NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
381770 |
1j6y   |
4670 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1j6y
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 782
_Distance_constraint_stats_list.Viol_count 1859
_Distance_constraint_stats_list.Viol_total 2266.187
_Distance_constraint_stats_list.Viol_max 0.601
_Distance_constraint_stats_list.Viol_rms 0.0309
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0072
_Distance_constraint_stats_list.Viol_average_violations_only 0.0610
_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 24 ARG 0.329 0.170 1 0 "[ . 1 . 2]"
1 25 ASP 2.104 0.234 1 0 "[ . 1 . 2]"
1 26 GLN 1.500 0.140 18 0 "[ . 1 . 2]"
1 27 VAL 1.275 0.105 4 0 "[ . 1 . 2]"
1 28 LYS 7.132 0.191 17 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.348 0.050 20 0 "[ . 1 . 2]"
1 31 HIS 0.555 0.189 2 0 "[ . 1 . 2]"
1 32 ILE 1.637 0.359 9 0 "[ . 1 . 2]"
1 33 LEU 13.504 0.601 19 20 [****************-*+*]
1 34 ILE 0.111 0.054 12 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.897 0.087 4 0 "[ . 1 . 2]"
1 37 GLN 0.712 0.075 1 0 "[ . 1 . 2]"
1 38 GLY 0.744 0.075 1 0 "[ . 1 . 2]"
1 45 TRP 0.026 0.012 10 0 "[ . 1 . 2]"
1 46 LYS 0.026 0.012 10 0 "[ . 1 . 2]"
1 55 THR 0.188 0.080 11 0 "[ . 1 . 2]"
1 56 THR 0.247 0.080 11 0 "[ . 1 . 2]"
1 57 THR 0.896 0.125 4 0 "[ . 1 . 2]"
1 58 ARG 1.773 0.125 4 0 "[ . 1 . 2]"
1 59 GLU 3.043 0.148 7 0 "[ . 1 . 2]"
1 60 ALA 2.218 0.091 7 0 "[ . 1 . 2]"
1 61 ALA 3.029 0.082 3 0 "[ . 1 . 2]"
1 62 VAL 2.929 0.082 7 0 "[ . 1 . 2]"
1 63 GLU 2.637 0.084 15 0 "[ . 1 . 2]"
1 64 GLN 2.496 0.084 15 0 "[ . 1 . 2]"
1 65 LEU 1.643 0.082 7 0 "[ . 1 . 2]"
1 66 LYS 1.897 0.075 8 0 "[ . 1 . 2]"
1 67 SER 3.384 0.087 19 0 "[ . 1 . 2]"
1 68 ILE 2.927 0.090 5 0 "[ . 1 . 2]"
1 69 ARG 1.570 0.090 5 0 "[ . 1 . 2]"
1 70 GLU 6.446 0.232 4 0 "[ . 1 . 2]"
1 71 ASP 6.431 0.232 4 0 "[ . 1 . 2]"
1 72 ILE 0.018 0.009 10 0 "[ . 1 . 2]"
1 73 VAL 1.728 0.090 3 0 "[ . 1 . 2]"
1 74 SER 3.984 0.100 10 0 "[ . 1 . 2]"
1 75 GLY 4.970 0.220 11 0 "[ . 1 . 2]"
1 76 LYS 4.218 0.229 18 0 "[ . 1 . 2]"
1 77 ALA 3.407 0.229 18 0 "[ . 1 . 2]"
1 78 ASN 1.151 0.229 15 0 "[ . 1 . 2]"
1 79 PHE 1.174 0.149 18 0 "[ . 1 . 2]"
1 80 GLU 1.949 0.076 15 0 "[ . 1 . 2]"
1 81 GLU 2.027 0.137 2 0 "[ . 1 . 2]"
1 82 VAL 1.372 0.085 3 0 "[ . 1 . 2]"
1 83 ALA 1.945 0.076 15 0 "[ . 1 . 2]"
1 84 THR 2.136 0.137 2 0 "[ . 1 . 2]"
1 85 ARG 1.356 0.072 11 0 "[ . 1 . 2]"
1 86 VAL 3.464 0.359 9 0 "[ . 1 . 2]"
1 87 SER 1.758 0.144 7 0 "[ . 1 . 2]"
1 88 ASP 13.246 0.601 19 20 [****************-*+*]
1 89 CYS 1.571 0.144 7 0 "[ . 1 . 2]"
1 90 SER 6.078 0.124 2 0 "[ . 1 . 2]"
1 91 SER 6.666 0.145 12 0 "[ . 1 . 2]"
1 92 ALA 1.821 0.103 19 0 "[ . 1 . 2]"
1 93 LYS 1.350 0.094 18 0 "[ . 1 . 2]"
1 94 ARG 2.493 0.145 12 0 "[ . 1 . 2]"
1 95 GLY 2.650 0.214 6 0 "[ . 1 . 2]"
1 96 GLY 3.538 0.214 6 0 "[ . 1 . 2]"
1 97 ASP 1.440 0.092 19 0 "[ . 1 . 2]"
1 98 LEU 2.602 0.205 17 0 "[ . 1 . 2]"
1 99 GLY 4.642 0.220 5 0 "[ . 1 . 2]"
1 100 SER 7.808 0.220 5 0 "[ . 1 . 2]"
1 101 PHE 1.870 0.125 5 0 "[ . 1 . 2]"
1 102 GLY 1.742 0.097 19 0 "[ . 1 . 2]"
1 103 ARG 0.683 0.076 14 0 "[ . 1 . 2]"
1 104 GLY 0.281 0.071 13 0 "[ . 1 . 2]"
1 105 GLN 4.653 0.243 17 0 "[ . 1 . 2]"
1 106 MET 5.380 0.243 17 0 "[ . 1 . 2]"
1 107 GLN 0.341 0.080 13 0 "[ . 1 . 2]"
1 108 LYS 0.308 0.080 13 0 "[ . 1 . 2]"
1 109 PRO 0.483 0.067 11 0 "[ . 1 . 2]"
1 110 PHE 4.240 0.159 8 0 "[ . 1 . 2]"
1 111 GLU 5.380 0.131 14 0 "[ . 1 . 2]"
1 112 GLU 2.383 0.089 7 0 "[ . 1 . 2]"
1 113 ALA 2.115 0.083 17 0 "[ . 1 . 2]"
1 114 THR 3.798 0.102 17 0 "[ . 1 . 2]"
1 115 TYR 2.204 0.073 7 0 "[ . 1 . 2]"
1 116 ALA 1.442 0.078 7 0 "[ . 1 . 2]"
1 117 LEU 1.383 0.099 20 0 "[ . 1 . 2]"
1 118 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 119 VAL 0.701 0.203 12 0 "[ . 1 . 2]"
1 120 GLY 0.653 0.107 12 0 "[ . 1 . 2]"
1 121 ASP 1.526 0.107 12 0 "[ . 1 . 2]"
1 122 ILE 0.878 0.090 3 0 "[ . 1 . 2]"
1 123 SER 0.664 0.074 16 0 "[ . 1 . 2]"
1 124 ASP 0.631 0.082 10 0 "[ . 1 . 2]"
1 125 ILE 0.538 0.082 10 0 "[ . 1 . 2]"
1 126 VAL 0.126 0.056 2 0 "[ . 1 . 2]"
1 127 ASP 0.493 0.071 16 0 "[ . 1 . 2]"
1 128 THR 1.276 0.164 5 0 "[ . 1 . 2]"
1 129 ASP 0.084 0.034 12 0 "[ . 1 . 2]"
1 130 SER 2.060 0.125 17 0 "[ . 1 . 2]"
1 131 GLY 2.717 0.164 5 0 "[ . 1 . 2]"
1 132 VAL 0.624 0.071 16 0 "[ . 1 . 2]"
1 133 HIS 0.139 0.067 14 0 "[ . 1 . 2]"
1 134 ILE 0.387 0.067 10 0 "[ . 1 . 2]"
1 135 ILE 0.761 0.189 2 0 "[ . 1 . 2]"
1 136 LYS 0.084 0.045 10 0 "[ . 1 . 2]"
1 137 ARG 0.084 0.045 10 0 "[ . 1 . 2]"
1 138 THR 0.123 0.071 12 0 "[ . 1 . 2]"
1 139 ALA 0.440 0.203 12 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 24 ARG HA 1 25 ASP H 3.000 . 3.500 2.828 2.360 3.302 . 0 0 "[ . 1 . 2]" 1
2 1 24 ARG HB2 1 25 ASP H 3.000 . 3.500 2.566 1.856 3.526 0.026 12 0 "[ . 1 . 2]" 1
3 1 24 ARG HB3 1 25 ASP H 3.000 . 3.500 2.807 1.858 3.670 0.170 1 0 "[ . 1 . 2]" 1
4 1 25 ASP H 1 25 ASP HA 3.000 . 3.500 2.944 2.788 2.998 . 0 0 "[ . 1 . 2]" 1
5 1 25 ASP H 1 25 ASP HB2 3.000 . 3.500 2.746 1.939 3.734 0.234 1 0 "[ . 1 . 2]" 1
6 1 25 ASP H 1 25 ASP HB3 3.000 . 3.500 3.234 2.222 3.637 0.137 1 0 "[ . 1 . 2]" 1
7 1 25 ASP H 1 26 GLN H 3.000 . 3.500 2.704 1.871 3.563 0.063 7 0 "[ . 1 . 2]" 1
8 1 25 ASP HA 1 26 GLN H 3.000 . 3.500 3.529 3.386 3.578 0.078 20 0 "[ . 1 . 2]" 1
9 1 25 ASP HB2 1 26 GLN H 3.000 . 3.500 2.933 2.046 3.640 0.140 18 0 "[ . 1 . 2]" 1
10 1 25 ASP HB3 1 26 GLN H 3.000 . 3.500 2.433 1.834 3.614 0.114 18 0 "[ . 1 . 2]" 1
11 1 26 GLN H 1 26 GLN HA 3.000 . 3.500 2.456 2.356 2.950 . 0 0 "[ . 1 . 2]" 1
12 1 26 GLN H 1 26 GLN HB2 4.000 . 5.000 2.836 1.981 3.101 . 0 0 "[ . 1 . 2]" 1
13 1 26 GLN H 1 26 GLN HB3 4.000 . 5.000 3.597 2.173 4.044 . 0 0 "[ . 1 . 2]" 1
14 1 26 GLN H 1 26 GLN HG3 4.000 . 5.000 4.156 3.864 4.604 . 0 0 "[ . 1 . 2]" 1
15 1 26 GLN HA 1 115 TYR QE 4.500 . 5.500 4.661 4.387 4.929 . 0 0 "[ . 1 . 2]" 1
16 1 26 GLN HG2 1 100 SER HA 4.500 . 5.500 3.890 3.152 5.359 . 0 0 "[ . 1 . 2]" 1
17 1 26 GLN HG2 1 100 SER QB 4.500 . 5.500 3.085 2.293 3.707 . 0 0 "[ . 1 . 2]" 1
18 1 26 GLN HG2 1 101 PHE HA 4.500 . 5.500 3.616 2.377 4.834 . 0 0 "[ . 1 . 2]" 1
19 1 26 GLN HG2 1 102 GLY HA2 4.500 . 5.500 5.222 3.533 5.558 0.058 20 0 "[ . 1 . 2]" 1
20 1 26 GLN HG2 1 102 GLY HA3 4.000 . 5.000 4.514 4.040 4.983 . 0 0 "[ . 1 . 2]" 1
21 1 26 GLN HG3 1 100 SER QB 4.500 . 5.500 4.239 2.683 4.661 . 0 0 "[ . 1 . 2]" 1
22 1 26 GLN HG3 1 102 GLY HA2 4.500 . 5.500 4.816 3.276 5.550 0.050 3 0 "[ . 1 . 2]" 1
23 1 26 GLN HG3 1 102 GLY HA3 4.000 . 5.000 3.734 2.680 4.597 . 0 0 "[ . 1 . 2]" 1
24 1 27 VAL H 1 101 PHE H 4.000 . 5.000 2.659 2.246 3.373 . 0 0 "[ . 1 . 2]" 1
25 1 27 VAL H 1 102 GLY HA3 3.000 . 3.500 3.460 3.042 3.597 0.097 19 0 "[ . 1 . 2]" 1
26 1 27 VAL HA 1 115 TYR QE 4.500 . 5.500 4.633 4.044 4.874 . 0 0 "[ . 1 . 2]" 1
27 1 27 VAL HB 1 115 TYR QD 4.500 . 5.500 3.667 3.476 3.813 . 0 0 "[ . 1 . 2]" 1
28 1 27 VAL HB 1 115 TYR QE 4.000 . 5.000 2.998 2.795 3.130 . 0 0 "[ . 1 . 2]" 1
29 1 27 VAL MG1 1 110 PHE HE1 4.500 . 5.500 4.222 3.842 4.432 . 0 0 "[ . 1 . 2]" 1
30 1 27 VAL MG1 1 115 TYR HA 5.000 2.300 6.000 4.917 4.614 4.994 . 0 0 "[ . 1 . 2]" 1
31 1 27 VAL MG1 1 115 TYR QD 4.000 . 5.000 3.121 2.892 3.383 . 0 0 "[ . 1 . 2]" 1
32 1 27 VAL MG1 1 115 TYR QE 4.000 . 5.000 1.858 1.760 2.145 0.040 10 0 "[ . 1 . 2]" 1
33 1 27 VAL MG2 1 101 PHE H 4.500 . 5.500 4.238 4.036 4.444 . 0 0 "[ . 1 . 2]" 1
34 1 27 VAL MG2 1 101 PHE HD1 5.000 2.300 6.000 4.814 4.436 4.920 . 0 0 "[ . 1 . 2]" 1
35 1 27 VAL MG2 1 101 PHE HD2 5.000 2.300 6.000 4.345 3.795 4.843 . 0 0 "[ . 1 . 2]" 1
36 1 27 VAL MG2 1 101 PHE HE1 5.000 2.300 6.000 3.793 3.147 4.065 . 0 0 "[ . 1 . 2]" 1
37 1 27 VAL MG2 1 101 PHE HE2 5.000 2.300 6.000 3.119 2.195 3.885 0.105 4 0 "[ . 1 . 2]" 1
38 1 27 VAL MG2 1 101 PHE HZ 4.500 . 5.500 2.816 2.196 3.541 . 0 0 "[ . 1 . 2]" 1
39 1 27 VAL MG2 1 110 PHE HD1 4.500 . 5.500 4.459 4.302 4.540 . 0 0 "[ . 1 . 2]" 1
40 1 27 VAL MG2 1 110 PHE HE1 4.000 . 5.000 3.298 3.033 3.537 . 0 0 "[ . 1 . 2]" 1
41 1 27 VAL MG2 1 114 THR HB 4.000 . 5.000 1.911 1.715 2.188 0.085 8 0 "[ . 1 . 2]" 1
42 1 27 VAL MG2 1 115 TYR HA 4.500 . 5.500 3.321 3.002 3.635 . 0 0 "[ . 1 . 2]" 1
43 1 27 VAL MG2 1 115 TYR QD 5.000 2.300 6.000 3.218 2.944 3.511 . 0 0 "[ . 1 . 2]" 1
44 1 27 VAL MG2 1 115 TYR QE 5.000 2.300 6.000 3.407 3.110 3.653 . 0 0 "[ . 1 . 2]" 1
45 1 28 LYS H 1 28 LYS HA 3.000 . 3.500 2.931 2.883 2.969 . 0 0 "[ . 1 . 2]" 1
46 1 28 LYS H 1 28 LYS HB2 3.000 . 3.500 2.292 2.237 2.336 . 0 0 "[ . 1 . 2]" 1
47 1 28 LYS HA 1 28 LYS HG2 3.000 . 3.500 2.228 2.181 2.258 . 0 0 "[ . 1 . 2]" 1
48 1 28 LYS HA 1 28 LYS HG3 3.000 . 3.500 3.420 3.335 3.493 . 0 0 "[ . 1 . 2]" 1
49 1 28 LYS HA 1 29 ALA H 3.000 . 3.500 2.472 2.391 2.555 . 0 0 "[ . 1 . 2]" 1
50 1 28 LYS HA 1 100 SER HA 2.000 . 2.500 1.747 1.710 1.776 0.090 5 0 "[ . 1 . 2]" 1
51 1 28 LYS HA 1 100 SER QB 3.000 . 3.500 3.357 3.332 3.377 . 0 0 "[ . 1 . 2]" 1
52 1 28 LYS HA 1 101 PHE H 3.000 . 3.500 3.186 3.022 3.327 . 0 0 "[ . 1 . 2]" 1
53 1 28 LYS HB2 1 29 ALA H 4.000 . 5.000 3.833 3.753 3.945 . 0 0 "[ . 1 . 2]" 1
54 1 28 LYS HB2 1 100 SER QB 4.500 . 5.500 4.375 4.298 4.438 . 0 0 "[ . 1 . 2]" 1
55 1 28 LYS HB3 1 29 ALA H 4.000 . 5.000 2.648 2.495 2.804 . 0 0 "[ . 1 . 2]" 1
56 1 28 LYS HB3 1 99 GLY HA2 4.500 . 5.500 3.916 3.806 4.030 . 0 0 "[ . 1 . 2]" 1
57 1 28 LYS HB3 1 99 GLY HA3 4.500 . 5.500 5.096 4.989 5.177 . 0 0 "[ . 1 . 2]" 1
58 1 28 LYS HB3 1 100 SER HA 3.000 . 3.500 3.636 3.541 3.691 0.191 17 0 "[ . 1 . 2]" 1
59 1 28 LYS HB3 1 100 SER QB 4.500 . 5.500 3.925 3.847 3.997 . 0 0 "[ . 1 . 2]" 1
60 1 28 LYS QD 1 99 GLY HA2 4.500 . 5.500 3.260 3.130 3.570 . 0 0 "[ . 1 . 2]" 1
61 1 28 LYS QD 1 99 GLY HA3 4.000 . 5.000 3.881 3.590 4.111 . 0 0 "[ . 1 . 2]" 1
62 1 28 LYS QD 1 100 SER HA 4.000 . 5.000 3.357 3.046 3.630 . 0 0 "[ . 1 . 2]" 1
63 1 28 LYS QD 1 100 SER QB 4.000 . 5.000 2.207 1.757 2.811 0.043 18 0 "[ . 1 . 2]" 1
64 1 28 LYS QE 1 99 GLY HA2 4.000 . 5.000 3.668 2.851 4.403 . 0 0 "[ . 1 . 2]" 1
65 1 28 LYS QE 1 99 GLY HA3 4.000 . 5.000 4.394 4.195 4.587 . 0 0 "[ . 1 . 2]" 1
66 1 28 LYS QE 1 100 SER HA 4.000 . 5.000 4.001 3.456 4.483 . 0 0 "[ . 1 . 2]" 1
67 1 28 LYS QE 1 100 SER QB 4.000 . 5.000 2.755 1.654 3.757 0.146 9 0 "[ . 1 . 2]" 1
68 1 28 LYS HG2 1 99 GLY HA2 4.000 . 5.000 4.782 4.684 4.895 . 0 0 "[ . 1 . 2]" 1
69 1 28 LYS HG2 1 99 GLY HA3 4.000 . 5.000 5.079 5.010 5.173 0.173 18 0 "[ . 1 . 2]" 1
70 1 28 LYS HG2 1 100 SER HA 3.000 . 3.500 1.837 1.796 1.874 0.004 18 0 "[ . 1 . 2]" 1
71 1 28 LYS HG2 1 100 SER QB 3.000 . 3.500 1.851 1.799 1.922 0.001 18 0 "[ . 1 . 2]" 1
72 1 28 LYS HG3 1 100 SER HA 3.000 . 3.500 3.517 3.473 3.554 0.054 15 0 "[ . 1 . 2]" 1
73 1 28 LYS HG3 1 100 SER QB 3.000 . 3.500 2.877 2.806 2.954 . 0 0 "[ . 1 . 2]" 1
74 1 29 ALA H 1 29 ALA HA 3.000 . 3.500 2.851 2.832 2.895 . 0 0 "[ . 1 . 2]" 1
75 1 29 ALA H 1 29 ALA MB 3.000 . 3.500 2.861 2.828 2.890 . 0 0 "[ . 1 . 2]" 1
76 1 29 ALA HA 1 30 SER H 3.000 . 3.500 2.404 2.271 2.517 . 0 0 "[ . 1 . 2]" 1
77 1 29 ALA HA 1 137 ARG HA 3.000 . 3.500 2.770 2.213 3.230 . 0 0 "[ . 1 . 2]" 1
78 1 29 ALA MB 1 30 SER H 3.000 . 3.500 2.524 2.256 2.860 . 0 0 "[ . 1 . 2]" 1
79 1 29 ALA MB 1 98 LEU MD1 4.500 . 5.500 3.080 1.994 3.495 . 0 0 "[ . 1 . 2]" 1
80 1 29 ALA MB 1 98 LEU MD2 4.500 . 5.500 3.258 2.399 3.568 . 0 0 "[ . 1 . 2]" 1
81 1 29 ALA MB 1 101 PHE HE1 4.500 . 5.500 2.303 1.855 2.654 . 0 0 "[ . 1 . 2]" 1
82 1 29 ALA MB 1 101 PHE HE2 4.500 . 5.500 4.283 3.994 4.548 . 0 0 "[ . 1 . 2]" 1
83 1 29 ALA MB 1 101 PHE HZ 4.000 . 5.000 2.191 1.841 2.565 . 0 0 "[ . 1 . 2]" 1
84 1 29 ALA MB 1 110 PHE HE1 4.500 . 5.500 3.079 2.822 3.389 . 0 0 "[ . 1 . 2]" 1
85 1 29 ALA MB 1 110 PHE HE2 4.500 . 5.500 4.478 4.404 4.552 . 0 0 "[ . 1 . 2]" 1
86 1 29 ALA MB 1 110 PHE HZ 4.500 . 5.500 2.475 2.285 2.684 . 0 0 "[ . 1 . 2]" 1
87 1 29 ALA MB 1 114 THR HA 4.500 . 5.500 4.060 3.523 4.416 . 0 0 "[ . 1 . 2]" 1
88 1 29 ALA MB 1 114 THR HB 4.500 . 5.500 3.680 3.392 4.020 . 0 0 "[ . 1 . 2]" 1
89 1 29 ALA MB 1 137 ARG HA 4.000 . 5.000 3.929 3.345 4.142 . 0 0 "[ . 1 . 2]" 1
90 1 30 SER H 1 30 SER HA 3.000 . 3.500 2.994 2.983 3.001 . 0 0 "[ . 1 . 2]" 1
91 1 30 SER H 1 30 SER HB3 3.000 . 3.500 2.743 2.450 3.462 . 0 0 "[ . 1 . 2]" 1
92 1 30 SER HA 1 31 HIS H 3.000 . 3.500 2.691 2.583 2.778 . 0 0 "[ . 1 . 2]" 1
93 1 30 SER HA 1 79 PHE QE 4.500 . 5.500 5.035 4.400 5.431 . 0 0 "[ . 1 . 2]" 1
94 1 30 SER HA 1 97 ASP HA 3.000 . 3.500 1.791 1.750 1.840 0.050 20 0 "[ . 1 . 2]" 1
95 1 30 SER HA 1 97 ASP HB3 3.000 . 3.500 2.794 2.463 3.188 . 0 0 "[ . 1 . 2]" 1
96 1 30 SER HA 1 98 LEU H 3.000 . 3.500 2.106 1.870 2.880 . 0 0 "[ . 1 . 2]" 1
97 1 30 SER HA 1 98 LEU MD1 4.500 . 5.500 2.371 1.841 4.064 . 0 0 "[ . 1 . 2]" 1
98 1 30 SER HA 1 98 LEU MD2 4.500 . 5.500 4.496 4.054 4.645 . 0 0 "[ . 1 . 2]" 1
99 1 30 SER HA 1 98 LEU HG 4.500 . 5.500 4.698 3.398 5.405 . 0 0 "[ . 1 . 2]" 1
100 1 30 SER HB2 1 79 PHE QD 4.500 . 5.500 4.906 4.021 5.401 . 0 0 "[ . 1 . 2]" 1
101 1 30 SER HB2 1 79 PHE QE 4.500 . 5.500 3.585 2.832 4.582 . 0 0 "[ . 1 . 2]" 1
102 1 30 SER HB2 1 97 ASP HA 3.000 . 3.500 2.616 1.846 3.503 0.003 12 0 "[ . 1 . 2]" 1
103 1 30 SER HB2 1 97 ASP HB2 3.000 . 3.500 2.698 1.973 3.549 0.049 12 0 "[ . 1 . 2]" 1
104 1 30 SER HB2 1 97 ASP HB3 3.000 . 3.500 2.012 1.835 3.505 0.005 12 0 "[ . 1 . 2]" 1
105 1 30 SER HB3 1 79 PHE QE 4.500 . 5.500 4.628 3.700 5.198 . 0 0 "[ . 1 . 2]" 1
106 1 31 HIS HA 1 32 ILE H 3.000 . 3.500 2.407 2.277 2.562 . 0 0 "[ . 1 . 2]" 1
107 1 31 HIS HA 1 79 PHE QE 4.500 . 5.500 3.962 3.463 4.583 . 0 0 "[ . 1 . 2]" 1
108 1 31 HIS HA 1 135 ILE HA 2.000 . 2.500 2.167 1.933 2.360 . 0 0 "[ . 1 . 2]" 1
109 1 31 HIS HA 1 135 ILE HB 4.000 . 5.000 4.976 4.828 5.083 0.083 5 0 "[ . 1 . 2]" 1
110 1 31 HIS HA 1 135 ILE MD 4.500 . 5.500 4.474 2.438 4.679 . 0 0 "[ . 1 . 2]" 1
111 1 31 HIS HA 1 135 ILE HG12 4.000 . 5.000 4.360 3.579 5.036 0.036 3 0 "[ . 1 . 2]" 1
112 1 31 HIS HA 1 135 ILE HG13 4.000 . 5.000 3.268 2.961 5.189 0.189 2 0 "[ . 1 . 2]" 1
113 1 31 HIS HA 1 135 ILE MG 4.500 . 5.500 4.090 3.457 4.545 . 0 0 "[ . 1 . 2]" 1
114 1 31 HIS HB2 1 110 PHE HE2 4.000 . 5.000 2.752 1.982 3.350 . 0 0 "[ . 1 . 2]" 1
115 1 31 HIS HB2 1 110 PHE HZ 4.500 . 5.500 4.402 3.454 5.050 . 0 0 "[ . 1 . 2]" 1
116 1 31 HIS HB3 1 110 PHE HE2 4.000 . 5.000 2.703 2.231 3.300 . 0 0 "[ . 1 . 2]" 1
117 1 31 HIS HB3 1 110 PHE HZ 4.000 . 5.000 3.424 3.112 3.983 . 0 0 "[ . 1 . 2]" 1
118 1 31 HIS HE1 1 133 HIS HE1 4.500 . 5.500 4.735 3.112 5.511 0.011 15 0 "[ . 1 . 2]" 1
119 1 32 ILE H 1 79 PHE QE 4.500 . 5.500 4.674 4.308 4.911 . 0 0 "[ . 1 . 2]" 1
120 1 32 ILE HA 1 33 LEU H 3.000 . 3.500 2.525 2.228 2.632 . 0 0 "[ . 1 . 2]" 1
121 1 32 ILE HA 1 83 ALA HA 4.500 . 5.500 3.575 3.240 4.118 . 0 0 "[ . 1 . 2]" 1
122 1 32 ILE HA 1 87 SER HA 4.000 . 5.000 3.352 2.723 5.090 0.090 3 0 "[ . 1 . 2]" 1
123 1 32 ILE HA 1 87 SER HB2 4.000 . 5.000 4.449 3.646 4.885 . 0 0 "[ . 1 . 2]" 1
124 1 32 ILE HA 1 87 SER HB3 4.000 . 5.000 3.688 3.034 4.899 . 0 0 "[ . 1 . 2]" 1
125 1 32 ILE HB 1 79 PHE QE 4.500 . 5.500 3.848 3.311 4.416 . 0 0 "[ . 1 . 2]" 1
126 1 32 ILE HB 1 134 ILE MD 3.000 . 3.500 2.266 1.852 2.846 . 0 0 "[ . 1 . 2]" 1
127 1 32 ILE HB 1 134 ILE HG12 3.000 . 3.500 2.271 1.800 3.548 0.048 12 0 "[ . 1 . 2]" 1
128 1 32 ILE HB 1 134 ILE HG13 3.000 . 3.500 2.649 1.826 3.567 0.067 10 0 "[ . 1 . 2]" 1
129 1 32 ILE MD 1 68 ILE MD 5.000 2.300 6.000 3.562 3.250 3.864 . 0 0 "[ . 1 . 2]" 1
130 1 32 ILE MD 1 72 ILE MD 4.500 . 5.500 3.458 3.025 3.661 . 0 0 "[ . 1 . 2]" 1
131 1 32 ILE MD 1 79 PHE HA 4.500 . 5.500 3.105 2.757 3.510 . 0 0 "[ . 1 . 2]" 1
132 1 32 ILE MD 1 79 PHE QD 4.500 . 5.500 3.273 3.058 3.578 . 0 0 "[ . 1 . 2]" 1
133 1 32 ILE MD 1 79 PHE QE 5.000 2.300 6.000 3.155 2.796 3.493 . 0 0 "[ . 1 . 2]" 1
134 1 32 ILE MD 1 82 VAL HA 4.500 . 5.500 4.335 4.060 4.522 . 0 0 "[ . 1 . 2]" 1
135 1 32 ILE MD 1 82 VAL HB 4.000 . 5.000 2.869 2.514 4.122 . 0 0 "[ . 1 . 2]" 1
136 1 32 ILE MD 1 82 VAL MG1 4.000 . 5.000 2.122 1.715 2.756 0.085 3 0 "[ . 1 . 2]" 1
137 1 32 ILE MD 1 82 VAL MG2 4.500 . 5.500 3.842 3.407 3.967 . 0 0 "[ . 1 . 2]" 1
138 1 32 ILE MD 1 83 ALA HA 4.000 . 5.000 2.114 1.817 2.623 . 0 0 "[ . 1 . 2]" 1
139 1 32 ILE MD 1 83 ALA MB 4.500 . 5.500 2.108 1.803 2.433 . 0 0 "[ . 1 . 2]" 1
140 1 32 ILE MD 1 86 VAL MG1 4.500 . 5.500 2.417 1.987 3.604 . 0 0 "[ . 1 . 2]" 1
141 1 32 ILE MD 1 86 VAL MG2 5.000 2.300 6.000 3.776 1.941 3.958 0.359 9 0 "[ . 1 . 2]" 1
142 1 32 ILE MD 1 134 ILE MD 4.000 . 5.000 2.286 1.928 2.689 . 0 0 "[ . 1 . 2]" 1
143 1 32 ILE MG 1 83 ALA HA 4.000 . 5.000 2.616 2.002 3.312 . 0 0 "[ . 1 . 2]" 1
144 1 32 ILE MG 1 83 ALA MB 4.500 . 5.500 3.492 3.035 3.686 . 0 0 "[ . 1 . 2]" 1
145 1 32 ILE MG 1 86 VAL MG1 4.500 . 5.500 2.116 1.684 3.707 0.116 4 0 "[ . 1 . 2]" 1
146 1 32 ILE MG 1 86 VAL MG2 4.500 . 5.500 2.476 1.576 3.594 0.224 9 0 "[ . 1 . 2]" 1
147 1 32 ILE MG 1 87 SER HA 4.000 . 5.000 3.229 2.599 3.775 . 0 0 "[ . 1 . 2]" 1
148 1 32 ILE MG 1 87 SER HB3 4.500 . 5.500 4.202 3.575 4.474 . 0 0 "[ . 1 . 2]" 1
149 1 33 LEU HA 1 34 ILE H 3.000 . 3.500 2.258 2.191 2.394 . 0 0 "[ . 1 . 2]" 1
150 1 33 LEU HA 1 133 HIS HA 2.000 . 2.500 2.175 1.832 2.455 . 0 0 "[ . 1 . 2]" 1
151 1 33 LEU HA 1 133 HIS HB2 4.500 . 5.500 4.724 4.351 5.185 . 0 0 "[ . 1 . 2]" 1
152 1 33 LEU HA 1 133 HIS HB3 4.500 . 5.500 3.777 2.944 4.879 . 0 0 "[ . 1 . 2]" 1
153 1 33 LEU HA 1 133 HIS HE1 4.500 . 5.500 4.720 3.802 5.517 0.017 8 0 "[ . 1 . 2]" 1
154 1 33 LEU HB2 1 88 ASP HB3 4.500 . 5.500 4.210 3.265 5.055 . 0 0 "[ . 1 . 2]" 1
155 1 33 LEU HB2 1 133 HIS HE1 4.500 . 5.500 3.020 1.879 3.770 . 0 0 "[ . 1 . 2]" 1
156 1 33 LEU HB3 1 88 ASP HB3 4.500 . 5.500 4.361 3.464 4.853 . 0 0 "[ . 1 . 2]" 1
157 1 33 LEU HB3 1 133 HIS HE1 4.500 . 5.500 4.438 3.465 5.292 . 0 0 "[ . 1 . 2]" 1
158 1 33 LEU QD 1 88 ASP HA 5.000 2.300 6.000 1.868 1.699 3.448 0.601 19 18 "[** *** *********-*+*]" 1
159 1 33 LEU QD 1 88 ASP HB2 5.000 2.300 5.000 2.397 1.750 2.793 0.550 7 2 "[ - . + 1 . 2]" 1
160 1 33 LEU QD 1 88 ASP HB3 5.000 2.300 5.000 3.395 1.707 3.782 0.593 3 1 "[ + . 1 . 2]" 1
161 1 33 LEU QD 1 89 CYS HA 5.000 2.300 6.000 4.975 4.779 5.136 . 0 0 "[ . 1 . 2]" 1
162 1 33 LEU QD 1 89 CYS HB2 5.000 2.300 6.000 4.804 4.322 5.050 . 0 0 "[ . 1 . 2]" 1
163 1 33 LEU QD 1 89 CYS HB3 5.000 2.300 6.000 4.807 4.473 5.048 . 0 0 "[ . 1 . 2]" 1
164 1 33 LEU QD 1 130 SER HA 4.500 . 5.500 3.837 3.565 4.234 . 0 0 "[ . 1 . 2]" 1
165 1 33 LEU QD 1 130 SER QB 4.000 . 5.000 1.921 1.675 2.153 0.125 17 0 "[ . 1 . 2]" 1
166 1 33 LEU QD 1 131 GLY H 4.000 . 5.000 2.878 2.583 3.250 . 0 0 "[ . 1 . 2]" 1
167 1 33 LEU QD 1 131 GLY HA2 4.000 . 5.000 3.935 3.716 4.079 . 0 0 "[ . 1 . 2]" 1
168 1 33 LEU QD 1 131 GLY HA3 4.000 . 5.000 2.739 2.506 2.942 . 0 0 "[ . 1 . 2]" 1
169 1 33 LEU QD 1 132 VAL H 4.000 . 5.000 3.196 2.355 3.731 . 0 0 "[ . 1 . 2]" 1
170 1 33 LEU QD 1 132 VAL HA 4.500 . 5.500 4.232 3.921 4.506 . 0 0 "[ . 1 . 2]" 1
171 1 33 LEU QD 1 133 HIS HA 4.000 . 5.000 3.263 2.768 3.457 . 0 0 "[ . 1 . 2]" 1
172 1 33 LEU QD 1 133 HIS HB2 4.500 . 5.500 4.298 3.758 4.417 . 0 0 "[ . 1 . 2]" 1
173 1 33 LEU QD 1 133 HIS HB3 4.500 . 5.500 3.975 3.575 4.377 . 0 0 "[ . 1 . 2]" 1
174 1 33 LEU QD 1 133 HIS HD2 4.500 . 5.500 3.078 2.352 3.850 . 0 0 "[ . 1 . 2]" 1
175 1 33 LEU QD 1 133 HIS HE1 4.000 . 5.000 2.176 1.885 3.091 . 0 0 "[ . 1 . 2]" 1
176 1 33 LEU HG 1 88 ASP HB2 4.000 . 5.000 4.649 2.429 5.032 0.032 20 0 "[ . 1 . 2]" 1
177 1 33 LEU HG 1 130 SER QB 4.000 . 5.000 4.394 4.078 4.545 . 0 0 "[ . 1 . 2]" 1
178 1 33 LEU HG 1 133 HIS HE1 4.500 . 5.500 4.853 4.232 5.313 . 0 0 "[ . 1 . 2]" 1
179 1 34 ILE HA 1 35 LYS H 3.000 . 3.500 2.912 2.270 3.433 . 0 0 "[ . 1 . 2]" 1
180 1 34 ILE HA 1 86 VAL MG1 4.500 . 5.500 4.318 3.619 4.595 . 0 0 "[ . 1 . 2]" 1
181 1 34 ILE HA 1 86 VAL MG2 4.500 . 5.500 2.175 1.746 3.456 0.054 12 0 "[ . 1 . 2]" 1
182 1 34 ILE HB 1 35 LYS H 4.000 . 5.000 3.558 1.851 4.601 . 0 0 "[ . 1 . 2]" 1
183 1 34 ILE MD 1 61 ALA HA 4.500 . 5.500 4.057 1.785 4.433 0.015 8 0 "[ . 1 . 2]" 1
184 1 34 ILE MD 1 64 GLN HA 4.500 . 5.500 4.216 3.800 4.459 . 0 0 "[ . 1 . 2]" 1
185 1 34 ILE MD 1 64 GLN HB2 4.000 . 5.000 3.578 2.474 4.138 . 0 0 "[ . 1 . 2]" 1
186 1 34 ILE MD 1 64 GLN HB3 4.000 . 5.000 2.239 1.828 3.113 . 0 0 "[ . 1 . 2]" 1
187 1 34 ILE MD 1 64 GLN HG3 4.000 . 5.000 3.525 2.329 4.123 . 0 0 "[ . 1 . 2]" 1
188 1 34 ILE MD 1 65 LEU HA 4.000 . 5.000 2.821 1.800 3.902 . 0 0 "[ . 1 . 2]" 1
189 1 34 ILE MG 1 61 ALA HA 4.500 . 5.500 3.399 2.820 4.364 . 0 0 "[ . 1 . 2]" 1
190 1 34 ILE MG 1 64 GLN HB2 4.000 . 5.000 3.708 3.266 4.063 . 0 0 "[ . 1 . 2]" 1
191 1 34 ILE MG 1 64 GLN HB3 4.000 . 5.000 2.792 2.295 3.535 . 0 0 "[ . 1 . 2]" 1
192 1 35 LYS HA 1 36 HIS H 3.000 . 3.500 2.343 2.219 2.538 . 0 0 "[ . 1 . 2]" 1
193 1 36 HIS HA 1 37 GLN H 3.000 . 3.500 2.899 2.669 3.057 . 0 0 "[ . 1 . 2]" 1
194 1 36 HIS HA 1 56 THR HB 3.000 . 3.500 2.488 1.841 3.559 0.059 5 0 "[ . 1 . 2]" 1
195 1 36 HIS HA 1 56 THR MG 3.000 . 3.500 2.177 1.823 2.856 . 0 0 "[ . 1 . 2]" 1
196 1 36 HIS HB2 1 56 THR MG 3.000 . 3.500 2.271 1.874 2.647 . 0 0 "[ . 1 . 2]" 1
197 1 36 HIS HB2 1 57 THR HA 3.000 . 3.500 3.348 2.756 3.578 0.078 5 0 "[ . 1 . 2]" 1
198 1 36 HIS HB2 1 132 VAL MG1 4.500 . 5.500 4.289 4.003 4.473 . 0 0 "[ . 1 . 2]" 1
199 1 36 HIS HB2 1 132 VAL MG2 5.000 2.300 6.000 3.903 2.832 4.790 . 0 0 "[ . 1 . 2]" 1
200 1 36 HIS HB3 1 56 THR HB 4.500 . 5.500 3.876 3.014 4.514 . 0 0 "[ . 1 . 2]" 1
201 1 36 HIS HB3 1 56 THR MG 4.000 . 5.000 2.204 1.863 2.678 . 0 0 "[ . 1 . 2]" 1
202 1 36 HIS HB3 1 57 THR HA 4.000 . 5.000 4.961 4.496 5.087 0.087 4 0 "[ . 1 . 2]" 1
203 1 36 HIS HB3 1 132 VAL MG1 4.000 . 5.000 3.914 3.764 4.054 . 0 0 "[ . 1 . 2]" 1
204 1 36 HIS HD2 1 38 GLY HA2 4.500 . 5.500 5.122 4.321 5.528 0.028 13 0 "[ . 1 . 2]" 1
205 1 36 HIS HD2 1 38 GLY HA3 4.500 . 5.500 5.207 4.209 5.557 0.057 19 0 "[ . 1 . 2]" 1
206 1 36 HIS HD2 1 56 THR MG 4.500 . 5.500 4.456 4.069 4.563 . 0 0 "[ . 1 . 2]" 1
207 1 36 HIS HD2 1 127 ASP HA 4.500 . 5.500 5.237 4.842 5.533 0.033 11 0 "[ . 1 . 2]" 1
208 1 36 HIS HD2 1 131 GLY HA2 4.000 . 5.000 4.053 2.417 4.801 . 0 0 "[ . 1 . 2]" 1
209 1 36 HIS HD2 1 131 GLY HA3 4.000 . 5.000 4.278 1.853 5.001 0.001 10 0 "[ . 1 . 2]" 1
210 1 36 HIS HD2 1 132 VAL HA 4.500 . 5.500 5.193 4.359 5.475 . 0 0 "[ . 1 . 2]" 1
211 1 36 HIS HD2 1 132 VAL HB 4.500 . 5.500 5.162 4.486 5.533 0.033 20 0 "[ . 1 . 2]" 1
212 1 36 HIS HD2 1 132 VAL MG1 4.000 . 5.000 2.440 2.007 3.434 . 0 0 "[ . 1 . 2]" 1
213 1 36 HIS HE1 1 38 GLY HA2 4.000 . 5.000 3.171 2.347 4.448 . 0 0 "[ . 1 . 2]" 1
214 1 36 HIS HE1 1 38 GLY HA3 4.000 . 5.000 2.191 1.854 4.697 . 0 0 "[ . 1 . 2]" 1
215 1 37 GLN HA 1 38 GLY H 3.000 . 3.500 3.193 2.359 3.575 0.075 1 0 "[ . 1 . 2]" 1
216 1 37 GLN HB2 1 57 THR HA 4.000 . 5.000 2.559 1.881 3.982 . 0 0 "[ . 1 . 2]" 1
217 1 37 GLN HB2 1 57 THR HB 4.500 . 5.500 3.801 2.895 4.676 . 0 0 "[ . 1 . 2]" 1
218 1 37 GLN HB3 1 57 THR HA 4.000 . 5.000 3.759 2.182 4.492 . 0 0 "[ . 1 . 2]" 1
219 1 37 GLN HB3 1 57 THR HB 4.500 . 5.500 4.752 3.287 5.520 0.020 5 0 "[ . 1 . 2]" 1
220 1 37 GLN HG2 1 57 THR HA 4.000 . 5.000 2.705 1.898 4.858 . 0 0 "[ . 1 . 2]" 1
221 1 37 GLN HG2 1 57 THR HB 4.500 . 5.500 3.951 2.081 5.503 0.003 12 0 "[ . 1 . 2]" 1
222 1 37 GLN HG3 1 57 THR HA 4.000 . 5.000 2.481 1.837 4.368 . 0 0 "[ . 1 . 2]" 1
223 1 37 GLN HG3 1 57 THR HB 4.500 . 5.500 2.910 1.856 4.245 . 0 0 "[ . 1 . 2]" 1
224 1 37 GLN HG3 1 58 ARG HA 4.500 . 5.500 5.233 3.455 5.546 0.046 5 0 "[ . 1 . 2]" 1
225 1 45 TRP HE1 1 92 ALA MB 4.000 . 5.000 3.688 2.663 4.215 . 0 0 "[ . 1 . 2]" 1
226 1 45 TRP HZ3 1 46 LYS HG2 4.500 . 5.500 4.574 3.181 5.512 0.012 10 0 "[ . 1 . 2]" 1
227 1 45 TRP HZ3 1 46 LYS HG3 4.500 . 5.500 4.678 3.379 5.511 0.011 9 0 "[ . 1 . 2]" 1
228 1 55 THR HA 1 56 THR H 3.000 . 3.500 3.034 2.251 3.580 0.080 11 0 "[ . 1 . 2]" 1
229 1 55 THR HB 1 56 THR H 3.000 . 3.500 2.827 1.850 3.512 0.012 10 0 "[ . 1 . 2]" 1
230 1 55 THR MG 1 56 THR H 4.000 . 5.000 2.866 1.858 3.985 . 0 0 "[ . 1 . 2]" 1
231 1 57 THR HA 1 58 ARG H 3.000 . 3.500 2.615 2.401 2.902 . 0 0 "[ . 1 . 2]" 1
232 1 57 THR HA 1 60 ALA MB 4.000 . 5.000 4.026 3.929 4.120 . 0 0 "[ . 1 . 2]" 1
233 1 57 THR HB 1 58 ARG H 2.000 . 2.500 2.314 2.010 2.625 0.125 4 0 "[ . 1 . 2]" 1
234 1 57 THR HB 1 60 ALA MB 4.500 . 5.500 3.712 1.896 4.378 . 0 0 "[ . 1 . 2]" 1
235 1 58 ARG H 1 59 GLU H 3.000 . 3.500 3.103 2.524 3.434 . 0 0 "[ . 1 . 2]" 1
236 1 58 ARG HA 1 59 GLU H 3.000 . 3.500 3.566 3.540 3.585 0.085 20 0 "[ . 1 . 2]" 1
237 1 58 ARG HA 1 61 ALA H 4.000 . 5.000 3.841 3.255 4.092 . 0 0 "[ . 1 . 2]" 1
238 1 58 ARG HA 1 61 ALA MB 3.000 . 3.500 2.629 1.973 2.852 . 0 0 "[ . 1 . 2]" 1
239 1 59 GLU H 1 59 GLU HA 3.000 . 3.500 2.833 2.754 2.898 . 0 0 "[ . 1 . 2]" 1
240 1 59 GLU H 1 59 GLU HB2 2.000 . 2.500 2.335 2.192 2.421 . 0 0 "[ . 1 . 2]" 1
241 1 59 GLU H 1 59 GLU HB3 2.000 . 2.500 2.534 2.469 2.648 0.148 7 0 "[ . 1 . 2]" 1
242 1 59 GLU H 1 59 GLU HG2 4.000 . 5.000 4.466 4.330 4.578 . 0 0 "[ . 1 . 2]" 1
243 1 59 GLU H 1 59 GLU HG3 4.000 . 5.000 4.379 4.251 4.459 . 0 0 "[ . 1 . 2]" 1
244 1 59 GLU H 1 60 ALA H 3.000 . 3.500 2.918 2.541 3.169 . 0 0 "[ . 1 . 2]" 1
245 1 59 GLU HA 1 62 VAL H 4.000 . 5.000 3.848 3.492 4.186 . 0 0 "[ . 1 . 2]" 1
246 1 59 GLU HA 1 62 VAL HB 3.000 . 3.500 3.356 2.730 3.558 0.058 14 0 "[ . 1 . 2]" 1
247 1 59 GLU HA 1 63 GLU H 4.500 . 5.500 4.439 3.993 4.886 . 0 0 "[ . 1 . 2]" 1
248 1 59 GLU HB2 1 60 ALA H 3.000 . 3.500 3.542 3.503 3.591 0.091 7 0 "[ . 1 . 2]" 1
249 1 59 GLU HB3 1 60 ALA H 3.000 . 3.500 2.084 1.978 2.304 . 0 0 "[ . 1 . 2]" 1
250 1 60 ALA H 1 60 ALA HA 3.000 . 3.500 2.795 2.743 2.884 . 0 0 "[ . 1 . 2]" 1
251 1 60 ALA H 1 60 ALA MB 3.000 . 3.500 1.965 1.873 2.163 . 0 0 "[ . 1 . 2]" 1
252 1 60 ALA HA 1 61 ALA H 3.000 . 3.500 3.557 3.483 3.581 0.081 2 0 "[ . 1 . 2]" 1
253 1 60 ALA HA 1 63 GLU H 3.000 . 3.500 3.443 3.259 3.542 0.042 14 0 "[ . 1 . 2]" 1
254 1 60 ALA HA 1 63 GLU HB2 3.000 . 3.500 2.390 2.074 2.927 . 0 0 "[ . 1 . 2]" 1
255 1 60 ALA HA 1 63 GLU HB3 3.000 . 3.500 3.064 2.435 3.515 0.015 8 0 "[ . 1 . 2]" 1
256 1 60 ALA HA 1 63 GLU HG2 4.000 . 5.000 4.481 3.490 5.022 0.022 14 0 "[ . 1 . 2]" 1
257 1 60 ALA HA 1 63 GLU HG3 4.000 . 5.000 4.445 3.407 5.011 0.011 7 0 "[ . 1 . 2]" 1
258 1 60 ALA HA 1 64 GLN H 4.000 . 5.000 3.923 3.589 4.269 . 0 0 "[ . 1 . 2]" 1
259 1 60 ALA MB 1 61 ALA H 3.000 . 3.500 2.503 2.073 2.850 . 0 0 "[ . 1 . 2]" 1
260 1 61 ALA H 1 61 ALA HA 3.000 . 3.500 2.803 2.753 2.924 . 0 0 "[ . 1 . 2]" 1
261 1 61 ALA H 1 61 ALA MB 3.000 . 3.500 2.066 1.926 2.175 . 0 0 "[ . 1 . 2]" 1
262 1 61 ALA H 1 62 VAL H 3.000 . 3.500 3.068 2.540 3.294 . 0 0 "[ . 1 . 2]" 1
263 1 61 ALA HA 1 62 VAL H 3.000 . 3.500 3.575 3.566 3.582 0.082 3 0 "[ . 1 . 2]" 1
264 1 61 ALA HA 1 64 GLN H 3.000 . 3.500 3.437 3.195 3.551 0.051 15 0 "[ . 1 . 2]" 1
265 1 61 ALA HA 1 64 GLN HB2 3.000 . 3.500 2.817 2.245 3.425 . 0 0 "[ . 1 . 2]" 1
266 1 61 ALA HA 1 64 GLN HB3 3.000 . 3.500 3.414 2.610 3.555 0.055 9 0 "[ . 1 . 2]" 1
267 1 61 ALA MB 1 62 VAL H 3.000 . 3.500 2.118 1.896 2.355 . 0 0 "[ . 1 . 2]" 1
268 1 62 VAL H 1 62 VAL HA 3.000 . 3.500 2.805 2.767 2.846 . 0 0 "[ . 1 . 2]" 1
269 1 62 VAL H 1 62 VAL HB 3.000 . 3.500 2.345 2.001 2.734 . 0 0 "[ . 1 . 2]" 1
270 1 62 VAL H 1 63 GLU H 3.000 . 3.500 2.813 2.632 2.945 . 0 0 "[ . 1 . 2]" 1
271 1 62 VAL HA 1 63 GLU H 3.000 . 3.500 3.543 3.499 3.579 0.079 15 0 "[ . 1 . 2]" 1
272 1 62 VAL HA 1 65 LEU H 3.000 . 3.500 3.449 3.291 3.582 0.082 7 0 "[ . 1 . 2]" 1
273 1 62 VAL HA 1 65 LEU HB2 3.000 . 3.500 2.744 2.126 3.449 . 0 0 "[ . 1 . 2]" 1
274 1 62 VAL HA 1 65 LEU HB3 3.000 . 3.500 3.066 2.025 3.553 0.053 12 0 "[ . 1 . 2]" 1
275 1 62 VAL HA 1 65 LEU MD1 4.500 . 5.500 3.996 2.880 4.675 . 0 0 "[ . 1 . 2]" 1
276 1 62 VAL HA 1 65 LEU MD2 4.000 . 5.000 3.696 2.747 4.080 . 0 0 "[ . 1 . 2]" 1
277 1 62 VAL HA 1 125 ILE MD 4.000 . 5.000 3.587 2.484 3.942 . 0 0 "[ . 1 . 2]" 1
278 1 62 VAL HA 1 125 ILE MG 4.000 . 5.000 2.120 1.764 2.869 0.036 16 0 "[ . 1 . 2]" 1
279 1 62 VAL HA 1 132 VAL MG1 4.000 . 5.000 3.705 2.861 4.053 . 0 0 "[ . 1 . 2]" 1
280 1 62 VAL HB 1 125 ILE MD 4.500 . 5.500 4.345 3.952 4.489 . 0 0 "[ . 1 . 2]" 1
281 1 62 VAL HB 1 125 ILE MG 4.000 . 5.000 3.743 2.985 4.144 . 0 0 "[ . 1 . 2]" 1
282 1 63 GLU H 1 63 GLU HA 3.000 . 3.500 2.870 2.806 2.920 . 0 0 "[ . 1 . 2]" 1
283 1 63 GLU H 1 63 GLU HB2 3.000 . 3.500 2.026 1.948 2.289 . 0 0 "[ . 1 . 2]" 1
284 1 63 GLU H 1 63 GLU HB3 3.000 . 3.500 3.095 2.600 3.419 . 0 0 "[ . 1 . 2]" 1
285 1 63 GLU H 1 63 GLU HG3 4.000 . 5.000 3.907 2.870 4.437 . 0 0 "[ . 1 . 2]" 1
286 1 63 GLU H 1 64 GLN H 3.000 . 3.500 2.714 2.487 2.943 . 0 0 "[ . 1 . 2]" 1
287 1 63 GLU HA 1 64 GLN H 3.000 . 3.500 3.566 3.545 3.584 0.084 15 0 "[ . 1 . 2]" 1
288 1 63 GLU HA 1 66 LYS HB2 3.000 . 3.500 2.326 2.034 3.228 . 0 0 "[ . 1 . 2]" 1
289 1 63 GLU HA 1 66 LYS HB3 3.000 . 3.500 3.291 2.454 3.568 0.068 15 0 "[ . 1 . 2]" 1
290 1 63 GLU HA 1 66 LYS HD2 4.000 . 5.000 3.511 2.067 4.986 . 0 0 "[ . 1 . 2]" 1
291 1 63 GLU HA 1 66 LYS HD3 4.000 . 5.000 4.213 2.347 4.992 . 0 0 "[ . 1 . 2]" 1
292 1 63 GLU HA 1 66 LYS HE2 4.000 . 5.000 3.871 2.645 5.022 0.022 11 0 "[ . 1 . 2]" 1
293 1 63 GLU HA 1 66 LYS HG2 4.000 . 5.000 4.261 2.136 5.008 0.008 13 0 "[ . 1 . 2]" 1
294 1 63 GLU HA 1 66 LYS HG3 4.000 . 5.000 4.259 1.874 5.050 0.050 4 0 "[ . 1 . 2]" 1
295 1 63 GLU HB2 1 64 GLN H 3.000 . 3.500 3.049 2.467 3.510 0.010 7 0 "[ . 1 . 2]" 1
296 1 63 GLU HB3 1 64 GLN H 3.000 . 3.500 2.559 2.134 2.974 . 0 0 "[ . 1 . 2]" 1
297 1 64 GLN H 1 64 GLN HA 3.000 . 3.500 2.850 2.816 2.895 . 0 0 "[ . 1 . 2]" 1
298 1 64 GLN H 1 64 GLN HB2 3.000 . 3.500 2.014 1.936 2.400 . 0 0 "[ . 1 . 2]" 1
299 1 64 GLN H 1 64 GLN HB3 3.000 . 3.500 3.073 2.472 3.412 . 0 0 "[ . 1 . 2]" 1
300 1 64 GLN H 1 65 LEU H 3.000 . 3.500 2.664 2.591 2.731 . 0 0 "[ . 1 . 2]" 1
301 1 64 GLN HA 1 65 LEU H 3.000 . 3.500 3.534 3.508 3.571 0.071 19 0 "[ . 1 . 2]" 1
302 1 64 GLN HB2 1 65 LEU H 3.000 . 3.500 3.251 2.899 3.573 0.073 18 0 "[ . 1 . 2]" 1
303 1 64 GLN HB3 1 65 LEU H 3.000 . 3.500 2.807 2.136 3.304 . 0 0 "[ . 1 . 2]" 1
304 1 65 LEU H 1 65 LEU HA 3.000 . 3.500 2.908 2.849 2.944 . 0 0 "[ . 1 . 2]" 1
305 1 65 LEU H 1 65 LEU HB2 3.000 . 3.500 2.073 1.934 2.454 . 0 0 "[ . 1 . 2]" 1
306 1 65 LEU H 1 65 LEU HB3 3.000 . 3.500 3.040 2.388 3.422 . 0 0 "[ . 1 . 2]" 1
307 1 65 LEU H 1 66 LYS H 3.000 . 3.500 2.477 2.332 2.661 . 0 0 "[ . 1 . 2]" 1
308 1 65 LEU HA 1 66 LYS H 3.000 . 3.500 3.514 3.432 3.573 0.073 12 0 "[ . 1 . 2]" 1
309 1 65 LEU HA 1 68 ILE H 3.000 . 3.500 3.147 2.836 3.458 . 0 0 "[ . 1 . 2]" 1
310 1 65 LEU HA 1 68 ILE HB 3.000 . 3.500 2.190 1.836 3.029 . 0 0 "[ . 1 . 2]" 1
311 1 66 LYS H 1 66 LYS HA 3.000 . 3.500 2.834 2.772 2.928 . 0 0 "[ . 1 . 2]" 1
312 1 66 LYS H 1 66 LYS HB3 3.000 . 3.500 3.086 2.269 3.515 0.015 10 0 "[ . 1 . 2]" 1
313 1 66 LYS H 1 67 SER H 3.000 . 3.500 2.798 2.410 3.021 . 0 0 "[ . 1 . 2]" 1
314 1 66 LYS HA 1 67 SER H 3.000 . 3.500 3.556 3.515 3.575 0.075 8 0 "[ . 1 . 2]" 1
315 1 66 LYS HA 1 125 ILE MD 4.000 . 5.000 3.738 2.024 4.120 . 0 0 "[ . 1 . 2]" 1
316 1 66 LYS HA 1 125 ILE MG 4.500 . 5.500 3.833 2.345 4.457 . 0 0 "[ . 1 . 2]" 1
317 1 66 LYS HE2 1 125 ILE MD 4.000 . 5.000 2.990 1.931 4.059 . 0 0 "[ . 1 . 2]" 1
318 1 66 LYS HE2 1 125 ILE MG 4.000 . 5.000 3.807 3.278 4.146 . 0 0 "[ . 1 . 2]" 1
319 1 67 SER H 1 67 SER HA 3.000 . 3.500 2.898 2.815 2.949 . 0 0 "[ . 1 . 2]" 1
320 1 67 SER H 1 67 SER HB3 3.000 . 3.500 2.809 2.021 3.527 0.027 19 0 "[ . 1 . 2]" 1
321 1 67 SER H 1 68 ILE H 3.000 . 3.500 2.537 2.346 2.759 . 0 0 "[ . 1 . 2]" 1
322 1 67 SER HA 1 68 ILE H 3.000 . 3.500 3.540 3.508 3.564 0.064 18 0 "[ . 1 . 2]" 1
323 1 67 SER HA 1 70 GLU H 3.000 . 3.500 3.282 3.050 3.435 . 0 0 "[ . 1 . 2]" 1
324 1 67 SER HA 1 70 GLU HB2 3.000 . 3.500 3.237 2.646 3.517 0.017 17 0 "[ . 1 . 2]" 1
325 1 67 SER HA 1 70 GLU HB3 3.000 . 3.500 2.014 1.876 2.198 . 0 0 "[ . 1 . 2]" 1
326 1 67 SER HA 1 70 GLU HG2 3.000 . 3.500 3.444 3.250 3.532 0.032 20 0 "[ . 1 . 2]" 1
327 1 67 SER HA 1 70 GLU HG3 3.000 . 3.500 3.563 3.527 3.587 0.087 19 0 "[ . 1 . 2]" 1
328 1 68 ILE H 1 68 ILE HA 3.000 . 3.500 2.842 2.788 2.880 . 0 0 "[ . 1 . 2]" 1
329 1 68 ILE H 1 69 ARG H 3.000 . 3.500 2.850 2.680 3.111 . 0 0 "[ . 1 . 2]" 1
330 1 68 ILE HA 1 69 ARG H 3.000 . 3.500 3.577 3.560 3.590 0.090 5 0 "[ . 1 . 2]" 1
331 1 68 ILE HA 1 71 ASP H 3.000 . 3.500 3.490 3.312 3.543 0.043 16 0 "[ . 1 . 2]" 1
332 1 68 ILE HA 1 71 ASP HB2 3.000 . 3.500 2.654 2.096 3.279 . 0 0 "[ . 1 . 2]" 1
333 1 68 ILE HA 1 71 ASP HB3 3.000 . 3.500 3.267 2.316 3.529 0.029 5 0 "[ . 1 . 2]" 1
334 1 68 ILE HB 1 69 ARG H 3.000 . 3.500 3.161 2.794 3.524 0.024 13 0 "[ . 1 . 2]" 1
335 1 68 ILE MD 1 72 ILE HA 4.500 . 5.500 4.509 4.312 4.637 . 0 0 "[ . 1 . 2]" 1
336 1 69 ARG H 1 70 GLU H 3.000 . 3.500 2.671 2.470 2.895 . 0 0 "[ . 1 . 2]" 1
337 1 69 ARG HA 1 72 ILE H 4.000 . 5.000 3.704 3.334 3.924 . 0 0 "[ . 1 . 2]" 1
338 1 69 ARG HA 1 72 ILE HB 3.000 . 3.500 2.474 2.198 2.775 . 0 0 "[ . 1 . 2]" 1
339 1 69 ARG HA 1 72 ILE MD 4.500 . 5.500 3.735 2.594 4.684 . 0 0 "[ . 1 . 2]" 1
340 1 70 GLU H 1 70 GLU HA 3.000 . 3.500 2.880 2.840 2.914 . 0 0 "[ . 1 . 2]" 1
341 1 70 GLU H 1 70 GLU HB2 3.000 . 3.500 2.766 2.425 2.948 . 0 0 "[ . 1 . 2]" 1
342 1 70 GLU H 1 70 GLU HB3 3.000 . 3.500 2.064 1.928 2.345 . 0 0 "[ . 1 . 2]" 1
343 1 70 GLU H 1 70 GLU HG3 4.000 . 5.000 4.058 3.814 4.381 . 0 0 "[ . 1 . 2]" 1
344 1 70 GLU H 1 71 ASP H 3.000 . 3.500 2.749 2.542 2.888 . 0 0 "[ . 1 . 2]" 1
345 1 70 GLU HA 1 71 ASP H 3.000 . 3.500 3.555 3.545 3.564 0.064 10 0 "[ . 1 . 2]" 1
346 1 70 GLU HA 1 73 VAL H 3.000 . 3.500 3.253 3.133 3.409 . 0 0 "[ . 1 . 2]" 1
347 1 70 GLU HA 1 73 VAL HB 3.000 . 3.500 1.900 1.829 2.055 . 0 0 "[ . 1 . 2]" 1
348 1 70 GLU HA 1 73 VAL MG1 3.000 . 3.500 2.861 2.762 2.928 . 0 0 "[ . 1 . 2]" 1
349 1 70 GLU HA 1 73 VAL MG2 3.000 . 3.500 2.814 2.715 2.913 . 0 0 "[ . 1 . 2]" 1
350 1 70 GLU HB2 1 71 ASP H 3.000 . 3.500 3.695 3.643 3.732 0.232 4 0 "[ . 1 . 2]" 1
351 1 70 GLU HB3 1 71 ASP H 3.000 . 3.500 2.316 2.190 2.502 . 0 0 "[ . 1 . 2]" 1
352 1 70 GLU HG3 1 71 ASP H 3.000 . 3.500 2.486 1.961 3.427 . 0 0 "[ . 1 . 2]" 1
353 1 71 ASP H 1 71 ASP HA 3.000 . 3.500 2.820 2.774 2.865 . 0 0 "[ . 1 . 2]" 1
354 1 71 ASP H 1 71 ASP HB3 3.000 . 3.500 3.197 2.642 3.516 0.016 6 0 "[ . 1 . 2]" 1
355 1 71 ASP H 1 72 ILE H 3.000 . 3.500 2.884 2.725 3.038 . 0 0 "[ . 1 . 2]" 1
356 1 71 ASP HA 1 74 SER H 3.000 . 3.500 3.541 3.493 3.566 0.066 11 0 "[ . 1 . 2]" 1
357 1 71 ASP HB3 1 77 ALA MB 4.500 . 5.500 4.261 3.208 4.644 . 0 0 "[ . 1 . 2]" 1
358 1 72 ILE H 1 73 VAL H 3.000 . 3.500 2.547 2.485 2.636 . 0 0 "[ . 1 . 2]" 1
359 1 72 ILE HA 1 73 VAL H 3.000 . 3.500 3.479 3.419 3.509 0.009 10 0 "[ . 1 . 2]" 1
360 1 72 ILE HA 1 122 ILE MD 4.000 . 5.000 4.202 4.085 4.297 . 0 0 "[ . 1 . 2]" 1
361 1 72 ILE HB 1 73 VAL H 3.000 . 3.500 2.853 2.635 3.136 . 0 0 "[ . 1 . 2]" 1
362 1 72 ILE MD 1 79 PHE HB2 4.500 . 5.500 3.812 2.972 4.609 . 0 0 "[ . 1 . 2]" 1
363 1 72 ILE MD 1 79 PHE QD 4.500 . 5.500 2.278 1.802 2.686 . 0 0 "[ . 1 . 2]" 1
364 1 72 ILE MG 1 79 PHE QD 4.500 . 5.500 3.026 2.542 3.739 . 0 0 "[ . 1 . 2]" 1
365 1 72 ILE MG 1 79 PHE QE 4.500 . 5.500 3.690 2.866 4.316 . 0 0 "[ . 1 . 2]" 1
366 1 73 VAL H 1 73 VAL HA 3.000 . 3.500 2.901 2.861 2.942 . 0 0 "[ . 1 . 2]" 1
367 1 73 VAL H 1 73 VAL HB 3.000 . 3.500 1.998 1.916 2.054 . 0 0 "[ . 1 . 2]" 1
368 1 73 VAL H 1 74 SER H 3.000 . 3.500 2.711 2.432 2.849 . 0 0 "[ . 1 . 2]" 1
369 1 73 VAL HA 1 74 SER H 3.000 . 3.500 3.578 3.522 3.590 0.090 6 0 "[ . 1 . 2]" 1
370 1 73 VAL HA 1 122 ILE MD 4.000 . 5.000 2.522 1.710 3.971 0.090 3 0 "[ . 1 . 2]" 1
371 1 73 VAL HB 1 74 SER H 3.000 . 3.500 2.625 2.362 2.969 . 0 0 "[ . 1 . 2]" 1
372 1 74 SER H 1 74 SER HA 3.000 . 3.500 2.975 2.919 2.983 . 0 0 "[ . 1 . 2]" 1
373 1 74 SER H 1 74 SER HB3 3.000 . 3.500 3.335 2.256 3.558 0.058 4 0 "[ . 1 . 2]" 1
374 1 74 SER H 1 75 GLY H 4.000 . 5.000 4.140 2.191 4.598 . 0 0 "[ . 1 . 2]" 1
375 1 74 SER HA 1 75 GLY H 3.000 . 3.500 2.530 2.228 3.551 0.051 7 0 "[ . 1 . 2]" 1
376 1 74 SER HB2 1 75 GLY H 3.000 . 3.500 3.474 2.707 3.581 0.081 1 0 "[ . 1 . 2]" 1
377 1 74 SER HB3 1 75 GLY H 3.000 . 3.500 3.406 2.307 3.600 0.100 10 0 "[ . 1 . 2]" 1
378 1 75 GLY H 1 75 GLY HA2 3.000 . 3.500 2.503 2.329 2.993 . 0 0 "[ . 1 . 2]" 1
379 1 75 GLY H 1 75 GLY HA3 3.000 . 3.500 2.850 2.438 2.979 . 0 0 "[ . 1 . 2]" 1
380 1 75 GLY H 1 76 LYS H 3.000 . 3.500 3.530 3.001 3.649 0.149 2 0 "[ . 1 . 2]" 1
381 1 75 GLY H 1 77 ALA H 4.000 . 5.000 5.007 4.224 5.220 0.220 11 0 "[ . 1 . 2]" 1
382 1 75 GLY HA2 1 76 LYS H 3.000 . 3.500 2.265 2.171 2.773 . 0 0 "[ . 1 . 2]" 1
383 1 75 GLY HA2 1 77 ALA H 4.000 . 5.000 4.257 4.082 5.005 0.005 18 0 "[ . 1 . 2]" 1
384 1 75 GLY HA3 1 76 LYS H 3.000 . 3.500 3.393 3.306 3.551 0.051 18 0 "[ . 1 . 2]" 1
385 1 75 GLY HA3 1 77 ALA H 4.000 . 5.000 3.670 3.477 4.486 . 0 0 "[ . 1 . 2]" 1
386 1 76 LYS H 1 76 LYS HA 3.000 . 3.500 2.837 2.461 2.905 . 0 0 "[ . 1 . 2]" 1
387 1 76 LYS H 1 76 LYS HB2 2.000 . 2.500 2.395 2.128 2.604 0.104 4 0 "[ . 1 . 2]" 1
388 1 76 LYS H 1 76 LYS HB3 2.000 . 2.500 2.508 2.365 2.725 0.225 4 0 "[ . 1 . 2]" 1
389 1 76 LYS H 1 76 LYS HD2 4.000 . 5.000 4.691 3.939 5.012 0.012 4 0 "[ . 1 . 2]" 1
390 1 76 LYS H 1 76 LYS HD3 4.000 . 5.000 4.751 4.157 5.082 0.082 18 0 "[ . 1 . 2]" 1
391 1 76 LYS H 1 76 LYS HG3 4.500 . 5.500 4.392 4.248 4.674 . 0 0 "[ . 1 . 2]" 1
392 1 76 LYS H 1 77 ALA H 3.000 . 3.500 3.577 3.492 3.729 0.229 18 0 "[ . 1 . 2]" 1
393 1 76 LYS HA 1 77 ALA H 3.000 . 3.500 2.702 2.477 2.779 . 0 0 "[ . 1 . 2]" 1
394 1 76 LYS HB2 1 77 ALA H 4.000 . 5.000 4.649 4.583 4.676 . 0 0 "[ . 1 . 2]" 1
395 1 76 LYS HB3 1 77 ALA H 4.000 . 5.000 4.317 4.249 4.454 . 0 0 "[ . 1 . 2]" 1
396 1 77 ALA H 1 77 ALA HA 3.000 . 3.500 2.834 2.736 2.930 . 0 0 "[ . 1 . 2]" 1
397 1 77 ALA H 1 77 ALA MB 2.000 . 2.500 1.988 1.863 2.117 . 0 0 "[ . 1 . 2]" 1
398 1 77 ALA HA 1 78 ASN H 3.000 . 3.500 2.857 2.354 3.533 0.033 9 0 "[ . 1 . 2]" 1
399 1 77 ALA MB 1 78 ASN H 3.000 . 3.500 2.364 1.896 3.004 . 0 0 "[ . 1 . 2]" 1
400 1 78 ASN H 1 78 ASN HA 3.000 . 3.500 2.815 2.358 3.001 . 0 0 "[ . 1 . 2]" 1
401 1 78 ASN H 1 78 ASN HB2 3.000 . 3.500 2.563 1.955 3.559 0.059 11 0 "[ . 1 . 2]" 1
402 1 78 ASN H 1 78 ASN HB3 3.000 . 3.500 3.384 2.734 3.729 0.229 15 0 "[ . 1 . 2]" 1
403 1 78 ASN HB2 1 79 PHE H 3.000 . 3.500 3.105 1.855 3.492 . 0 0 "[ . 1 . 2]" 1
404 1 78 ASN HB3 1 79 PHE H 3.000 . 3.500 2.161 1.858 3.447 . 0 0 "[ . 1 . 2]" 1
405 1 79 PHE H 1 79 PHE HA 3.000 . 3.500 2.849 2.357 2.981 . 0 0 "[ . 1 . 2]" 1
406 1 79 PHE H 1 79 PHE HB2 3.000 . 3.500 3.380 3.105 3.529 0.029 18 0 "[ . 1 . 2]" 1
407 1 79 PHE H 1 79 PHE HB3 3.000 . 3.500 3.098 2.685 3.649 0.149 18 0 "[ . 1 . 2]" 1
408 1 79 PHE H 1 80 GLU H 3.000 . 3.500 2.053 1.819 2.772 . 0 0 "[ . 1 . 2]" 1
409 1 79 PHE HA 1 80 GLU H 3.000 . 3.500 3.534 3.311 3.574 0.074 6 0 "[ . 1 . 2]" 1
410 1 79 PHE HA 1 82 VAL HB 3.000 . 3.500 2.548 2.143 3.530 0.030 3 0 "[ . 1 . 2]" 1
411 1 79 PHE HB2 1 80 GLU H 4.000 . 5.000 3.867 3.378 4.353 . 0 0 "[ . 1 . 2]" 1
412 1 79 PHE HB3 1 80 GLU H 4.000 . 5.000 2.633 2.083 3.563 . 0 0 "[ . 1 . 2]" 1
413 1 79 PHE QD 1 83 ALA MB 5.000 2.300 6.000 3.191 2.818 3.820 . 0 0 "[ . 1 . 2]" 1
414 1 79 PHE QD 1 122 ILE MG 5.000 2.300 6.000 4.641 3.871 4.928 . 0 0 "[ . 1 . 2]" 1
415 1 79 PHE QD 1 134 ILE MD 4.500 . 5.500 3.639 2.946 4.322 . 0 0 "[ . 1 . 2]" 1
416 1 79 PHE QD 1 136 LYS HD2 4.000 . 5.000 3.871 2.686 4.953 . 0 0 "[ . 1 . 2]" 1
417 1 79 PHE QD 1 136 LYS HD3 4.000 . 5.000 3.432 2.298 4.623 . 0 0 "[ . 1 . 2]" 1
418 1 79 PHE QD 1 136 LYS HE2 4.000 . 5.000 3.711 2.654 4.945 . 0 0 "[ . 1 . 2]" 1
419 1 79 PHE QE 1 83 ALA MB 4.500 2.300 5.500 3.026 2.599 3.667 . 0 0 "[ . 1 . 2]" 1
420 1 79 PHE QE 1 134 ILE MD 4.000 . 5.000 2.353 1.773 3.271 0.027 6 0 "[ . 1 . 2]" 1
421 1 79 PHE QE 1 136 LYS HD2 4.000 . 5.000 3.736 2.419 4.942 . 0 0 "[ . 1 . 2]" 1
422 1 79 PHE QE 1 136 LYS HD3 4.000 . 5.000 3.278 2.432 4.744 . 0 0 "[ . 1 . 2]" 1
423 1 79 PHE QE 1 136 LYS HE2 4.000 . 5.000 4.178 2.755 4.901 . 0 0 "[ . 1 . 2]" 1
424 1 80 GLU H 1 80 GLU HA 3.000 . 3.500 2.851 2.765 2.959 . 0 0 "[ . 1 . 2]" 1
425 1 80 GLU H 1 80 GLU HB2 3.000 . 3.500 2.437 2.033 3.533 0.033 1 0 "[ . 1 . 2]" 1
426 1 80 GLU H 1 80 GLU HB3 3.000 . 3.500 3.387 2.752 3.538 0.038 12 0 "[ . 1 . 2]" 1
427 1 80 GLU H 1 80 GLU HG2 3.000 . 3.500 2.956 1.959 3.494 . 0 0 "[ . 1 . 2]" 1
428 1 80 GLU H 1 80 GLU HG3 3.000 . 3.500 2.614 1.898 3.367 . 0 0 "[ . 1 . 2]" 1
429 1 80 GLU H 1 81 GLU H 3.000 . 3.500 3.272 2.874 3.545 0.045 15 0 "[ . 1 . 2]" 1
430 1 80 GLU HA 1 83 ALA H . . 3.500 3.532 3.434 3.576 0.076 15 0 "[ . 1 . 2]" 1
431 1 81 GLU H 1 82 VAL H 3.000 . 3.500 2.971 2.819 3.096 . 0 0 "[ . 1 . 2]" 1
432 1 81 GLU HA 1 84 THR H 3.000 . 3.500 3.515 3.329 3.581 0.081 6 0 "[ . 1 . 2]" 1
433 1 81 GLU HA 1 84 THR HB 3.000 . 3.500 3.570 3.498 3.637 0.137 2 0 "[ . 1 . 2]" 1
434 1 81 GLU HA 1 84 THR MG 4.000 . 5.000 3.566 3.223 3.999 . 0 0 "[ . 1 . 2]" 1
435 1 82 VAL H 1 83 ALA H 3.000 . 3.500 2.748 2.603 2.867 . 0 0 "[ . 1 . 2]" 1
436 1 82 VAL HA 1 83 ALA H 3.000 . 3.500 3.554 3.524 3.573 0.073 12 0 "[ . 1 . 2]" 1
437 1 82 VAL HA 1 85 ARG HB3 3.000 . 3.500 3.416 3.037 3.551 0.051 5 0 "[ . 1 . 2]" 1
438 1 82 VAL HA 1 86 VAL MG1 4.000 . 5.000 3.284 2.691 3.711 . 0 0 "[ . 1 . 2]" 1
439 1 82 VAL HB 1 83 ALA H 4.000 . 5.000 2.522 2.225 3.452 . 0 0 "[ . 1 . 2]" 1
440 1 83 ALA H 1 83 ALA HA 3.000 . 3.500 2.870 2.840 2.932 . 0 0 "[ . 1 . 2]" 1
441 1 83 ALA H 1 83 ALA MB 3.000 . 3.500 2.121 1.978 2.159 . 0 0 "[ . 1 . 2]" 1
442 1 83 ALA H 1 84 THR H 3.000 . 3.500 2.786 2.626 2.932 . 0 0 "[ . 1 . 2]" 1
443 1 83 ALA HA 1 86 VAL MG1 4.000 . 5.000 2.387 1.934 4.047 . 0 0 "[ . 1 . 2]" 1
444 1 83 ALA HA 1 87 SER HA 4.000 . 5.000 4.208 3.731 5.005 0.005 7 0 "[ . 1 . 2]" 1
445 1 83 ALA HA 1 87 SER HB2 4.000 . 5.000 4.540 3.441 5.043 0.043 12 0 "[ . 1 . 2]" 1
446 1 83 ALA HA 1 87 SER HB3 4.000 . 5.000 3.666 3.009 4.742 . 0 0 "[ . 1 . 2]" 1
447 1 83 ALA MB 1 84 THR H 3.000 . 3.500 2.230 2.027 2.996 . 0 0 "[ . 1 . 2]" 1
448 1 83 ALA MB 1 95 GLY HA2 4.000 . 5.000 2.235 1.841 2.566 . 0 0 "[ . 1 . 2]" 1
449 1 83 ALA MB 1 95 GLY HA3 4.000 . 5.000 2.009 1.774 2.343 0.026 16 0 "[ . 1 . 2]" 1
450 1 84 THR H 1 84 THR HA 3.000 . 3.500 2.783 2.725 2.965 . 0 0 "[ . 1 . 2]" 1
451 1 84 THR H 1 84 THR HB 3.000 . 3.500 3.330 3.033 3.437 . 0 0 "[ . 1 . 2]" 1
452 1 84 THR H 1 84 THR HG1 3.000 . 3.500 2.323 1.880 2.832 . 0 0 "[ . 1 . 2]" 1
453 1 84 THR H 1 85 ARG H 3.000 . 3.500 2.847 2.292 3.028 . 0 0 "[ . 1 . 2]" 1
454 1 84 THR HA 1 85 ARG H 4.000 . 5.000 3.536 3.499 3.584 . 0 0 "[ . 1 . 2]" 1
455 1 84 THR HA 1 92 ALA HA 4.000 . 5.000 2.066 1.847 2.435 . 0 0 "[ . 1 . 2]" 1
456 1 84 THR HA 1 92 ALA MB 4.000 . 5.000 3.268 2.718 3.662 . 0 0 "[ . 1 . 2]" 1
457 1 84 THR HA 1 95 GLY HA2 4.000 . 5.000 3.861 3.346 4.170 . 0 0 "[ . 1 . 2]" 1
458 1 84 THR HA 1 95 GLY HA3 4.000 . 5.000 2.841 2.285 3.153 . 0 0 "[ . 1 . 2]" 1
459 1 84 THR HB 1 85 ARG H 4.000 . 5.000 3.149 2.748 3.468 . 0 0 "[ . 1 . 2]" 1
460 1 84 THR HB 1 92 ALA MB 4.500 . 5.500 4.425 4.321 4.552 . 0 0 "[ . 1 . 2]" 1
461 1 84 THR HB 1 95 GLY HA3 4.000 . 5.000 4.896 4.392 5.042 0.042 6 0 "[ . 1 . 2]" 1
462 1 84 THR MG 1 92 ALA HA 4.000 . 5.000 3.469 3.061 3.904 . 0 0 "[ . 1 . 2]" 1
463 1 84 THR MG 1 95 GLY HA3 4.000 . 5.000 2.977 2.509 3.667 . 0 0 "[ . 1 . 2]" 1
464 1 85 ARG H 1 85 ARG HB3 3.000 . 3.500 2.578 2.215 3.106 . 0 0 "[ . 1 . 2]" 1
465 1 85 ARG H 1 85 ARG HG2 4.000 . 5.000 4.416 4.000 4.683 . 0 0 "[ . 1 . 2]" 1
466 1 85 ARG H 1 85 ARG HG3 4.000 . 5.000 4.377 3.924 4.600 . 0 0 "[ . 1 . 2]" 1
467 1 85 ARG H 1 86 VAL H 3.000 . 3.500 2.536 2.290 2.812 . 0 0 "[ . 1 . 2]" 1
468 1 85 ARG HA 1 86 VAL H 3.000 . 3.500 3.561 3.493 3.572 0.072 11 0 "[ . 1 . 2]" 1
469 1 86 VAL H 1 86 VAL HA 3.000 . 3.500 2.962 2.920 2.972 . 0 0 "[ . 1 . 2]" 1
470 1 86 VAL H 1 86 VAL HB 3.000 . 3.500 2.715 2.318 3.579 0.079 9 0 "[ . 1 . 2]" 1
471 1 86 VAL H 1 86 VAL MG1 3.000 . 3.500 2.014 1.798 2.475 0.002 1 0 "[ . 1 . 2]" 1
472 1 86 VAL H 1 87 SER H 3.000 . 3.500 3.476 2.439 3.634 0.134 13 0 "[ . 1 . 2]" 1
473 1 86 VAL HA 1 87 SER H 3.000 . 3.500 2.684 2.515 3.339 . 0 0 "[ . 1 . 2]" 1
474 1 87 SER H 1 89 CYS HA 4.500 . 5.500 5.356 4.993 5.644 0.144 7 0 "[ . 1 . 2]" 1
475 1 87 SER HA 1 88 ASP H 3.000 . 3.500 2.496 2.312 2.832 . 0 0 "[ . 1 . 2]" 1
476 1 87 SER HB2 1 92 ALA MB 4.000 . 5.000 3.351 2.614 4.030 . 0 0 "[ . 1 . 2]" 1
477 1 87 SER HB3 1 92 ALA HA 4.000 . 5.000 3.097 2.664 3.471 . 0 0 "[ . 1 . 2]" 1
478 1 87 SER HB3 1 92 ALA MB 4.000 . 5.000 3.981 3.389 4.184 . 0 0 "[ . 1 . 2]" 1
479 1 88 ASP H 1 88 ASP HA 3.000 . 3.500 2.872 2.758 2.976 . 0 0 "[ . 1 . 2]" 1
480 1 88 ASP HA 1 89 CYS H 3.000 . 3.500 2.548 2.163 3.559 0.059 3 0 "[ . 1 . 2]" 1
481 1 89 CYS H 1 89 CYS HA 3.000 . 3.500 2.456 2.347 2.852 . 0 0 "[ . 1 . 2]" 1
482 1 89 CYS H 1 89 CYS HB2 3.000 . 3.500 2.941 2.522 3.343 . 0 0 "[ . 1 . 2]" 1
483 1 89 CYS H 1 89 CYS HB3 3.000 . 3.500 3.141 2.380 3.378 . 0 0 "[ . 1 . 2]" 1
484 1 89 CYS HA 1 90 SER H 3.000 . 3.500 3.523 3.464 3.578 0.078 1 0 "[ . 1 . 2]" 1
485 1 89 CYS HA 1 92 ALA H 3.000 . 3.500 3.517 3.371 3.603 0.103 19 0 "[ . 1 . 2]" 1
486 1 89 CYS HA 1 92 ALA MB 3.000 . 3.500 2.643 2.158 2.824 . 0 0 "[ . 1 . 2]" 1
487 1 89 CYS HB3 1 90 SER H 3.000 . 3.500 1.970 1.839 2.250 . 0 0 "[ . 1 . 2]" 1
488 1 90 SER H 1 90 SER HA 3.000 . 3.500 2.793 2.771 2.856 . 0 0 "[ . 1 . 2]" 1
489 1 90 SER H 1 90 SER HB2 2.000 . 2.500 2.299 2.248 2.368 . 0 0 "[ . 1 . 2]" 1
490 1 90 SER H 1 90 SER HB3 2.000 . 2.500 2.567 2.524 2.589 0.089 13 0 "[ . 1 . 2]" 1
491 1 90 SER H 1 91 SER H 3.000 . 3.500 2.879 2.649 3.031 . 0 0 "[ . 1 . 2]" 1
492 1 90 SER HA 1 91 SER H 3.000 . 3.500 3.550 3.535 3.565 0.065 3 0 "[ . 1 . 2]" 1
493 1 90 SER HA 1 93 LYS HB2 3.000 . 3.500 3.508 3.302 3.553 0.053 19 0 "[ . 1 . 2]" 1
494 1 90 SER HA 1 93 LYS HB3 3.000 . 3.500 3.531 3.352 3.594 0.094 18 0 "[ . 1 . 2]" 1
495 1 90 SER HB2 1 91 SER H 3.000 . 3.500 3.595 3.535 3.624 0.124 2 0 "[ . 1 . 2]" 1
496 1 90 SER HB3 1 91 SER H 3.000 . 3.500 2.216 2.031 2.335 . 0 0 "[ . 1 . 2]" 1
497 1 91 SER H 1 91 SER HA 3.000 . 3.500 2.825 2.799 2.853 . 0 0 "[ . 1 . 2]" 1
498 1 91 SER H 1 92 ALA H 3.000 . 3.500 2.781 2.748 2.825 . 0 0 "[ . 1 . 2]" 1
499 1 91 SER HA 1 92 ALA H 3.000 . 3.500 3.564 3.548 3.582 0.082 1 0 "[ . 1 . 2]" 1
500 1 91 SER HA 1 94 ARG H 3.000 . 3.500 2.666 2.423 3.067 . 0 0 "[ . 1 . 2]" 1
501 1 91 SER HA 1 94 ARG HB2 3.000 . 3.500 2.674 2.083 3.548 0.048 7 0 "[ . 1 . 2]" 1
502 1 91 SER HA 1 94 ARG HB3 3.000 . 3.500 2.948 2.195 3.598 0.098 15 0 "[ . 1 . 2]" 1
503 1 91 SER HA 1 94 ARG HD2 4.000 . 5.000 4.402 3.202 5.088 0.088 9 0 "[ . 1 . 2]" 1
504 1 91 SER HA 1 94 ARG HG2 4.000 . 5.000 4.938 4.203 5.136 0.136 18 0 "[ . 1 . 2]" 1
505 1 91 SER HA 1 94 ARG HG3 4.000 . 5.000 4.854 4.101 5.145 0.145 12 0 "[ . 1 . 2]" 1
506 1 92 ALA H 1 92 ALA HA 3.000 . 3.500 2.828 2.815 2.848 . 0 0 "[ . 1 . 2]" 1
507 1 92 ALA H 1 92 ALA MB 3.000 . 3.500 2.104 1.993 2.195 . 0 0 "[ . 1 . 2]" 1
508 1 92 ALA HA 1 95 GLY HA3 4.000 . 5.000 3.841 3.188 4.203 . 0 0 "[ . 1 . 2]" 1
509 1 94 ARG H 1 95 GLY H 3.000 . 3.500 2.987 2.555 3.271 . 0 0 "[ . 1 . 2]" 1
510 1 94 ARG HA 1 95 GLY H 3.000 . 3.500 2.780 2.628 2.992 . 0 0 "[ . 1 . 2]" 1
511 1 95 GLY H 1 95 GLY HA2 3.000 . 3.500 2.858 2.786 2.913 . 0 0 "[ . 1 . 2]" 1
512 1 95 GLY H 1 95 GLY HA3 3.000 . 3.500 2.345 2.335 2.359 . 0 0 "[ . 1 . 2]" 1
513 1 95 GLY H 1 96 GLY H 2.000 . 2.500 2.622 2.493 2.714 0.214 6 0 "[ . 1 . 2]" 1
514 1 95 GLY HA3 1 96 GLY H 3.000 . 3.500 3.117 2.969 3.255 . 0 0 "[ . 1 . 2]" 1
515 1 96 GLY H 1 96 GLY HA2 3.000 . 3.500 2.862 2.819 2.933 . 0 0 "[ . 1 . 2]" 1
516 1 96 GLY H 1 96 GLY HA3 3.000 . 3.500 2.351 2.344 2.375 . 0 0 "[ . 1 . 2]" 1
517 1 96 GLY H 1 97 ASP H 3.000 . 3.500 3.554 3.494 3.592 0.092 19 0 "[ . 1 . 2]" 1
518 1 97 ASP H 1 97 ASP HA 3.000 . 3.500 2.970 2.940 2.982 . 0 0 "[ . 1 . 2]" 1
519 1 97 ASP H 1 97 ASP HB2 4.000 . 5.000 3.826 2.940 3.916 . 0 0 "[ . 1 . 2]" 1
520 1 97 ASP H 1 97 ASP HB3 4.000 . 5.000 3.173 2.932 3.861 . 0 0 "[ . 1 . 2]" 1
521 1 97 ASP HA 1 98 LEU H 3.000 . 3.500 2.478 2.251 2.668 . 0 0 "[ . 1 . 2]" 1
522 1 97 ASP HB2 1 98 LEU H 3.000 . 3.500 2.532 2.113 3.257 . 0 0 "[ . 1 . 2]" 1
523 1 98 LEU H 1 98 LEU HA 3.000 . 3.500 2.912 2.785 2.970 . 0 0 "[ . 1 . 2]" 1
524 1 98 LEU H 1 98 LEU HB2 3.000 . 3.500 2.406 2.185 3.556 0.056 5 0 "[ . 1 . 2]" 1
525 1 98 LEU H 1 98 LEU HB3 4.000 . 5.000 3.474 2.700 3.555 . 0 0 "[ . 1 . 2]" 1
526 1 98 LEU H 1 98 LEU HG 4.000 . 5.000 3.228 1.708 3.737 0.092 5 0 "[ . 1 . 2]" 1
527 1 98 LEU H 1 99 GLY H 3.000 . 3.500 2.692 2.383 3.058 . 0 0 "[ . 1 . 2]" 1
528 1 98 LEU HA 1 99 GLY H 3.000 . 3.500 3.532 3.455 3.550 0.050 13 0 "[ . 1 . 2]" 1
529 1 98 LEU HB2 1 99 GLY H 3.000 . 3.500 2.178 1.873 3.620 0.120 5 0 "[ . 1 . 2]" 1
530 1 98 LEU HB2 1 101 PHE HE1 4.000 . 5.000 2.673 1.997 4.611 . 0 0 "[ . 1 . 2]" 1
531 1 98 LEU HB3 1 101 PHE HD1 4.000 . 5.000 3.321 2.771 4.584 . 0 0 "[ . 1 . 2]" 1
532 1 98 LEU HB3 1 101 PHE HE1 4.000 . 5.000 3.511 2.906 5.125 0.125 5 0 "[ . 1 . 2]" 1
533 1 98 LEU MD1 1 101 PHE HE1 4.500 . 5.500 3.494 1.736 4.383 0.064 5 0 "[ . 1 . 2]" 1
534 1 98 LEU MD2 1 101 PHE HD1 4.000 . 5.000 3.523 2.314 3.814 . 0 0 "[ . 1 . 2]" 1
535 1 98 LEU MD2 1 101 PHE HE1 4.000 . 5.000 2.878 1.960 3.665 . 0 0 "[ . 1 . 2]" 1
536 1 98 LEU MD2 1 101 PHE HZ 4.000 . 5.000 2.971 2.348 3.956 . 0 0 "[ . 1 . 2]" 1
537 1 98 LEU MD2 1 106 MET ME 4.500 . 5.500 1.785 1.595 1.959 0.205 17 0 "[ . 1 . 2]" 1
538 1 98 LEU MD2 1 110 PHE HD1 4.500 . 5.500 4.639 4.504 4.700 . 0 0 "[ . 1 . 2]" 1
539 1 98 LEU MD2 1 110 PHE HE1 4.500 . 5.500 3.504 3.023 3.687 . 0 0 "[ . 1 . 2]" 1
540 1 98 LEU MD2 1 110 PHE HZ 4.000 . 5.000 2.554 2.065 2.898 . 0 0 "[ . 1 . 2]" 1
541 1 98 LEU HG 1 101 PHE HD1 4.500 . 5.500 5.418 4.214 5.572 0.072 6 0 "[ . 1 . 2]" 1
542 1 98 LEU HG 1 101 PHE HE1 4.500 . 5.500 4.887 3.651 5.412 . 0 0 "[ . 1 . 2]" 1
543 1 99 GLY H 1 99 GLY HA2 3.000 . 3.500 2.569 2.388 2.688 . 0 0 "[ . 1 . 2]" 1
544 1 99 GLY H 1 99 GLY HA3 3.000 . 3.500 2.968 2.933 2.985 . 0 0 "[ . 1 . 2]" 1
545 1 99 GLY H 1 100 SER H 3.000 . 3.500 3.613 3.555 3.720 0.220 5 0 "[ . 1 . 2]" 1
546 1 99 GLY HA2 1 100 SER HB3 4.000 . 5.000 4.257 4.213 4.341 . 0 0 "[ . 1 . 2]" 1
547 1 99 GLY HA3 1 100 SER H 3.000 . 3.500 2.316 2.249 2.447 . 0 0 "[ . 1 . 2]" 1
548 1 99 GLY HA3 1 100 SER HB3 4.000 . 5.000 3.897 3.774 4.021 . 0 0 "[ . 1 . 2]" 1
549 1 100 SER H 1 100 SER HA 3.000 . 3.500 2.956 2.941 2.965 . 0 0 "[ . 1 . 2]" 1
550 1 100 SER HA 1 100 SER HB3 3.000 . 3.500 2.644 2.578 2.690 . 0 0 "[ . 1 . 2]" 1
551 1 100 SER HA 1 101 PHE H 3.000 . 3.500 2.223 2.167 2.358 . 0 0 "[ . 1 . 2]" 1
552 1 101 PHE H 1 101 PHE HA 3.000 . 3.500 2.927 2.889 2.968 . 0 0 "[ . 1 . 2]" 1
553 1 101 PHE HA 1 102 GLY H 3.000 . 3.500 2.791 2.257 3.180 . 0 0 "[ . 1 . 2]" 1
554 1 101 PHE HA 1 105 GLN HB2 4.000 . 5.000 4.698 4.019 5.080 0.080 12 0 "[ . 1 . 2]" 1
555 1 101 PHE HB2 1 105 GLN HB2 4.000 . 5.000 2.335 1.822 2.630 . 0 0 "[ . 1 . 2]" 1
556 1 101 PHE HB2 1 105 GLN HB3 4.000 . 5.000 3.109 1.978 3.898 . 0 0 "[ . 1 . 2]" 1
557 1 101 PHE HB2 1 106 MET ME 4.000 . 5.000 3.060 2.423 3.446 . 0 0 "[ . 1 . 2]" 1
558 1 101 PHE HB3 1 105 GLN HB2 4.000 . 5.000 3.558 2.986 3.907 . 0 0 "[ . 1 . 2]" 1
559 1 101 PHE HB3 1 105 GLN HB3 4.000 . 5.000 3.695 2.949 4.526 . 0 0 "[ . 1 . 2]" 1
560 1 101 PHE HB3 1 106 MET ME 4.500 . 5.500 3.302 2.539 3.982 . 0 0 "[ . 1 . 2]" 1
561 1 101 PHE HD2 1 106 MET HB2 4.000 . 5.000 2.912 2.534 3.894 . 0 0 "[ . 1 . 2]" 1
562 1 101 PHE HD2 1 106 MET ME 4.000 . 5.000 2.520 2.011 3.305 . 0 0 "[ . 1 . 2]" 1
563 1 101 PHE HD2 1 110 PHE HD1 4.500 . 5.500 4.829 4.237 5.265 . 0 0 "[ . 1 . 2]" 1
564 1 101 PHE HD2 1 110 PHE HE1 4.500 . 5.500 4.765 4.238 5.348 . 0 0 "[ . 1 . 2]" 1
565 1 101 PHE HE1 1 110 PHE HE1 4.500 . 5.500 4.178 3.580 4.335 . 0 0 "[ . 1 . 2]" 1
566 1 101 PHE HE1 1 110 PHE HZ 4.500 . 5.500 4.281 3.888 4.526 . 0 0 "[ . 1 . 2]" 1
567 1 101 PHE HE2 1 105 GLN HB2 4.500 . 5.500 4.778 4.252 5.539 0.039 4 0 "[ . 1 . 2]" 1
568 1 101 PHE HE2 1 105 GLN HB3 4.500 . 5.500 5.511 5.237 5.600 0.100 11 0 "[ . 1 . 2]" 1
569 1 101 PHE HE2 1 106 MET HB2 4.000 . 5.000 3.103 2.249 4.092 . 0 0 "[ . 1 . 2]" 1
570 1 101 PHE HE2 1 106 MET ME 4.000 . 5.000 3.054 2.531 3.989 . 0 0 "[ . 1 . 2]" 1
571 1 101 PHE HE2 1 110 PHE HD1 4.000 . 5.000 2.804 2.493 3.030 . 0 0 "[ . 1 . 2]" 1
572 1 101 PHE HE2 1 110 PHE HE1 4.000 . 5.000 2.441 1.854 2.966 . 0 0 "[ . 1 . 2]" 1
573 1 101 PHE HE2 1 110 PHE HZ 4.000 . 5.000 4.500 3.742 5.082 0.082 5 0 "[ . 1 . 2]" 1
574 1 101 PHE HZ 1 110 PHE HD1 4.500 . 5.500 3.985 3.656 4.269 . 0 0 "[ . 1 . 2]" 1
575 1 101 PHE HZ 1 110 PHE HZ 4.000 . 5.000 2.884 2.100 3.558 . 0 0 "[ . 1 . 2]" 1
576 1 102 GLY H 1 102 GLY HA2 3.000 . 3.500 2.741 2.552 2.917 . 0 0 "[ . 1 . 2]" 1
577 1 102 GLY H 1 102 GLY HA3 3.000 . 3.500 2.808 2.346 2.989 . 0 0 "[ . 1 . 2]" 1
578 1 102 GLY H 1 103 ARG H 3.000 . 3.500 3.334 2.185 3.559 0.059 4 0 "[ . 1 . 2]" 1
579 1 102 GLY HA2 1 103 ARG H 3.000 . 3.500 3.316 2.172 3.576 0.076 14 0 "[ . 1 . 2]" 1
580 1 102 GLY HA3 1 103 ARG H 3.000 . 3.500 2.550 2.189 3.472 . 0 0 "[ . 1 . 2]" 1
581 1 102 GLY HA3 1 115 TYR QE 4.000 . 5.000 3.705 2.493 4.801 . 0 0 "[ . 1 . 2]" 1
582 1 103 ARG HA 1 104 GLY H 3.000 . 3.500 2.509 2.209 3.510 0.010 17 0 "[ . 1 . 2]" 1
583 1 103 ARG HD2 1 115 TYR QE 5.000 2.300 6.000 4.273 3.254 5.212 . 0 0 "[ . 1 . 2]" 1
584 1 103 ARG HD3 1 115 TYR QE 5.000 2.300 6.000 4.572 3.591 5.247 . 0 0 "[ . 1 . 2]" 1
585 1 104 GLY HA2 1 105 GLN H 3.000 . 3.500 3.133 2.501 3.571 0.071 13 0 "[ . 1 . 2]" 1
586 1 104 GLY HA3 1 105 GLN H 3.000 . 3.500 2.764 2.263 3.416 . 0 0 "[ . 1 . 2]" 1
587 1 105 GLN H 1 106 MET H 4.000 . 5.000 3.888 2.306 4.657 . 0 0 "[ . 1 . 2]" 1
588 1 105 GLN HB2 1 106 MET H 3.000 . 3.500 2.522 1.822 3.569 0.069 15 0 "[ . 1 . 2]" 1
589 1 105 GLN HB2 1 106 MET HB2 4.000 . 5.000 3.238 2.954 3.812 . 0 0 "[ . 1 . 2]" 1
590 1 105 GLN HB2 1 106 MET HB3 4.000 . 5.000 4.851 4.643 5.103 0.103 8 0 "[ . 1 . 2]" 1
591 1 105 GLN HB2 1 106 MET ME 4.000 . 5.000 2.273 1.726 3.606 0.074 3 0 "[ . 1 . 2]" 1
592 1 105 GLN HB3 1 106 MET H 3.000 . 3.500 2.591 1.977 3.589 0.089 19 0 "[ . 1 . 2]" 1
593 1 105 GLN HG2 1 106 MET ME 4.000 . 5.000 4.058 3.207 4.267 . 0 0 "[ . 1 . 2]" 1
594 1 105 GLN HG3 1 106 MET H 4.000 . 5.000 4.295 3.615 5.039 0.039 10 0 "[ . 1 . 2]" 1
595 1 105 GLN HG3 1 106 MET HB2 4.000 . 5.000 5.104 4.530 5.243 0.243 17 0 "[ . 1 . 2]" 1
596 1 105 GLN HG3 1 106 MET ME 4.000 . 5.000 3.480 3.071 4.028 . 0 0 "[ . 1 . 2]" 1
597 1 106 MET HA 1 107 GLN H 3.000 . 3.500 2.725 2.216 3.471 . 0 0 "[ . 1 . 2]" 1
598 1 106 MET HA 1 110 PHE HD1 4.500 . 5.500 5.204 4.465 5.577 0.077 19 0 "[ . 1 . 2]" 1
599 1 106 MET HA 1 110 PHE HD2 4.500 . 5.500 5.499 5.053 5.659 0.159 8 0 "[ . 1 . 2]" 1
600 1 106 MET HB2 1 107 GLN H 4.000 . 5.000 4.007 2.361 4.624 . 0 0 "[ . 1 . 2]" 1
601 1 106 MET HB2 1 110 PHE HD1 5.000 2.300 6.000 3.642 2.993 4.364 . 0 0 "[ . 1 . 2]" 1
602 1 106 MET HB2 1 110 PHE HE1 5.000 2.300 6.000 4.675 3.953 5.419 . 0 0 "[ . 1 . 2]" 1
603 1 106 MET HB3 1 107 GLN H 4.000 . 5.000 3.259 1.845 4.282 . 0 0 "[ . 1 . 2]" 1
604 1 106 MET HB3 1 110 PHE HD1 4.500 . 5.500 2.913 2.136 4.058 . 0 0 "[ . 1 . 2]" 1
605 1 106 MET ME 1 110 PHE HD1 4.500 . 5.500 4.272 3.852 4.610 . 0 0 "[ . 1 . 2]" 1
606 1 106 MET ME 1 110 PHE HE1 4.500 . 5.500 4.082 3.502 4.574 . 0 0 "[ . 1 . 2]" 1
607 1 106 MET ME 1 110 PHE HZ 5.000 2.300 6.000 4.502 3.873 4.893 . 0 0 "[ . 1 . 2]" 1
608 1 107 GLN HA 1 108 LYS H 3.000 . 3.500 3.064 2.827 3.572 0.072 11 0 "[ . 1 . 2]" 1
609 1 107 GLN HB2 1 108 LYS H 3.000 . 3.500 3.102 2.310 3.580 0.080 13 0 "[ . 1 . 2]" 1
610 1 107 GLN HB3 1 108 LYS H 3.000 . 3.500 1.957 1.800 2.708 . 0 0 "[ . 1 . 2]" 1
611 1 107 GLN HG2 1 109 PRO HD2 4.000 . 5.000 4.160 2.574 4.716 . 0 0 "[ . 1 . 2]" 1
612 1 107 GLN HG2 1 109 PRO HD3 4.500 . 5.500 4.830 3.143 5.523 0.023 14 0 "[ . 1 . 2]" 1
613 1 108 LYS H 1 109 PRO HD2 3.000 . 3.500 2.064 1.804 2.306 . 0 0 "[ . 1 . 2]" 1
614 1 108 LYS H 1 109 PRO HD3 3.000 . 3.500 2.409 1.837 3.359 . 0 0 "[ . 1 . 2]" 1
615 1 108 LYS HA 1 112 GLU H 4.500 . 5.500 3.847 3.247 4.424 . 0 0 "[ . 1 . 2]" 1
616 1 109 PRO HA 1 112 GLU H 4.000 . 5.000 4.187 3.758 4.563 . 0 0 "[ . 1 . 2]" 1
617 1 109 PRO HA 1 112 GLU HB3 4.000 . 5.000 3.685 2.656 4.884 . 0 0 "[ . 1 . 2]" 1
618 1 109 PRO HA 1 112 GLU HG2 4.000 . 5.000 3.888 2.501 5.065 0.065 4 0 "[ . 1 . 2]" 1
619 1 109 PRO HA 1 112 GLU HG3 4.000 . 5.000 4.481 3.331 5.049 0.049 1 0 "[ . 1 . 2]" 1
620 1 109 PRO HA 1 113 ALA H 4.500 . 5.500 4.709 4.476 4.984 . 0 0 "[ . 1 . 2]" 1
621 1 109 PRO HA 1 128 THR MG 4.500 . 5.500 4.306 3.896 4.628 . 0 0 "[ . 1 . 2]" 1
622 1 109 PRO HB2 1 128 THR MG 4.000 . 5.000 2.080 1.765 2.593 0.035 6 0 "[ . 1 . 2]" 1
623 1 109 PRO HB3 1 128 THR MG 4.000 . 5.000 3.307 2.855 3.711 . 0 0 "[ . 1 . 2]" 1
624 1 109 PRO HG2 1 128 THR MG 4.000 . 5.000 2.310 1.733 2.971 0.067 11 0 "[ . 1 . 2]" 1
625 1 109 PRO HG3 1 128 THR HA 4.000 . 5.000 4.079 3.027 4.869 . 0 0 "[ . 1 . 2]" 1
626 1 109 PRO HG3 1 128 THR HB 4.000 . 5.000 3.990 2.689 5.024 0.024 10 0 "[ . 1 . 2]" 1
627 1 109 PRO HG3 1 128 THR MG 4.000 . 5.000 3.003 2.114 3.781 . 0 0 "[ . 1 . 2]" 1
628 1 110 PHE H 1 111 GLU H 3.000 . 3.500 3.008 2.779 3.291 . 0 0 "[ . 1 . 2]" 1
629 1 110 PHE HA 1 111 GLU H 3.000 . 3.500 3.571 3.558 3.582 0.082 4 0 "[ . 1 . 2]" 1
630 1 110 PHE HA 1 113 ALA H 3.000 . 3.500 3.446 3.329 3.537 0.037 14 0 "[ . 1 . 2]" 1
631 1 110 PHE HA 1 113 ALA MB 3.000 . 3.500 2.259 2.070 2.449 . 0 0 "[ . 1 . 2]" 1
632 1 110 PHE HA 1 128 THR MG 4.500 . 5.500 3.201 2.534 3.766 . 0 0 "[ . 1 . 2]" 1
633 1 110 PHE HB3 1 111 GLU H 3.000 . 3.500 2.136 2.003 2.252 . 0 0 "[ . 1 . 2]" 1
634 1 110 PHE HB3 1 128 THR MG 4.000 . 5.000 3.832 3.434 4.172 . 0 0 "[ . 1 . 2]" 1
635 1 110 PHE HD1 1 111 GLU HA 3.000 . 3.500 2.221 2.189 2.273 . 0 0 "[ . 1 . 2]" 1
636 1 110 PHE HD1 1 113 ALA MB 4.000 . 5.000 3.832 3.770 3.948 . 0 0 "[ . 1 . 2]" 1
637 1 110 PHE HD1 1 135 ILE MD 4.500 . 5.500 4.132 3.725 4.513 . 0 0 "[ . 1 . 2]" 1
638 1 110 PHE HD2 1 135 ILE MD 4.000 . 5.000 2.792 2.499 3.331 . 0 0 "[ . 1 . 2]" 1
639 1 110 PHE HD2 1 135 ILE HG12 4.000 . 5.000 4.282 3.600 5.063 0.063 2 0 "[ . 1 . 2]" 1
640 1 110 PHE HD2 1 135 ILE HG13 4.000 . 5.000 4.361 3.751 4.908 . 0 0 "[ . 1 . 2]" 1
641 1 110 PHE HE1 1 111 GLU HA 3.000 . 3.500 3.574 3.424 3.631 0.131 14 0 "[ . 1 . 2]" 1
642 1 110 PHE HE1 1 113 ALA MB 4.500 . 5.500 4.431 4.370 4.536 . 0 0 "[ . 1 . 2]" 1
643 1 110 PHE HE1 1 135 ILE MD 4.500 . 5.500 3.950 3.519 4.388 . 0 0 "[ . 1 . 2]" 1
644 1 110 PHE HE1 1 135 ILE MG 4.500 . 5.500 3.842 3.306 4.269 . 0 0 "[ . 1 . 2]" 1
645 1 110 PHE HE2 1 135 ILE MD 4.000 . 5.000 2.618 1.942 3.365 . 0 0 "[ . 1 . 2]" 1
646 1 110 PHE HE2 1 135 ILE MG 4.500 . 5.500 4.046 3.108 4.501 . 0 0 "[ . 1 . 2]" 1
647 1 110 PHE HZ 1 135 ILE MD 4.500 . 5.500 3.333 2.435 3.908 . 0 0 "[ . 1 . 2]" 1
648 1 110 PHE HZ 1 135 ILE MG 4.500 . 5.500 2.950 2.189 3.453 . 0 0 "[ . 1 . 2]" 1
649 1 111 GLU H 1 112 GLU H 3.000 . 3.500 3.225 3.082 3.389 . 0 0 "[ . 1 . 2]" 1
650 1 111 GLU HA 1 112 GLU H 3.000 . 3.500 3.579 3.566 3.589 0.089 7 0 "[ . 1 . 2]" 1
651 1 111 GLU HA 1 114 THR H 3.000 . 3.500 3.508 3.282 3.602 0.102 17 0 "[ . 1 . 2]" 1
652 1 111 GLU HA 1 114 THR HB 3.000 . 3.500 3.399 3.160 3.571 0.071 2 0 "[ . 1 . 2]" 1
653 1 111 GLU HA 1 115 TYR QD 4.000 . 5.000 2.755 2.529 3.459 . 0 0 "[ . 1 . 2]" 1
654 1 111 GLU HA 1 115 TYR QE 4.000 . 5.000 3.758 3.248 4.056 . 0 0 "[ . 1 . 2]" 1
655 1 111 GLU QB 1 115 TYR QD 4.500 . 5.500 3.136 1.931 3.837 . 0 0 "[ . 1 . 2]" 1
656 1 111 GLU QB 1 115 TYR QE 4.000 . 5.000 3.710 2.477 4.209 . 0 0 "[ . 1 . 2]" 1
657 1 111 GLU HG2 1 115 TYR QD 4.500 . 5.500 2.551 1.856 4.614 . 0 0 "[ . 1 . 2]" 1
658 1 111 GLU HG2 1 115 TYR QE 4.000 . 5.000 2.562 1.831 4.892 . 0 0 "[ . 1 . 2]" 1
659 1 111 GLU HG3 1 115 TYR QD 4.000 . 5.000 3.420 1.924 4.993 . 0 0 "[ . 1 . 2]" 1
660 1 111 GLU HG3 1 115 TYR QE 4.500 . 5.500 3.028 1.844 5.405 . 0 0 "[ . 1 . 2]" 1
661 1 112 GLU H 1 113 ALA H 3.000 . 3.500 2.781 2.665 2.871 . 0 0 "[ . 1 . 2]" 1
662 1 112 GLU HA 1 113 ALA H 4.000 . 5.000 3.488 3.456 3.515 . 0 0 "[ . 1 . 2]" 1
663 1 112 GLU HA 1 115 TYR H 3.000 . 3.500 3.523 3.398 3.564 0.064 5 0 "[ . 1 . 2]" 1
664 1 112 GLU HA 1 115 TYR HB2 3.000 . 3.500 2.227 2.101 2.350 . 0 0 "[ . 1 . 2]" 1
665 1 112 GLU HA 1 115 TYR HB3 3.000 . 3.500 3.198 3.005 3.418 . 0 0 "[ . 1 . 2]" 1
666 1 112 GLU HA 1 115 TYR QD 4.000 . 5.000 3.602 2.851 3.719 . 0 0 "[ . 1 . 2]" 1
667 1 112 GLU HA 1 115 TYR QE 5.000 2.300 6.000 5.651 5.075 5.760 . 0 0 "[ . 1 . 2]" 1
668 1 112 GLU HB2 1 115 TYR QD 5.000 2.300 6.000 5.529 5.131 5.818 . 0 0 "[ . 1 . 2]" 1
669 1 113 ALA H 1 114 THR H 3.000 . 3.500 2.743 2.610 2.856 . 0 0 "[ . 1 . 2]" 1
670 1 113 ALA HA 1 114 THR H 3.000 . 3.500 3.570 3.538 3.583 0.083 17 0 "[ . 1 . 2]" 1
671 1 113 ALA HA 1 116 ALA H 3.000 . 3.500 3.526 3.423 3.578 0.078 7 0 "[ . 1 . 2]" 1
672 1 113 ALA HA 1 116 ALA MB 3.000 . 3.500 2.644 2.574 2.772 . 0 0 "[ . 1 . 2]" 1
673 1 113 ALA MB 1 114 THR H 3.000 . 3.500 2.072 1.972 2.202 . 0 0 "[ . 1 . 2]" 1
674 1 113 ALA MB 1 126 VAL MG1 4.000 . 5.000 2.640 2.209 3.102 . 0 0 "[ . 1 . 2]" 1
675 1 114 THR H 1 115 TYR H 2.000 . 2.500 2.530 2.482 2.561 0.061 2 0 "[ . 1 . 2]" 1
676 1 114 THR HA 1 115 TYR H 3.000 . 3.500 3.504 3.468 3.530 0.030 11 0 "[ . 1 . 2]" 1
677 1 114 THR HA 1 117 LEU H 3.000 . 3.500 3.465 3.208 3.598 0.098 7 0 "[ . 1 . 2]" 1
678 1 114 THR HA 1 135 ILE MD 4.500 . 5.500 4.394 4.129 4.482 . 0 0 "[ . 1 . 2]" 1
679 1 115 TYR H 1 116 ALA H 2.000 . 2.500 2.410 2.325 2.500 . 0 0 "[ . 1 . 2]" 1
680 1 115 TYR HA 1 116 ALA H 3.000 . 3.500 3.489 3.459 3.512 0.012 19 0 "[ . 1 . 2]" 1
681 1 115 TYR HB2 1 116 ALA H 3.000 . 3.500 3.029 2.881 3.115 . 0 0 "[ . 1 . 2]" 1
682 1 115 TYR HB3 1 116 ALA H 3.000 . 3.500 3.528 3.451 3.573 0.073 7 0 "[ . 1 . 2]" 1
683 1 116 ALA H 1 117 LEU H 2.000 . 2.500 2.429 2.265 2.561 0.061 7 0 "[ . 1 . 2]" 1
684 1 117 LEU H 1 118 LYS H 4.000 . 5.000 4.556 4.077 4.709 . 0 0 "[ . 1 . 2]" 1
685 1 117 LEU HA 1 121 ASP HB2 4.000 . 5.000 4.227 3.483 4.972 . 0 0 "[ . 1 . 2]" 1
686 1 117 LEU HB2 1 121 ASP HB2 4.000 . 5.000 4.795 4.582 5.035 0.035 5 0 "[ . 1 . 2]" 1
687 1 117 LEU HB3 1 121 ASP HB2 4.000 . 5.000 4.838 4.445 5.052 0.052 1 0 "[ . 1 . 2]" 1
688 1 117 LEU MD1 1 121 ASP HA 4.500 . 5.500 4.107 3.812 4.403 . 0 0 "[ . 1 . 2]" 1
689 1 117 LEU MD1 1 121 ASP HB2 4.000 . 5.000 2.286 1.778 3.068 0.022 14 0 "[ . 1 . 2]" 1
690 1 117 LEU MD1 1 121 ASP HB3 4.000 . 5.000 2.120 1.701 2.789 0.099 20 0 "[ . 1 . 2]" 1
691 1 117 LEU MD1 1 122 ILE HA 4.000 . 5.000 3.858 3.525 4.065 . 0 0 "[ . 1 . 2]" 1
692 1 117 LEU MD1 1 123 SER HA 4.000 . 5.000 1.971 1.759 2.481 0.041 8 0 "[ . 1 . 2]" 1
693 1 117 LEU MD1 1 123 SER HB2 4.500 . 5.500 3.285 1.853 4.308 . 0 0 "[ . 1 . 2]" 1
694 1 117 LEU MD1 1 123 SER HB3 4.500 . 5.500 3.652 2.600 4.428 . 0 0 "[ . 1 . 2]" 1
695 1 117 LEU MD2 1 121 ASP HA 4.500 . 5.500 4.161 3.796 4.481 . 0 0 "[ . 1 . 2]" 1
696 1 117 LEU MD2 1 121 ASP HB2 4.500 . 5.500 2.513 1.858 3.208 . 0 0 "[ . 1 . 2]" 1
697 1 117 LEU MD2 1 121 ASP HB3 4.500 . 5.500 3.255 2.626 3.734 . 0 0 "[ . 1 . 2]" 1
698 1 117 LEU MD2 1 123 SER HA 4.500 . 5.500 3.509 2.861 4.257 . 0 0 "[ . 1 . 2]" 1
699 1 117 LEU MD2 1 123 SER HB2 4.500 . 5.500 3.857 2.833 4.436 . 0 0 "[ . 1 . 2]" 1
700 1 117 LEU MD2 1 123 SER HB3 4.500 . 5.500 3.972 2.630 4.438 . 0 0 "[ . 1 . 2]" 1
701 1 117 LEU HG 1 121 ASP HB2 4.000 . 5.000 2.407 1.880 2.849 . 0 0 "[ . 1 . 2]" 1
702 1 119 VAL HA 1 120 GLY H 3.000 . 3.500 2.870 2.218 3.569 0.069 8 0 "[ . 1 . 2]" 1
703 1 119 VAL MG1 1 120 GLY H 4.500 . 5.500 3.267 1.996 4.137 . 0 0 "[ . 1 . 2]" 1
704 1 119 VAL MG1 1 138 THR HA 4.500 . 5.500 4.342 3.699 4.573 . 0 0 "[ . 1 . 2]" 1
705 1 119 VAL MG1 1 138 THR HB 3.000 . 3.500 2.322 1.842 2.686 . 0 0 "[ . 1 . 2]" 1
706 1 119 VAL MG1 1 139 ALA HA 4.000 . 5.000 2.658 1.821 4.017 . 0 0 "[ . 1 . 2]" 1
707 1 119 VAL MG1 1 139 ALA MB 4.500 . 5.500 2.580 1.597 3.723 0.203 12 0 "[ . 1 . 2]" 1
708 1 119 VAL MG2 1 120 GLY H 4.500 . 5.500 4.091 3.064 4.338 . 0 0 "[ . 1 . 2]" 1
709 1 119 VAL MG2 1 138 THR HA 4.000 . 5.000 3.772 3.340 4.048 . 0 0 "[ . 1 . 2]" 1
710 1 119 VAL MG2 1 138 THR HB 3.000 . 3.500 2.071 1.729 2.824 0.071 12 0 "[ . 1 . 2]" 1
711 1 119 VAL MG2 1 139 ALA HA 4.000 . 5.000 3.727 1.723 4.128 0.077 7 0 "[ . 1 . 2]" 1
712 1 119 VAL MG2 1 139 ALA MB 4.500 . 5.500 3.150 1.717 3.613 0.083 4 0 "[ . 1 . 2]" 1
713 1 120 GLY H 1 121 ASP H 3.000 . 3.500 2.380 1.837 3.607 0.107 12 0 "[ . 1 . 2]" 1
714 1 120 GLY HA2 1 121 ASP H 3.000 . 3.500 3.210 2.466 3.556 0.056 1 0 "[ . 1 . 2]" 1
715 1 120 GLY HA3 1 121 ASP H 3.000 . 3.500 3.167 2.161 3.571 0.071 8 0 "[ . 1 . 2]" 1
716 1 121 ASP HA 1 122 ILE H 3.000 . 3.500 3.230 2.597 3.540 0.040 5 0 "[ . 1 . 2]" 1
717 1 121 ASP HB2 1 122 ILE H 3.000 . 3.500 3.096 2.627 3.511 0.011 9 0 "[ . 1 . 2]" 1
718 1 121 ASP HB3 1 122 ILE H 3.000 . 3.500 2.869 1.804 3.569 0.069 7 0 "[ . 1 . 2]" 1
719 1 122 ILE HA 1 123 SER H 3.000 . 3.500 2.810 2.179 3.551 0.051 3 0 "[ . 1 . 2]" 1
720 1 122 ILE HB 1 123 SER H 4.000 . 5.000 4.035 1.870 4.448 . 0 0 "[ . 1 . 2]" 1
721 1 122 ILE HG12 1 123 SER H 4.000 . 5.000 4.876 4.209 5.028 0.028 9 0 "[ . 1 . 2]" 1
722 1 122 ILE HG13 1 123 SER H 4.000 . 5.000 4.797 4.049 5.074 0.074 16 0 "[ . 1 . 2]" 1
723 1 123 SER HA 1 124 ASP H 3.000 . 3.500 2.606 2.219 3.569 0.069 6 0 "[ . 1 . 2]" 1
724 1 123 SER HA 1 135 ILE HB 4.000 . 5.000 4.558 4.070 5.028 0.028 14 0 "[ . 1 . 2]" 1
725 1 123 SER HB2 1 124 ASP H 4.000 . 5.000 4.002 2.747 4.688 . 0 0 "[ . 1 . 2]" 1
726 1 123 SER HB2 1 135 ILE MG 4.000 . 5.000 3.594 2.119 4.249 . 0 0 "[ . 1 . 2]" 1
727 1 123 SER HB3 1 124 ASP H 4.000 . 5.000 3.944 2.321 4.680 . 0 0 "[ . 1 . 2]" 1
728 1 123 SER HB3 1 135 ILE HA 4.000 . 5.000 4.514 4.122 4.999 . 0 0 "[ . 1 . 2]" 1
729 1 123 SER HB3 1 135 ILE HB 4.500 . 5.500 2.523 1.965 3.053 . 0 0 "[ . 1 . 2]" 1
730 1 123 SER HB3 1 135 ILE MD 4.000 . 5.000 3.565 2.617 4.265 . 0 0 "[ . 1 . 2]" 1
731 1 123 SER HB3 1 135 ILE MG 4.000 . 5.000 3.608 2.635 4.118 . 0 0 "[ . 1 . 2]" 1
732 1 124 ASP HA 1 125 ILE H 3.000 . 3.500 2.866 2.199 3.582 0.082 10 0 "[ . 1 . 2]" 1
733 1 124 ASP HB2 1 125 ILE H 4.000 . 5.000 3.194 1.838 4.564 . 0 0 "[ . 1 . 2]" 1
734 1 124 ASP HB3 1 125 ILE H 4.000 . 5.000 3.354 1.937 4.620 . 0 0 "[ . 1 . 2]" 1
735 1 125 ILE HA 1 126 VAL H 3.000 . 3.500 2.293 2.201 2.637 . 0 0 "[ . 1 . 2]" 1
736 1 126 VAL HA 1 127 ASP H 3.000 . 3.500 2.490 2.203 2.800 . 0 0 "[ . 1 . 2]" 1
737 1 126 VAL HA 1 135 ILE MD 4.500 . 5.500 4.514 4.220 4.637 . 0 0 "[ . 1 . 2]" 1
738 1 126 VAL HB 1 133 HIS HA 4.500 . 5.500 4.060 3.595 4.549 . 0 0 "[ . 1 . 2]" 1
739 1 126 VAL HB 1 133 HIS HB2 4.000 . 5.000 2.378 1.843 3.025 . 0 0 "[ . 1 . 2]" 1
740 1 126 VAL HB 1 133 HIS HB3 4.000 . 5.000 3.699 2.552 4.495 . 0 0 "[ . 1 . 2]" 1
741 1 126 VAL HB 1 135 ILE MD 4.500 . 5.500 3.262 2.995 3.681 . 0 0 "[ . 1 . 2]" 1
742 1 126 VAL MG1 1 133 HIS HB2 3.000 . 3.500 2.569 2.002 2.835 . 0 0 "[ . 1 . 2]" 1
743 1 126 VAL MG1 1 134 ILE HA 4.500 . 5.500 4.421 4.134 4.593 . 0 0 "[ . 1 . 2]" 1
744 1 126 VAL MG1 1 135 ILE HB 4.500 . 5.500 4.381 4.080 4.472 . 0 0 "[ . 1 . 2]" 1
745 1 126 VAL MG1 1 135 ILE MD 4.500 . 5.500 1.976 1.744 2.167 0.056 2 0 "[ . 1 . 2]" 1
746 1 126 VAL MG2 1 133 HIS HB2 4.000 . 5.000 3.631 2.966 4.177 . 0 0 "[ . 1 . 2]" 1
747 1 126 VAL MG2 1 134 ILE HA 4.000 . 5.000 2.302 1.859 3.179 . 0 0 "[ . 1 . 2]" 1
748 1 126 VAL MG2 1 135 ILE HB 4.000 . 5.000 3.286 3.034 3.933 . 0 0 "[ . 1 . 2]" 1
749 1 126 VAL MG2 1 135 ILE MD 4.000 . 5.000 1.983 1.797 2.620 0.003 6 0 "[ . 1 . 2]" 1
750 1 127 ASP HA 1 128 THR H 3.000 . 3.500 2.241 2.198 2.309 . 0 0 "[ . 1 . 2]" 1
751 1 127 ASP HA 1 132 VAL HA 3.000 . 3.500 1.784 1.729 1.853 0.071 16 0 "[ . 1 . 2]" 1
752 1 127 ASP HA 1 132 VAL HB 4.000 . 5.000 3.724 2.890 4.594 . 0 0 "[ . 1 . 2]" 1
753 1 127 ASP HA 1 132 VAL MG1 3.000 . 3.500 2.214 1.855 2.702 . 0 0 "[ . 1 . 2]" 1
754 1 127 ASP HA 1 132 VAL MG2 4.000 . 5.000 4.184 4.024 4.315 . 0 0 "[ . 1 . 2]" 1
755 1 127 ASP HA 1 133 HIS HD2 4.000 . 5.000 3.642 3.045 4.663 . 0 0 "[ . 1 . 2]" 1
756 1 127 ASP HB2 1 128 THR H 4.000 . 5.000 3.955 3.658 4.332 . 0 0 "[ . 1 . 2]" 1
757 1 127 ASP HB2 1 132 VAL HA 4.000 . 5.000 4.277 3.923 4.683 . 0 0 "[ . 1 . 2]" 1
758 1 127 ASP HB2 1 132 VAL MG1 4.000 . 5.000 3.088 2.579 4.065 . 0 0 "[ . 1 . 2]" 1
759 1 127 ASP HB3 1 128 THR H 4.000 . 5.000 4.331 3.666 4.561 . 0 0 "[ . 1 . 2]" 1
760 1 127 ASP HB3 1 132 VAL HA 4.000 . 5.000 3.551 3.021 3.938 . 0 0 "[ . 1 . 2]" 1
761 1 127 ASP HB3 1 132 VAL MG1 4.000 . 5.000 2.065 1.830 2.914 . 0 0 "[ . 1 . 2]" 1
762 1 127 ASP HB3 1 132 VAL MG2 4.500 . 5.500 4.623 4.214 4.704 . 0 0 "[ . 1 . 2]" 1
763 1 128 THR H 1 131 GLY H 3.000 . 3.500 3.448 2.673 3.664 0.164 5 0 "[ . 1 . 2]" 1
764 1 128 THR H 1 132 VAL HA 3.000 . 3.500 2.914 2.519 3.481 . 0 0 "[ . 1 . 2]" 1
765 1 128 THR HB 1 129 ASP H 3.000 . 3.500 2.380 1.842 3.534 0.034 12 0 "[ . 1 . 2]" 1
766 1 128 THR MG 1 133 HIS HD2 4.000 . 5.000 3.846 3.158 4.269 . 0 0 "[ . 1 . 2]" 1
767 1 130 SER HA 1 131 GLY H 3.000 . 3.500 3.570 3.505 3.591 0.091 20 0 "[ . 1 . 2]" 1
768 1 130 SER HB3 1 131 GLY H 3.000 . 3.500 3.291 2.440 3.546 0.046 10 0 "[ . 1 . 2]" 1
769 1 131 GLY HA2 1 132 VAL H 3.000 . 3.500 3.081 2.711 3.454 . 0 0 "[ . 1 . 2]" 1
770 1 131 GLY HA3 1 132 VAL H 3.000 . 3.500 2.279 2.182 2.518 . 0 0 "[ . 1 . 2]" 1
771 1 132 VAL HA 1 133 HIS H 3.000 . 3.500 2.203 2.146 2.331 . 0 0 "[ . 1 . 2]" 1
772 1 132 VAL HA 1 133 HIS HD2 4.000 . 5.000 2.895 2.146 4.755 . 0 0 "[ . 1 . 2]" 1
773 1 132 VAL HB 1 133 HIS H 3.000 . 3.500 3.386 2.858 3.567 0.067 14 0 "[ . 1 . 2]" 1
774 1 133 HIS HB2 1 135 ILE MD 4.500 . 5.500 3.437 3.022 3.944 . 0 0 "[ . 1 . 2]" 1
775 1 133 HIS HB3 1 135 ILE MD 4.500 . 5.500 3.940 2.955 4.481 . 0 0 "[ . 1 . 2]" 1
776 1 133 HIS HD1 1 134 ILE H 4.500 . 5.500 4.247 2.648 4.822 . 0 0 "[ . 1 . 2]" 1
777 1 134 ILE HA 1 135 ILE MD 4.000 . 5.000 3.674 3.168 4.090 . 0 0 "[ . 1 . 2]" 1
778 1 134 ILE HB 1 135 ILE H 4.000 . 5.000 3.582 2.751 4.203 . 0 0 "[ . 1 . 2]" 1
779 1 135 ILE HA 1 136 LYS H 3.000 . 3.500 2.341 2.276 2.466 . 0 0 "[ . 1 . 2]" 1
780 1 135 ILE HB 1 136 LYS H 4.000 . 5.000 3.934 3.616 4.206 . 0 0 "[ . 1 . 2]" 1
781 1 136 LYS HA 1 137 ARG H 3.000 . 3.500 2.330 2.206 2.710 . 0 0 "[ . 1 . 2]" 1
782 1 136 LYS HG3 1 137 ARG H 4.000 . 5.000 3.912 2.441 5.045 0.045 10 0 "[ . 1 . 2]" 1
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