3.411 1.885 4.171 . 0 0 "[ . 1 . 2]" 1
868 1 52 TYR HA 1 55 GLN QE 5.000 . 6.000 4.829 3.641 5.557 . 0 0 "[ . 1 . 2]" 1
869 1 52 TYR QB 1 55 GLN QG 5.000 . 6.000 5.025 3.241 5.766 . 0 0 "[ . 1 . 2]" 1
870 1 52 TYR QD 1 55 GLN QB 4.000 . 4.750 3.108 2.441 4.264 . 0 0 "[ . 1 . 2]" 1
871 1 52 TYR QD 1 55 GLN QG 4.000 . 4.750 3.621 2.290 4.513 . 0 0 "[ . 1 . 2]" 1
872 1 52 TYR QE 1 55 GLN QB 5.000 . 6.000 4.481 3.823 5.435 . 0 0 "[ . 1 . 2]" 1
873 1 52 TYR QE 1 55 GLN QG 4.000 . 4.750 4.439 4.017 4.762 0.012 7 0 "[ . 1 . 2]" 1
874 1 53 ARG HA 1 56 VAL H 5.000 . 6.000 4.689 3.937 5.776 . 0 0 "[ . 1 . 2]" 1
875 1 59 GLU H 1 62 GLU H 5.000 . 6.000 4.007 3.413 4.692 . 0 0 "[ . 1 . 2]" 1
876 1 59 GLU H 1 62 GLU HA 5.000 . 6.000 5.664 5.063 6.253 0.253 5 0 "[ . 1 . 2]" 1
877 1 59 GLU HA 1 62 GLU QB 4.000 . 4.750 4.348 3.898 4.757 0.007 12 0 "[ . 1 . 2]" 1
878 1 59 GLU QB 1 62 GLU H 4.000 . 4.750 3.079 2.051 3.651 . 0 0 "[ . 1 . 2]" 1
879 1 60 PRO HA 1 63 ARG H 3.000 . 3.500 3.462 3.186 3.556 0.056 10 0 "[ . 1 . 2]" 1
880 1 60 PRO HA 1 63 ARG HE 5.000 . 6.000 3.937 2.507 5.728 . 0 0 "[ . 1 . 2]" 1
881 1 60 PRO HA 1 63 ARG QB 4.000 . 4.750 2.804 2.345 3.959 . 0 0 "[ . 1 . 2]" 1
882 1 61 GLN HA 1 64 ASP H 4.000 . 4.750 3.694 3.565 3.982 . 0 0 "[ . 1 . 2]" 1
883 1 61 GLN HA 1 64 ASP QB 3.000 . 3.500 2.873 2.625 3.525 0.025 13 0 "[ . 1 . 2]" 1
884 1 61 GLN QB 1 64 ASP QB 5.000 . 6.000 4.563 4.278 5.216 . 0 0 "[ . 1 . 2]" 1
885 1 62 GLU HA 1 65 LYS H 4.000 . 4.750 3.794 3.464 4.021 . 0 0 "[ . 1 . 2]" 1
886 1 62 GLU HA 1 65 LYS QB 3.000 . 3.500 2.875 2.407 3.306 . 0 0 "[ . 1 . 2]" 1
887 1 62 GLU QG 1 65 LYS H 5.000 . 6.000 5.432 4.984 5.781 . 0 0 "[ . 1 . 2]" 1
888 1 63 ARG HA 1 66 ALA H 5.000 . 6.000 3.663 3.330 3.924 . 0 0 "[ . 1 . 2]" 1
889 1 63 ARG HA 1 66 ALA MB 4.000 . 4.750 2.872 2.407 3.364 . 0 0 "[ . 1 . 2]" 1
890 1 64 ASP HA 1 67 LEU H 4.000 . 4.750 3.671 3.330 4.027 . 0 0 "[ . 1 . 2]" 1
891 1 64 ASP HA 1 67 LEU HB3 4.000 . 4.750 3.969 3.330 4.621 . 0 0 "[ . 1 . 2]" 1
892 1 64 ASP HA 1 67 LEU HB2 4.000 . 4.750 2.645 2.164 3.286 . 0 0 "[ . 1 . 2]" 1
893 1 64 ASP QB 1 67 LEU HB2 5.000 . 6.000 4.645 4.195 5.230 . 0 0 "[ . 1 . 2]" 1
894 1 65 LYS HA 1 68 GLN H 3.000 . 3.500 3.522 3.471 3.555 0.055 16 0 "[ . 1 . 2]" 1
895 1 65 LYS HA 1 68 GLN QB 3.000 . 3.500 3.036 2.457 3.531 0.031 10 0 "[ . 1 . 2]" 1
896 1 65 LYS QG 1 68 GLN QG 4.000 . 4.750 4.057 2.918 4.765 0.015 2 0 "[ . 1 . 2]" 1
897 1 65 LYS QD 1 68 GLN QG 4.000 . 4.750 4.472 3.014 4.790 0.040 5 0 "[ . 1 . 2]" 1
898 1 67 LEU HA 1 70 LEU H 3.000 . 3.500 3.454 3.299 3.552 0.052 4 0 "[ . 1 . 2]" 1
899 1 67 LEU HA 1 70 LEU QB 3.000 . 3.500 2.602 2.434 2.826 . 0 0 "[ . 1 . 2]" 1
900 1 68 GLN HA 1 71 ARG H 3.000 . 3.500 3.534 3.505 3.553 0.053 8 0 "[ . 1 . 2]" 1
901 1 68 GLN HA 1 71 ARG QB 3.000 . 3.500 2.979 2.731 3.529 0.029 2 0 "[ . 1 . 2]" 1
902 1 69 GLU HA 1 72 GLN H 3.000 . 3.500 3.521 3.417 3.572 0.072 6 0 "[ . 1 . 2]" 1
903 1 69 GLU HA 1 72 GLN QB 3.000 . 3.500 2.852 2.420 3.523 0.023 1 0 "[ . 1 . 2]" 1
904 1 69 GLU HA 1 72 GLN QE 5.000 . 6.000 4.499 2.072 6.021 0.021 10 0 "[ . 1 . 2]" 1
905 1 70 LEU HA 1 73 GLU H 4.000 . 4.750 3.597 3.451 3.844 . 0 0 "[ . 1 . 2]" 1
906 1 70 LEU HA 1 73 GLU QB 3.000 . 3.500 2.927 2.498 3.564 0.064 6 0 "[ . 1 . 2]" 1
907 1 70 LEU QD 1 73 GLU H 5.000 . 6.000 4.591 4.115 5.262 . 0 0 "[ . 1 . 2]" 1
908 1 70 LEU QD 1 73 GLU QB 4.000 . 4.750 3.599 2.943 4.161 . 0 0 "[ . 1 . 2]" 1
909 1 71 ARG H 1 74 LEU MD1 5.000 . 6.000 4.260 3.647 6.022 0.022 15 0 "[ . 1 . 2]" 1
910 1 71 ARG HA 1 74 LEU H 4.000 . 4.750 3.614 3.438 3.925 . 0 0 "[ . 1 . 2]" 1
911 1 71 ARG HA 1 74 LEU MD1 5.000 . 6.000 2.767 2.152 4.463 . 0 0 "[ . 1 . 2]" 1
912 1 71 ARG HA 1 74 LEU QB 3.000 . 3.500 2.673 2.401 2.828 . 0 0 "[ . 1 . 2]" 1
913 1 72 GLN HA 1 75 ASN H 3.000 . 3.500 3.517 3.345 3.560 0.060 8 0 "[ . 1 . 2]" 1
914 1 72 GLN HA 1 75 ASN QB 4.000 . 4.750 2.889 2.497 4.184 . 0 0 "[ . 1 . 2]" 1
915 1 72 GLN HA 1 75 ASN QD 4.000 . 4.750 3.494 1.900 4.713 . 0 0 "[ . 1 . 2]" 1
916 1 73 GLU HA 1 76 THR H 4.000 . 4.750 3.519 3.238 3.713 . 0 0 "[ . 1 . 2]" 1
917 1 73 GLU HA 1 76 THR HB 4.000 . 4.750 3.351 2.387 4.321 . 0 0 "[ . 1 . 2]" 1
918 1 73 GLU HA 1 76 THR MG 5.000 . 6.000 2.819 1.810 4.019 . 0 0 "[ . 1 . 2]" 1
919 1 73 GLU QG 1 76 THR MG 5.000 . 6.000 4.485 3.254 5.861 . 0 0 "[ . 1 . 2]" 1
920 1 74 LEU HA 1 77 LEU H 3.000 . 3.500 3.271 3.012 3.505 0.005 16 0 "[ . 1 . 2]" 1
921 1 74 LEU HA 1 77 LEU MD1 5.000 . 6.000 3.502 2.997 4.771 . 0 0 "[ . 1 . 2]" 1
922 1 74 LEU HA 1 77 LEU MD2 5.000 . 6.000 4.853 4.173 5.214 . 0 0 "[ . 1 . 2]" 1
923 1 74 LEU MD2 1 77 LEU HG 5.000 . 6.000 4.606 3.911 5.233 . 0 0 "[ . 1 . 2]" 1
924 1 74 LEU MD2 1 77 LEU MD1 5.000 . 6.000 3.398 2.636 4.579 . 0 0 "[ . 1 . 2]" 1
925 1 74 LEU MD2 1 77 LEU MD2 5.000 . 6.000 5.274 4.840 5.792 . 0 0 "[ . 1 . 2]" 1
926 1 75 ASN HA 1 78 ALA H 3.000 . 3.500 3.551 3.497 3.620 0.120 3 0 "[ . 1 . 2]" 1
927 1 75 ASN HA 1 78 ALA MB 4.000 . 4.750 2.741 2.355 3.111 . 0 0 "[ . 1 . 2]" 1
928 1 76 THR HA 1 79 ASN H 3.000 . 3.500 3.539 3.486 3.596 0.096 16 0 "[ . 1 . 2]" 1
929 1 76 THR HA 1 79 ASN QB 4.000 . 4.750 2.477 2.273 2.859 . 0 0 "[ . 1 . 2]" 1
930 1 76 THR HA 1 79 ASN QD 5.000 . 6.000 3.571 1.901 5.131 . 0 0 "[ . 1 . 2]" 1
931 1 78 ALA H 1 81 PHE QD 5.000 . 6.000 5.927 5.392 6.046 0.046 10 0 "[ . 1 . 2]" 1
932 1 78 ALA HA 1 81 PHE H 3.000 . 3.500 3.403 3.294 3.548 0.048 16 0 "[ . 1 . 2]" 1
933 1 78 ALA HA 1 81 PHE HB3 5.000 . 6.000 2.481 2.221 2.827 . 0 0 "[ . 1 . 2]" 1
934 1 78 ALA HA 1 81 PHE HB2 3.000 . 3.500 3.336 2.580 3.527 0.027 13 0 "[ . 1 . 2]" 1
935 1 78 ALA HA 1 81 PHE QD 4.000 . 4.750 3.313 2.870 3.725 . 0 0 "[ . 1 . 2]" 1
936 1 78 ALA HA 1 81 PHE QE 5.000 . 6.000 5.533 5.099 5.684 . 0 0 "[ . 1 . 2]" 1
937 1 78 ALA MB 1 81 PHE H 5.000 . 6.000 4.515 4.410 4.625 . 0 0 "[ . 1 . 2]" 1
938 1 78 ALA MB 1 81 PHE HB3 5.000 . 6.000 3.646 3.442 3.838 . 0 0 "[ . 1 . 2]" 1
939 1 79 ASN HA 1 82 LEU QB 4.000 . 4.750 3.168 2.814 3.528 . 0 0 "[ . 1 . 2]" 1
940 1 80 PRO HA 1 83 ALA H 4.000 . 4.750 3.681 3.452 3.825 . 0 0 "[ . 1 . 2]" 1
941 1 80 PRO HA 1 83 ALA MB 3.000 . 3.500 2.883 2.558 3.204 . 0 0 "[ . 1 . 2]" 1
942 1 80 PRO QB 1 83 ALA MB 5.000 . 6.000 4.394 4.084 4.597 . 0 0 "[ . 1 . 2]" 1
943 1 81 PHE HA 1 84 LYS H 4.000 . 4.750 3.637 3.316 3.822 . 0 0 "[ . 1 . 2]" 1
944 1 81 PHE HA 1 84 LYS QB 4.000 . 4.750 2.803 2.323 3.778 . 0 0 "[ . 1 . 2]" 1
945 1 81 PHE QE 1 84 LYS QG 5.000 . 6.000 5.393 4.010 6.009 0.009 13 0 "[ . 1 . 2]" 1
946 1 82 LEU HA 1 85 TYR H 3.000 . 3.500 3.544 3.521 3.582 0.082 10 0 "[ . 1 . 2]" 1
947 1 82 LEU HA 1 85 TYR HB3 4.000 . 4.750 3.416 2.879 3.879 . 0 0 "[ . 1 . 2]" 1
948 1 82 LEU HA 1 85 TYR HB2 3.000 . 3.500 3.499 3.253 3.588 0.088 6 0 "[ . 1 . 2]" 1
949 1 82 LEU MD2 1 85 TYR QD 5.000 . 6.000 4.962 3.795 6.032 0.032 10 0 "[ . 1 . 2]" 1
950 1 83 ALA HA 1 86 ARG H 3.000 . 3.500 3.475 3.284 3.544 0.044 10 0 "[ . 1 . 2]" 1
951 1 83 ALA HA 1 86 ARG QB 3.000 . 3.500 2.730 2.292 3.524 0.024 13 0 "[ . 1 . 2]" 1
952 1 84 LYS HA 1 87 ASP H 4.000 . 4.750 3.731 3.527 3.931 . 0 0 "[ . 1 . 2]" 1
953 1 84 LYS HA 1 87 ASP QB 3.000 . 3.500 3.026 2.631 3.525 0.025 10 0 "[ . 1 . 2]" 1
954 1 85 TYR HA 1 88 PHE H 4.000 . 4.750 3.313 3.001 3.561 . 0 0 "[ . 1 . 2]" 1
955 1 85 TYR HA 1 88 PHE HB3 4.000 . 4.750 2.426 2.086 2.953 . 0 0 "[ . 1 . 2]" 1
956 1 85 TYR HA 1 88 PHE HB2 4.000 . 4.750 3.118 2.482 3.894 . 0 0 "[ . 1 . 2]" 1
957 1 85 TYR HA 1 88 PHE QD 4.000 . 4.750 3.849 3.158 4.466 . 0 0 "[ . 1 . 2]" 1
958 1 85 TYR QD 1 88 PHE QD 5.000 . 6.000 3.906 2.791 4.439 . 0 0 "[ . 1 . 2]" 1
959 1 85 TYR QD 1 88 PHE QE 5.000 . 6.000 5.178 3.813 5.786 . 0 0 "[ . 1 . 2]" 1
960 1 85 TYR QE 1 88 PHE QD 4.000 . 4.750 4.059 2.717 4.443 . 0 0 "[ . 1 . 2]" 1
961 1 85 TYR QE 1 88 PHE QE 4.000 . 4.750 4.461 2.576 4.800 0.050 8 0 "[ . 1 . 2]" 1
962 1 86 ARG HA 1 89 LEU H 3.000 . 3.500 3.527 3.443 3.626 0.126 13 0 "[ . 1 . 2]" 1
963 1 86 ARG HA 1 89 LEU HG 5.000 . 6.000 4.334 2.171 6.011 0.011 3 0 "[ . 1 . 2]" 1
964 1 86 ARG HA 1 89 LEU QB 5.000 . 6.000 3.279 2.534 4.427 . 0 0 "[ . 1 . 2]" 1
965 1 86 ARG HA 1 89 LEU QD 5.000 . 6.000 3.362 1.739 4.212 0.061 13 0 "[ . 1 . 2]" 1
966 1 87 ASP HA 1 90 LYS H 4.000 . 4.750 3.482 3.200 3.759 . 0 0 "[ . 1 . 2]" 1
967 1 87 ASP HA 1 90 LYS QB 3.000 . 3.500 2.775 2.207 3.312 . 0 0 "[ . 1 . 2]" 1
968 1 88 PHE HA 1 91 SER H 4.000 . 4.750 3.654 3.516 3.886 . 0 0 "[ . 1 . 2]" 1
969 1 88 PHE HA 1 91 SER QB 3.000 . 3.500 2.966 2.390 3.522 0.022 14 0 "[ . 1 . 2]" 1
970 1 89 LEU H 1 92 HIS H 5.000 . 6.000 5.390 4.614 6.103 0.103 8 0 "[ . 1 . 2]" 1
971 1 89 LEU HA 1 92 HIS H 5.000 . 6.000 4.250 3.770 4.948 . 0 0 "[ . 1 . 2]" 1
972 1 89 LEU HA 1 92 HIS HD1 5.000 . 6.000 4.630 2.237 6.029 0.029 20 0 "[ . 1 . 2]" 1
973 1 89 LEU HA 1 92 HIS QB 5.000 . 6.000 4.222 2.998 5.866 . 0 0 "[ . 1 . 2]" 1
974 1 3 LEU QD 1 7 ASN H 5.000 . 6.000 5.152 4.197 6.031 0.031 19 0 "[ . 1 . 2]" 1
975 1 3 LEU QD 1 7 ASN QB 5.000 . 6.000 4.102 2.240 6.045 0.045 20 0 "[ . 1 . 2]" 1
976 1 6 ALA HA 1 10 LEU H 5.000 . 6.000 4.099 3.929 4.325 . 0 0 "[ . 1 . 2]" 1
977 1 6 ALA MB 1 10 LEU H 5.000 . 6.000 4.688 4.598 4.829 . 0 0 "[ . 1 . 2]" 1
978 1 7 ASN HA 1 11 ILE H 5.000 . 6.000 4.067 3.695 4.419 . 0 0 "[ . 1 . 2]" 1
979 1 9 ASP HA 1 13 ALA H 5.000 . 6.000 3.773 3.466 4.160 . 0 0 "[ . 1 . 2]" 1
980 1 9 ASP QB 1 13 ALA H 5.000 . 6.000 5.054 4.658 5.355 . 0 0 "[ . 1 . 2]" 1
981 1 9 ASP QB 1 13 ALA MB 5.000 . 6.000 4.377 3.715 4.984 . 0 0 "[ . 1 . 2]" 1
982 1 10 LEU HA 1 14 GLY H 4.000 . 4.750 3.934 3.459 4.147 . 0 0 "[ . 1 . 2]" 1
983 1 10 LEU MD1 1 14 GLY H 5.000 . 6.000 4.320 3.532 6.089 0.089 19 0 "[ . 1 . 2]" 1
984 1 11 ILE HA 1 15 LEU H 5.000 . 6.000 4.129 3.916 4.373 . 0 0 "[ . 1 . 2]" 1
985 1 11 ILE HA 1 15 LEU HB2 5.000 . 6.000 4.836 4.472 5.189 . 0 0 "[ . 1 . 2]" 1
986 1 11 ILE HA 1 15 LEU HG 5.000 . 6.000 5.989 5.807 6.068 0.068 20 0 "[ . 1 . 2]" 1
987 1 16 LYS QG 1 20 VAL H 5.000 . 6.000 4.706 4.055 5.757 . 0 0 "[ . 1 . 2]" 1
988 1 18 PHE HZ 1 22 LEU MD1 5.000 . 6.000 3.529 2.294 4.782 . 0 0 "[ . 1 . 2]" 1
989 1 18 PHE HZ 1 22 LEU MD2 5.000 . 6.000 3.709 2.734 6.000 . 9 0 "[ . 1 . 2]" 1
990 1 18 PHE QD 1 22 LEU HA 5.000 . 6.000 5.948 5.613 6.039 0.039 6 0 "[ . 1 . 2]" 1
991 1 18 PHE QD 1 22 LEU MD1 5.000 . 6.000 2.428 1.832 3.346 . 0 0 "[ . 1 . 2]" 1
992 1 18 PHE QD 1 22 LEU MD2 5.000 . 6.000 3.791 2.791 5.543 . 0 0 "[ . 1 . 2]" 1
993 1 18 PHE QE 1 22 LEU MD1 5.000 . 6.000 2.150 1.791 2.689 0.009 6 0 "[ . 1 . 2]" 1
994 1 18 PHE QE 1 22 LEU MD2 5.000 . 6.000 3.012 2.143 5.033 . 0 0 "[ . 1 . 2]" 1
995 1 19 SER QB 1 23 ASN QD 4.000 . 4.750 3.639 2.809 4.766 0.016 1 0 "[ . 1 . 2]" 1
996 1 20 VAL MG1 1 24 GLN HA 5.000 . 6.000 4.838 3.062 5.992 . 0 0 "[ . 1 . 2]" 1
997 1 20 VAL MG1 1 24 GLN QE 5.000 . 6.000 3.229 1.928 5.806 . 0 0 "[ . 1 . 2]" 1
998 1 21 LEU MD1 1 25 GLN QE 5.000 . 6.000 3.852 2.406 6.027 0.027 6 0 "[ . 1 . 2]" 1
999 1 32 VAL HB 1 36 ASP QB 5.000 . 6.000 5.422 3.798 6.057 0.057 6 0 "[ . 1 . 2]" 1
1000 1 32 VAL MG1 1 36 ASP QB 5.000 . 6.000 3.683 1.830 4.683 . 0 0 "[ . 1 . 2]" 1
1001 1 32 VAL MG2 1 36 ASP QB 5.000 . 6.000 2.912 1.780 3.980 0.020 14 0 "[ . 1 . 2]" 1
1002 1 34 GLU HA 1 38 VAL MG2 5.000 . 6.000 3.655 3.463 3.835 . 0 0 "[ . 1 . 2]" 1
1003 1 35 GLU HA 1 39 THR H 4.000 . 4.750 3.839 3.571 4.242 . 0 0 "[ . 1 . 2]" 1
1004 1 36 ASP HA 1 40 VAL MG2 5.000 . 6.000 3.815 3.648 4.599 . 0 0 "[ . 1 . 2]" 1
1005 1 36 ASP QB 1 40 VAL MG2 5.000 . 6.000 3.710 3.325 4.345 . 0 0 "[ . 1 . 2]" 1
1006 1 37 MET HA 1 41 VAL H 4.000 . 4.750 4.222 3.852 4.458 . 0 0 "[ . 1 . 2]" 1
1007 1 37 MET HA 1 41 VAL MG2 5.000 . 6.000 4.094 3.704 4.396 . 0 0 "[ . 1 . 2]" 1
1008 1 38 VAL HA 1 42 GLU QB 5.000 . 6.000 4.843 4.508 5.343 . 0 0 "[ . 1 . 2]" 1
1009 1 38 VAL MG1 1 42 GLU H 5.000 . 6.000 3.948 3.729 4.169 . 0 0 "[ . 1 . 2]" 1
1010 1 39 THR HA 1 43 ASP H 4.000 . 4.750 3.851 3.715 4.024 . 0 0 "[ . 1 . 2]" 1
1011 1 39 THR MG 1 43 ASP H 5.000 . 6.000 4.038 3.511 5.381 . 0 0 "[ . 1 . 2]" 1
1012 1 39 THR MG 1 43 ASP QB 5.000 . 6.000 3.417 2.693 5.342 . 0 0 "[ . 1 . 2]" 1
1013 1 40 VAL HA 1 44 TRP H 5.000 . 6.000 3.995 3.752 4.224 . 0 0 "[ . 1 . 2]" 1
1014 1 40 VAL MG1 1 44 TRP H 5.000 . 6.000 4.020 3.791 4.245 . 0 0 "[ . 1 . 2]" 1
1015 1 40 VAL MG1 1 44 TRP HD1 5.000 . 6.000 4.252 3.823 4.580 . 0 0 "[ . 1 . 2]" 1
1016 1 40 VAL MG1 1 44 TRP HE1 5.000 . 6.000 3.296 2.857 3.643 . 0 0 "[ . 1 . 2]" 1
1017 1 40 VAL MG1 1 44 TRP HE3 5.000 . 6.000 3.391 2.999 3.704 . 0 0 "[ . 1 . 2]" 1
1018 1 40 VAL MG1 1 44 TRP HZ2 5.000 . 6.000 2.634 2.449 2.970 . 0 0 "[ . 1 . 2]" 1
1019 1 40 VAL MG1 1 44 TRP HZ3 5.000 . 6.000 3.184 2.900 3.573 . 0 0 "[ . 1 . 2]" 1
1020 1 40 VAL MG1 1 44 TRP HH2 5.000 . 6.000 2.705 2.460 3.227 . 0 0 "[ . 1 . 2]" 1
1021 1 41 VAL HA 1 45 MET H 5.000 . 6.000 4.013 3.711 4.318 . 0 0 "[ . 1 . 2]" 1
1022 1 41 VAL MG1 1 45 MET H 5.000 . 6.000 3.944 3.643 4.177 . 0 0 "[ . 1 . 2]" 1
1023 1 41 VAL MG1 1 45 MET ME 5.000 . 6.000 3.318 2.008 4.646 . 0 0 "[ . 1 . 2]" 1
1024 1 41 VAL MG1 1 45 MET QG 5.000 . 6.000 4.215 2.515 5.057 . 0 0 "[ . 1 . 2]" 1
1025 1 42 GLU QB 1 46 ASN QD 5.000 . 6.000 4.856 2.897 6.015 0.015 12 0 "[ . 1 . 2]" 1
1026 1 42 GLU QG 1 46 ASN QD 5.000 . 6.000 4.896 2.940 6.007 0.007 17 0 "[ . 1 . 2]" 1
1027 1 47 PHE HZ 1 51 TYR QD 4.000 . 4.750 3.509 2.965 4.499 . 0 0 "[ . 1 . 2]" 1
1028 1 47 PHE HZ 1 51 TYR QE 4.000 . 4.750 3.836 3.321 4.756 0.006 17 0 "[ . 1 . 2]" 1
1029 1 47 PHE QE 1 51 TYR QD 4.000 . 4.750 3.536 3.195 4.058 . 0 0 "[ . 1 . 2]" 1
1030 1 48 TYR QB 1 52 TYR QD 5.000 . 6.000 2.947 2.307 4.061 . 0 0 "[ . 1 . 2]" 1
1031 1 48 TYR QB 1 52 TYR QE 5.000 . 6.000 3.363 2.374 4.405 . 0 0 "[ . 1 . 2]" 1
1032 1 48 TYR QD 1 52 TYR QB 4.000 . 4.750 4.745 4.607 4.802 0.052 19 0 "[ . 1 . 2]" 1
1033 1 48 TYR QD 1 52 TYR QE 3.000 . 3.500 2.385 1.978 3.062 . 0 0 "[ . 1 . 2]" 1
1034 1 49 ILE MG 1 53 ARG HE 5.000 . 6.000 4.421 1.802 5.953 . 0 0 "[ . 1 . 2]" 1
1035 1 51 TYR QD 1 55 GLN QG 5.000 . 6.000 3.573 1.994 5.224 . 0 0 "[ . 1 . 2]" 1
1036 1 51 TYR QE 1 55 GLN QG 4.000 . 4.750 3.650 2.343 4.754 0.004 17 0 "[ . 1 . 2]" 1
1037 1 52 TYR HA 1 56 VAL MG2 5.000 . 6.000 4.282 3.562 4.839 . 0 0 "[ . 1 . 2]" 1
1038 1 52 TYR QB 1 56 VAL MG1 5.000 . 6.000 5.728 4.622 6.042 0.042 19 0 "[ . 1 . 2]" 1
1039 1 52 TYR QB 1 56 VAL MG2 5.000 . 6.000 3.806 2.858 4.511 . 0 0 "[ . 1 . 2]" 1
1040 1 58 GLY QA 1 62 GLU QB 5.000 . 6.000 2.756 1.898 3.896 . 0 0 "[ . 1 . 2]" 1
1041 1 59 GLU QB 1 63 ARG H 4.000 . 4.750 4.576 3.673 4.921 0.171 7 0 "[ . 1 . 2]" 1
1042 1 60 PRO HA 1 64 ASP H 3.000 . 3.500 3.544 3.463 3.611 0.111 19 0 "[ . 1 . 2]" 1
1043 1 62 GLU HA 1 66 ALA H 5.000 . 6.000 3.828 3.407 4.153 . 0 0 "[ . 1 . 2]" 1
1044 1 70 LEU QB 1 74 LEU MD1 5.000 . 6.000 3.505 2.614 5.190 . 0 0 "[ . 1 . 2]" 1
1045 1 70 LEU QB 1 74 LEU MD2 5.000 . 6.000 5.041 3.879 5.525 . 0 0 "[ . 1 . 2]" 1
1046 1 70 LEU QD 1 74 LEU H 5.000 . 6.000 3.982 3.224 5.118 . 0 0 "[ . 1 . 2]" 1
1047 1 70 LEU QD 1 74 LEU MD1 5.000 . 6.000 2.158 1.788 3.027 0.012 12 0 "[ . 1 . 2]" 1
1048 1 70 LEU QD 1 74 LEU MD2 5.000 . 6.000 2.982 1.787 3.851 0.013 2 0 "[ . 1 . 2]" 1
1049 1 71 ARG HA 1 75 ASN H 5.000 . 6.000 4.051 3.743 4.296 . 0 0 "[ . 1 . 2]" 1
1050 1 71 ARG QG 1 75 ASN QD 4.000 . 4.750 3.215 2.170 4.755 0.005 5 0 "[ . 1 . 2]" 1
1051 1 73 GLU HA 1 77 LEU H 4.000 . 4.750 4.090 3.841 4.470 . 0 0 "[ . 1 . 2]" 1
1052 1 74 LEU HA 1 78 ALA H 3.000 . 3.500 3.603 3.557 3.632 0.132 9 0 "[ . 1 . 2]" 1
1053 1 75 ASN HA 1 79 ASN H 4.000 . 4.750 3.897 3.661 4.156 . 0 0 "[ . 1 . 2]" 1
1054 1 75 ASN QB 1 79 ASN QD 4.000 . 4.750 3.550 2.508 4.770 0.020 9 0 "[ . 1 . 2]" 1
1055 1 78 ALA MB 1 82 LEU MD1 5.000 . 6.000 4.384 2.287 5.706 . 0 0 "[ . 1 . 2]" 1
1056 1 80 PRO HA 1 84 LYS H 5.000 . 6.000 3.799 3.514 4.160 . 0 0 "[ . 1 . 2]" 1
1057 1 80 PRO QB 1 84 LYS H 4.000 . 4.750 4.704 4.537 4.770 0.020 8 0 "[ . 1 . 2]" 1
1058 1 81 PHE QD 1 85 TYR QD 5.000 . 6.000 4.278 3.632 4.891 . 0 0 "[ . 1 . 2]" 1
1059 1 83 ALA HA 1 87 ASP H 4.000 . 4.750 3.914 3.598 4.191 . 0 0 "[ . 1 . 2]" 1
1060 1 85 TYR HA 1 89 LEU QD 5.000 . 6.000 4.266 3.257 5.053 . 0 0 "[ . 1 . 2]" 1
1061 1 85 TYR QD 1 89 LEU QD 5.000 . 6.000 3.120 1.914 3.968 . 0 0 "[ . 1 . 2]" 1
1062 1 85 TYR QE 1 89 LEU HG 5.000 . 6.000 5.026 3.727 6.027 0.027 18 0 "[ . 1 . 2]" 1
1063 1 85 TYR QE 1 89 LEU QD 4.000 . 4.750 2.905 2.044 3.863 . 0 0 "[ . 1 . 2]" 1
1064 1 86 ARG HA 1 90 LYS H 5.000 . 6.000 4.007 3.688 4.296 . 0 0 "[ . 1 . 2]" 1
1065 1 86 ARG HE 1 90 LYS QB 5.000 . 6.000 5.161 3.158 6.003 0.003 3 0 "[ . 1 . 2]" 1
1066 1 87 ASP HA 1 91 SER H 5.000 . 6.000 3.953 3.602 4.211 . 0 0 "[ . 1 . 2]" 1
1067 1 88 PHE QE 1 92 HIS HE1 5.000 . 6.000 4.695 2.552 6.039 0.039 11 0 "[ . 1 . 2]" 1
1068 1 4 LEU QD 1 58 GLY QA 5.000 . 6.000 4.717 3.641 5.663 . 0 0 "[ . 1 . 2]" 1
1069 1 4 LEU QD 1 59 GLU H 5.000 . 6.000 5.909 5.255 6.046 0.046 15 0 "[ . 1 . 2]" 1
1070 1 7 ASN QD 1 66 ALA MB 5.000 . 6.000 3.422 1.987 5.519 . 0 0 "[ . 1 . 2]" 1
1071 1 10 LEU MD1 1 51 TYR QD 5.000 . 6.000 5.486 4.799 6.073 0.073 19 0 "[ . 1 . 2]" 1
1072 1 10 LEU MD1 1 51 TYR QE 5.000 . 6.000 5.948 5.219 6.010 0.010 18 0 "[ . 1 . 2]" 1
1073 1 10 LEU HA 1 52 TYR QE 5.000 . 6.000 4.552 3.504 5.051 . 0 0 "[ . 1 . 2]" 1
1074 1 10 LEU HG 1 52 TYR QD 5.000 . 6.000 4.399 3.779 5.461 . 0 0 "[ . 1 . 2]" 1
1075 1 10 LEU HG 1 52 TYR QE 5.000 . 6.000 4.076 2.039 5.125 . 0 0 "[ . 1 . 2]" 1
1076 1 10 LEU MD1 1 52 TYR HA 5.000 . 6.000 4.281 3.170 4.976 . 0 0 "[ . 1 . 2]" 1
1077 1 10 LEU MD1 1 52 TYR QD 4.000 . 4.750 2.803 1.971 3.696 . 0 0 "[ . 1 . 2]" 1
1078 1 10 LEU MD1 1 52 TYR QE 4.000 . 4.750 2.299 1.824 4.069 . 0 0 "[ . 1 . 2]" 1
1079 1 10 LEU QB 1 52 TYR QE 4.000 . 4.750 4.244 1.939 4.779 0.029 6 0 "[ . 1 . 2]" 1
1080 1 10 LEU MD1 1 55 GLN QB 4.000 . 4.750 3.274 2.489 4.242 . 0 0 "[ . 1 . 2]" 1
1081 1 10 LEU MD2 1 55 GLN QB 4.000 . 4.750 3.913 3.015 4.785 0.035 17 0 "[ . 1 . 2]" 1
1082 1 11 ILE MD 1 69 GLU QB 3.000 . 3.500 2.878 1.824 3.512 0.012 3 0 "[ . 1 . 2]" 1
1083 1 11 ILE H 1 70 LEU QD 4.000 . 4.750 4.562 4.030 4.767 0.017 6 0 "[ . 1 . 2]" 1
1084 1 11 ILE HA 1 70 LEU QD 3.000 . 3.500 2.633 2.188 2.881 . 0 0 "[ . 1 . 2]" 1
1085 1 11 ILE QG 1 70 LEU H 5.000 . 6.000 4.581 3.556 5.949 . 0 0 "[ . 1 . 2]" 1
1086 1 11 ILE MD 1 73 GLU QG 5.000 . 6.000 4.636 2.008 6.001 0.001 15 0 "[ . 1 . 2]" 1
1087 1 12 SER H 1 70 LEU QD 5.000 . 6.000 5.397 4.977 5.681 . 0 0 "[ . 1 . 2]" 1
1088 1 13 ALA MB 1 52 TYR QE 5.000 . 6.000 4.678 4.095 5.090 . 0 0 "[ . 1 . 2]" 1
1089 1 13 ALA H 1 70 LEU QD 5.000 . 6.000 5.829 5.275 6.008 0.008 4 0 "[ . 1 . 2]" 1
1090 1 14 GLY QA 1 48 TYR QE 4.000 . 4.750 3.721 2.500 4.566 . 0 0 "[ . 1 . 2]" 1
1091 1 14 GLY H 1 52 TYR QE 5.000 . 6.000 4.348 3.142 4.783 . 0 0 "[ . 1 . 2]" 1
1092 1 14 GLY QA 1 52 TYR QD 4.000 . 4.750 4.633 4.103 4.785 0.035 5 0 "[ . 1 . 2]" 1
1093 1 14 GLY QA 1 52 TYR QE 3.000 . 3.500 2.823 1.991 3.204 . 0 0 "[ . 1 . 2]" 1
1094 1 14 GLY H 1 70 LEU QD 4.000 . 4.750 4.369 3.658 4.700 . 0 0 "[ . 1 . 2]" 1
1095 1 14 GLY QA 1 70 LEU QD 5.000 . 6.000 3.288 2.454 3.766 . 0 0 "[ . 1 . 2]" 1
1096 1 15 LEU HG 1 73 GLU QB 4.000 . 4.750 2.377 1.947 2.838 . 0 0 "[ . 1 . 2]" 1
1097 1 15 LEU HG 1 73 GLU QG 4.000 . 4.750 3.580 2.666 4.200 . 0 0 "[ . 1 . 2]" 1
1098 1 15 LEU QD 1 73 GLU H 5.000 . 6.000 4.092 3.889 4.252 . 0 0 "[ . 1 . 2]" 1
1099 1 15 LEU QD 1 73 GLU QB 4.000 . 4.750 1.808 1.776 1.966 0.024 10 0 "[ . 1 . 2]" 1
1100 1 15 LEU QD 1 73 GLU QG 4.000 . 4.750 2.007 1.742 3.101 0.058 5 0 "[ . 1 . 2]" 1
1101 1 15 LEU H 1 74 LEU MD2 5.000 . 6.000 5.767 5.231 6.012 0.012 19 0 "[ . 1 . 2]" 1
1102 1 15 LEU HA 1 74 LEU MD1 5.000 . 6.000 5.963 5.666 6.034 0.034 20 0 "[ . 1 . 2]" 1
1103 1 15 LEU HA 1 74 LEU MD2 5.000 . 6.000 4.088 3.682 4.322 . 0 0 "[ . 1 . 2]" 1
1104 1 15 LEU QD 1 74 LEU MD1 5.000 . 6.000 4.901 4.037 5.850 . 0 0 "[ . 1 . 2]" 1
1105 1 15 LEU QD 1 74 LEU MD2 5.000 . 6.000 4.091 3.464 4.717 . 0 0 "[ . 1 . 2]" 1
1106 1 15 LEU H 1 77 LEU MD1 5.000 . 6.000 4.852 4.270 6.011 0.011 17 0 "[ . 1 . 2]" 1
1107 1 15 LEU HB3 1 77 LEU MD1 5.000 . 6.000 3.073 2.492 3.864 . 0 0 "[ . 1 . 2]" 1
1108 1 15 LEU HB2 1 77 LEU MD1 5.000 . 6.000 4.153 3.720 5.194 . 0 0 "[ . 1 . 2]" 1
1109 1 15 LEU HB2 1 77 LEU MD2 5.000 . 6.000 5.588 4.975 5.996 . 0 0 "[ . 1 . 2]" 1
1110 1 15 LEU HG 1 77 LEU HG 3.000 . 3.500 3.511 3.350 3.558 0.058 20 0 "[ . 1 . 2]" 1
1111 1 15 LEU HG 1 77 LEU MD1 5.000 . 6.000 2.409 1.830 4.001 . 0 0 "[ . 1 . 2]" 1
1112 1 15 LEU QD 1 77 LEU H 5.000 . 6.000 4.730 4.188 5.336 . 0 0 "[ . 1 . 2]" 1
1113 1 15 LEU QD 1 77 LEU HG 4.000 . 4.750 2.716 2.120 3.326 . 0 0 "[ . 1 . 2]" 1
1114 1 15 LEU QD 1 77 LEU MD1 5.000 . 6.000 2.388 1.878 3.064 . 0 0 "[ . 1 . 2]" 1
1115 1 17 GLU QB 1 48 TYR QE 4.000 . 4.750 3.875 3.149 4.768 0.018 13 0 "[ . 1 . 2]" 1
1116 1 18 PHE HZ 1 41 VAL MG1 4.000 . 4.750 3.145 2.424 3.908 . 0 0 "[ . 1 . 2]" 1
1117 1 18 PHE QE 1 41 VAL HA 5.000 . 6.000 4.905 4.070 5.561 . 0 0 "[ . 1 . 2]" 1
1118 1 18 PHE QE 1 41 VAL MG1 5.000 . 6.000 3.692 2.668 4.461 . 0 0 "[ . 1 . 2]" 1
1119 1 18 PHE QE 1 41 VAL MG2 5.000 . 6.000 5.184 3.982 5.726 . 0 0 "[ . 1 . 2]" 1
1120 1 18 PHE QE 1 44 TRP HB3 4.000 . 4.750 2.915 2.121 3.779 . 0 0 "[ . 1 . 2]" 1
1121 1 18 PHE HZ 1 45 MET H 5.000 . 6.000 4.060 3.116 5.130 . 0 0 "[ . 1 . 2]" 1
1122 1 18 PHE HZ 1 45 MET HA 5.000 . 6.000 3.809 2.884 5.016 . 0 0 "[ . 1 . 2]" 1
1123 1 18 PHE HZ 1 45 MET ME 5.000 . 6.000 4.312 3.142 5.449 . 0 0 "[ . 1 . 2]" 1
1124 1 18 PHE HZ 1 45 MET QB 4.000 . 4.750 3.183 2.040 4.489 . 0 0 "[ . 1 . 2]" 1
1125 1 18 PHE HZ 1 45 MET QG 5.000 . 6.000 4.004 2.516 5.984 . 0 0 "[ . 1 . 2]" 1
1126 1 18 PHE QE 1 45 MET H 5.000 . 6.000 3.861 3.208 4.511 . 0 0 "[ . 1 . 2]" 1
1127 1 18 PHE QE 1 45 MET HA 5.000 . 6.000 3.112 2.435 4.162 . 0 0 "[ . 1 . 2]" 1
1128 1 18 PHE QE 1 45 MET QG 5.000 . 6.000 4.277 2.960 5.528 . 0 0 "[ . 1 . 2]" 1
1129 1 18 PHE H 1 48 TYR QE 5.000 . 6.000 4.875 4.145 5.489 . 0 0 "[ . 1 . 2]" 1
1130 1 18 PHE H 1 74 LEU MD2 5.000 . 6.000 5.184 4.683 5.787 . 0 0 "[ . 1 . 2]" 1
1131 1 18 PHE HB3 1 74 LEU MD2 5.000 . 6.000 3.624 3.084 4.331 . 0 0 "[ . 1 . 2]" 1
1132 1 18 PHE HB2 1 74 LEU MD2 5.000 . 6.000 3.295 2.616 3.987 . 0 0 "[ . 1 . 2]" 1
1133 1 18 PHE HZ 1 74 LEU MD1 5.000 . 6.000 4.497 2.807 5.481 . 0 0 "[ . 1 . 2]" 1
1134 1 18 PHE QD 1 74 LEU HA 5.000 . 6.000 3.847 2.623 4.804 . 0 0 "[ . 1 . 2]" 1
1135 1 18 PHE QD 1 74 LEU MD1 5.000 . 6.000 4.438 3.348 5.136 . 0 0 "[ . 1 . 2]" 1
1136 1 18 PHE QD 1 74 LEU MD2 5.000 . 6.000 2.754 2.415 3.482 . 0 0 "[ . 1 . 2]" 1
1137 1 18 PHE QE 1 74 LEU HA 4.000 . 4.750 3.600 2.358 4.762 0.012 11 0 "[ . 1 . 2]" 1
1138 1 18 PHE QE 1 74 LEU MD1 5.000 . 6.000 3.977 2.247 4.915 . 0 0 "[ . 1 . 2]" 1
1139 1 18 PHE QE 1 74 LEU MD2 5.000 . 6.000 2.755 2.273 3.606 . 0 0 "[ . 1 . 2]" 1
1140 1 18 PHE H 1 77 LEU MD1 5.000 . 6.000 4.329 3.721 5.007 . 0 0 "[ . 1 . 2]" 1
1141 1 18 PHE HB3 1 77 LEU MD1 5.000 . 6.000 2.393 1.872 3.223 . 0 0 "[ . 1 . 2]" 1
1142 1 18 PHE HB2 1 77 LEU MD1 5.000 . 6.000 3.653 3.082 4.650 . 0 0 "[ . 1 . 2]" 1
1143 1 18 PHE QD 1 77 LEU HB3 5.000 . 6.000 2.570 2.063 3.206 . 0 0 "[ . 1 . 2]" 1
1144 1 18 PHE QD 1 77 LEU HB2 5.000 . 6.000 2.891 2.036 4.167 . 0 0 "[ . 1 . 2]" 1
1145 1 18 PHE QD 1 77 LEU HG 5.000 . 6.000 4.244 3.451 5.522 . 0 0 "[ . 1 . 2]" 1
1146 1 18 PHE QD 1 77 LEU MD1 5.000 . 6.000 2.366 1.815 3.224 . 0 0 "[ . 1 . 2]" 1
1147 1 18 PHE QD 1 77 LEU MD2 5.000 . 6.000 4.195 3.491 4.820 . 0 0 "[ . 1 . 2]" 1
1148 1 18 PHE QE 1 77 LEU HB3 5.000 . 6.000 3.367 2.494 4.377 . 0 0 "[ . 1 . 2]" 1
1149 1 18 PHE QE 1 77 LEU HB2 4.000 . 4.750 3.147 2.033 4.591 . 0 0 "[ . 1 . 2]" 1
1150 1 18 PHE QE 1 77 LEU MD1 5.000 . 6.000 4.038 3.219 4.865 . 0 0 "[ . 1 . 2]" 1
1151 1 18 PHE HZ 1 78 ALA H 5.000 . 6.000 5.101 3.666 6.003 0.003 12 0 "[ . 1 . 2]" 1
1152 1 18 PHE HZ 1 78 ALA MB 5.000 . 6.000 3.111 1.831 3.741 . 0 0 "[ . 1 . 2]" 1
1153 1 18 PHE QD 1 78 ALA MB 5.000 . 6.000 4.594 4.036 5.421 . 0 0 "[ . 1 . 2]" 1
1154 1 18 PHE QE 1 78 ALA H 4.000 . 4.750 3.431 2.175 4.435 . 0 0 "[ . 1 . 2]" 1
1155 1 18 PHE QE 1 78 ALA MB 4.000 . 4.750 2.680 1.936 3.602 . 0 0 "[ . 1 . 2]" 1
1156 1 18 PHE QE 1 81 PHE HB2 5.000 . 6.000 5.590 4.414 6.038 0.038 15 0 "[ . 1 . 2]" 1
1157 1 19 SER H 1 77 LEU MD1 5.000 . 6.000 3.134 2.472 3.643 . 0 0 "[ . 1 . 2]" 1
1158 1 19 SER HA 1 77 LEU MD1 5.000 . 6.000 3.291 2.330 3.950 . 0 0 "[ . 1 . 2]" 1
1159 1 19 SER HA 1 77 LEU MD2 5.000 . 6.000 4.099 3.058 5.619 . 0 0 "[ . 1 . 2]" 1
1160 1 19 SER QB 1 77 LEU MD1 4.000 . 4.750 2.950 2.109 3.919 . 0 0 "[ . 1 . 2]" 1
1161 1 21 LEU MD1 1 44 TRP HB3 5.000 . 6.000 4.860 2.720 5.768 . 0 0 "[ . 1 . 2]" 1
1162 1 21 LEU MD1 1 44 TRP HD1 5.000 . 6.000 5.371 3.938 6.010 0.010 11 0 "[ . 1 . 2]" 1
1163 1 21 LEU MD1 1 44 TRP HE1 5.000 . 6.000 4.414 3.607 5.214 . 0 0 "[ . 1 . 2]" 1
1164 1 21 LEU MD1 1 44 TRP HE3 5.000 . 6.000 3.578 2.674 4.218 . 0 0 "[ . 1 . 2]" 1
1165 1 21 LEU MD1 1 44 TRP HZ2 5.000 . 6.000 3.237 2.425 4.446 . 0 0 "[ . 1 . 2]" 1
1166 1 21 LEU MD1 1 44 TRP HH2 5.000 . 6.000 2.599 2.126 4.598 . 0 0 "[ . 1 . 2]" 1
1167 1 21 LEU MD2 1 44 TRP HB3 5.000 . 6.000 3.161 2.256 4.728 . 0 0 "[ . 1 . 2]" 1
1168 1 21 LEU MD2 1 44 TRP HB2 5.000 . 6.000 3.906 3.288 5.187 . 0 0 "[ . 1 . 2]" 1
1169 1 21 LEU MD2 1 44 TRP HD1 5.000 . 6.000 4.262 3.675 5.002 . 0 0 "[ . 1 . 2]" 1
1170 1 21 LEU MD2 1 44 TRP HE1 5.000 . 6.000 4.037 3.412 5.096 . 0 0 "[ . 1 . 2]" 1
1171 1 21 LEU MD2 1 44 TRP HE3 5.000 . 6.000 2.912 2.350 3.771 . 0 0 "[ . 1 . 2]" 1
1172 1 21 LEU MD2 1 44 TRP HZ2 5.000 . 6.000 3.865 2.654 4.820 . 0 0 "[ . 1 . 2]" 1
1173 1 21 LEU MD2 1 44 TRP HZ3 5.000 . 6.000 3.502 2.418 4.377 . 0 0 "[ . 1 . 2]" 1
1174 1 21 LEU MD2 1 44 TRP HH2 5.000 . 6.000 3.918 2.532 4.938 . 0 0 "[ . 1 . 2]" 1
1175 1 21 LEU MD1 1 48 TYR QE 5.000 . 6.000 4.978 2.097 5.999 . 0 0 "[ . 1 . 2]" 1
1176 1 21 LEU MD2 1 48 TYR QD 5.000 . 6.000 4.545 3.529 6.049 0.049 19 0 "[ . 1 . 2]" 1
1177 1 21 LEU MD2 1 48 TYR QE 4.000 . 4.750 3.044 1.853 4.802 0.052 19 0 "[ . 1 . 2]" 1
1178 1 21 LEU MD1 1 81 PHE QD 5.000 . 6.000 6.017 6.002 6.036 0.036 17 0 "[ . 1 . 2]" 1
1179 1 21 LEU MD2 1 81 PHE QE 5.000 . 6.000 5.438 4.332 5.995 . 0 0 "[ . 1 . 2]" 1
1180 1 22 LEU MD1 1 41 VAL MG1 5.000 . 6.000 3.601 2.219 5.630 . 0 0 "[ . 1 . 2]" 1
1181 1 22 LEU MD1 1 41 VAL MG2 5.000 . 6.000 4.393 2.510 5.960 . 0 0 "[ . 1 . 2]" 1
1182 1 22 LEU MD2 1 41 VAL HA 5.000 . 6.000 4.094 2.771 6.055 0.055 14 0 "[ . 1 . 2]" 1
1183 1 22 LEU MD2 1 41 VAL MG1 5.000 . 6.000 2.995 1.799 4.483 0.001 4 0 "[ . 1 . 2]" 1
1184 1 22 LEU MD2 1 41 VAL MG2 5.000 . 6.000 3.198 2.266 4.224 . 0 0 "[ . 1 . 2]" 1
1185 1 22 LEU HA 1 44 TRP HZ3 5.000 . 6.000 3.403 2.180 4.362 . 0 0 "[ . 1 . 2]" 1
1186 1 22 LEU MD2 1 44 TRP HZ3 5.000 . 6.000 3.281 2.265 4.470 . 0 0 "[ . 1 . 2]" 1
1187 1 22 LEU MD2 1 44 TRP HH2 5.000 . 6.000 5.197 4.169 6.014 0.014 19 0 "[ . 1 . 2]" 1
1188 1 22 LEU MD1 1 77 LEU H 5.000 . 6.000 4.962 4.389 5.887 . 0 0 "[ . 1 . 2]" 1
1189 1 22 LEU MD1 1 77 LEU HA 5.000 . 6.000 4.061 3.491 5.542 . 0 0 "[ . 1 . 2]" 1
1190 1 22 LEU MD1 1 77 LEU HB2 5.000 . 6.000 3.478 2.773 4.199 . 0 0 "[ . 1 . 2]" 1
1191 1 22 LEU MD1 1 77 LEU HG 5.000 . 6.000 4.972 4.004 5.991 . 0 0 "[ . 1 . 2]" 1
1192 1 22 LEU MD1 1 77 LEU MD1 5.000 . 6.000 3.416 2.503 4.212 . 0 0 "[ . 1 . 2]" 1
1193 1 22 LEU MD1 1 77 LEU MD2 5.000 . 6.000 3.967 2.859 5.322 . 0 0 "[ . 1 . 2]" 1
1194 1 22 LEU MD1 1 78 ALA H 5.000 . 6.000 3.778 3.063 4.674 . 0 0 "[ . 1 . 2]" 1
1195 1 22 LEU MD1 1 78 ALA HA 5.000 . 6.000 2.555 1.816 4.055 . 0 0 "[ . 1 . 2]" 1
1196 1 22 LEU MD1 1 78 ALA MB 5.000 . 6.000 3.149 2.541 4.784 . 0 0 "[ . 1 . 2]" 1
1197 1 22 LEU MD2 1 78 ALA HA 5.000 . 6.000 3.467 2.681 4.328 . 0 0 "[ . 1 . 2]" 1
1198 1 22 LEU MD2 1 78 ALA MB 5.000 . 6.000 3.710 2.991 5.167 . 0 0 "[ . 1 . 2]" 1
1199 1 22 LEU HG 1 81 PHE QE 5.000 . 6.000 4.620 2.454 5.385 . 0 0 "[ . 1 . 2]" 1
1200 1 22 LEU MD1 1 81 PHE H 5.000 . 6.000 4.106 3.127 5.772 . 0 0 "[ . 1 . 2]" 1
1201 1 22 LEU MD1 1 81 PHE HB3 5.000 . 6.000 3.183 2.208 4.378 . 0 0 "[ . 1 . 2]" 1
1202 1 22 LEU MD1 1 81 PHE QD 5.000 . 6.000 2.826 1.915 4.057 . 0 0 "[ . 1 . 2]" 1
1203 1 22 LEU MD1 1 81 PHE QE 5.000 . 6.000 4.332 3.226 5.392 . 0 0 "[ . 1 . 2]" 1
1204 1 22 LEU MD2 1 81 PHE H 5.000 . 6.000 5.074 3.759 5.970 . 0 0 "[ . 1 . 2]" 1
1205 1 22 LEU MD2 1 81 PHE HA 5.000 . 6.000 4.958 2.478 5.877 . 0 0 "[ . 1 . 2]" 1
1206 1 22 LEU MD2 1 81 PHE HB3 5.000 . 6.000 3.491 2.684 4.238 . 0 0 "[ . 1 . 2]" 1
1207 1 22 LEU MD2 1 81 PHE QD 5.000 . 6.000 2.025 1.798 2.555 0.002 17 0 "[ . 1 . 2]" 1
1208 1 22 LEU MD2 1 81 PHE QE 5.000 . 6.000 2.430 1.901 3.150 . 0 0 "[ . 1 . 2]" 1
1209 1 25 GLN QB 1 81 PHE QE 5.000 . 6.000 3.532 2.749 6.004 0.004 10 0 "[ . 1 . 2]" 1
1210 1 25 GLN QG 1 81 PHE QE 5.000 . 6.000 2.644 1.871 5.092 . 0 0 "[ . 1 . 2]" 1
1211 1 27 PHE QD 1 37 MET ME 5.000 . 6.000 5.708 4.380 6.045 0.045 20 0 "[ . 1 . 2]" 1
1212 1 27 PHE QE 1 37 MET ME 5.000 . 6.000 4.821 3.132 5.771 . 0 0 "[ . 1 . 2]" 1
1213 1 27 PHE HZ 1 81 PHE QD 4.000 . 4.750 2.777 1.906 3.764 . 0 0 "[ . 1 . 2]" 1
1214 1 27 PHE HZ 1 81 PHE QE 4.000 . 4.750 2.341 1.945 3.425 . 0 0 "[ . 1 . 2]" 1
1215 1 27 PHE QE 1 81 PHE QD 5.000 . 6.000 3.301 2.256 4.329 . 0 0 "[ . 1 . 2]" 1
1216 1 27 PHE QE 1 81 PHE QE 4.000 . 4.750 2.593 1.904 3.771 . 0 0 "[ . 1 . 2]" 1
1217 1 27 PHE HZ 1 84 LYS QG 5.000 . 6.000 4.691 2.879 6.012 0.012 10 0 "[ . 1 . 2]" 1
1218 1 27 PHE QD 1 84 LYS QB 5.000 . 6.000 4.754 3.482 5.857 . 0 0 "[ . 1 . 2]" 1
1219 1 27 PHE QE 1 84 LYS QB 4.000 . 4.750 3.967 2.390 4.777 0.027 10 0 "[ . 1 . 2]" 1
1220 1 27 PHE QE 1 84 LYS QG 5.000 . 6.000 3.771 2.510 5.018 . 0 0 "[ . 1 . 2]" 1
1221 1 27 PHE HB3 1 85 TYR QE 5.000 . 6.000 5.615 3.848 6.026 0.026 20 0 "[ . 1 . 2]" 1
1222 1 27 PHE HZ 1 85 TYR H 5.000 . 6.000 5.441 3.735 6.058 0.058 10 0 "[ . 1 . 2]" 1
1223 1 27 PHE HZ 1 85 TYR HA 5.000 . 6.000 5.491 4.003 6.063 0.063 6 0 "[ . 1 . 2]" 1
1224 1 27 PHE HZ 1 85 TYR HB2 4.000 . 4.750 4.485 3.115 4.779 0.029 11 0 "[ . 1 . 2]" 1
1225 1 27 PHE HZ 1 85 TYR QD 5.000 . 6.000 4.084 2.425 5.528 . 0 0 "[ . 1 . 2]" 1
1226 1 27 PHE QD 1 85 TYR HA 5.000 . 6.000 3.676 2.951 4.444 . 0 0 "[ . 1 . 2]" 1
1227 1 27 PHE QD 1 85 TYR QD 5.000 . 6.000 3.028 1.878 4.330 . 0 0 "[ . 1 . 2]" 1
1228 1 27 PHE QD 1 85 TYR QE 4.000 . 4.750 3.725 2.147 4.612 . 0 0 "[ . 1 . 2]" 1
1229 1 27 PHE QE 1 85 TYR H 5.000 . 6.000 4.100 3.063 4.879 . 0 0 "[ . 1 . 2]" 1
1230 1 27 PHE QE 1 85 TYR HA 5.000 . 6.000 3.254 1.903 3.800 . 0 0 "[ . 1 . 2]" 1
1231 1 27 PHE QE 1 85 TYR HB2 5.000 . 6.000 3.105 2.309 4.230 . 0 0 "[ . 1 . 2]" 1
1232 1 27 PHE QE 1 85 TYR QD 5.000 . 6.000 2.274 1.864 3.666 . 0 0 "[ . 1 . 2]" 1
1233 1 27 PHE QE 1 85 TYR QE 5.000 . 6.000 3.769 3.145 4.788 . 0 0 "[ . 1 . 2]" 1
1234 1 27 PHE HB3 1 88 PHE QD 4.000 . 4.750 3.271 3.063 3.629 . 0 0 "[ . 1 . 2]" 1
1235 1 27 PHE HB3 1 88 PHE QE 5.000 . 6.000 3.183 1.790 4.795 0.010 10 0 "[ . 1 . 2]" 1
1236 1 27 PHE HB2 1 88 PHE QD 4.000 . 4.750 4.801 4.764 4.858 0.108 14 0 "[ . 1 . 2]" 1
1237 1 27 PHE HB2 1 88 PHE QE 5.000 . 6.000 4.324 3.510 5.673 . 0 0 "[ . 1 . 2]" 1
1238 1 27 PHE QD 1 88 PHE HB3 5.000 . 6.000 4.029 3.148 4.964 . 0 0 "[ . 1 . 2]" 1
1239 1 27 PHE QD 1 88 PHE HB2 4.000 . 4.750 3.831 2.662 4.613 . 0 0 "[ . 1 . 2]" 1
1240 1 27 PHE QE 1 88 PHE HB3 5.000 . 6.000 4.858 3.188 6.006 0.006 6 0 "[ . 1 . 2]" 1
1241 1 27 PHE QE 1 88 PHE HB2 5.000 . 6.000 5.010 3.411 6.015 0.015 3 0 "[ . 1 . 2]" 1
1242 1 27 PHE QD 1 89 LEU QD 5.000 . 6.000 5.738 4.570 6.080 0.080 13 0 "[ . 1 . 2]" 1
1243 1 29 ASP HA 1 88 PHE QD 5.000 . 6.000 5.774 5.018 6.074 0.074 12 0 "[ . 1 . 2]" 1
1244 1 29 ASP HA 1 88 PHE QE 5.000 . 6.000 3.786 2.888 4.670 . 0 0 "[ . 1 . 2]" 1
1245 1 30 ALA MB 1 85 TYR QE 5.000 . 6.000 4.527 2.472 6.214 0.214 6 0 "[ . 1 . 2]" 1
1246 1 30 ALA HA 1 88 PHE QD 5.000 . 6.000 4.338 3.098 5.578 . 0 0 "[ . 1 . 2]" 1
1247 1 30 ALA HA 1 88 PHE QE 4.000 . 4.750 3.116 1.859 4.431 . 0 0 "[ . 1 . 2]" 1
1248 1 30 ALA MB 1 88 PHE QD 5.000 . 6.000 2.883 1.838 5.565 . 0 0 "[ . 1 . 2]" 1
1249 1 30 ALA MB 1 88 PHE QE 5.000 . 6.000 2.528 1.843 3.958 . 0 0 "[ . 1 . 2]" 1
1250 1 30 ALA HA 1 89 LEU QD 5.000 . 6.000 4.109 2.145 5.946 . 0 0 "[ . 1 . 2]" 1
1251 1 30 ALA MB 1 89 LEU QD 5.000 . 6.000 2.770 1.771 6.039 0.039 6 0 "[ . 1 . 2]" 1
1252 1 31 LEU QD 1 88 PHE QD 5.000 . 6.000 5.930 4.734 6.114 0.114 20 0 "[ . 1 . 2]" 1
1253 1 31 LEU QD 1 88 PHE QE 5.000 . 6.000 4.855 4.358 6.042 0.042 9 0 "[ . 1 . 2]" 1
1254 1 32 VAL MG1 1 37 MET ME 5.000 . 6.000 3.817 2.150 5.963 . 0 0 "[ . 1 . 2]" 1
1255 1 32 VAL MG2 1 37 MET ME 5.000 . 6.000 4.522 2.162 6.043 0.043 19 0 "[ . 1 . 2]" 1
1256 1 32 VAL MG1 1 85 TYR QE 5.000 . 6.000 3.402 2.105 5.123 . 0 0 "[ . 1 . 2]" 1
1257 1 32 VAL MG2 1 85 TYR QE 5.000 . 6.000 5.011 3.581 6.030 0.030 17 0 "[ . 1 . 2]" 1
1258 1 33 SER HA 1 85 TYR QE 5.000 . 6.000 5.579 3.758 6.040 0.040 11 0 "[ . 1 . 2]" 1
1259 1 34 GLU HA 1 85 TYR QD 5.000 . 6.000 3.483 2.220 4.321 . 0 0 "[ . 1 . 2]" 1
1260 1 34 GLU HA 1 85 TYR QE 4.000 . 4.750 2.748 1.884 4.341 . 0 0 "[ . 1 . 2]" 1
1261 1 34 GLU QB 1 85 TYR QD 5.000 . 6.000 4.174 3.167 5.359 . 0 0 "[ . 1 . 2]" 1
1262 1 34 GLU QB 1 85 TYR QE 5.000 . 6.000 4.177 3.057 5.625 . 0 0 "[ . 1 . 2]" 1
1263 1 34 GLU QG 1 85 TYR QE 5.000 . 6.000 4.870 2.956 6.020 0.020 4 0 "[ . 1 . 2]" 1
1264 1 34 GLU H 1 89 LEU QD 5.000 . 6.000 2.939 1.874 3.966 . 0 0 "[ . 1 . 2]" 1
1265 1 34 GLU QB 1 89 LEU HG 4.000 . 4.750 3.293 1.931 4.418 . 0 0 "[ . 1 . 2]" 1
1266 1 34 GLU QB 1 89 LEU QB 4.000 . 4.750 3.338 2.505 4.335 . 0 0 "[ . 1 . 2]" 1
1267 1 34 GLU QG 1 89 LEU HG 4.000 . 4.750 4.399 3.101 4.767 0.017 10 0 "[ . 1 . 2]" 1
1268 1 34 GLU QG 1 89 LEU QB 5.000 . 6.000 3.982 3.185 5.414 . 0 0 "[ . 1 . 2]" 1
1269 1 37 MET ME 1 81 PHE QD 5.000 . 6.000 5.455 2.132 6.047 0.047 8 0 "[ . 1 . 2]" 1
1270 1 37 MET ME 1 81 PHE QE 5.000 . 6.000 3.843 2.274 4.260 . 0 0 "[ . 1 . 2]" 1
1271 1 37 MET QG 1 81 PHE QD 4.000 . 4.750 4.645 4.339 4.802 0.052 4 0 "[ . 1 . 2]" 1
1272 1 37 MET QG 1 81 PHE QE 5.000 . 6.000 3.069 2.559 3.625 . 0 0 "[ . 1 . 2]" 1
1273 1 37 MET H 1 85 TYR QE 5.000 . 6.000 3.824 3.195 4.772 . 0 0 "[ . 1 . 2]" 1
1274 1 37 MET HA 1 85 TYR QE 5.000 . 6.000 4.810 4.442 5.300 . 0 0 "[ . 1 . 2]" 1
1275 1 37 MET ME 1 85 TYR QD 5.000 . 6.000 4.262 1.994 5.810 . 0 0 "[ . 1 . 2]" 1
1276 1 37 MET ME 1 85 TYR QE 5.000 . 6.000 3.454 2.283 5.284 . 0 0 "[ . 1 . 2]" 1
1277 1 38 VAL HA 1 82 LEU MD1 4.000 . 4.750 3.778 2.901 4.756 0.006 15 0 "[ . 1 . 2]" 1
1278 1 38 VAL H 1 85 TYR QE 5.000 . 6.000 4.498 3.136 6.034 0.034 19 0 "[ . 1 . 2]" 1
1279 1 38 VAL MG2 1 85 TYR QE 5.000 . 6.000 4.422 2.933 6.009 0.009 8 0 "[ . 1 . 2]" 1
1280 1 41 VAL MG1 1 78 ALA MB 5.000 . 6.000 2.332 1.888 2.687 . 0 0 "[ . 1 . 2]" 1
1281 1 41 VAL MG1 1 81 PHE QD 5.000 . 6.000 2.821 2.041 3.609 . 0 0 "[ . 1 . 2]" 1
1282 1 41 VAL MG1 1 81 PHE QE 5.000 . 6.000 3.420 2.601 4.251 . 0 0 "[ . 1 . 2]" 1
1283 1 41 VAL MG2 1 81 PHE H 5.000 . 6.000 6.007 5.686 6.083 0.083 10 0 "[ . 1 . 2]" 1
1284 1 41 VAL MG2 1 81 PHE HB2 5.000 . 6.000 4.872 4.410 5.155 . 0 0 "[ . 1 . 2]" 1
1285 1 41 VAL MG2 1 81 PHE QD 4.000 . 4.750 2.635 1.970 3.076 . 0 0 "[ . 1 . 2]" 1
1286 1 41 VAL MG2 1 81 PHE QE 4.000 . 4.750 2.025 1.791 2.735 0.009 10 0 "[ . 1 . 2]" 1
1287 1 41 VAL MG1 1 82 LEU H 5.000 . 6.000 4.599 4.109 5.588 . 0 0 "[ . 1 . 2]" 1
1288 1 44 TRP HZ3 1 81 PHE HZ 4.000 . 4.750 4.083 3.435 4.756 0.006 16 0 "[ . 1 . 2]" 1
1289 1 44 TRP HZ3 1 81 PHE QE 5.000 . 6.000 3.030 2.154 3.551 . 0 0 "[ . 1 . 2]" 1
1290 1 45 MET ME 1 71 ARG HA 5.000 . 6.000 5.446 4.092 6.003 0.003 7 0 "[ . 1 . 2]" 1
1291 1 45 MET H 1 74 LEU MD1 5.000 . 6.000 5.179 3.864 5.981 . 0 0 "[ . 1 . 2]" 1
1292 1 45 MET HA 1 74 LEU MD1 4.000 . 4.750 2.907 1.912 3.714 . 0 0 "[ . 1 . 2]" 1
1293 1 45 MET ME 1 74 LEU MD1 5.000 . 6.000 4.130 3.536 4.765 . 0 0 "[ . 1 . 2]" 1
1294 1 45 MET QB 1 74 LEU MD1 4.000 . 4.750 3.311 1.959 4.375 . 0 0 "[ . 1 . 2]" 1
1295 1 45 MET QB 1 74 LEU MD2 5.000 . 6.000 3.713 2.159 5.217 . 0 0 "[ . 1 . 2]" 1
1296 1 45 MET QG 1 74 LEU MD1 5.000 . 6.000 2.908 1.838 4.833 . 0 0 "[ . 1 . 2]" 1
1297 1 45 MET ME 1 75 ASN H 5.000 . 6.000 4.715 4.212 5.275 . 0 0 "[ . 1 . 2]" 1
1298 1 45 MET ME 1 75 ASN HA 5.000 . 6.000 3.494 2.772 4.015 . 0 0 "[ . 1 . 2]" 1
1299 1 45 MET ME 1 75 ASN QB 5.000 . 6.000 4.570 3.537 5.202 . 0 0 "[ . 1 . 2]" 1
1300 1 45 MET ME 1 75 ASN QD 5.000 . 6.000 3.973 2.661 6.002 0.002 20 0 "[ . 1 . 2]" 1
1301 1 45 MET ME 1 78 ALA H 5.000 . 6.000 5.119 4.008 6.012 0.012 18 0 "[ . 1 . 2]" 1
1302 1 45 MET ME 1 78 ALA MB 5.000 . 6.000 3.001 2.054 3.957 . 0 0 "[ . 1 . 2]" 1
1303 1 48 TYR QD 1 70 LEU QD 5.000 . 6.000 3.814 2.165 4.472 . 0 0 "[ . 1 . 2]" 1
1304 1 48 TYR QB 1 74 LEU MD1 5.000 . 6.000 2.629 2.129 3.159 . 0 0 "[ . 1 . 2]" 1
1305 1 48 TYR QD 1 74 LEU MD1 5.000 . 6.000 3.841 2.934 4.706 . 0 0 "[ . 1 . 2]" 1
1306 1 48 TYR QD 1 74 LEU MD2 5.000 . 6.000 3.387 2.919 4.308 . 0 0 "[ . 1 . 2]" 1
1307 1 49 ILE HA 1 70 LEU QD 5.000 . 6.000 3.292 2.020 4.096 . 0 0 "[ . 1 . 2]" 1
1308 1 49 ILE QG 1 70 LEU QD 4.000 . 4.750 3.435 1.983 4.302 . 0 0 "[ . 1 . 2]" 1
1309 1 49 ILE MG 1 71 ARG QD 5.000 . 6.000 4.059 2.513 5.798 . 0 0 "[ . 1 . 2]" 1
1310 1 49 ILE MD 1 71 ARG HA 4.000 . 4.750 2.515 1.950 3.279 . 0 0 "[ . 1 . 2]" 1
1311 1 49 ILE H 1 74 LEU MD1 5.000 . 6.000 3.643 3.383 3.838 . 0 0 "[ . 1 . 2]" 1
1312 1 49 ILE HA 1 74 LEU MD1 5.000 . 6.000 3.963 3.500 5.053 . 0 0 "[ . 1 . 2]" 1
1313 1 49 ILE MD 1 74 LEU MD1 5.000 . 6.000 2.027 1.784 3.248 0.016 13 0 "[ . 1 . 2]" 1
1314 1 49 ILE MD 1 74 LEU MD2 5.000 . 6.000 3.894 3.191 4.390 . 0 0 "[ . 1 . 2]" 1
1315 1 49 ILE QG 1 74 LEU MD1 5.000 . 6.000 2.995 2.212 3.945 . 0 0 "[ . 1 . 2]" 1
1316 1 52 TYR QB 1 67 LEU MD2 4.000 . 4.750 3.358 2.908 4.767 0.017 6 0 "[ . 1 . 2]" 1
1317 1 52 TYR QB 1 70 LEU QD 5.000 . 6.000 2.762 1.866 3.562 . 0 0 "[ . 1 . 2]" 1
1318 1 52 TYR QD 1 70 LEU QD 5.000 . 6.000 2.239 1.789 3.140 0.011 6 0 "[ . 1 . 2]" 1
1319 1 52 TYR QE 1 70 LEU HG 4.000 . 4.750 4.218 3.403 4.756 0.006 19 0 "[ . 1 . 2]" 1
1320 1 52 TYR QE 1 70 LEU QD 5.000 . 6.000 2.650 1.921 3.311 . 0 0 "[ . 1 . 2]" 1
1321 1 53 ARG H 1 67 LEU HG 5.000 . 6.000 5.220 4.379 5.730 . 0 0 "[ . 1 . 2]" 1
1322 1 53 ARG H 1 67 LEU MD1 5.000 . 6.000 3.858 2.742 5.288 . 0 0 "[ . 1 . 2]" 1
1323 1 53 ARG H 1 67 LEU MD2 4.000 . 4.750 3.620 2.503 4.476 . 0 0 "[ . 1 . 2]" 1
1324 1 53 ARG HA 1 67 LEU HG 3.000 . 3.500 3.289 2.235 3.526 0.026 19 0 "[ . 1 . 2]" 1
1325 1 53 ARG HE 1 67 LEU MD1 5.000 . 6.000 4.448 1.852 5.682 . 0 0 "[ . 1 . 2]" 1
1326 1 53 ARG QD 1 67 LEU MD1 5.000 . 6.000 3.202 2.150 4.768 . 0 0 "[ . 1 . 2]" 1
1327 1 56 VAL MG1 1 63 ARG HA 4.000 . 4.750 1.987 1.722 2.943 0.078 11 0 "[ . 1 . 2]" 1
1328 1 56 VAL MG1 1 63 ARG QD 4.000 . 4.750 3.202 1.838 4.545 . 0 0 "[ . 1 . 2]" 1
1329 1 56 VAL MG2 1 63 ARG HA 4.000 . 4.750 3.101 2.507 4.240 . 0 0 "[ . 1 . 2]" 1
1330 1 56 VAL MG2 1 63 ARG HE 5.000 . 6.000 4.932 2.157 6.057 0.057 5 0 "[ . 1 . 2]" 1
1331 1 56 VAL MG2 1 63 ARG QB 4.000 . 4.750 3.732 2.698 4.406 . 0 0 "[ . 1 . 2]" 1
1332 1 56 VAL MG2 1 63 ARG QD 4.000 . 4.750 3.670 1.818 4.779 0.029 5 0 "[ . 1 . 2]" 1
1333 1 56 VAL MG1 1 64 ASP H 5.000 . 6.000 4.773 4.312 5.865 . 0 0 "[ . 1 . 2]" 1
1334 1 56 VAL MG2 1 64 ASP H 5.000 . 6.000 5.805 5.441 6.138 0.138 5 0 "[ . 1 . 2]" 1
1335 1 56 VAL MG1 1 66 ALA MB 4.000 . 4.750 2.876 2.152 3.803 . 0 0 "[ . 1 . 2]" 1
1336 1 56 VAL MG2 1 66 ALA MB 5.000 . 6.000 3.166 2.200 4.405 . 0 0 "[ . 1 . 2]" 1
1337 1 57 THR HA 1 63 ARG HE 5.000 . 6.000 4.762 2.140 6.087 0.087 16 0 "[ . 1 . 2]" 1
1338 1 58 GLY H 1 63 ARG HE 5.000 . 6.000 4.660 3.175 6.008 0.008 15 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 108
_Distance_constraint_stats_list.Viol_count 662
_Distance_constraint_stats_list.Viol_total 299.701
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0150
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0226
_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 5 LYS 0.614 0.066 8 0 "[ . 1 . 2]"
1 6 ALA 1.100 0.105 19 0 "[ . 1 . 2]"
1 7 ASN 0.242 0.070 20 0 "[ . 1 . 2]"
1 8 LYS 0.025 0.010 19 0 "[ . 1 . 2]"
1 9 ASP 0.709 0.066 8 0 "[ . 1 . 2]"
1 10 LEU 1.300 0.105 19 0 "[ . 1 . 2]"
1 11 ILE 0.307 0.070 20 0 "[ . 1 . 2]"
1 12 SER 0.390 0.075 8 0 "[ . 1 . 2]"
1 13 ALA 0.408 0.043 8 0 "[ . 1 . 2]"
1 14 GLY 0.601 0.055 8 0 "[ . 1 . 2]"
1 15 LEU 0.254 0.031 3 0 "[ . 1 . 2]"
1 16 LYS 0.702 0.075 8 0 "[ . 1 . 2]"
1 17 GLU 0.511 0.043 8 0 "[ . 1 . 2]"
1 18 PHE 0.562 0.055 8 0 "[ . 1 . 2]"
1 19 SER 0.364 0.063 18 0 "[ . 1 . 2]"
1 20 VAL 0.338 0.048 7 0 "[ . 1 . 2]"
1 21 LEU 0.198 0.042 13 0 "[ . 1 . 2]"
1 22 LEU 0.160 0.034 10 0 "[ . 1 . 2]"
1 23 ASN 0.175 0.063 18 0 "[ . 1 . 2]"
1 34 GLU 0.162 0.043 17 0 "[ . 1 . 2]"
1 35 GLU 0.141 0.028 1 0 "[ . 1 . 2]"
1 36 ASP 0.338 0.052 3 0 "[ . 1 . 2]"
1 37 MET 0.103 0.052 10 0 "[ . 1 . 2]"
1 38 VAL 0.541 0.048 18 0 "[ . 1 . 2]"
1 39 THR 0.199 0.028 1 0 "[ . 1 . 2]"
1 40 VAL 0.406 0.052 3 0 "[ . 1 . 2]"
1 41 VAL 0.126 0.052 10 0 "[ . 1 . 2]"
1 42 GLU 0.571 0.048 18 0 "[ . 1 . 2]"
1 43 ASP 0.082 0.022 5 0 "[ . 1 . 2]"
1 44 TRP 0.116 0.031 19 0 "[ . 1 . 2]"
1 45 MET 0.078 0.027 19 0 "[ . 1 . 2]"
1 46 ASN 0.305 0.046 6 0 "[ . 1 . 2]"
1 47 PHE 0.355 0.059 19 0 "[ . 1 . 2]"
1 48 TYR 0.576 0.051 9 0 "[ . 1 . 2]"
1 49 ILE 0.168 0.029 16 0 "[ . 1 . 2]"
1 50 ASN 0.113 0.041 20 0 "[ . 1 . 2]"
1 51 TYR 0.330 0.059 19 0 "[ . 1 . 2]"
1 52 TYR 0.528 0.051 9 0 "[ . 1 . 2]"
1 53 ARG 0.112 0.029 16 0 "[ . 1 . 2]"
1 60 PRO 0.069 0.035 19 0 "[ . 1 . 2]"
1 61 GLN 0.303 0.063 7 0 "[ . 1 . 2]"
1 62 GLU 0.313 0.060 5 0 "[ . 1 . 2]"
1 63 ARG 0.216 0.032 10 0 "[ . 1 . 2]"
1 64 ASP 0.357 0.040 11 0 "[ . 1 . 2]"
1 65 LYS 0.407 0.063 7 0 "[ . 1 . 2]"
1 66 ALA 0.761 0.060 5 0 "[ . 1 . 2]"
1 67 LEU 0.383 0.032 10 0 "[ . 1 . 2]"
1 68 GLN 0.451 0.055 7 0 "[ . 1 . 2]"
1 69 GLU 0.132 0.035 7 0 "[ . 1 . 2]"
1 70 LEU 0.574 0.048 5 0 "[ . 1 . 2]"
1 71 ARG 0.296 0.031 16 0 "[ . 1 . 2]"
1 72 GLN 0.476 0.055 7 0 "[ . 1 . 2]"
1 73 GLU 0.190 0.033 2 0 "[ . 1 . 2]"
1 74 LEU 2.415 0.104 14 0 "[ . 1 . 2]"
1 75 ASN 0.129 0.029 4 0 "[ . 1 . 2]"
1 76 THR 0.313 0.040 18 0 "[ . 1 . 2]"
1 77 LEU 0.163 0.033 2 0 "[ . 1 . 2]"
1 78 ALA 2.290 0.104 14 0 "[ . 1 . 2]"
1 80 PRO 0.298 0.065 19 0 "[ . 1 . 2]"
1 81 PHE 0.396 0.068 6 0 "[ . 1 . 2]"
1 82 LEU 0.300 0.053 1 0 "[ . 1 . 2]"
1 83 ALA 0.172 0.041 17 0 "[ . 1 . 2]"
1 84 LYS 0.688 0.082 8 0 "[ . 1 . 2]"
1 85 TYR 0.545 0.068 6 0 "[ . 1 . 2]"
1 86 ARG 0.509 0.053 1 0 "[ . 1 . 2]"
1 87 ASP 0.971 0.098 18 0 "[ . 1 . 2]"
1 88 PHE 0.390 0.082 8 0 "[ . 1 . 2]"
1 89 LEU 0.149 0.028 10 0 "[ . 1 . 2]"
1 90 LYS 0.209 0.050 13 0 "[ . 1 . 2]"
1 91 SER 0.798 0.098 18 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 5 LYS O 1 9 ASP H 1.950 . 2.100 1.825 1.734 2.037 0.066 8 0 "[ . 1 . 2]" 2
2 1 5 LYS O 1 9 ASP N 2.900 2.700 3.100 2.710 2.639 2.912 0.061 12 0 "[ . 1 . 2]" 2
3 1 6 ALA O 1 10 LEU H 1.950 . 2.100 2.152 2.110 2.205 0.105 19 0 "[ . 1 . 2]" 2
4 1 6 ALA O 1 10 LEU N 2.900 2.700 3.100 3.070 2.956 3.138 0.038 19 0 "[ . 1 . 2]" 2
5 1 7 ASN O 1 11 ILE H 1.950 . 2.100 2.012 1.797 2.170 0.070 20 0 "[ . 1 . 2]" 2
6 1 7 ASN O 1 11 ILE N 2.900 2.700 3.100 2.955 2.693 3.113 0.013 20 0 "[ . 1 . 2]" 2
7 1 8 LYS O 1 12 SER H 1.950 . 2.100 1.924 1.794 2.110 0.010 19 0 "[ . 1 . 2]" 2
8 1 8 LYS O 1 12 SER N 2.900 2.700 3.100 2.883 2.742 3.059 . 0 0 "[ . 1 . 2]" 2
9 1 9 ASP O 1 13 ALA H 1.950 . 2.100 1.920 1.798 2.119 0.019 19 0 "[ . 1 . 2]" 2
10 1 9 ASP O 1 13 ALA N 2.900 2.700 3.100 2.801 2.683 3.048 0.017 20 0 "[ . 1 . 2]" 2
11 1 10 LEU O 1 14 GLY H 1.950 . 2.100 1.996 1.753 2.153 0.053 8 0 "[ . 1 . 2]" 2
12 1 10 LEU O 1 14 GLY N 2.900 2.700 3.100 2.894 2.689 2.998 0.011 19 0 "[ . 1 . 2]" 2
13 1 11 ILE O 1 15 LEU H 1.950 . 2.100 1.955 1.788 2.115 0.015 6 0 "[ . 1 . 2]" 2
14 1 11 ILE O 1 15 LEU N 2.900 2.700 3.100 2.822 2.687 2.978 0.013 5 0 "[ . 1 . 2]" 2
15 1 12 SER O 1 16 LYS H 1.950 . 2.100 1.830 1.725 1.984 0.075 8 0 "[ . 1 . 2]" 2
16 1 12 SER O 1 16 LYS N 2.900 2.700 3.100 2.753 2.680 2.902 0.020 8 0 "[ . 1 . 2]" 2
17 1 13 ALA O 1 17 GLU H 1.950 . 2.100 2.070 1.825 2.143 0.043 8 0 "[ . 1 . 2]" 2
18 1 13 ALA O 1 17 GLU N 2.900 2.700 3.100 3.034 2.784 3.113 0.013 19 0 "[ . 1 . 2]" 2
19 1 14 GLY O 1 18 PHE H 1.950 . 2.100 2.117 2.046 2.155 0.055 8 0 "[ . 1 . 2]" 2
20 1 14 GLY O 1 18 PHE N 2.900 2.700 3.100 2.994 2.942 3.047 . 0 0 "[ . 1 . 2]" 2
21 1 15 LEU O 1 19 SER H 1.950 . 2.100 2.032 1.847 2.126 0.026 9 0 "[ . 1 . 2]" 2
22 1 15 LEU O 1 19 SER N 2.900 2.700 3.100 2.942 2.669 3.068 0.031 3 0 "[ . 1 . 2]" 2
23 1 16 LYS O 1 20 VAL H 1.950 . 2.100 2.096 1.944 2.148 0.048 7 0 "[ . 1 . 2]" 2
24 1 16 LYS O 1 20 VAL N 2.900 2.700 3.100 3.031 2.908 3.075 . 0 0 "[ . 1 . 2]" 2
25 1 17 GLU O 1 21 LEU H 1.950 . 2.100 2.075 1.873 2.142 0.042 13 0 "[ . 1 . 2]" 2
26 1 17 GLU O 1 21 LEU N 2.900 2.700 3.100 2.946 2.783 3.046 . 0 0 "[ . 1 . 2]" 2
27 1 18 PHE O 1 22 LEU H 1.950 . 2.100 1.948 1.781 2.134 0.034 10 0 "[ . 1 . 2]" 2
28 1 18 PHE O 1 22 LEU N 2.900 2.700 3.100 2.883 2.683 3.073 0.017 18 0 "[ . 1 . 2]" 2
29 1 19 SER O 1 23 ASN H 1.950 . 2.100 2.002 1.790 2.163 0.063 18 0 "[ . 1 . 2]" 2
30 1 19 SER O 1 23 ASN N 2.900 2.700 3.100 2.904 2.694 3.063 0.006 3 0 "[ . 1 . 2]" 2
31 1 34 GLU O 1 38 VAL H 1.950 . 2.100 1.942 1.760 2.143 0.043 17 0 "[ . 1 . 2]" 2
32 1 34 GLU O 1 38 VAL N 2.900 2.700 3.100 2.895 2.718 3.096 . 0 0 "[ . 1 . 2]" 2
33 1 35 GLU O 1 39 THR H 1.950 . 2.100 1.848 1.772 2.068 0.028 1 0 "[ . 1 . 2]" 2
34 1 35 GLU O 1 39 THR N 2.900 2.700 3.100 2.776 2.687 2.998 0.013 1 0 "[ . 1 . 2]" 2
35 1 36 ASP O 1 40 VAL H 1.950 . 2.100 2.087 1.954 2.152 0.052 3 0 "[ . 1 . 2]" 2
36 1 36 ASP O 1 40 VAL N 2.900 2.700 3.100 2.981 2.876 3.076 . 0 0 "[ . 1 . 2]" 2
37 1 37 MET O 1 41 VAL H 1.950 . 2.100 2.005 1.810 2.152 0.052 10 0 "[ . 1 . 2]" 2
38 1 37 MET O 1 41 VAL N 2.900 2.700 3.100 2.935 2.768 3.075 . 0 0 "[ . 1 . 2]" 2
39 1 38 VAL O 1 42 GLU H 1.950 . 2.100 2.114 2.058 2.148 0.048 18 0 "[ . 1 . 2]" 2
40 1 38 VAL O 1 42 GLU N 2.900 2.700 3.100 3.071 2.969 3.128 0.028 18 0 "[ . 1 . 2]" 2
41 1 39 THR O 1 43 ASP H 1.950 . 2.100 1.870 1.778 2.060 0.022 5 0 "[ . 1 . 2]" 2
42 1 39 THR O 1 43 ASP N 2.900 2.700 3.100 2.778 2.700 2.917 . 0 0 "[ . 1 . 2]" 2
43 1 40 VAL O 1 44 TRP H 1.950 . 2.100 1.986 1.796 2.131 0.031 19 0 "[ . 1 . 2]" 2
44 1 40 VAL O 1 44 TRP N 2.900 2.700 3.100 2.922 2.764 3.080 . 0 0 "[ . 1 . 2]" 2
45 1 41 VAL O 1 45 MET H 1.950 . 2.100 2.001 1.913 2.123 0.023 9 0 "[ . 1 . 2]" 2
46 1 41 VAL O 1 45 MET N 2.900 2.700 3.100 2.969 2.870 3.095 . 0 0 "[ . 1 . 2]" 2
47 1 42 GLU O 1 46 ASN H 1.950 . 2.100 2.070 1.879 2.146 0.046 6 0 "[ . 1 . 2]" 2
48 1 42 GLU O 1 46 ASN N 2.900 2.700 3.100 3.018 2.834 3.124 0.024 6 0 "[ . 1 . 2]" 2
49 1 43 ASP O 1 47 PHE H 1.950 . 2.100 1.975 1.782 2.104 0.018 14 0 "[ . 1 . 2]" 2
50 1 43 ASP O 1 47 PHE N 2.900 2.700 3.100 2.893 2.722 3.028 . 0 0 "[ . 1 . 2]" 2
51 1 44 TRP O 1 48 TYR H 1.950 . 2.100 1.908 1.776 2.105 0.024 19 0 "[ . 1 . 2]" 2
52 1 44 TRP O 1 48 TYR N 2.900 2.700 3.100 2.783 2.683 2.974 0.017 2 0 "[ . 1 . 2]" 2
53 1 45 MET O 1 49 ILE H 1.950 . 2.100 1.977 1.773 2.108 0.027 19 0 "[ . 1 . 2]" 2
54 1 45 MET O 1 49 ILE N 2.900 2.700 3.100 2.941 2.727 3.078 . 0 0 "[ . 1 . 2]" 2
55 1 46 ASN O 1 50 ASN H 1.950 . 2.100 2.045 1.893 2.141 0.041 20 0 "[ . 1 . 2]" 2
56 1 46 ASN O 1 50 ASN N 2.900 2.700 3.100 3.008 2.833 3.096 . 0 0 "[ . 1 . 2]" 2
57 1 47 PHE O 1 51 TYR H 1.950 . 2.100 2.116 2.089 2.159 0.059 19 0 "[ . 1 . 2]" 2
58 1 47 PHE O 1 51 TYR N 2.900 2.700 3.100 2.990 2.888 3.045 . 0 0 "[ . 1 . 2]" 2
59 1 48 TYR O 1 52 TYR H 1.950 . 2.100 1.808 1.749 2.004 0.051 9 0 "[ . 1 . 2]" 2
60 1 48 TYR O 1 52 TYR N 2.900 2.700 3.100 2.726 2.655 2.933 0.045 8 0 "[ . 1 . 2]" 2
61 1 49 ILE O 1 53 ARG H 1.950 . 2.100 1.979 1.790 2.129 0.029 16 0 "[ . 1 . 2]" 2
62 1 49 ILE O 1 53 ARG N 2.900 2.700 3.100 2.865 2.697 3.026 0.003 6 0 "[ . 1 . 2]" 2
63 1 60 PRO O 1 64 ASP H 1.950 . 2.100 1.867 1.765 2.003 0.035 19 0 "[ . 1 . 2]" 2
64 1 60 PRO O 1 64 ASP N 2.900 2.700 3.100 2.797 2.724 2.943 . 0 0 "[ . 1 . 2]" 2
65 1 61 GLN O 1 65 LYS H 1.950 . 2.100 1.913 1.763 2.163 0.063 7 0 "[ . 1 . 2]" 2
66 1 61 GLN O 1 65 LYS N 2.900 2.700 3.100 2.793 2.664 2.971 0.036 13 0 "[ . 1 . 2]" 2
67 1 62 GLU O 1 66 ALA H 1.950 . 2.100 2.064 1.801 2.160 0.060 5 0 "[ . 1 . 2]" 2
68 1 62 GLU O 1 66 ALA N 2.900 2.700 3.100 2.954 2.681 3.096 0.019 14 0 "[ . 1 . 2]" 2
69 1 63 ARG O 1 67 LEU H 1.950 . 2.100 1.886 1.769 2.129 0.031 14 0 "[ . 1 . 2]" 2
70 1 63 ARG O 1 67 LEU N 2.900 2.700 3.100 2.794 2.668 3.084 0.032 10 0 "[ . 1 . 2]" 2
71 1 64 ASP O 1 68 GLN H 1.950 . 2.100 1.994 1.788 2.140 0.040 11 0 "[ . 1 . 2]" 2
72 1 64 ASP O 1 68 GLN N 2.900 2.700 3.100 2.864 2.678 3.045 0.022 16 0 "[ . 1 . 2]" 2
73 1 65 LYS O 1 69 GLU H 1.950 . 2.100 2.026 1.785 2.135 0.035 7 0 "[ . 1 . 2]" 2
74 1 65 LYS O 1 69 GLU N 2.900 2.700 3.100 2.942 2.693 3.084 0.007 19 0 "[ . 1 . 2]" 2
75 1 66 ALA O 1 70 LEU H 1.950 . 2.100 2.042 1.786 2.148 0.048 5 0 "[ . 1 . 2]" 2
76 1 66 ALA O 1 70 LEU N 2.900 2.700 3.100 2.895 2.674 3.027 0.026 4 0 "[ . 1 . 2]" 2
77 1 67 LEU O 1 71 ARG H 1.950 . 2.100 2.025 1.820 2.131 0.031 16 0 "[ . 1 . 2]" 2
78 1 67 LEU O 1 71 ARG N 2.900 2.700 3.100 2.988 2.801 3.082 . 0 0 "[ . 1 . 2]" 2
79 1 68 GLN O 1 72 GLN H 1.950 . 2.100 2.075 1.959 2.155 0.055 7 0 "[ . 1 . 2]" 2
80 1 68 GLN O 1 72 GLN N 2.900 2.700 3.100 2.999 2.867 3.107 0.007 16 0 "[ . 1 . 2]" 2
81 1 69 GLU O 1 73 GLU H 1.950 . 2.100 1.941 1.794 2.118 0.018 17 0 "[ . 1 . 2]" 2
82 1 69 GLU O 1 73 GLU N 2.900 2.700 3.100 2.878 2.722 3.017 . 0 0 "[ . 1 . 2]" 2
83 1 70 LEU O 1 74 LEU H 1.950 . 2.100 1.948 1.757 2.133 0.043 14 0 "[ . 1 . 2]" 2
84 1 70 LEU O 1 74 LEU N 2.900 2.700 3.100 2.860 2.706 2.974 . 0 0 "[ . 1 . 2]" 2
85 1 71 ARG O 1 75 ASN H 1.950 . 2.100 2.023 1.804 2.129 0.029 4 0 "[ . 1 . 2]" 2
86 1 71 ARG O 1 75 ASN N 2.900 2.700 3.100 2.958 2.774 3.058 . 0 0 "[ . 1 . 2]" 2
87 1 72 GLN O 1 76 THR H 1.950 . 2.100 2.077 1.798 2.140 0.040 18 0 "[ . 1 . 2]" 2
88 1 72 GLN O 1 76 THR N 2.900 2.700 3.100 2.943 2.770 3.079 . 0 0 "[ . 1 . 2]" 2
89 1 73 GLU O 1 77 LEU H 1.950 . 2.100 1.968 1.782 2.123 0.023 20 0 "[ . 1 . 2]" 2
90 1 73 GLU O 1 77 LEU N 2.900 2.700 3.100 2.790 2.667 3.050 0.033 2 0 "[ . 1 . 2]" 2
91 1 74 LEU O 1 78 ALA H 1.950 . 2.100 1.731 1.696 1.770 0.104 14 0 "[ . 1 . 2]" 2
92 1 74 LEU O 1 78 ALA N 2.900 2.700 3.100 2.655 2.601 2.691 0.099 1 0 "[ . 1 . 2]" 2
93 1 80 PRO O 1 84 LYS H 1.950 . 2.100 2.075 1.818 2.165 0.065 19 0 "[ . 1 . 2]" 2
94 1 80 PRO O 1 84 LYS N 2.900 2.700 3.100 2.909 2.680 3.056 0.020 10 0 "[ . 1 . 2]" 2
95 1 81 PHE O 1 85 TYR H 1.950 . 2.100 2.073 1.798 2.168 0.068 6 0 "[ . 1 . 2]" 2
96 1 81 PHE O 1 85 TYR N 2.900 2.700 3.100 2.978 2.740 3.129 0.029 6 0 "[ . 1 . 2]" 2
97 1 82 LEU O 1 86 ARG H 1.950 . 2.100 2.086 1.877 2.153 0.053 1 0 "[ . 1 . 2]" 2
98 1 82 LEU O 1 86 ARG N 2.900 2.700 3.100 3.001 2.831 3.086 . 0 0 "[ . 1 . 2]" 2
99 1 83 ALA O 1 87 ASP H 1.950 . 2.100 2.052 1.807 2.141 0.041 17 0 "[ . 1 . 2]" 2
100 1 83 ALA O 1 87 ASP N 2.900 2.700 3.100 2.977 2.732 3.088 . 0 0 "[ . 1 . 2]" 2
101 1 84 LYS O 1 88 PHE H 1.950 . 2.100 2.096 1.951 2.182 0.082 8 0 "[ . 1 . 2]" 2
102 1 84 LYS O 1 88 PHE N 2.900 2.700 3.100 2.935 2.766 3.061 . 0 0 "[ . 1 . 2]" 2
103 1 85 TYR O 1 89 LEU H 1.950 . 2.100 1.867 1.772 2.105 0.028 10 0 "[ . 1 . 2]" 2
104 1 85 TYR O 1 89 LEU N 2.900 2.700 3.100 2.795 2.684 3.062 0.016 12 0 "[ . 1 . 2]" 2
105 1 86 ARG O 1 90 LYS H 1.950 . 2.100 1.989 1.786 2.150 0.050 13 0 "[ . 1 . 2]" 2
106 1 86 ARG O 1 90 LYS N 2.900 2.700 3.100 2.863 2.675 3.065 0.025 18 0 "[ . 1 . 2]" 2
107 1 87 ASP O 1 91 SER H 1.950 . 2.100 2.064 1.798 2.198 0.098 18 0 "[ . 1 . 2]" 2
108 1 87 ASP O 1 91 SER N 2.900 2.700 3.100 2.739 2.627 2.997 0.073 11 0 "[ . 1 . 2]" 2
stop_
save_
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